USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 6 LYS NZ :NH3+ -154:sc= -1.71 (180deg=-2.12!) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc=-0.00159 USER MOD Set 2.1: A 7 THR OG1 : rot -58:sc= -2.09 USER MOD Set 2.2: A 9 THR OG1 : rot -170:sc= -0.0775 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.0702 (180deg=-0.0369) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 30:sc= 0.653 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0347 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 25 ASN : amide:sc= -6.63! C(o=-6.6!,f=-15!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= -0.314 (180deg=-1.26!) USER MOD Single : A 31 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ -120:sc= 0.483 (180deg=-0.354) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= -2.05 K(o=-2.1,f=-0.79) USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= 0.395 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0249 USER MOD Single : A 60 ASN : amide:sc= -0.0344 K(o=-0.034,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= -0.253 (180deg=-1.29!) USER MOD Single : A 68 HIS : no HE2:sc= -5.22! C(o=-5.2!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.060 29.198 2.792 1.00 0.00 N ATOM 2 CA MET A 1 28.287 30.159 1.955 1.00 0.00 C ATOM 3 C MET A 1 27.873 31.360 2.807 1.00 0.00 C ATOM 4 O MET A 1 28.239 32.486 2.531 1.00 0.00 O ATOM 5 CB MET A 1 27.038 29.466 1.407 1.00 0.00 C ATOM 6 CG MET A 1 26.397 30.345 0.332 1.00 0.00 C ATOM 7 SD MET A 1 24.973 29.483 -0.382 1.00 0.00 S ATOM 8 CE MET A 1 24.512 30.759 -1.579 1.00 0.00 C ATOM 0 H1 MET A 1 29.108 28.278 2.309 1.00 0.00 H new ATOM 0 H2 MET A 1 30.023 29.562 2.939 1.00 0.00 H new ATOM 0 H3 MET A 1 28.589 29.082 3.712 1.00 0.00 H new ATOM 0 HA MET A 1 28.907 30.500 1.126 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.302 28.495 0.988 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.328 29.283 2.213 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.082 31.295 0.764 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.124 30.575 -0.447 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.638 30.431 -2.142 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.278 31.684 -1.053 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.342 30.931 -2.265 1.00 0.00 H new ATOM 20 N GLN A 2 27.113 31.131 3.844 1.00 0.00 N ATOM 21 CA GLN A 2 26.676 32.258 4.715 1.00 0.00 C ATOM 22 C GLN A 2 26.291 31.716 6.092 1.00 0.00 C ATOM 23 O GLN A 2 25.130 31.639 6.438 1.00 0.00 O ATOM 24 CB GLN A 2 25.467 32.952 4.084 1.00 0.00 C ATOM 25 CG GLN A 2 25.113 34.201 4.893 1.00 0.00 C ATOM 26 CD GLN A 2 23.946 34.930 4.223 1.00 0.00 C ATOM 27 OE1 GLN A 2 23.526 34.564 3.143 1.00 0.00 O ATOM 28 NE2 GLN A 2 23.403 35.955 4.823 1.00 0.00 N ATOM 0 H GLN A 2 26.776 30.210 4.125 1.00 0.00 H new ATOM 0 HA GLN A 2 27.491 32.974 4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.689 33.225 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 2 24.617 32.271 4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 2 24.845 33.923 5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 2 25.978 34.861 4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 2 23.756 36.261 5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 2 22.626 36.449 4.385 1.00 0.00 H new ATOM 37 N ILE A 3 27.260 31.336 6.881 1.00 0.00 N ATOM 38 CA ILE A 3 26.951 30.796 8.236 1.00 0.00 C ATOM 39 C ILE A 3 26.701 31.951 9.205 1.00 0.00 C ATOM 40 O ILE A 3 27.467 32.892 9.280 1.00 0.00 O ATOM 41 CB ILE A 3 28.130 29.959 8.734 1.00 0.00 C ATOM 42 CG1 ILE A 3 28.285 28.724 7.844 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.872 29.520 10.179 1.00 0.00 C ATOM 44 CD1 ILE A 3 29.598 28.018 8.176 1.00 0.00 C ATOM 0 H ILE A 3 28.252 31.376 6.646 1.00 0.00 H new ATOM 0 HA ILE A 3 26.059 30.171 8.180 1.00 0.00 H new ATOM 0 HB ILE A 3 29.043 30.554 8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.446 28.045 7.997 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.272 29.016 6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.713 28.923 10.534 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.759 30.400 10.812 1.00 0.00 H new ATOM 0 HG23 ILE A 3 26.961 28.924 10.221 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.708 27.138 7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.431 28.698 8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.593 27.713 9.222 1.00 0.00 H new ATOM 56 N PHE A 4 25.632 31.885 9.949 1.00 0.00 N ATOM 57 CA PHE A 4 25.324 32.976 10.920 1.00 0.00 C ATOM 58 C PHE A 4 26.060 32.703 12.232 1.00 0.00 C ATOM 59 O PHE A 4 26.353 31.572 12.564 1.00 0.00 O ATOM 60 CB PHE A 4 23.816 33.015 11.182 1.00 0.00 C ATOM 61 CG PHE A 4 23.105 33.498 9.941 1.00 0.00 C ATOM 62 CD1 PHE A 4 22.651 32.577 8.991 1.00 0.00 C ATOM 63 CD2 PHE A 4 22.898 34.869 9.741 1.00 0.00 C ATOM 64 CE1 PHE A 4 21.990 33.025 7.840 1.00 0.00 C ATOM 65 CE2 PHE A 4 22.237 35.317 8.592 1.00 0.00 C ATOM 66 CZ PHE A 4 21.783 34.395 7.641 1.00 0.00 C ATOM 0 H PHE A 4 24.956 31.121 9.927 1.00 0.00 H new ATOM 0 HA PHE A 4 25.646 33.933 10.510 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.458 32.023 11.457 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.598 33.677 12.020 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.810 31.520 9.145 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.249 35.580 10.474 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.640 32.314 7.106 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.077 36.374 8.439 1.00 0.00 H new ATOM 0 HZ PHE A 4 21.273 34.741 6.754 1.00 0.00 H new ATOM 76 N VAL A 5 26.360 33.731 12.985 1.00 0.00 N ATOM 77 CA VAL A 5 27.077 33.535 14.281 1.00 0.00 C ATOM 78 C VAL A 5 26.511 34.503 15.324 1.00 0.00 C ATOM 79 O VAL A 5 26.798 35.683 15.309 1.00 0.00 O ATOM 80 CB VAL A 5 28.567 33.813 14.083 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.330 33.445 15.354 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.091 32.976 12.915 1.00 0.00 C ATOM 0 H VAL A 5 26.138 34.700 12.757 1.00 0.00 H new ATOM 0 HA VAL A 5 26.941 32.509 14.624 1.00 0.00 H new ATOM 0 HB VAL A 5 28.712 34.872 13.867 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.392 33.644 15.211 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.958 34.041 16.187 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.185 32.387 15.572 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.153 33.174 12.773 1.00 0.00 H new ATOM 0 HG22 VAL A 5 28.945 31.918 13.131 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.549 33.239 12.007 1.00 0.00 H new ATOM 92 N LYS A 6 25.702 34.011 16.227 1.00 0.00 N ATOM 93 CA LYS A 6 25.107 34.900 17.273 1.00 0.00 C ATOM 94 C LYS A 6 25.979 34.867 18.532 1.00 0.00 C ATOM 95 O LYS A 6 26.259 33.820 19.080 1.00 0.00 O ATOM 96 CB LYS A 6 23.694 34.403 17.612 1.00 0.00 C ATOM 97 CG LYS A 6 22.888 35.517 18.308 1.00 0.00 C ATOM 98 CD LYS A 6 22.214 36.416 17.262 1.00 0.00 C ATOM 99 CE LYS A 6 21.341 37.457 17.966 1.00 0.00 C ATOM 100 NZ LYS A 6 22.207 38.522 18.542 1.00 0.00 N ATOM 0 H LYS A 6 25.427 33.031 16.286 1.00 0.00 H new ATOM 0 HA LYS A 6 25.056 35.923 16.899 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.183 34.090 16.702 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.754 33.529 18.260 1.00 0.00 H new ATOM 0 HG2 LYS A 6 22.134 35.077 18.960 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.547 36.113 18.940 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.970 36.912 16.653 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.606 35.813 16.587 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.633 37.891 17.260 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.756 36.983 18.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.725 38.961 19.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.106 38.105 18.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.396 39.245 17.819 1.00 0.00 H new ATOM 114 N THR A 7 26.410 36.010 18.997 1.00 0.00 N ATOM 115 CA THR A 7 27.262 36.049 20.223 1.00 0.00 C ATOM 116 C THR A 7 26.369 36.159 21.462 1.00 0.00 C ATOM 117 O THR A 7 25.187 36.421 21.366 1.00 0.00 O ATOM 118 CB THR A 7 28.188 37.266 20.159 1.00 0.00 C ATOM 119 OG1 THR A 7 27.403 38.448 20.104 1.00 0.00 O ATOM 120 CG2 THR A 7 29.073 37.176 18.913 1.00 0.00 C ATOM 0 H THR A 7 26.209 36.919 18.581 1.00 0.00 H new ATOM 0 HA THR A 7 27.857 35.137 20.281 1.00 0.00 H new ATOM 0 HB THR A 7 28.822 37.290 21.045 1.00 0.00 H new ATOM 0 HG1 THR A 7 26.811 38.412 19.324 1.00 0.00 H new ATOM 0 HG21 THR A 7 29.731 38.044 18.871 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.673 36.267 18.958 1.00 0.00 H new ATOM 0 HG23 THR A 7 28.446 37.152 18.022 1.00 0.00 H new ATOM 128 N LEU A 8 26.929 35.963 22.625 1.00 0.00 N ATOM 129 CA LEU A 8 26.116 36.058 23.871 1.00 0.00 C ATOM 130 C LEU A 8 25.715 37.517 24.106 1.00 0.00 C ATOM 131 O LEU A 8 24.654 37.803 24.625 1.00 0.00 O ATOM 132 CB LEU A 8 26.945 35.546 25.056 1.00 0.00 C ATOM 133 CG LEU A 8 26.149 35.667 26.366 1.00 0.00 C ATOM 134 CD1 LEU A 8 24.837 34.871 26.269 1.00 0.00 C ATOM 135 CD2 LEU A 8 27.000 35.118 27.516 1.00 0.00 C ATOM 0 H LEU A 8 27.915 35.741 22.766 1.00 0.00 H new ATOM 0 HA LEU A 8 25.216 35.451 23.773 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.224 34.506 24.889 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.871 36.116 25.133 1.00 0.00 H new ATOM 0 HG LEU A 8 25.908 36.715 26.547 1.00 0.00 H new ATOM 0 HD11 LEU A 8 24.284 34.966 27.203 1.00 0.00 H new ATOM 0 HD12 LEU A 8 24.234 35.262 25.449 1.00 0.00 H new ATOM 0 HD13 LEU A 8 25.062 33.820 26.085 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.445 35.199 28.450 1.00 0.00 H new ATOM 0 HD22 LEU A 8 27.238 34.072 27.325 1.00 0.00 H new ATOM 0 HD23 LEU A 8 27.923 35.692 27.592 1.00 0.00 H new ATOM 147 N THR A 9 26.558 38.441 23.735 1.00 0.00 N ATOM 148 CA THR A 9 26.228 39.880 23.945 1.00 0.00 C ATOM 149 C THR A 9 25.256 40.348 22.859 1.00 0.00 C ATOM 150 O THR A 9 24.854 41.494 22.824 1.00 0.00 O ATOM 151 CB THR A 9 27.509 40.714 23.873 1.00 0.00 C ATOM 152 OG1 THR A 9 28.108 40.548 22.595 1.00 0.00 O ATOM 153 CG2 THR A 9 28.482 40.251 24.958 1.00 0.00 C ATOM 0 H THR A 9 27.461 38.262 23.296 1.00 0.00 H new ATOM 0 HA THR A 9 25.766 40.005 24.924 1.00 0.00 H new ATOM 0 HB THR A 9 27.268 41.766 24.029 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.002 40.949 22.598 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.394 40.845 24.906 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.021 40.378 25.938 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.725 39.200 24.804 1.00 0.00 H new ATOM 161 N GLY A 10 24.873 39.468 21.971 1.00 0.00 N ATOM 162 CA GLY A 10 23.922 39.855 20.885 1.00 0.00 C ATOM 163 C GLY A 10 24.709 40.285 19.645 1.00 0.00 C ATOM 164 O GLY A 10 24.185 40.324 18.550 1.00 0.00 O ATOM 0 H GLY A 10 25.178 38.495 21.951 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.270 39.016 20.642 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.281 40.669 21.222 1.00 0.00 H new ATOM 168 N LYS A 11 25.963 40.604 19.806 1.00 0.00 N ATOM 169 CA LYS A 11 26.775 41.026 18.631 1.00 0.00 C ATOM 170 C LYS A 11 26.732 39.921 17.576 1.00 0.00 C ATOM 171 O LYS A 11 27.250 38.839 17.773 1.00 0.00 O ATOM 172 CB LYS A 11 28.223 41.270 19.064 1.00 0.00 C ATOM 173 CG LYS A 11 28.276 42.469 20.014 1.00 0.00 C ATOM 174 CD LYS A 11 29.723 42.714 20.447 1.00 0.00 C ATOM 175 CE LYS A 11 29.776 43.916 21.393 1.00 0.00 C ATOM 176 NZ LYS A 11 31.184 44.148 21.821 1.00 0.00 N ATOM 0 H LYS A 11 26.459 40.591 20.697 1.00 0.00 H new ATOM 0 HA LYS A 11 26.369 41.948 18.215 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.621 40.383 19.558 1.00 0.00 H new ATOM 0 HB3 LYS A 11 28.849 41.456 18.191 1.00 0.00 H new ATOM 0 HG2 LYS A 11 27.878 43.355 19.520 1.00 0.00 H new ATOM 0 HG3 LYS A 11 27.651 42.283 20.887 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.120 41.829 20.944 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.349 42.897 19.574 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.385 44.803 20.894 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.145 43.736 22.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.221 44.965 22.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.541 43.304 22.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.774 44.338 20.986 1.00 0.00 H new ATOM 190 N THR A 12 26.108 40.176 16.456 1.00 0.00 N ATOM 191 CA THR A 12 26.018 39.136 15.388 1.00 0.00 C ATOM 192 C THR A 12 27.180 39.298 14.407 1.00 0.00 C ATOM 193 O THR A 12 27.701 40.378 14.216 1.00 0.00 O ATOM 194 CB THR A 12 24.696 39.295 14.633 1.00 0.00 C ATOM 195 OG1 THR A 12 23.613 39.126 15.537 1.00 0.00 O ATOM 196 CG2 THR A 12 24.608 38.242 13.527 1.00 0.00 C ATOM 0 H THR A 12 25.655 41.063 16.234 1.00 0.00 H new ATOM 0 HA THR A 12 26.066 38.148 15.846 1.00 0.00 H new ATOM 0 HB THR A 12 24.648 40.289 14.189 1.00 0.00 H new ATOM 0 HG1 THR A 12 22.766 39.229 15.055 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.666 38.356 12.990 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.439 38.372 12.834 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.656 37.246 13.968 1.00 0.00 H new ATOM 204 N ILE A 13 27.576 38.227 13.773 1.00 0.00 N ATOM 205 CA ILE A 13 28.693 38.296 12.783 1.00 0.00 C ATOM 206 C ILE A 13 28.377 37.348 11.625 1.00 0.00 C ATOM 207 O ILE A 13 27.886 36.253 11.831 1.00 0.00 O ATOM 208 CB ILE A 13 30.006 37.872 13.450 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.198 38.658 14.750 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.174 38.160 12.506 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.542 38.285 15.377 1.00 0.00 C ATOM 0 H ILE A 13 27.171 37.299 13.899 1.00 0.00 H new ATOM 0 HA ILE A 13 28.798 39.316 12.414 1.00 0.00 H new ATOM 0 HB ILE A 13 29.971 36.805 13.672 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.163 39.729 14.549 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.387 38.437 15.444 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.108 37.859 12.980 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.040 37.601 11.580 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.208 39.227 12.284 1.00 0.00 H new ATOM 0 HD11 ILE A 13 31.679 38.844 16.302 1.00 0.00 H new ATOM 0 HD12 ILE A 13 31.559 37.217 15.593 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.347 38.528 14.683 1.00 0.00 H new ATOM 223 N THR A 14 28.647 37.755 10.411 1.00 0.00 N ATOM 224 CA THR A 14 28.363 36.880 9.228 1.00 0.00 C ATOM 225 C THR A 14 29.679 36.344 8.667 1.00 0.00 C ATOM 226 O THR A 14 30.572 37.099 8.334 1.00 0.00 O ATOM 227 CB THR A 14 27.653 37.705 8.152 1.00 0.00 C ATOM 228 OG1 THR A 14 28.476 38.802 7.778 1.00 0.00 O ATOM 229 CG2 THR A 14 26.323 38.225 8.698 1.00 0.00 C ATOM 0 H THR A 14 29.055 38.662 10.185 1.00 0.00 H new ATOM 0 HA THR A 14 27.729 36.047 9.531 1.00 0.00 H new ATOM 0 HB THR A 14 27.464 37.079 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.418 38.557 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 14 25.819 38.812 7.930 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.692 37.383 8.983 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.508 38.851 9.571 1.00 0.00 H new ATOM 237 N LEU A 15 29.805 35.044 8.557 1.00 0.00 N ATOM 238 CA LEU A 15 31.060 34.433 8.017 1.00 0.00 C ATOM 239 C LEU A 15 30.717 33.590 6.781 1.00 0.00 C ATOM 240 O LEU A 15 30.037 32.587 6.875 1.00 0.00 O ATOM 241 CB LEU A 15 31.677 33.531 9.105 1.00 0.00 C ATOM 242 CG LEU A 15 33.201 33.405 8.899 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.915 34.586 9.569 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.704 32.095 9.522 1.00 0.00 C ATOM 0 H LEU A 15 29.084 34.373 8.821 1.00 0.00 H new ATOM 0 HA LEU A 15 31.770 35.211 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.470 33.947 10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.216 32.544 9.072 1.00 0.00 H new ATOM 0 HG LEU A 15 33.414 33.407 7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.991 34.492 9.421 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.568 35.520 9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.695 34.586 10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.781 32.011 9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.484 32.092 10.589 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.205 31.251 9.046 1.00 0.00 H new ATOM 256 N GLU A 16 31.189 33.987 5.627 1.00 0.00 N ATOM 257 CA GLU A 16 30.899 33.213 4.381 1.00 0.00 C ATOM 258 C GLU A 16 32.106 32.328 4.052 1.00 0.00 C ATOM 259 O GLU A 16 33.174 32.811 3.734 1.00 0.00 O ATOM 260 CB GLU A 16 30.637 34.189 3.226 1.00 0.00 C ATOM 261 CG GLU A 16 31.567 35.398 3.352 1.00 0.00 C ATOM 262 CD GLU A 16 31.409 36.295 2.123 1.00 0.00 C ATOM 263 OE1 GLU A 16 31.777 35.859 1.045 1.00 0.00 O ATOM 264 OE2 GLU A 16 30.920 37.402 2.281 1.00 0.00 O ATOM 0 H GLU A 16 31.765 34.818 5.493 1.00 0.00 H new ATOM 0 HA GLU A 16 30.018 32.587 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 16 30.801 33.690 2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.597 34.515 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.331 35.958 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.601 35.066 3.443 1.00 0.00 H new ATOM 271 N VAL A 17 31.946 31.035 4.132 1.00 0.00 N ATOM 272 CA VAL A 17 33.087 30.125 3.830 1.00 0.00 C ATOM 273 C VAL A 17 32.548 28.740 3.460 1.00 0.00 C ATOM 274 O VAL A 17 31.525 28.306 3.951 1.00 0.00 O ATOM 275 CB VAL A 17 33.989 30.028 5.067 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.126 29.829 6.315 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.955 28.847 4.927 1.00 0.00 C ATOM 0 H VAL A 17 31.076 30.570 4.393 1.00 0.00 H new ATOM 0 HA VAL A 17 33.665 30.515 2.992 1.00 0.00 H new ATOM 0 HB VAL A 17 34.563 30.950 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.767 29.760 7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.447 30.675 6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.548 28.910 6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.590 28.789 5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.387 27.922 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.577 28.988 4.043 1.00 0.00 H new ATOM 287 N GLU A 18 33.234 28.047 2.593 1.00 0.00 N ATOM 288 CA GLU A 18 32.770 26.691 2.183 1.00 0.00 C ATOM 289 C GLU A 18 32.438 25.869 3.437 1.00 0.00 C ATOM 290 O GLU A 18 33.018 26.079 4.484 1.00 0.00 O ATOM 291 CB GLU A 18 33.881 25.995 1.392 1.00 0.00 C ATOM 292 CG GLU A 18 33.966 26.599 -0.012 1.00 0.00 C ATOM 293 CD GLU A 18 35.109 25.938 -0.783 1.00 0.00 C ATOM 294 OE1 GLU A 18 35.796 25.118 -0.199 1.00 0.00 O ATOM 295 OE2 GLU A 18 35.276 26.262 -1.947 1.00 0.00 O ATOM 0 H GLU A 18 34.097 28.362 2.150 1.00 0.00 H new ATOM 0 HA GLU A 18 31.880 26.778 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.835 26.110 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.680 24.926 1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.024 26.452 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.131 27.675 0.053 1.00 0.00 H new ATOM 302 N PRO A 19 31.511 24.941 3.343 1.00 0.00 N ATOM 303 CA PRO A 19 31.111 24.093 4.505 1.00 0.00 C ATOM 304 C PRO A 19 32.165 23.029 4.849 1.00 0.00 C ATOM 305 O PRO A 19 32.239 22.562 5.964 1.00 0.00 O ATOM 306 CB PRO A 19 29.809 23.434 4.031 1.00 0.00 C ATOM 307 CG PRO A 19 29.957 23.347 2.547 1.00 0.00 C ATOM 308 CD PRO A 19 30.740 24.595 2.131 1.00 0.00 C ATOM 0 HA PRO A 19 31.000 24.679 5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.678 22.448 4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.938 24.028 4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.487 22.439 2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.983 23.316 2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.395 24.393 1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.074 25.406 1.834 1.00 0.00 H new ATOM 316 N SER A 20 32.972 22.636 3.906 1.00 0.00 N ATOM 317 CA SER A 20 33.995 21.593 4.206 1.00 0.00 C ATOM 318 C SER A 20 35.138 22.201 5.021 1.00 0.00 C ATOM 319 O SER A 20 36.091 21.530 5.366 1.00 0.00 O ATOM 320 CB SER A 20 34.533 21.014 2.897 1.00 0.00 C ATOM 321 OG SER A 20 34.745 22.070 1.969 1.00 0.00 O ATOM 0 H SER A 20 32.970 22.987 2.948 1.00 0.00 H new ATOM 0 HA SER A 20 33.536 20.795 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.466 20.481 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.827 20.291 2.488 1.00 0.00 H new ATOM 0 HG SER A 20 35.092 21.703 1.129 1.00 0.00 H new ATOM 327 N ASP A 21 35.050 23.461 5.343 1.00 0.00 N ATOM 328 CA ASP A 21 36.124 24.094 6.147 1.00 0.00 C ATOM 329 C ASP A 21 36.185 23.377 7.503 1.00 0.00 C ATOM 330 O ASP A 21 35.211 22.806 7.953 1.00 0.00 O ATOM 331 CB ASP A 21 35.803 25.592 6.322 1.00 0.00 C ATOM 332 CG ASP A 21 36.639 26.430 5.342 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.726 26.832 5.718 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.180 26.639 4.231 1.00 0.00 O ATOM 0 H ASP A 21 34.280 24.077 5.083 1.00 0.00 H new ATOM 0 HA ASP A 21 37.092 24.010 5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.741 25.767 6.148 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.013 25.900 7.346 1.00 0.00 H new ATOM 339 N THR A 22 37.319 23.384 8.153 1.00 0.00 N ATOM 340 CA THR A 22 37.429 22.680 9.465 1.00 0.00 C ATOM 341 C THR A 22 36.912 23.569 10.595 1.00 0.00 C ATOM 342 O THR A 22 36.596 24.727 10.404 1.00 0.00 O ATOM 343 CB THR A 22 38.895 22.332 9.728 1.00 0.00 C ATOM 344 OG1 THR A 22 39.669 23.523 9.734 1.00 0.00 O ATOM 345 CG2 THR A 22 39.403 21.395 8.632 1.00 0.00 C ATOM 0 H THR A 22 38.171 23.845 7.834 1.00 0.00 H new ATOM 0 HA THR A 22 36.828 21.771 9.429 1.00 0.00 H new ATOM 0 HB THR A 22 38.984 21.837 10.695 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.608 23.302 9.904 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.448 21.148 8.820 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.808 20.481 8.630 1.00 0.00 H new ATOM 0 HG23 THR A 22 39.316 21.887 7.663 1.00 0.00 H new ATOM 353 N ILE A 23 36.835 23.027 11.780 1.00 0.00 N ATOM 354 CA ILE A 23 36.352 23.820 12.942 1.00 0.00 C ATOM 355 C ILE A 23 37.412 24.851 13.332 1.00 0.00 C ATOM 356 O ILE A 23 37.127 26.021 13.492 1.00 0.00 O ATOM 357 CB ILE A 23 36.102 22.881 14.113 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.968 21.931 13.744 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.713 23.696 15.348 1.00 0.00 C ATOM 360 CD1 ILE A 23 34.874 20.832 14.793 1.00 0.00 C ATOM 0 H ILE A 23 37.088 22.062 11.992 1.00 0.00 H new ATOM 0 HA ILE A 23 35.428 24.335 12.679 1.00 0.00 H new ATOM 0 HB ILE A 23 37.004 22.311 14.334 1.00 0.00 H new ATOM 0 HG12 ILE A 23 34.026 22.476 13.685 1.00 0.00 H new ATOM 0 HG13 ILE A 23 35.147 21.497 12.760 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.534 23.023 16.187 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.521 24.383 15.600 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.806 24.264 15.139 1.00 0.00 H new ATOM 0 HD11 ILE A 23 34.064 20.150 14.534 1.00 0.00 H new ATOM 0 HD12 ILE A 23 35.814 20.282 14.829 1.00 0.00 H new ATOM 0 HD13 ILE A 23 34.676 21.276 15.768 1.00 0.00 H new ATOM 372 N GLU A 24 38.635 24.421 13.485 1.00 0.00 N ATOM 373 CA GLU A 24 39.718 25.368 13.861 1.00 0.00 C ATOM 374 C GLU A 24 39.796 26.477 12.814 1.00 0.00 C ATOM 375 O GLU A 24 40.224 27.580 13.089 1.00 0.00 O ATOM 376 CB GLU A 24 41.054 24.624 13.917 1.00 0.00 C ATOM 377 CG GLU A 24 40.877 23.304 14.669 1.00 0.00 C ATOM 378 CD GLU A 24 40.262 23.574 16.043 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.045 23.569 16.138 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.018 23.785 16.978 1.00 0.00 O ATOM 0 H GLU A 24 38.929 23.452 13.365 1.00 0.00 H new ATOM 0 HA GLU A 24 39.506 25.799 14.840 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.417 24.433 12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.804 25.239 14.414 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.236 22.632 14.098 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.840 22.806 14.782 1.00 0.00 H new ATOM 387 N ASN A 25 39.370 26.193 11.615 1.00 0.00 N ATOM 388 CA ASN A 25 39.404 27.231 10.550 1.00 0.00 C ATOM 389 C ASN A 25 38.402 28.324 10.914 1.00 0.00 C ATOM 390 O ASN A 25 38.668 29.500 10.777 1.00 0.00 O ATOM 391 CB ASN A 25 39.020 26.597 9.210 1.00 0.00 C ATOM 392 CG ASN A 25 39.135 27.642 8.099 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.141 28.159 7.635 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.315 27.972 7.651 1.00 0.00 N ATOM 0 H ASN A 25 39.000 25.287 11.327 1.00 0.00 H new ATOM 0 HA ASN A 25 40.404 27.657 10.465 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.672 25.750 8.996 1.00 0.00 H new ATOM 0 HB3 ASN A 25 38.002 26.211 9.257 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.403 28.666 6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.150 27.536 8.043 1.00 0.00 H new ATOM 401 N VAL A 26 37.253 27.935 11.395 1.00 0.00 N ATOM 402 CA VAL A 26 36.231 28.942 11.791 1.00 0.00 C ATOM 403 C VAL A 26 36.734 29.689 13.024 1.00 0.00 C ATOM 404 O VAL A 26 36.929 30.888 13.005 1.00 0.00 O ATOM 405 CB VAL A 26 34.928 28.222 12.135 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.837 29.250 12.426 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.505 27.347 10.954 1.00 0.00 C ATOM 0 H VAL A 26 36.979 26.962 11.531 1.00 0.00 H new ATOM 0 HA VAL A 26 36.057 29.643 10.975 1.00 0.00 H new ATOM 0 HB VAL A 26 35.079 27.597 13.015 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.908 28.735 12.671 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.139 29.873 13.267 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.684 29.876 11.547 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.575 26.832 11.197 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.354 27.972 10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.283 26.612 10.748 1.00 0.00 H new ATOM 417 N LYS A 27 36.951 28.979 14.098 1.00 0.00 N ATOM 418 CA LYS A 27 37.447 29.623 15.344 1.00 0.00 C ATOM 419 C LYS A 27 38.593 30.583 15.009 1.00 0.00 C ATOM 420 O LYS A 27 38.669 31.678 15.525 1.00 0.00 O ATOM 421 CB LYS A 27 37.956 28.537 16.293 1.00 0.00 C ATOM 422 CG LYS A 27 36.797 27.622 16.691 1.00 0.00 C ATOM 423 CD LYS A 27 37.303 26.559 17.672 1.00 0.00 C ATOM 424 CE LYS A 27 36.124 25.727 18.183 1.00 0.00 C ATOM 425 NZ LYS A 27 36.635 24.482 18.821 1.00 0.00 N ATOM 0 H LYS A 27 36.804 27.972 14.164 1.00 0.00 H new ATOM 0 HA LYS A 27 36.638 30.182 15.815 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.742 27.957 15.810 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.395 28.992 17.181 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.999 28.206 17.150 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.375 27.145 15.806 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.031 25.913 17.180 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.814 27.036 18.508 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.542 26.304 18.902 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.456 25.478 17.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.835 23.916 19.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 37.172 23.929 18.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 37.255 24.730 19.618 1.00 0.00 H new ATOM 439 N ALA A 28 39.485 30.177 14.145 1.00 0.00 N ATOM 440 CA ALA A 28 40.624 31.066 13.778 1.00 0.00 C ATOM 441 C ALA A 28 40.101 32.265 12.985 1.00 0.00 C ATOM 442 O ALA A 28 40.307 33.402 13.356 1.00 0.00 O ATOM 443 CB ALA A 28 41.619 30.279 12.921 1.00 0.00 C ATOM 0 H ALA A 28 39.474 29.270 13.679 1.00 0.00 H new ATOM 0 HA ALA A 28 41.119 31.421 14.682 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.455 30.924 12.649 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.989 29.424 13.486 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.122 29.928 12.016 1.00 0.00 H new ATOM 449 N LYS A 29 39.435 32.022 11.888 1.00 0.00 N ATOM 450 CA LYS A 29 38.910 33.150 11.068 1.00 0.00 C ATOM 451 C LYS A 29 38.240 34.188 11.977 1.00 0.00 C ATOM 452 O LYS A 29 38.349 35.376 11.756 1.00 0.00 O ATOM 453 CB LYS A 29 37.897 32.608 10.051 1.00 0.00 C ATOM 454 CG LYS A 29 38.645 32.042 8.833 1.00 0.00 C ATOM 455 CD LYS A 29 37.750 31.047 8.099 1.00 0.00 C ATOM 456 CE LYS A 29 38.414 30.636 6.784 1.00 0.00 C ATOM 457 NZ LYS A 29 38.718 31.855 5.979 1.00 0.00 N ATOM 0 H LYS A 29 39.232 31.091 11.525 1.00 0.00 H new ATOM 0 HA LYS A 29 39.733 33.629 10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.286 31.830 10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.219 33.402 9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.933 32.851 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.564 31.552 9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.578 30.169 8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.776 31.495 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.331 30.082 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.756 29.972 6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.728 31.610 4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.990 32.577 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.649 32.229 6.254 1.00 0.00 H new ATOM 471 N ILE A 30 37.570 33.760 13.010 1.00 0.00 N ATOM 472 CA ILE A 30 36.924 34.733 13.925 1.00 0.00 C ATOM 473 C ILE A 30 38.001 35.379 14.800 1.00 0.00 C ATOM 474 O ILE A 30 38.010 36.572 15.017 1.00 0.00 O ATOM 475 CB ILE A 30 35.916 33.992 14.804 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.783 33.452 13.928 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.340 34.954 15.844 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.909 32.502 14.749 1.00 0.00 C ATOM 0 H ILE A 30 37.443 32.779 13.258 1.00 0.00 H new ATOM 0 HA ILE A 30 36.408 35.506 13.355 1.00 0.00 H new ATOM 0 HB ILE A 30 36.413 33.165 15.312 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.181 34.276 13.545 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.195 32.929 13.065 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.621 34.425 16.470 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.146 35.343 16.466 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.841 35.781 15.338 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.103 32.118 14.124 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.515 31.671 15.111 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.486 33.039 15.598 1.00 0.00 H new ATOM 490 N GLN A 31 38.911 34.587 15.301 1.00 0.00 N ATOM 491 CA GLN A 31 39.991 35.132 16.162 1.00 0.00 C ATOM 492 C GLN A 31 40.619 36.352 15.486 1.00 0.00 C ATOM 493 O GLN A 31 40.798 37.387 16.094 1.00 0.00 O ATOM 494 CB GLN A 31 41.056 34.049 16.357 1.00 0.00 C ATOM 495 CG GLN A 31 42.230 34.617 17.151 1.00 0.00 C ATOM 496 CD GLN A 31 43.197 33.487 17.513 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.293 32.504 16.808 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.922 33.589 18.593 1.00 0.00 N ATOM 0 H GLN A 31 38.949 33.579 15.147 1.00 0.00 H new ATOM 0 HA GLN A 31 39.582 35.431 17.127 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.628 33.195 16.883 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.401 33.687 15.389 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.746 35.377 16.564 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.868 35.104 18.056 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.841 34.415 19.185 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.570 32.842 18.845 1.00 0.00 H new ATOM 507 N ASP A 32 40.965 36.235 14.236 1.00 0.00 N ATOM 508 CA ASP A 32 41.595 37.386 13.523 1.00 0.00 C ATOM 509 C ASP A 32 40.599 38.545 13.394 1.00 0.00 C ATOM 510 O ASP A 32 40.984 39.696 13.351 1.00 0.00 O ATOM 511 CB ASP A 32 42.034 36.937 12.129 1.00 0.00 C ATOM 512 CG ASP A 32 42.871 38.039 11.478 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.933 38.339 12.003 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.439 38.567 10.466 1.00 0.00 O ATOM 0 H ASP A 32 40.840 35.393 13.674 1.00 0.00 H new ATOM 0 HA ASP A 32 42.459 37.726 14.094 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.615 36.017 12.198 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.161 36.718 11.514 1.00 0.00 H new ATOM 519 N LYS A 33 39.326 38.258 13.325 1.00 0.00 N ATOM 520 CA LYS A 33 38.327 39.354 13.192 1.00 0.00 C ATOM 521 C LYS A 33 38.042 40.000 14.554 1.00 0.00 C ATOM 522 O LYS A 33 37.971 41.207 14.670 1.00 0.00 O ATOM 523 CB LYS A 33 37.042 38.776 12.623 1.00 0.00 C ATOM 524 CG LYS A 33 37.309 38.299 11.199 1.00 0.00 C ATOM 525 CD LYS A 33 36.075 37.575 10.663 1.00 0.00 C ATOM 526 CE LYS A 33 36.265 37.274 9.175 1.00 0.00 C ATOM 527 NZ LYS A 33 37.302 36.218 9.010 1.00 0.00 N ATOM 0 H LYS A 33 38.938 37.315 13.355 1.00 0.00 H new ATOM 0 HA LYS A 33 38.725 40.121 12.527 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.695 37.947 13.240 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.254 39.529 12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.552 39.148 10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.171 37.631 11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.916 36.649 11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.187 38.190 10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 33 35.323 36.945 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.564 38.178 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.089 36.590 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.656 35.930 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 36.886 35.395 8.529 1.00 0.00 H new ATOM 541 N GLU A 34 37.867 39.212 15.586 1.00 0.00 N ATOM 542 CA GLU A 34 37.576 39.796 16.931 1.00 0.00 C ATOM 543 C GLU A 34 38.882 40.003 17.699 1.00 0.00 C ATOM 544 O GLU A 34 39.005 40.917 18.491 1.00 0.00 O ATOM 545 CB GLU A 34 36.671 38.843 17.716 1.00 0.00 C ATOM 546 CG GLU A 34 35.478 38.443 16.846 1.00 0.00 C ATOM 547 CD GLU A 34 34.586 37.468 17.617 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.126 36.592 18.270 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.378 37.616 17.540 1.00 0.00 O ATOM 0 H GLU A 34 37.913 38.193 15.555 1.00 0.00 H new ATOM 0 HA GLU A 34 37.076 40.756 16.805 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.230 37.957 18.015 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.323 39.324 18.630 1.00 0.00 H new ATOM 0 HG2 GLU A 34 34.908 39.328 16.564 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.827 37.980 15.923 1.00 0.00 H new ATOM 556 N GLY A 35 39.856 39.163 17.483 1.00 0.00 N ATOM 557 CA GLY A 35 41.151 39.310 18.211 1.00 0.00 C ATOM 558 C GLY A 35 41.058 38.580 19.549 1.00 0.00 C ATOM 559 O GLY A 35 41.890 38.739 20.421 1.00 0.00 O ATOM 0 H GLY A 35 39.812 38.379 16.832 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.966 38.900 17.615 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.374 40.365 18.373 1.00 0.00 H new ATOM 563 N ILE A 36 40.041 37.781 19.713 1.00 0.00 N ATOM 564 CA ILE A 36 39.853 37.026 20.976 1.00 0.00 C ATOM 565 C ILE A 36 40.489 35.632 20.829 1.00 0.00 C ATOM 566 O ILE A 36 40.310 34.986 19.816 1.00 0.00 O ATOM 567 CB ILE A 36 38.357 36.884 21.207 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.724 38.276 21.171 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.107 36.243 22.567 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.222 38.148 21.376 1.00 0.00 C ATOM 0 H ILE A 36 39.320 37.619 19.010 1.00 0.00 H new ATOM 0 HA ILE A 36 40.321 37.543 21.814 1.00 0.00 H new ATOM 0 HB ILE A 36 37.918 36.254 20.433 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.157 38.906 21.948 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.933 38.759 20.216 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.034 36.142 22.730 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.572 35.258 22.596 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.536 36.870 23.349 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.766 39.138 21.351 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.798 37.533 20.583 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.025 37.682 22.341 1.00 0.00 H new ATOM 582 N PRO A 37 41.224 35.153 21.813 1.00 0.00 N ATOM 583 CA PRO A 37 41.866 33.806 21.726 1.00 0.00 C ATOM 584 C PRO A 37 40.830 32.666 21.876 1.00 0.00 C ATOM 585 O PRO A 37 40.150 32.586 22.881 1.00 0.00 O ATOM 586 CB PRO A 37 42.851 33.805 22.907 1.00 0.00 C ATOM 587 CG PRO A 37 42.251 34.739 23.905 1.00 0.00 C ATOM 588 CD PRO A 37 41.528 35.819 23.096 1.00 0.00 C ATOM 0 HA PRO A 37 42.345 33.635 20.762 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.969 32.804 23.323 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.841 34.140 22.597 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.557 34.214 24.562 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.021 35.178 24.540 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.620 36.154 23.598 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.156 36.698 22.952 1.00 0.00 H new ATOM 596 N PRO A 38 40.700 31.789 20.898 1.00 0.00 N ATOM 597 CA PRO A 38 39.728 30.656 20.956 1.00 0.00 C ATOM 598 C PRO A 38 39.638 29.996 22.335 1.00 0.00 C ATOM 599 O PRO A 38 38.626 29.429 22.694 1.00 0.00 O ATOM 600 CB PRO A 38 40.281 29.681 19.931 1.00 0.00 C ATOM 601 CG PRO A 38 40.839 30.568 18.880 1.00 0.00 C ATOM 602 CD PRO A 38 41.443 31.766 19.622 1.00 0.00 C ATOM 0 HA PRO A 38 38.710 30.991 20.757 1.00 0.00 H new ATOM 0 HB2 PRO A 38 41.047 29.037 20.362 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.502 29.029 19.535 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.597 30.049 18.292 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.062 30.889 18.186 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.514 31.641 19.783 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.311 32.693 19.063 1.00 0.00 H new ATOM 610 N ASP A 39 40.685 30.050 23.109 1.00 0.00 N ATOM 611 CA ASP A 39 40.643 29.410 24.453 1.00 0.00 C ATOM 612 C ASP A 39 39.527 30.033 25.291 1.00 0.00 C ATOM 613 O ASP A 39 38.791 29.349 25.975 1.00 0.00 O ATOM 614 CB ASP A 39 41.985 29.618 25.157 1.00 0.00 C ATOM 615 CG ASP A 39 43.065 28.794 24.452 1.00 0.00 C ATOM 616 OD1 ASP A 39 43.682 29.318 23.541 1.00 0.00 O ATOM 617 OD2 ASP A 39 43.256 27.652 24.837 1.00 0.00 O ATOM 0 H ASP A 39 41.565 30.508 22.871 1.00 0.00 H new ATOM 0 HA ASP A 39 40.451 28.343 24.337 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.254 30.674 25.146 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.909 29.319 26.203 1.00 0.00 H new ATOM 622 N GLN A 40 39.411 31.327 25.257 1.00 0.00 N ATOM 623 CA GLN A 40 38.365 32.012 26.062 1.00 0.00 C ATOM 624 C GLN A 40 36.992 31.889 25.391 1.00 0.00 C ATOM 625 O GLN A 40 35.997 32.335 25.933 1.00 0.00 O ATOM 626 CB GLN A 40 38.734 33.489 26.190 1.00 0.00 C ATOM 627 CG GLN A 40 40.039 33.611 26.979 1.00 0.00 C ATOM 628 CD GLN A 40 40.410 35.088 27.129 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.770 35.949 26.558 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.424 35.420 27.881 1.00 0.00 N ATOM 0 H GLN A 40 40.001 31.946 24.701 1.00 0.00 H new ATOM 0 HA GLN A 40 38.311 31.544 27.045 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.848 33.935 25.202 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.936 34.034 26.695 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.927 33.152 27.961 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.838 33.075 26.466 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.961 34.698 28.360 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.679 36.402 27.989 1.00 0.00 H new ATOM 639 N GLN A 41 36.920 31.300 24.219 1.00 0.00 N ATOM 640 CA GLN A 41 35.599 31.166 23.518 1.00 0.00 C ATOM 641 C GLN A 41 35.422 29.741 22.984 1.00 0.00 C ATOM 642 O GLN A 41 36.317 29.162 22.404 1.00 0.00 O ATOM 643 CB GLN A 41 35.546 32.145 22.345 1.00 0.00 C ATOM 644 CG GLN A 41 35.531 33.582 22.872 1.00 0.00 C ATOM 645 CD GLN A 41 35.156 34.534 21.733 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.043 35.016 21.670 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.048 34.826 20.825 1.00 0.00 N ATOM 0 H GLN A 41 37.717 30.907 23.718 1.00 0.00 H new ATOM 0 HA GLN A 41 34.801 31.385 24.228 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.408 31.995 21.695 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.656 31.959 21.743 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.816 33.675 23.689 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.510 33.845 23.274 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.982 34.421 20.879 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.810 35.460 20.062 1.00 0.00 H new ATOM 656 N ARG A 42 34.248 29.188 23.158 1.00 0.00 N ATOM 657 CA ARG A 42 33.953 27.816 22.652 1.00 0.00 C ATOM 658 C ARG A 42 32.623 27.878 21.915 1.00 0.00 C ATOM 659 O ARG A 42 31.703 28.543 22.347 1.00 0.00 O ATOM 660 CB ARG A 42 33.852 26.840 23.826 1.00 0.00 C ATOM 661 CG ARG A 42 35.138 26.907 24.658 1.00 0.00 C ATOM 662 CD ARG A 42 35.236 25.671 25.554 1.00 0.00 C ATOM 663 NE ARG A 42 34.066 25.636 26.478 1.00 0.00 N ATOM 664 CZ ARG A 42 34.067 26.368 27.559 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.045 26.338 28.368 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.091 27.131 27.828 1.00 0.00 N ATOM 0 H ARG A 42 33.469 29.639 23.638 1.00 0.00 H new ATOM 0 HA ARG A 42 34.746 27.472 21.988 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.991 27.089 24.447 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.697 25.826 23.458 1.00 0.00 H new ATOM 0 HG2 ARG A 42 36.006 26.961 24.001 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.142 27.811 25.267 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.260 24.767 24.945 1.00 0.00 H new ATOM 0 HD3 ARG A 42 36.164 25.695 26.125 1.00 0.00 H new ATOM 0 HE ARG A 42 33.266 25.041 26.266 1.00 0.00 H new ATOM 0 HH11 ARG A 42 32.244 25.742 28.156 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.046 26.910 29.213 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.890 27.155 27.194 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.093 27.703 28.672 1.00 0.00 H new ATOM 680 N LEU A 43 32.509 27.231 20.792 1.00 0.00 N ATOM 681 CA LEU A 43 31.234 27.308 20.027 1.00 0.00 C ATOM 682 C LEU A 43 30.254 26.235 20.507 1.00 0.00 C ATOM 683 O LEU A 43 30.626 25.120 20.816 1.00 0.00 O ATOM 684 CB LEU A 43 31.529 27.094 18.540 1.00 0.00 C ATOM 685 CG LEU A 43 32.120 28.367 17.937 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.326 28.826 18.761 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.567 28.071 16.508 1.00 0.00 C ATOM 0 H LEU A 43 33.238 26.655 20.371 1.00 0.00 H new ATOM 0 HA LEU A 43 30.785 28.289 20.185 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.225 26.265 18.414 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.613 26.824 18.014 1.00 0.00 H new ATOM 0 HG LEU A 43 31.368 29.156 17.941 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.741 29.734 18.324 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.012 29.027 19.785 1.00 0.00 H new ATOM 0 HD13 LEU A 43 34.085 28.044 18.762 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.991 28.972 16.065 1.00 0.00 H new ATOM 0 HD22 LEU A 43 33.320 27.283 16.518 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.710 27.746 15.918 1.00 0.00 H new ATOM 699 N ILE A 44 28.995 26.583 20.548 1.00 0.00 N ATOM 700 CA ILE A 44 27.931 25.626 20.987 1.00 0.00 C ATOM 701 C ILE A 44 26.888 25.518 19.873 1.00 0.00 C ATOM 702 O ILE A 44 26.485 26.513 19.301 1.00 0.00 O ATOM 703 CB ILE A 44 27.253 26.155 22.255 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.291 26.316 23.382 1.00 0.00 C ATOM 705 CG2 ILE A 44 26.149 25.182 22.699 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.018 24.989 23.661 1.00 0.00 C ATOM 0 H ILE A 44 28.651 27.508 20.291 1.00 0.00 H new ATOM 0 HA ILE A 44 28.372 24.651 21.194 1.00 0.00 H new ATOM 0 HB ILE A 44 26.810 27.128 22.040 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.017 27.080 23.105 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.796 26.661 24.290 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.670 25.563 23.601 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.407 25.087 21.906 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.586 24.205 22.905 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.744 25.133 24.461 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.293 24.233 23.962 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.533 24.659 22.759 1.00 0.00 H new ATOM 718 N PHE A 45 26.451 24.323 19.553 1.00 0.00 N ATOM 719 CA PHE A 45 25.435 24.143 18.471 1.00 0.00 C ATOM 720 C PHE A 45 24.254 23.336 19.016 1.00 0.00 C ATOM 721 O PHE A 45 24.323 22.135 19.158 1.00 0.00 O ATOM 722 CB PHE A 45 26.079 23.379 17.313 1.00 0.00 C ATOM 723 CG PHE A 45 25.044 23.098 16.253 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.789 24.046 15.258 1.00 0.00 C ATOM 725 CD2 PHE A 45 24.342 21.889 16.266 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.829 23.786 14.273 1.00 0.00 C ATOM 727 CE2 PHE A 45 23.381 21.628 15.283 1.00 0.00 C ATOM 728 CZ PHE A 45 23.124 22.577 14.286 1.00 0.00 C ATOM 0 H PHE A 45 26.758 23.459 20.000 1.00 0.00 H new ATOM 0 HA PHE A 45 25.082 25.115 18.125 1.00 0.00 H new ATOM 0 HB2 PHE A 45 26.898 23.962 16.891 1.00 0.00 H new ATOM 0 HB3 PHE A 45 26.507 22.444 17.675 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.333 24.979 15.249 1.00 0.00 H new ATOM 0 HD2 PHE A 45 24.541 21.157 17.034 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.632 24.518 13.503 1.00 0.00 H new ATOM 0 HE2 PHE A 45 22.838 20.695 15.293 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.382 22.376 13.527 1.00 0.00 H new ATOM 738 N ALA A 46 23.166 23.987 19.316 1.00 0.00 N ATOM 739 CA ALA A 46 21.981 23.251 19.843 1.00 0.00 C ATOM 740 C ALA A 46 22.408 22.267 20.939 1.00 0.00 C ATOM 741 O ALA A 46 22.099 21.093 20.884 1.00 0.00 O ATOM 742 CB ALA A 46 21.314 22.482 18.703 1.00 0.00 C ATOM 0 H ALA A 46 23.045 24.995 19.220 1.00 0.00 H new ATOM 0 HA ALA A 46 21.279 23.969 20.267 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.447 21.943 19.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.994 23.181 17.931 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.024 21.772 18.278 1.00 0.00 H new ATOM 748 N GLY A 47 23.088 22.739 21.949 1.00 0.00 N ATOM 749 CA GLY A 47 23.505 21.836 23.062 1.00 0.00 C ATOM 750 C GLY A 47 24.581 20.842 22.606 1.00 0.00 C ATOM 751 O GLY A 47 25.068 20.054 23.392 1.00 0.00 O ATOM 0 H GLY A 47 23.374 23.713 22.052 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.886 22.431 23.892 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.638 21.290 23.433 1.00 0.00 H new ATOM 755 N LYS A 48 24.945 20.842 21.350 1.00 0.00 N ATOM 756 CA LYS A 48 25.963 19.870 20.877 1.00 0.00 C ATOM 757 C LYS A 48 27.366 20.456 21.064 1.00 0.00 C ATOM 758 O LYS A 48 27.539 21.651 21.203 1.00 0.00 O ATOM 759 CB LYS A 48 25.711 19.582 19.398 1.00 0.00 C ATOM 760 CG LYS A 48 26.653 18.486 18.932 1.00 0.00 C ATOM 761 CD LYS A 48 26.270 18.041 17.520 1.00 0.00 C ATOM 762 CE LYS A 48 27.209 16.925 17.063 1.00 0.00 C ATOM 763 NZ LYS A 48 26.795 16.446 15.714 1.00 0.00 N ATOM 0 H LYS A 48 24.580 21.473 20.636 1.00 0.00 H new ATOM 0 HA LYS A 48 25.892 18.946 21.451 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.676 19.276 19.247 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.866 20.486 18.808 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.681 18.848 18.943 1.00 0.00 H new ATOM 0 HG3 LYS A 48 26.606 17.638 19.616 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.238 17.691 17.505 1.00 0.00 H new ATOM 0 HD3 LYS A 48 26.330 18.885 16.833 1.00 0.00 H new ATOM 0 HE2 LYS A 48 28.236 17.290 17.031 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.185 16.101 17.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 27.639 16.282 15.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.262 15.558 15.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.194 17.163 15.260 1.00 0.00 H new ATOM 777 N GLN A 49 28.368 19.606 21.075 1.00 0.00 N ATOM 778 CA GLN A 49 29.775 20.065 21.259 1.00 0.00 C ATOM 779 C GLN A 49 30.627 19.604 20.074 1.00 0.00 C ATOM 780 O GLN A 49 30.676 18.434 19.747 1.00 0.00 O ATOM 781 CB GLN A 49 30.337 19.468 22.549 1.00 0.00 C ATOM 782 CG GLN A 49 31.656 20.159 22.898 1.00 0.00 C ATOM 783 CD GLN A 49 32.311 19.443 24.082 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.502 18.244 24.052 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.665 20.134 25.130 1.00 0.00 N ATOM 0 H GLN A 49 28.263 18.598 20.962 1.00 0.00 H new ATOM 0 HA GLN A 49 29.796 21.153 21.317 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.622 19.594 23.362 1.00 0.00 H new ATOM 0 HB3 GLN A 49 30.496 18.397 22.427 1.00 0.00 H new ATOM 0 HG2 GLN A 49 32.324 20.146 22.037 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.476 21.205 23.146 1.00 0.00 H new ATOM 0 HE21 GLN A 49 32.505 21.141 25.155 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.102 19.667 25.925 1.00 0.00 H new ATOM 794 N LEU A 50 31.304 20.519 19.431 1.00 0.00 N ATOM 795 CA LEU A 50 32.164 20.148 18.266 1.00 0.00 C ATOM 796 C LEU A 50 33.604 19.948 18.747 1.00 0.00 C ATOM 797 O LEU A 50 34.186 20.816 19.366 1.00 0.00 O ATOM 798 CB LEU A 50 32.125 21.274 17.229 1.00 0.00 C ATOM 799 CG LEU A 50 30.677 21.715 16.996 1.00 0.00 C ATOM 800 CD1 LEU A 50 30.650 22.826 15.943 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.847 20.525 16.505 1.00 0.00 C ATOM 0 H LEU A 50 31.299 21.512 19.663 1.00 0.00 H new ATOM 0 HA LEU A 50 31.797 19.226 17.816 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.721 22.119 17.574 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.566 20.934 16.292 1.00 0.00 H new ATOM 0 HG LEU A 50 30.256 22.085 17.931 1.00 0.00 H new ATOM 0 HD11 LEU A 50 29.621 23.143 15.774 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.238 23.674 16.294 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.072 22.453 15.010 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.817 20.843 16.340 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.265 20.151 15.571 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.867 19.734 17.254 1.00 0.00 H new ATOM 813 N GLU A 51 34.181 18.807 18.472 1.00 0.00 N ATOM 814 CA GLU A 51 35.584 18.544 18.918 1.00 0.00 C ATOM 815 C GLU A 51 36.558 18.918 17.798 1.00 0.00 C ATOM 816 O GLU A 51 36.220 18.890 16.631 1.00 0.00 O ATOM 817 CB GLU A 51 35.739 17.057 19.246 1.00 0.00 C ATOM 818 CG GLU A 51 34.726 16.665 20.325 1.00 0.00 C ATOM 819 CD GLU A 51 34.909 15.188 20.684 1.00 0.00 C ATOM 820 OE1 GLU A 51 34.962 14.379 19.775 1.00 0.00 O ATOM 821 OE2 GLU A 51 34.994 14.895 21.866 1.00 0.00 O ATOM 0 H GLU A 51 33.741 18.044 17.957 1.00 0.00 H new ATOM 0 HA GLU A 51 35.802 19.142 19.803 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.582 16.457 18.349 1.00 0.00 H new ATOM 0 HB3 GLU A 51 36.752 16.854 19.592 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.864 17.285 21.211 1.00 0.00 H new ATOM 0 HG3 GLU A 51 33.711 16.840 19.967 1.00 0.00 H new ATOM 828 N ASP A 52 37.768 19.267 18.146 1.00 0.00 N ATOM 829 CA ASP A 52 38.766 19.643 17.105 1.00 0.00 C ATOM 830 C ASP A 52 39.086 18.424 16.236 1.00 0.00 C ATOM 831 O ASP A 52 38.918 17.294 16.650 1.00 0.00 O ATOM 832 CB ASP A 52 40.047 20.137 17.782 1.00 0.00 C ATOM 833 CG ASP A 52 40.647 19.009 18.624 1.00 0.00 C ATOM 834 OD1 ASP A 52 40.088 17.924 18.610 1.00 0.00 O ATOM 835 OD2 ASP A 52 41.655 19.249 19.268 1.00 0.00 O ATOM 0 H ASP A 52 38.108 19.308 19.107 1.00 0.00 H new ATOM 0 HA ASP A 52 38.355 20.435 16.479 1.00 0.00 H new ATOM 0 HB2 ASP A 52 40.765 20.465 17.030 1.00 0.00 H new ATOM 0 HB3 ASP A 52 39.829 20.999 18.412 1.00 0.00 H new ATOM 840 N GLY A 53 39.546 18.645 15.033 1.00 0.00 N ATOM 841 CA GLY A 53 39.874 17.499 14.138 1.00 0.00 C ATOM 842 C GLY A 53 38.593 16.987 13.478 1.00 0.00 C ATOM 843 O GLY A 53 38.388 15.798 13.337 1.00 0.00 O ATOM 0 H GLY A 53 39.708 19.569 14.633 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.589 17.811 13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.346 16.700 14.710 1.00 0.00 H new ATOM 847 N ARG A 54 37.725 17.879 13.078 1.00 0.00 N ATOM 848 CA ARG A 54 36.452 17.442 12.433 1.00 0.00 C ATOM 849 C ARG A 54 35.944 18.528 11.480 1.00 0.00 C ATOM 850 O ARG A 54 36.216 19.701 11.653 1.00 0.00 O ATOM 851 CB ARG A 54 35.403 17.179 13.518 1.00 0.00 C ATOM 852 CG ARG A 54 34.177 16.465 12.922 1.00 0.00 C ATOM 853 CD ARG A 54 34.550 15.068 12.392 1.00 0.00 C ATOM 854 NE ARG A 54 35.634 14.471 13.226 1.00 0.00 N ATOM 855 CZ ARG A 54 36.387 13.520 12.740 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.333 12.999 13.472 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.190 13.089 11.525 1.00 0.00 N ATOM 0 H ARG A 54 37.842 18.888 13.170 1.00 0.00 H new ATOM 0 HA ARG A 54 36.632 16.530 11.864 1.00 0.00 H new ATOM 0 HB2 ARG A 54 35.836 16.569 14.311 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.097 18.121 13.972 1.00 0.00 H new ATOM 0 HG2 ARG A 54 33.401 16.373 13.682 1.00 0.00 H new ATOM 0 HG3 ARG A 54 33.761 17.065 12.113 1.00 0.00 H new ATOM 0 HD2 ARG A 54 33.673 14.420 12.405 1.00 0.00 H new ATOM 0 HD3 ARG A 54 34.878 15.140 11.355 1.00 0.00 H new ATOM 0 HE ARG A 54 35.787 14.806 14.177 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.485 13.334 14.423 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.921 12.257 13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.448 13.494 10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.778 12.347 11.146 1.00 0.00 H new ATOM 871 N THR A 55 35.201 18.134 10.471 1.00 0.00 N ATOM 872 CA THR A 55 34.651 19.113 9.479 1.00 0.00 C ATOM 873 C THR A 55 33.120 19.043 9.503 1.00 0.00 C ATOM 874 O THR A 55 32.542 18.107 10.017 1.00 0.00 O ATOM 875 CB THR A 55 35.158 18.746 8.081 1.00 0.00 C ATOM 876 OG1 THR A 55 36.564 18.943 8.024 1.00 0.00 O ATOM 877 CG2 THR A 55 34.477 19.628 7.036 1.00 0.00 C ATOM 0 H THR A 55 34.950 17.162 10.291 1.00 0.00 H new ATOM 0 HA THR A 55 34.975 20.123 9.732 1.00 0.00 H new ATOM 0 HB THR A 55 34.925 17.701 7.875 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.891 18.707 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.841 19.363 6.043 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.398 19.477 7.079 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.705 20.674 7.239 1.00 0.00 H new ATOM 885 N LEU A 56 32.457 20.026 8.953 1.00 0.00 N ATOM 886 CA LEU A 56 30.964 20.011 8.953 1.00 0.00 C ATOM 887 C LEU A 56 30.459 18.864 8.070 1.00 0.00 C ATOM 888 O LEU A 56 29.606 18.094 8.471 1.00 0.00 O ATOM 889 CB LEU A 56 30.440 21.346 8.413 1.00 0.00 C ATOM 890 CG LEU A 56 30.944 22.506 9.300 1.00 0.00 C ATOM 891 CD1 LEU A 56 30.971 23.812 8.491 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.018 22.677 10.515 1.00 0.00 C ATOM 0 H LEU A 56 32.883 20.837 8.505 1.00 0.00 H new ATOM 0 HA LEU A 56 30.604 19.865 9.971 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.776 21.490 7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.350 21.338 8.394 1.00 0.00 H new ATOM 0 HG LEU A 56 31.952 22.273 9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.327 24.625 9.124 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.639 23.697 7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 56 29.966 24.042 8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.380 23.497 11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 56 29.007 22.899 10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 56 30.010 21.756 11.099 1.00 0.00 H new ATOM 904 N SER A 57 30.986 18.721 6.882 1.00 0.00 N ATOM 905 CA SER A 57 30.530 17.598 6.017 1.00 0.00 C ATOM 906 C SER A 57 30.785 16.298 6.775 1.00 0.00 C ATOM 907 O SER A 57 29.911 15.473 6.942 1.00 0.00 O ATOM 908 CB SER A 57 31.321 17.600 4.708 1.00 0.00 C ATOM 909 OG SER A 57 31.010 18.776 3.974 1.00 0.00 O ATOM 0 H SER A 57 31.702 19.325 6.479 1.00 0.00 H new ATOM 0 HA SER A 57 29.471 17.701 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.390 17.559 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.076 16.715 4.120 1.00 0.00 H new ATOM 0 HG SER A 57 31.517 18.782 3.135 1.00 0.00 H new ATOM 915 N ASP A 58 31.990 16.120 7.232 1.00 0.00 N ATOM 916 CA ASP A 58 32.330 14.886 7.989 1.00 0.00 C ATOM 917 C ASP A 58 31.283 14.666 9.088 1.00 0.00 C ATOM 918 O ASP A 58 30.985 13.548 9.459 1.00 0.00 O ATOM 919 CB ASP A 58 33.714 15.035 8.623 1.00 0.00 C ATOM 920 CG ASP A 58 34.202 13.667 9.104 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.846 12.982 8.325 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.921 13.325 10.241 1.00 0.00 O ATOM 0 H ASP A 58 32.759 16.780 7.113 1.00 0.00 H new ATOM 0 HA ASP A 58 32.337 14.032 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.415 15.450 7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.670 15.733 9.459 1.00 0.00 H new ATOM 927 N TYR A 59 30.717 15.726 9.612 1.00 0.00 N ATOM 928 CA TYR A 59 29.683 15.571 10.682 1.00 0.00 C ATOM 929 C TYR A 59 28.380 15.066 10.040 1.00 0.00 C ATOM 930 O TYR A 59 27.504 14.557 10.709 1.00 0.00 O ATOM 931 CB TYR A 59 29.448 16.945 11.366 1.00 0.00 C ATOM 932 CG TYR A 59 30.035 16.959 12.768 1.00 0.00 C ATOM 933 CD1 TYR A 59 30.970 17.939 13.131 1.00 0.00 C ATOM 934 CD2 TYR A 59 29.633 15.998 13.703 1.00 0.00 C ATOM 935 CE1 TYR A 59 31.502 17.954 14.426 1.00 0.00 C ATOM 936 CE2 TYR A 59 30.166 16.013 14.997 1.00 0.00 C ATOM 937 CZ TYR A 59 31.099 16.991 15.360 1.00 0.00 C ATOM 938 OH TYR A 59 31.623 17.007 16.636 1.00 0.00 O ATOM 0 H TYR A 59 30.925 16.688 9.346 1.00 0.00 H new ATOM 0 HA TYR A 59 30.017 14.855 11.433 1.00 0.00 H new ATOM 0 HB2 TYR A 59 29.902 17.736 10.769 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.379 17.155 11.412 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.280 18.682 12.411 1.00 0.00 H new ATOM 0 HD2 TYR A 59 28.911 15.244 13.426 1.00 0.00 H new ATOM 0 HE1 TYR A 59 32.223 18.708 14.705 1.00 0.00 H new ATOM 0 HE2 TYR A 59 29.857 15.269 15.716 1.00 0.00 H new ATOM 0 HH TYR A 59 31.237 16.272 17.157 1.00 0.00 H new ATOM 948 N ASN A 60 28.258 15.203 8.749 1.00 0.00 N ATOM 949 CA ASN A 60 27.025 14.731 8.057 1.00 0.00 C ATOM 950 C ASN A 60 25.795 15.423 8.650 1.00 0.00 C ATOM 951 O ASN A 60 24.917 14.786 9.196 1.00 0.00 O ATOM 952 CB ASN A 60 26.891 13.215 8.228 1.00 0.00 C ATOM 953 CG ASN A 60 25.875 12.673 7.219 1.00 0.00 C ATOM 954 OD1 ASN A 60 25.782 13.163 6.111 1.00 0.00 O ATOM 955 ND2 ASN A 60 25.106 11.676 7.558 1.00 0.00 N ATOM 0 H ASN A 60 28.961 15.623 8.141 1.00 0.00 H new ATOM 0 HA ASN A 60 27.095 14.974 6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 60 27.858 12.735 8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.571 12.980 9.243 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.426 11.307 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.184 11.265 8.488 1.00 0.00 H new ATOM 962 N ILE A 61 25.721 16.722 8.544 1.00 0.00 N ATOM 963 CA ILE A 61 24.544 17.448 9.100 1.00 0.00 C ATOM 964 C ILE A 61 23.275 16.963 8.394 1.00 0.00 C ATOM 965 O ILE A 61 23.221 16.880 7.182 1.00 0.00 O ATOM 966 CB ILE A 61 24.718 18.951 8.874 1.00 0.00 C ATOM 967 CG1 ILE A 61 26.056 19.399 9.463 1.00 0.00 C ATOM 968 CG2 ILE A 61 23.580 19.708 9.564 1.00 0.00 C ATOM 969 CD1 ILE A 61 26.299 20.869 9.121 1.00 0.00 C ATOM 0 H ILE A 61 26.424 17.311 8.097 1.00 0.00 H new ATOM 0 HA ILE A 61 24.463 17.253 10.169 1.00 0.00 H new ATOM 0 HB ILE A 61 24.698 19.163 7.805 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.053 19.262 10.544 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.864 18.784 9.066 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.705 20.779 9.402 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.625 19.387 9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.599 19.498 10.633 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.253 21.187 9.541 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.320 20.992 8.038 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.497 21.477 9.539 1.00 0.00 H new ATOM 981 N GLN A 62 22.259 16.630 9.142 1.00 0.00 N ATOM 982 CA GLN A 62 20.999 16.136 8.516 1.00 0.00 C ATOM 983 C GLN A 62 20.290 17.278 7.782 1.00 0.00 C ATOM 984 O GLN A 62 19.908 17.145 6.635 1.00 0.00 O ATOM 985 CB GLN A 62 20.077 15.584 9.606 1.00 0.00 C ATOM 986 CG GLN A 62 18.831 14.969 8.963 1.00 0.00 C ATOM 987 CD GLN A 62 17.930 14.386 10.054 1.00 0.00 C ATOM 988 OE1 GLN A 62 17.506 15.091 10.948 1.00 0.00 O ATOM 989 NE2 GLN A 62 17.616 13.120 10.017 1.00 0.00 N ATOM 0 H GLN A 62 22.247 16.679 10.161 1.00 0.00 H new ATOM 0 HA GLN A 62 21.241 15.350 7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.603 14.833 10.195 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.789 16.382 10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.290 15.726 8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.119 14.189 8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.972 12.528 9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.015 12.722 10.739 1.00 0.00 H new ATOM 998 N LYS A 63 20.091 18.393 8.432 1.00 0.00 N ATOM 999 CA LYS A 63 19.385 19.525 7.766 1.00 0.00 C ATOM 1000 C LYS A 63 20.228 20.058 6.603 1.00 0.00 C ATOM 1001 O LYS A 63 19.699 20.516 5.610 1.00 0.00 O ATOM 1002 CB LYS A 63 19.153 20.646 8.781 1.00 0.00 C ATOM 1003 CG LYS A 63 18.107 20.192 9.807 1.00 0.00 C ATOM 1004 CD LYS A 63 17.721 21.363 10.726 1.00 0.00 C ATOM 1005 CE LYS A 63 18.781 21.553 11.818 1.00 0.00 C ATOM 1006 NZ LYS A 63 18.938 20.287 12.588 1.00 0.00 N ATOM 0 H LYS A 63 20.386 18.569 9.393 1.00 0.00 H new ATOM 0 HA LYS A 63 18.428 19.172 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.087 20.896 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.813 21.548 8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.222 19.817 9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.504 19.369 10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.624 22.277 10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.749 21.172 11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.733 21.838 11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.488 22.363 12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.067 20.508 13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.088 19.700 12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.769 19.769 12.238 1.00 0.00 H new ATOM 1020 N GLU A 64 21.530 19.992 6.714 1.00 0.00 N ATOM 1021 CA GLU A 64 22.414 20.489 5.614 1.00 0.00 C ATOM 1022 C GLU A 64 21.869 21.806 5.049 1.00 0.00 C ATOM 1023 O GLU A 64 21.447 21.875 3.912 1.00 0.00 O ATOM 1024 CB GLU A 64 22.468 19.442 4.498 1.00 0.00 C ATOM 1025 CG GLU A 64 23.570 19.812 3.503 1.00 0.00 C ATOM 1026 CD GLU A 64 23.660 18.738 2.418 1.00 0.00 C ATOM 1027 OE1 GLU A 64 22.885 17.797 2.477 1.00 0.00 O ATOM 1028 OE2 GLU A 64 24.501 18.874 1.545 1.00 0.00 O ATOM 0 H GLU A 64 22.022 19.613 7.523 1.00 0.00 H new ATOM 0 HA GLU A 64 23.414 20.661 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.660 18.455 4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.506 19.389 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.357 20.782 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.525 19.903 4.020 1.00 0.00 H new HETATM 1035 N SEP A 65 21.871 22.851 5.832 1.00 0.00 N HETATM 1036 CA SEP A 65 21.348 24.156 5.330 1.00 0.00 C HETATM 1037 CB SEP A 65 19.821 24.150 5.392 1.00 0.00 C HETATM 1038 OG SEP A 65 19.406 24.161 6.752 1.00 0.00 O HETATM 1039 C SEP A 65 21.888 25.295 6.199 1.00 0.00 C HETATM 1040 O SEP A 65 22.997 25.244 6.689 1.00 0.00 O HETATM 1041 P SEP A 65 17.969 24.567 7.116 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.945 24.652 8.680 1.00 0.00 O HETATM 1043 O2P SEP A 65 17.742 25.952 6.417 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.059 23.427 6.542 1.00 0.00 O HETATM 0 HB3 SEP A 65 19.421 25.020 4.871 1.00 0.00 H new HETATM 0 HB2 SEP A 65 19.429 23.267 4.887 1.00 0.00 H new HETATM 0 HA SEP A 65 21.671 24.302 4.299 1.00 0.00 H new HETATM 1049 N TPO A 66 21.108 26.325 6.394 1.00 0.00 N HETATM 1050 CA TPO A 66 21.576 27.467 7.230 1.00 0.00 C HETATM 1051 CB TPO A 66 20.402 28.409 7.511 1.00 0.00 C HETATM 1052 CG2 TPO A 66 19.877 28.979 6.193 1.00 0.00 C HETATM 1053 OG1 TPO A 66 19.366 27.691 8.167 1.00 0.00 O HETATM 1054 P TPO A 66 18.112 28.430 8.660 1.00 0.00 P HETATM 1055 O1P TPO A 66 17.556 27.562 9.839 1.00 0.00 O HETATM 1056 O2P TPO A 66 17.152 28.484 7.423 1.00 0.00 O HETATM 1057 O3P TPO A 66 18.616 29.843 9.115 1.00 0.00 O HETATM 1058 C TPO A 66 22.129 26.932 8.552 1.00 0.00 C HETATM 1059 O TPO A 66 21.422 26.324 9.331 1.00 0.00 O HETATM 0 HG23 TPO A 66 20.673 29.531 5.693 1.00 0.00 H new HETATM 0 HG22 TPO A 66 19.542 28.164 5.552 1.00 0.00 H new HETATM 0 HG21 TPO A 66 19.041 29.649 6.394 1.00 0.00 H new HETATM 0 HB TPO A 66 20.736 29.227 8.150 1.00 0.00 H new HETATM 0 HA TPO A 66 22.358 28.011 6.701 1.00 0.00 H new HETATM 0 H TPO A 66 20.131 26.271 6.105 1.00 0.00 H new ATOM 1066 N LEU A 67 23.393 27.150 8.809 1.00 0.00 N ATOM 1067 CA LEU A 67 24.004 26.648 10.079 1.00 0.00 C ATOM 1068 C LEU A 67 24.040 27.774 11.117 1.00 0.00 C ATOM 1069 O LEU A 67 24.615 28.822 10.894 1.00 0.00 O ATOM 1070 CB LEU A 67 25.433 26.176 9.801 1.00 0.00 C ATOM 1071 CG LEU A 67 25.446 25.245 8.584 1.00 0.00 C ATOM 1072 CD1 LEU A 67 26.886 24.816 8.291 1.00 0.00 C ATOM 1073 CD2 LEU A 67 24.589 24.005 8.872 1.00 0.00 C ATOM 0 H LEU A 67 24.031 27.655 8.194 1.00 0.00 H new ATOM 0 HA LEU A 67 23.408 25.820 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.080 27.034 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.830 25.655 10.673 1.00 0.00 H new ATOM 0 HG LEU A 67 25.038 25.770 7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.899 24.153 7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.493 25.697 8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.293 24.292 9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.601 23.345 8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.993 23.476 9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.564 24.312 9.081 1.00 0.00 H new ATOM 1085 N HIS A 68 23.439 27.553 12.258 1.00 0.00 N ATOM 1086 CA HIS A 68 23.441 28.595 13.329 1.00 0.00 C ATOM 1087 C HIS A 68 24.587 28.299 14.299 1.00 0.00 C ATOM 1088 O HIS A 68 24.724 27.195 14.784 1.00 0.00 O ATOM 1089 CB HIS A 68 22.110 28.553 14.083 1.00 0.00 C ATOM 1090 CG HIS A 68 21.886 27.172 14.634 1.00 0.00 C ATOM 1091 ND1 HIS A 68 21.340 26.150 13.871 1.00 0.00 N ATOM 1092 CD2 HIS A 68 22.128 26.628 15.872 1.00 0.00 C ATOM 1093 CE1 HIS A 68 21.272 25.054 14.649 1.00 0.00 C ATOM 1094 NE2 HIS A 68 21.739 25.293 15.875 1.00 0.00 N ATOM 0 H HIS A 68 22.945 26.693 12.495 1.00 0.00 H new ATOM 0 HA HIS A 68 23.573 29.583 12.888 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.116 29.282 14.893 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.293 28.826 13.415 1.00 0.00 H new ATOM 0 HD1 HIS A 68 21.044 26.217 12.897 1.00 0.00 H new ATOM 0 HD2 HIS A 68 22.554 27.155 16.713 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.887 24.100 14.321 1.00 0.00 H new ATOM 1103 N LEU A 69 25.408 29.281 14.585 1.00 0.00 N ATOM 1104 CA LEU A 69 26.558 29.075 15.528 1.00 0.00 C ATOM 1105 C LEU A 69 26.403 30.043 16.707 1.00 0.00 C ATOM 1106 O LEU A 69 26.058 31.194 16.529 1.00 0.00 O ATOM 1107 CB LEU A 69 27.880 29.373 14.786 1.00 0.00 C ATOM 1108 CG LEU A 69 28.436 28.097 14.135 1.00 0.00 C ATOM 1109 CD1 LEU A 69 27.471 27.590 13.052 1.00 0.00 C ATOM 1110 CD2 LEU A 69 29.798 28.409 13.506 1.00 0.00 C ATOM 0 H LEU A 69 25.332 30.224 14.204 1.00 0.00 H new ATOM 0 HA LEU A 69 26.570 28.047 15.891 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.711 30.133 14.023 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.611 29.779 15.485 1.00 0.00 H new ATOM 0 HG LEU A 69 28.547 27.323 14.895 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.876 26.686 12.598 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.503 27.368 13.502 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.348 28.356 12.287 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.199 27.508 13.042 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.680 29.185 12.750 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.485 28.756 14.278 1.00 0.00 H new ATOM 1122 N VAL A 70 26.665 29.585 17.909 1.00 0.00 N ATOM 1123 CA VAL A 70 26.545 30.473 19.111 1.00 0.00 C ATOM 1124 C VAL A 70 27.849 30.404 19.908 1.00 0.00 C ATOM 1125 O VAL A 70 28.224 29.363 20.412 1.00 0.00 O ATOM 1126 CB VAL A 70 25.389 29.988 19.986 1.00 0.00 C ATOM 1127 CG1 VAL A 70 25.277 30.879 21.225 1.00 0.00 C ATOM 1128 CG2 VAL A 70 24.085 30.057 19.189 1.00 0.00 C ATOM 0 H VAL A 70 26.958 28.629 18.110 1.00 0.00 H new ATOM 0 HA VAL A 70 26.355 31.500 18.797 1.00 0.00 H new ATOM 0 HB VAL A 70 25.574 28.959 20.295 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.453 30.533 21.849 1.00 0.00 H new ATOM 0 HG12 VAL A 70 26.206 30.831 21.793 1.00 0.00 H new ATOM 0 HG13 VAL A 70 25.092 31.908 20.917 1.00 0.00 H new ATOM 0 HG21 VAL A 70 23.260 29.712 19.811 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.901 31.086 18.881 1.00 0.00 H new ATOM 0 HG23 VAL A 70 24.164 29.423 18.306 1.00 0.00 H new ATOM 1138 N LEU A 71 28.553 31.499 20.018 1.00 0.00 N ATOM 1139 CA LEU A 71 29.842 31.484 20.772 1.00 0.00 C ATOM 1140 C LEU A 71 29.567 31.626 22.271 1.00 0.00 C ATOM 1141 O LEU A 71 28.693 32.358 22.689 1.00 0.00 O ATOM 1142 CB LEU A 71 30.722 32.653 20.301 1.00 0.00 C ATOM 1143 CG LEU A 71 31.448 32.270 19.008 1.00 0.00 C ATOM 1144 CD1 LEU A 71 30.422 31.963 17.919 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.335 33.434 18.560 1.00 0.00 C ATOM 0 H LEU A 71 28.293 32.401 19.620 1.00 0.00 H new ATOM 0 HA LEU A 71 30.356 30.540 20.588 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.108 33.538 20.135 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.447 32.908 21.074 1.00 0.00 H new ATOM 0 HG LEU A 71 32.065 31.388 19.184 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.939 31.690 16.999 1.00 0.00 H new ATOM 0 HD12 LEU A 71 29.789 31.135 18.239 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.805 32.844 17.741 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.853 33.164 17.640 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.718 34.315 18.384 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.067 33.654 19.337 1.00 0.00 H new ATOM 1157 N ARG A 72 30.328 30.929 23.079 1.00 0.00 N ATOM 1158 CA ARG A 72 30.153 31.006 24.565 1.00 0.00 C ATOM 1159 C ARG A 72 31.376 31.706 25.165 1.00 0.00 C ATOM 1160 O ARG A 72 32.447 31.691 24.592 1.00 0.00 O ATOM 1161 CB ARG A 72 30.038 29.585 25.136 1.00 0.00 C ATOM 1162 CG ARG A 72 29.448 29.628 26.559 1.00 0.00 C ATOM 1163 CD ARG A 72 27.915 29.617 26.499 1.00 0.00 C ATOM 1164 NE ARG A 72 27.365 30.117 27.790 1.00 0.00 N ATOM 1165 CZ ARG A 72 26.083 30.323 27.919 1.00 0.00 C ATOM 1166 NH1 ARG A 72 25.602 30.762 29.050 1.00 0.00 N ATOM 1167 NH2 ARG A 72 25.280 30.090 26.915 1.00 0.00 N ATOM 0 H ARG A 72 31.071 30.303 22.770 1.00 0.00 H new ATOM 0 HA ARG A 72 29.250 31.565 24.810 1.00 0.00 H new ATOM 0 HB2 ARG A 72 29.405 28.976 24.490 1.00 0.00 H new ATOM 0 HB3 ARG A 72 31.020 29.113 25.156 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.803 28.772 27.133 1.00 0.00 H new ATOM 0 HG3 ARG A 72 29.792 30.524 27.076 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.568 30.243 25.677 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.555 28.607 26.305 1.00 0.00 H new ATOM 0 HE ARG A 72 27.991 30.299 28.574 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.228 30.944 29.834 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.600 30.923 29.150 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.655 29.747 26.031 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.278 30.251 27.016 1.00 0.00 H new ATOM 1181 N LEU A 73 31.225 32.316 26.315 1.00 0.00 N ATOM 1182 CA LEU A 73 32.374 33.022 26.969 1.00 0.00 C ATOM 1183 C LEU A 73 32.716 32.312 28.280 1.00 0.00 C ATOM 1184 O LEU A 73 31.847 31.817 28.970 1.00 0.00 O ATOM 1185 CB LEU A 73 31.974 34.469 27.274 1.00 0.00 C ATOM 1186 CG LEU A 73 31.342 35.105 26.031 1.00 0.00 C ATOM 1187 CD1 LEU A 73 30.913 36.538 26.358 1.00 0.00 C ATOM 1188 CD2 LEU A 73 32.360 35.124 24.884 1.00 0.00 C ATOM 0 H LEU A 73 30.348 32.356 26.834 1.00 0.00 H new ATOM 0 HA LEU A 73 33.237 33.012 26.304 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.269 34.494 28.105 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.849 35.041 27.581 1.00 0.00 H new ATOM 0 HG LEU A 73 30.472 34.522 25.729 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.463 36.993 25.476 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.186 36.524 27.170 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.784 37.118 26.661 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.906 35.577 24.002 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.233 35.705 25.182 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.665 34.104 24.651 1.00 0.00 H new ATOM 1200 N ARG A 74 33.971 32.258 28.634 1.00 0.00 N ATOM 1201 CA ARG A 74 34.355 31.581 29.904 1.00 0.00 C ATOM 1202 C ARG A 74 35.831 31.851 30.201 1.00 0.00 C ATOM 1203 O ARG A 74 36.672 31.786 29.326 1.00 0.00 O ATOM 1204 CB ARG A 74 34.130 30.072 29.770 1.00 0.00 C ATOM 1205 CG ARG A 74 34.252 29.414 31.146 1.00 0.00 C ATOM 1206 CD ARG A 74 33.849 27.942 31.045 1.00 0.00 C ATOM 1207 NE ARG A 74 33.972 27.301 32.385 1.00 0.00 N ATOM 1208 CZ ARG A 74 33.035 27.469 33.278 1.00 0.00 C ATOM 1209 NH1 ARG A 74 33.140 26.904 34.449 1.00 0.00 N ATOM 1210 NH2 ARG A 74 31.992 28.202 32.998 1.00 0.00 N ATOM 0 H ARG A 74 34.745 32.653 28.100 1.00 0.00 H new ATOM 0 HA ARG A 74 33.743 31.968 30.719 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.144 29.877 29.348 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.861 29.644 29.084 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.276 29.498 31.511 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.614 29.928 31.865 1.00 0.00 H new ATOM 0 HD2 ARG A 74 32.824 27.858 30.682 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.485 27.428 30.324 1.00 0.00 H new ATOM 0 HE ARG A 74 34.789 26.731 32.604 1.00 0.00 H new ATOM 0 HH11 ARG A 74 33.955 26.330 34.667 1.00 0.00 H new ATOM 0 HH12 ARG A 74 32.407 27.036 35.146 1.00 0.00 H new ATOM 0 HH21 ARG A 74 31.910 28.643 32.082 1.00 0.00 H new ATOM 0 HH22 ARG A 74 31.259 28.334 33.695 1.00 0.00 H new ATOM 1224 N GLY A 75 36.153 32.154 31.429 1.00 0.00 N ATOM 1225 CA GLY A 75 37.575 32.427 31.781 1.00 0.00 C ATOM 1226 C GLY A 75 37.672 32.794 33.263 1.00 0.00 C ATOM 1227 O GLY A 75 36.696 32.764 33.985 1.00 0.00 O ATOM 0 H GLY A 75 35.493 32.224 32.203 1.00 0.00 H new ATOM 0 HA2 GLY A 75 38.187 31.550 31.572 1.00 0.00 H new ATOM 0 HA3 GLY A 75 37.963 33.240 31.168 1.00 0.00 H new ATOM 1231 N GLY A 76 38.843 33.143 33.722 1.00 0.00 N ATOM 1232 CA GLY A 76 38.999 33.511 35.158 1.00 0.00 C ATOM 1233 C GLY A 76 37.932 34.537 35.541 1.00 0.00 C ATOM 1234 O GLY A 76 37.340 34.380 36.596 1.00 0.00 O ATOM 1235 OXT GLY A 76 37.725 35.462 34.774 1.00 0.00 O ATOM 0 H GLY A 76 39.697 33.189 33.166 1.00 0.00 H new ATOM 0 HA2 GLY A 76 38.906 32.623 35.784 1.00 0.00 H new ATOM 0 HA3 GLY A 76 39.993 33.922 35.333 1.00 0.00 H new TER 1239 GLY A 76