USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 180:sc= 0.201 USER MOD Set 1.2: A 57 SER OG : rot -39:sc= 0.0443 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 179:sc= 1.65 (180deg=1.03) USER MOD Set 2.2: A 41 GLN : amide:sc= 0.549 K(o=2.2,f=-8!) USER MOD Set 3.1: A 7 THR OG1 : rot -52:sc= 0.906 USER MOD Set 3.2: A 9 THR OG1 : rot 19:sc= 0.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.17 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.137 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.48) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= -0.0491 (180deg=-0.493) USER MOD Single : A 31 GLN : amide:sc= -0.942 K(o=-0.94,f=-0.016) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 0.111! (180deg=-0.182) USER MOD Single : A 40 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.25) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.76 K(o=-0.76,f=0) USER MOD Single : A 59 TYR OH : rot -173:sc= 0.345 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.103) USER MOD Single : A 65 SER OG : rot -160:sc= 0.112 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.533 30.536 17.004 1.00 0.00 N ATOM 2 CA MET A 1 12.563 30.263 18.450 1.00 0.00 C ATOM 3 C MET A 1 13.881 30.805 18.999 1.00 0.00 C ATOM 4 O MET A 1 14.882 30.677 18.291 1.00 0.00 O ATOM 5 CB MET A 1 12.358 28.765 18.648 1.00 0.00 C ATOM 6 CG MET A 1 12.142 28.351 20.110 1.00 0.00 C ATOM 7 SD MET A 1 11.905 26.568 20.310 1.00 0.00 S ATOM 8 CE MET A 1 10.093 26.461 20.401 1.00 0.00 C ATOM 0 H1 MET A 1 11.593 30.301 16.626 1.00 0.00 H new ATOM 0 H2 MET A 1 12.732 31.543 16.837 1.00 0.00 H new ATOM 0 H3 MET A 1 13.253 29.957 16.526 1.00 0.00 H new ATOM 0 HA MET A 1 11.767 30.760 19.004 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.497 28.446 18.060 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.226 28.235 18.256 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.001 28.667 20.702 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.272 28.875 20.506 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.796 25.420 20.525 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.736 27.044 21.250 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.659 26.856 19.482 1.00 0.00 H new ATOM 20 N GLN A 2 13.847 31.414 20.186 1.00 0.00 N ATOM 21 CA GLN A 2 15.006 32.072 20.756 1.00 0.00 C ATOM 22 C GLN A 2 15.770 31.239 21.786 1.00 0.00 C ATOM 23 O GLN A 2 15.221 30.637 22.702 1.00 0.00 O ATOM 24 CB GLN A 2 14.518 33.391 21.343 1.00 0.00 C ATOM 25 CG GLN A 2 15.651 34.359 21.669 1.00 0.00 C ATOM 26 CD GLN A 2 15.294 35.778 21.259 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.306 36.163 20.092 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.836 36.548 22.244 1.00 0.00 N ATOM 0 H GLN A 2 13.013 31.460 20.772 1.00 0.00 H new ATOM 0 HA GLN A 2 15.741 32.230 19.967 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.836 33.865 20.637 1.00 0.00 H new ATOM 0 HB3 GLN A 2 13.949 33.189 22.250 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.863 34.329 22.738 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.560 34.046 21.155 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.838 36.203 23.204 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.483 37.483 22.039 1.00 0.00 H new ATOM 37 N ILE A 3 17.102 31.273 21.710 1.00 0.00 N ATOM 38 CA ILE A 3 17.972 30.681 22.711 1.00 0.00 C ATOM 39 C ILE A 3 19.111 31.606 23.141 1.00 0.00 C ATOM 40 O ILE A 3 19.252 32.707 22.615 1.00 0.00 O ATOM 41 CB ILE A 3 18.482 29.372 22.116 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.197 29.562 20.773 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.425 28.268 22.009 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.238 28.507 20.405 1.00 0.00 C ATOM 0 H ILE A 3 17.605 31.718 20.942 1.00 0.00 H new ATOM 0 HA ILE A 3 17.418 30.503 23.632 1.00 0.00 H new ATOM 0 HB ILE A 3 19.215 29.029 22.846 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.444 29.589 19.985 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.685 30.536 20.780 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.875 27.375 21.576 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.040 28.036 23.002 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.607 28.607 21.373 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.674 28.749 19.436 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.022 28.490 21.162 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.762 27.528 20.354 1.00 0.00 H new ATOM 56 N PHE A 4 19.915 31.144 24.096 1.00 0.00 N ATOM 57 CA PHE A 4 21.143 31.698 24.635 1.00 0.00 C ATOM 58 C PHE A 4 22.266 30.659 24.539 1.00 0.00 C ATOM 59 O PHE A 4 22.155 29.464 24.812 1.00 0.00 O ATOM 60 CB PHE A 4 21.014 32.261 26.045 1.00 0.00 C ATOM 61 CG PHE A 4 19.950 33.282 26.395 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.052 34.580 25.878 1.00 0.00 C ATOM 63 CD2 PHE A 4 18.755 32.841 26.972 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.007 35.497 26.022 1.00 0.00 C ATOM 65 CE2 PHE A 4 17.763 33.791 27.226 1.00 0.00 C ATOM 66 CZ PHE A 4 17.877 35.102 26.743 1.00 0.00 C ATOM 0 H PHE A 4 19.688 30.266 24.563 1.00 0.00 H new ATOM 0 HA PHE A 4 21.392 32.563 24.020 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.871 31.412 26.713 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.976 32.707 26.298 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.952 34.877 25.360 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.604 31.799 27.214 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.071 36.484 25.588 1.00 0.00 H new ATOM 0 HE2 PHE A 4 16.894 33.511 27.804 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.085 35.812 26.930 1.00 0.00 H new ATOM 76 N VAL A 5 23.365 31.226 24.047 1.00 0.00 N ATOM 77 CA VAL A 5 24.674 30.596 24.110 1.00 0.00 C ATOM 78 C VAL A 5 25.485 31.571 24.972 1.00 0.00 C ATOM 79 O VAL A 5 25.539 32.784 24.743 1.00 0.00 O ATOM 80 CB VAL A 5 25.226 30.312 22.716 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.681 29.823 22.669 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.333 29.336 21.954 1.00 0.00 C ATOM 0 H VAL A 5 23.369 32.139 23.592 1.00 0.00 H new ATOM 0 HA VAL A 5 24.685 29.601 24.555 1.00 0.00 H new ATOM 0 HB VAL A 5 25.225 31.288 22.231 1.00 0.00 H new ATOM 0 HG11 VAL A 5 26.974 29.651 21.633 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.333 30.577 23.110 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.771 28.893 23.230 1.00 0.00 H new ATOM 0 HG21 VAL A 5 24.754 29.154 20.965 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.273 28.395 22.501 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.334 29.761 21.851 1.00 0.00 H new ATOM 92 N LYS A 6 26.182 31.042 25.961 1.00 0.00 N ATOM 93 CA LYS A 6 27.399 31.583 26.519 1.00 0.00 C ATOM 94 C LYS A 6 28.637 31.318 25.655 1.00 0.00 C ATOM 95 O LYS A 6 28.801 30.156 25.276 1.00 0.00 O ATOM 96 CB LYS A 6 27.682 30.958 27.887 1.00 0.00 C ATOM 97 CG LYS A 6 26.975 31.476 29.132 1.00 0.00 C ATOM 98 CD LYS A 6 27.446 30.908 30.476 1.00 0.00 C ATOM 99 CE LYS A 6 26.769 31.519 31.699 1.00 0.00 C ATOM 100 NZ LYS A 6 27.304 30.805 32.872 1.00 0.00 N ATOM 0 H LYS A 6 25.895 30.177 26.418 1.00 0.00 H new ATOM 0 HA LYS A 6 27.231 32.658 26.582 1.00 0.00 H new ATOM 0 HB2 LYS A 6 27.457 29.894 27.808 1.00 0.00 H new ATOM 0 HB3 LYS A 6 28.754 31.045 28.065 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.088 32.560 29.162 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.910 31.269 29.029 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.272 29.832 30.481 1.00 0.00 H new ATOM 0 HD3 LYS A 6 28.522 31.057 30.561 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.978 32.587 31.766 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.686 31.410 31.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.871 31.186 33.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.083 29.792 32.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 28.335 30.932 32.915 1.00 0.00 H new ATOM 114 N THR A 7 29.452 32.321 25.338 1.00 0.00 N ATOM 115 CA THR A 7 30.732 32.258 24.669 1.00 0.00 C ATOM 116 C THR A 7 31.731 31.915 25.786 1.00 0.00 C ATOM 117 O THR A 7 31.556 32.334 26.930 1.00 0.00 O ATOM 118 CB THR A 7 31.049 33.579 23.978 1.00 0.00 C ATOM 119 OG1 THR A 7 31.148 34.751 24.762 1.00 0.00 O ATOM 120 CG2 THR A 7 29.987 33.991 22.956 1.00 0.00 C ATOM 0 H THR A 7 29.202 33.283 25.568 1.00 0.00 H new ATOM 0 HA THR A 7 30.762 31.514 23.873 1.00 0.00 H new ATOM 0 HB THR A 7 32.026 33.307 23.578 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.343 34.845 25.314 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.270 34.939 22.499 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.908 33.225 22.184 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.025 34.103 23.456 1.00 0.00 H new ATOM 128 N LEU A 8 32.800 31.210 25.450 1.00 0.00 N ATOM 129 CA LEU A 8 33.876 30.748 26.308 1.00 0.00 C ATOM 130 C LEU A 8 34.680 31.927 26.885 1.00 0.00 C ATOM 131 O LEU A 8 35.248 31.784 27.961 1.00 0.00 O ATOM 132 CB LEU A 8 34.721 29.739 25.528 1.00 0.00 C ATOM 133 CG LEU A 8 34.886 29.871 24.016 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.573 31.183 23.617 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.435 28.557 23.473 1.00 0.00 C ATOM 0 H LEU A 8 32.948 30.922 24.483 1.00 0.00 H new ATOM 0 HA LEU A 8 33.474 30.236 27.183 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.720 29.752 25.963 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.302 28.751 25.721 1.00 0.00 H new ATOM 0 HG LEU A 8 33.931 29.998 23.506 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.667 31.229 22.532 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.977 32.026 23.966 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.564 31.227 24.069 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.559 28.633 22.393 1.00 0.00 H new ATOM 0 HD22 LEU A 8 36.399 28.347 23.935 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.739 27.750 23.702 1.00 0.00 H new ATOM 147 N THR A 9 34.650 33.112 26.291 1.00 0.00 N ATOM 148 CA THR A 9 35.057 34.433 26.735 1.00 0.00 C ATOM 149 C THR A 9 34.134 35.009 27.813 1.00 0.00 C ATOM 150 O THR A 9 34.462 36.063 28.354 1.00 0.00 O ATOM 151 CB THR A 9 35.230 35.371 25.543 1.00 0.00 C ATOM 152 OG1 THR A 9 34.076 35.399 24.737 1.00 0.00 O ATOM 153 CG2 THR A 9 36.380 35.030 24.600 1.00 0.00 C ATOM 0 H THR A 9 34.282 33.172 25.341 1.00 0.00 H new ATOM 0 HA THR A 9 36.029 34.331 27.218 1.00 0.00 H new ATOM 0 HB THR A 9 35.440 36.327 26.022 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.310 35.069 25.251 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.414 35.758 23.789 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.321 35.055 25.150 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.228 34.033 24.187 1.00 0.00 H new ATOM 161 N GLY A 10 32.955 34.443 28.048 1.00 0.00 N ATOM 162 CA GLY A 10 32.207 34.770 29.242 1.00 0.00 C ATOM 163 C GLY A 10 31.083 35.797 29.051 1.00 0.00 C ATOM 164 O GLY A 10 30.415 36.221 29.981 1.00 0.00 O ATOM 0 H GLY A 10 32.507 33.765 27.432 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.775 33.853 29.643 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.900 35.150 29.992 1.00 0.00 H new ATOM 168 N LYS A 11 30.874 36.280 27.828 1.00 0.00 N ATOM 169 CA LYS A 11 29.689 37.030 27.465 1.00 0.00 C ATOM 170 C LYS A 11 28.599 36.088 26.941 1.00 0.00 C ATOM 171 O LYS A 11 28.839 34.982 26.453 1.00 0.00 O ATOM 172 CB LYS A 11 30.115 38.163 26.534 1.00 0.00 C ATOM 173 CG LYS A 11 29.605 38.099 25.089 1.00 0.00 C ATOM 174 CD LYS A 11 30.006 39.186 24.097 1.00 0.00 C ATOM 175 CE LYS A 11 29.637 40.585 24.580 1.00 0.00 C ATOM 176 NZ LYS A 11 29.864 41.555 23.498 1.00 0.00 N ATOM 0 H LYS A 11 31.533 36.157 27.059 1.00 0.00 H new ATOM 0 HA LYS A 11 29.216 37.508 28.323 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.782 39.105 26.970 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.204 38.191 26.509 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.925 37.144 24.673 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.516 38.080 25.129 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.081 39.137 23.925 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.521 38.996 23.140 1.00 0.00 H new ATOM 0 HE2 LYS A 11 28.593 40.610 24.891 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.236 40.850 25.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.612 42.509 23.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.866 41.538 23.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.274 41.305 22.679 1.00 0.00 H new ATOM 190 N THR A 12 27.338 36.513 27.051 1.00 0.00 N ATOM 191 CA THR A 12 26.230 35.678 26.661 1.00 0.00 C ATOM 192 C THR A 12 25.948 36.228 25.256 1.00 0.00 C ATOM 193 O THR A 12 26.218 37.397 25.022 1.00 0.00 O ATOM 194 CB THR A 12 25.034 35.875 27.583 1.00 0.00 C ATOM 195 OG1 THR A 12 25.431 35.450 28.873 1.00 0.00 O ATOM 196 CG2 THR A 12 23.792 35.009 27.367 1.00 0.00 C ATOM 0 H THR A 12 27.072 37.431 27.408 1.00 0.00 H new ATOM 0 HA THR A 12 26.431 34.607 26.700 1.00 0.00 H new ATOM 0 HB THR A 12 24.768 36.918 27.410 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.685 35.563 29.499 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.033 35.272 28.103 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.400 35.179 26.364 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.057 33.958 27.479 1.00 0.00 H new ATOM 204 N ILE A 13 25.403 35.481 24.294 1.00 0.00 N ATOM 205 CA ILE A 13 24.831 35.957 23.051 1.00 0.00 C ATOM 206 C ILE A 13 23.436 35.347 23.017 1.00 0.00 C ATOM 207 O ILE A 13 23.275 34.157 23.290 1.00 0.00 O ATOM 208 CB ILE A 13 25.762 35.637 21.873 1.00 0.00 C ATOM 209 CG1 ILE A 13 26.071 34.158 21.657 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.041 36.475 21.859 1.00 0.00 C ATOM 211 CD1 ILE A 13 26.314 33.897 20.169 1.00 0.00 C ATOM 0 H ILE A 13 25.350 34.466 24.376 1.00 0.00 H new ATOM 0 HA ILE A 13 24.733 37.040 22.972 1.00 0.00 H new ATOM 0 HB ILE A 13 25.160 35.933 21.014 1.00 0.00 H new ATOM 0 HG12 ILE A 13 26.949 33.871 22.235 1.00 0.00 H new ATOM 0 HG13 ILE A 13 25.242 33.547 22.013 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.650 36.195 21.000 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.783 37.532 21.792 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.603 36.296 22.776 1.00 0.00 H new ATOM 0 HD11 ILE A 13 26.535 32.841 20.016 1.00 0.00 H new ATOM 0 HD12 ILE A 13 25.423 34.167 19.602 1.00 0.00 H new ATOM 0 HD13 ILE A 13 27.158 34.497 19.827 1.00 0.00 H new ATOM 223 N THR A 14 22.494 36.110 22.468 1.00 0.00 N ATOM 224 CA THR A 14 21.200 35.596 22.068 1.00 0.00 C ATOM 225 C THR A 14 21.299 35.224 20.595 1.00 0.00 C ATOM 226 O THR A 14 21.726 35.993 19.731 1.00 0.00 O ATOM 227 CB THR A 14 20.212 36.765 22.205 1.00 0.00 C ATOM 228 OG1 THR A 14 20.419 37.456 23.414 1.00 0.00 O ATOM 229 CG2 THR A 14 18.740 36.368 22.274 1.00 0.00 C ATOM 0 H THR A 14 22.614 37.107 22.290 1.00 0.00 H new ATOM 0 HA THR A 14 20.889 34.737 22.662 1.00 0.00 H new ATOM 0 HB THR A 14 20.405 37.350 21.306 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.781 38.197 23.481 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.126 37.263 22.370 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.464 35.834 21.365 1.00 0.00 H new ATOM 0 HG23 THR A 14 18.577 35.722 23.137 1.00 0.00 H new ATOM 237 N LEU A 15 20.577 34.151 20.256 1.00 0.00 N ATOM 238 CA LEU A 15 20.306 33.787 18.889 1.00 0.00 C ATOM 239 C LEU A 15 18.991 33.084 18.521 1.00 0.00 C ATOM 240 O LEU A 15 18.427 32.531 19.456 1.00 0.00 O ATOM 241 CB LEU A 15 21.499 33.209 18.123 1.00 0.00 C ATOM 242 CG LEU A 15 21.843 31.762 18.476 1.00 0.00 C ATOM 243 CD1 LEU A 15 22.625 31.004 17.409 1.00 0.00 C ATOM 244 CD2 LEU A 15 22.598 31.761 19.810 1.00 0.00 C ATOM 0 H LEU A 15 20.167 33.514 20.940 1.00 0.00 H new ATOM 0 HA LEU A 15 20.113 34.797 18.526 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.291 33.269 17.055 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.372 33.833 18.313 1.00 0.00 H new ATOM 0 HG LEU A 15 20.900 31.220 18.549 1.00 0.00 H new ATOM 0 HD11 LEU A 15 22.820 29.988 17.753 1.00 0.00 H new ATOM 0 HD12 LEU A 15 22.044 30.969 16.488 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.571 31.512 17.222 1.00 0.00 H new ATOM 0 HD21 LEU A 15 22.854 30.737 20.082 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.510 32.350 19.712 1.00 0.00 H new ATOM 0 HD23 LEU A 15 21.967 32.196 20.585 1.00 0.00 H new ATOM 256 N GLU A 16 18.474 33.057 17.298 1.00 0.00 N ATOM 257 CA GLU A 16 17.233 32.384 16.989 1.00 0.00 C ATOM 258 C GLU A 16 17.516 31.116 16.173 1.00 0.00 C ATOM 259 O GLU A 16 18.519 31.091 15.465 1.00 0.00 O ATOM 260 CB GLU A 16 16.416 33.368 16.152 1.00 0.00 C ATOM 261 CG GLU A 16 16.148 34.771 16.710 1.00 0.00 C ATOM 262 CD GLU A 16 17.183 35.767 16.213 1.00 0.00 C ATOM 263 OE1 GLU A 16 18.348 35.388 15.937 1.00 0.00 O ATOM 264 OE2 GLU A 16 16.746 36.919 16.042 1.00 0.00 O ATOM 0 H GLU A 16 18.912 33.506 16.494 1.00 0.00 H new ATOM 0 HA GLU A 16 16.701 32.088 17.894 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.922 33.486 15.194 1.00 0.00 H new ATOM 0 HB3 GLU A 16 15.451 32.905 15.948 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.152 35.099 16.413 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.162 34.741 17.799 1.00 0.00 H new ATOM 271 N VAL A 17 16.750 30.097 16.539 1.00 0.00 N ATOM 272 CA VAL A 17 16.887 28.791 15.926 1.00 0.00 C ATOM 273 C VAL A 17 15.502 28.178 15.657 1.00 0.00 C ATOM 274 O VAL A 17 14.503 28.885 15.800 1.00 0.00 O ATOM 275 CB VAL A 17 17.898 28.006 16.747 1.00 0.00 C ATOM 276 CG1 VAL A 17 17.374 27.630 18.139 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.505 26.853 15.942 1.00 0.00 C ATOM 0 H VAL A 17 16.028 30.154 17.258 1.00 0.00 H new ATOM 0 HA VAL A 17 17.308 28.808 14.921 1.00 0.00 H new ATOM 0 HB VAL A 17 18.736 28.668 16.964 1.00 0.00 H new ATOM 0 HG11 VAL A 17 18.140 27.071 18.677 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.129 28.536 18.693 1.00 0.00 H new ATOM 0 HG13 VAL A 17 16.480 27.015 18.037 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.223 26.315 16.561 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.714 26.172 15.629 1.00 0.00 H new ATOM 0 HG23 VAL A 17 19.011 27.250 15.062 1.00 0.00 H new ATOM 287 N GLU A 18 15.501 26.984 15.074 1.00 0.00 N ATOM 288 CA GLU A 18 14.323 26.241 14.680 1.00 0.00 C ATOM 289 C GLU A 18 14.599 24.822 15.181 1.00 0.00 C ATOM 290 O GLU A 18 15.739 24.397 15.038 1.00 0.00 O ATOM 291 CB GLU A 18 14.227 26.381 13.165 1.00 0.00 C ATOM 292 CG GLU A 18 12.975 25.889 12.444 1.00 0.00 C ATOM 293 CD GLU A 18 11.735 26.777 12.486 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.777 27.885 13.062 1.00 0.00 O ATOM 295 OE2 GLU A 18 10.676 26.481 11.901 1.00 0.00 O ATOM 0 H GLU A 18 16.366 26.490 14.856 1.00 0.00 H new ATOM 0 HA GLU A 18 13.367 26.572 15.085 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.348 27.438 12.926 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.080 25.857 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.234 25.724 11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.707 24.919 12.863 1.00 0.00 H new ATOM 302 N PRO A 19 13.599 24.145 15.755 1.00 0.00 N ATOM 303 CA PRO A 19 13.709 22.768 16.189 1.00 0.00 C ATOM 304 C PRO A 19 14.381 21.743 15.279 1.00 0.00 C ATOM 305 O PRO A 19 15.019 20.777 15.686 1.00 0.00 O ATOM 306 CB PRO A 19 12.270 22.310 16.440 1.00 0.00 C ATOM 307 CG PRO A 19 11.493 23.562 16.854 1.00 0.00 C ATOM 308 CD PRO A 19 12.238 24.577 15.977 1.00 0.00 C ATOM 0 HA PRO A 19 14.383 22.791 17.045 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.841 21.864 15.543 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.233 21.552 17.222 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.430 23.499 16.622 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.574 23.780 17.919 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.724 24.689 15.022 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.234 25.555 16.458 1.00 0.00 H new ATOM 316 N SER A 20 14.128 21.918 13.981 1.00 0.00 N ATOM 317 CA SER A 20 14.630 21.090 12.903 1.00 0.00 C ATOM 318 C SER A 20 15.903 21.682 12.298 1.00 0.00 C ATOM 319 O SER A 20 16.263 21.117 11.271 1.00 0.00 O ATOM 320 CB SER A 20 13.484 21.190 11.897 1.00 0.00 C ATOM 321 OG SER A 20 13.014 22.498 11.635 1.00 0.00 O ATOM 0 H SER A 20 13.538 22.680 13.645 1.00 0.00 H new ATOM 0 HA SER A 20 14.891 20.077 13.210 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.810 20.745 10.957 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.650 20.590 12.262 1.00 0.00 H new ATOM 0 HG SER A 20 12.285 22.459 10.981 1.00 0.00 H new ATOM 327 N ASP A 21 16.496 22.774 12.760 1.00 0.00 N ATOM 328 CA ASP A 21 17.823 23.130 12.271 1.00 0.00 C ATOM 329 C ASP A 21 18.780 22.137 12.936 1.00 0.00 C ATOM 330 O ASP A 21 18.550 21.506 13.965 1.00 0.00 O ATOM 331 CB ASP A 21 18.034 24.592 12.689 1.00 0.00 C ATOM 332 CG ASP A 21 18.784 25.379 11.621 1.00 0.00 C ATOM 333 OD1 ASP A 21 19.734 24.864 10.975 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.260 26.461 11.291 1.00 0.00 O ATOM 0 H ASP A 21 16.097 23.411 13.450 1.00 0.00 H new ATOM 0 HA ASP A 21 17.975 23.068 11.193 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.068 25.061 12.876 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.591 24.626 13.625 1.00 0.00 H new ATOM 339 N THR A 22 19.962 22.006 12.343 1.00 0.00 N ATOM 340 CA THR A 22 21.009 21.097 12.752 1.00 0.00 C ATOM 341 C THR A 22 22.135 21.813 13.506 1.00 0.00 C ATOM 342 O THR A 22 22.348 23.023 13.402 1.00 0.00 O ATOM 343 CB THR A 22 21.437 20.324 11.499 1.00 0.00 C ATOM 344 OG1 THR A 22 21.784 21.107 10.371 1.00 0.00 O ATOM 345 CG2 THR A 22 20.505 19.167 11.138 1.00 0.00 C ATOM 0 H THR A 22 20.221 22.560 11.527 1.00 0.00 H new ATOM 0 HA THR A 22 20.657 20.378 13.491 1.00 0.00 H new ATOM 0 HB THR A 22 22.382 19.883 11.815 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.042 20.518 9.631 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.874 18.669 10.241 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.474 18.454 11.962 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.502 19.552 10.953 1.00 0.00 H new ATOM 353 N ILE A 23 22.860 21.086 14.343 1.00 0.00 N ATOM 354 CA ILE A 23 23.821 21.500 15.348 1.00 0.00 C ATOM 355 C ILE A 23 25.034 22.196 14.722 1.00 0.00 C ATOM 356 O ILE A 23 25.279 23.324 15.143 1.00 0.00 O ATOM 357 CB ILE A 23 24.191 20.384 16.322 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.054 19.644 17.023 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.265 20.815 17.333 1.00 0.00 C ATOM 360 CD1 ILE A 23 21.969 20.571 17.587 1.00 0.00 C ATOM 0 H ILE A 23 22.776 20.070 14.330 1.00 0.00 H new ATOM 0 HA ILE A 23 23.326 22.249 15.966 1.00 0.00 H new ATOM 0 HB ILE A 23 24.600 19.636 15.642 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.596 18.950 16.319 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.468 19.047 17.836 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.490 19.984 18.001 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.170 21.108 16.800 1.00 0.00 H new ATOM 0 HG23 ILE A 23 24.898 21.660 17.916 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.195 19.974 18.070 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.413 21.249 18.316 1.00 0.00 H new ATOM 0 HD13 ILE A 23 21.527 21.150 16.776 1.00 0.00 H new ATOM 372 N GLU A 24 25.723 21.506 13.820 1.00 0.00 N ATOM 373 CA GLU A 24 26.866 21.842 12.985 1.00 0.00 C ATOM 374 C GLU A 24 26.786 23.214 12.306 1.00 0.00 C ATOM 375 O GLU A 24 27.663 24.052 12.457 1.00 0.00 O ATOM 376 CB GLU A 24 27.468 20.642 12.262 1.00 0.00 C ATOM 377 CG GLU A 24 28.839 20.850 11.620 1.00 0.00 C ATOM 378 CD GLU A 24 29.814 19.744 11.976 1.00 0.00 C ATOM 379 OE1 GLU A 24 30.047 19.391 13.155 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.421 19.230 11.016 1.00 0.00 O ATOM 0 H GLU A 24 25.443 20.544 13.632 1.00 0.00 H new ATOM 0 HA GLU A 24 27.708 22.075 13.637 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.545 19.819 12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.772 20.327 11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.727 20.898 10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.247 21.808 11.941 1.00 0.00 H new ATOM 387 N ASN A 25 25.611 23.419 11.698 1.00 0.00 N ATOM 388 CA ASN A 25 25.142 24.555 10.931 1.00 0.00 C ATOM 389 C ASN A 25 25.388 25.874 11.667 1.00 0.00 C ATOM 390 O ASN A 25 26.043 26.796 11.187 1.00 0.00 O ATOM 391 CB ASN A 25 23.747 24.314 10.360 1.00 0.00 C ATOM 392 CG ASN A 25 23.074 25.513 9.693 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.608 26.064 8.736 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.947 25.959 10.219 1.00 0.00 N ATOM 0 H ASN A 25 24.889 22.700 11.744 1.00 0.00 H new ATOM 0 HA ASN A 25 25.748 24.668 10.032 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.810 23.507 9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.102 23.964 11.167 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.494 26.786 9.829 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.530 25.477 11.015 1.00 0.00 H new ATOM 401 N VAL A 26 24.792 26.025 12.839 1.00 0.00 N ATOM 402 CA VAL A 26 24.846 27.156 13.746 1.00 0.00 C ATOM 403 C VAL A 26 26.230 27.113 14.402 1.00 0.00 C ATOM 404 O VAL A 26 26.731 28.191 14.686 1.00 0.00 O ATOM 405 CB VAL A 26 23.787 26.945 14.823 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.593 28.017 15.897 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.410 26.683 14.197 1.00 0.00 C ATOM 0 H VAL A 26 24.200 25.284 13.214 1.00 0.00 H new ATOM 0 HA VAL A 26 24.674 28.104 13.236 1.00 0.00 H new ATOM 0 HB VAL A 26 24.209 26.089 15.350 1.00 0.00 H new ATOM 0 HG11 VAL A 26 22.803 27.708 16.581 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.522 28.149 16.452 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.316 28.959 15.425 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.673 26.536 14.987 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.120 27.537 13.585 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.457 25.790 13.574 1.00 0.00 H new ATOM 417 N LYS A 27 26.755 25.944 14.755 1.00 0.00 N ATOM 418 CA LYS A 27 28.033 25.760 15.410 1.00 0.00 C ATOM 419 C LYS A 27 29.203 26.252 14.547 1.00 0.00 C ATOM 420 O LYS A 27 30.185 26.580 15.218 1.00 0.00 O ATOM 421 CB LYS A 27 28.272 24.275 15.702 1.00 0.00 C ATOM 422 CG LYS A 27 29.423 23.856 16.612 1.00 0.00 C ATOM 423 CD LYS A 27 29.395 22.326 16.675 1.00 0.00 C ATOM 424 CE LYS A 27 30.380 21.767 17.705 1.00 0.00 C ATOM 425 NZ LYS A 27 31.788 21.851 17.294 1.00 0.00 N ATOM 0 H LYS A 27 26.274 25.062 14.581 1.00 0.00 H new ATOM 0 HA LYS A 27 27.993 26.343 16.330 1.00 0.00 H new ATOM 0 HB2 LYS A 27 27.354 23.877 16.135 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.416 23.775 14.744 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.376 24.210 16.220 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.308 24.287 17.606 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.387 21.994 16.922 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.632 21.920 15.692 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.254 22.307 18.643 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.131 20.724 17.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.393 21.469 18.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.929 21.299 16.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.040 22.845 17.118 1.00 0.00 H new ATOM 439 N ALA A 28 29.164 26.265 13.221 1.00 0.00 N ATOM 440 CA ALA A 28 30.212 26.734 12.340 1.00 0.00 C ATOM 441 C ALA A 28 30.152 28.201 11.936 1.00 0.00 C ATOM 442 O ALA A 28 31.091 28.784 11.403 1.00 0.00 O ATOM 443 CB ALA A 28 30.029 25.993 11.009 1.00 0.00 C ATOM 0 H ALA A 28 28.350 25.928 12.707 1.00 0.00 H new ATOM 0 HA ALA A 28 31.139 26.570 12.890 1.00 0.00 H new ATOM 0 HB1 ALA A 28 30.798 26.312 10.306 1.00 0.00 H new ATOM 0 HB2 ALA A 28 30.113 24.919 11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 28 29.045 26.220 10.598 1.00 0.00 H new ATOM 449 N LYS A 29 29.005 28.843 12.175 1.00 0.00 N ATOM 450 CA LYS A 29 28.707 30.243 11.925 1.00 0.00 C ATOM 451 C LYS A 29 29.698 31.208 12.585 1.00 0.00 C ATOM 452 O LYS A 29 29.959 32.294 12.068 1.00 0.00 O ATOM 453 CB LYS A 29 27.322 30.456 12.520 1.00 0.00 C ATOM 454 CG LYS A 29 26.410 31.406 11.745 1.00 0.00 C ATOM 455 CD LYS A 29 26.996 32.801 11.545 1.00 0.00 C ATOM 456 CE LYS A 29 25.965 33.851 11.145 1.00 0.00 C ATOM 457 NZ LYS A 29 25.095 34.085 12.307 1.00 0.00 N ATOM 0 H LYS A 29 28.205 28.355 12.578 1.00 0.00 H new ATOM 0 HA LYS A 29 28.769 30.451 10.857 1.00 0.00 H new ATOM 0 HB2 LYS A 29 26.827 29.488 12.598 1.00 0.00 H new ATOM 0 HB3 LYS A 29 27.437 30.838 13.534 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.193 30.971 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.461 31.494 12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 29 27.482 33.116 12.468 1.00 0.00 H new ATOM 0 HD3 LYS A 29 27.769 32.754 10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 29 26.457 34.775 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 29 25.380 33.508 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 24.668 35.030 12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 24.344 33.366 12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 25.657 34.024 13.180 1.00 0.00 H new ATOM 471 N ILE A 30 30.268 30.712 13.680 1.00 0.00 N ATOM 472 CA ILE A 30 31.177 31.205 14.680 1.00 0.00 C ATOM 473 C ILE A 30 32.434 31.928 14.193 1.00 0.00 C ATOM 474 O ILE A 30 32.991 32.691 14.975 1.00 0.00 O ATOM 475 CB ILE A 30 31.564 30.054 15.616 1.00 0.00 C ATOM 476 CG1 ILE A 30 32.209 30.426 16.943 1.00 0.00 C ATOM 477 CG2 ILE A 30 32.448 29.040 14.886 1.00 0.00 C ATOM 478 CD1 ILE A 30 31.479 31.288 17.972 1.00 0.00 C ATOM 0 H ILE A 30 30.040 29.747 13.918 1.00 0.00 H new ATOM 0 HA ILE A 30 30.618 31.990 15.190 1.00 0.00 H new ATOM 0 HB ILE A 30 30.601 29.626 15.893 1.00 0.00 H new ATOM 0 HG12 ILE A 30 32.471 29.492 17.441 1.00 0.00 H new ATOM 0 HG13 ILE A 30 33.144 30.935 16.709 1.00 0.00 H new ATOM 0 HG21 ILE A 30 32.712 28.231 15.567 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.906 28.633 14.032 1.00 0.00 H new ATOM 0 HG23 ILE A 30 33.356 29.533 14.538 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.117 31.432 18.844 1.00 0.00 H new ATOM 0 HD12 ILE A 30 31.241 32.256 17.532 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.558 30.791 18.275 1.00 0.00 H new ATOM 490 N GLN A 31 32.837 31.659 12.952 1.00 0.00 N ATOM 491 CA GLN A 31 33.869 32.356 12.220 1.00 0.00 C ATOM 492 C GLN A 31 33.621 33.847 11.949 1.00 0.00 C ATOM 493 O GLN A 31 34.403 34.464 11.236 1.00 0.00 O ATOM 494 CB GLN A 31 33.957 31.607 10.883 1.00 0.00 C ATOM 495 CG GLN A 31 33.097 31.836 9.645 1.00 0.00 C ATOM 496 CD GLN A 31 33.260 30.766 8.581 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.789 31.055 7.486 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.909 29.623 8.840 1.00 0.00 N ATOM 0 H GLN A 31 32.422 30.903 12.408 1.00 0.00 H new ATOM 0 HA GLN A 31 34.778 32.355 12.821 1.00 0.00 H new ATOM 0 HB2 GLN A 31 34.986 31.734 10.548 1.00 0.00 H new ATOM 0 HB3 GLN A 31 33.830 30.554 11.133 1.00 0.00 H new ATOM 0 HG2 GLN A 31 32.050 31.881 9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.347 32.805 9.214 1.00 0.00 H new ATOM 0 HE21 GLN A 31 34.276 29.446 9.775 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.036 28.930 8.102 1.00 0.00 H new ATOM 507 N ASP A 32 32.526 34.408 12.448 1.00 0.00 N ATOM 508 CA ASP A 32 32.121 35.762 12.769 1.00 0.00 C ATOM 509 C ASP A 32 33.141 36.894 12.963 1.00 0.00 C ATOM 510 O ASP A 32 32.990 37.898 12.268 1.00 0.00 O ATOM 511 CB ASP A 32 30.905 35.766 13.692 1.00 0.00 C ATOM 512 CG ASP A 32 30.326 37.083 14.185 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.881 37.892 13.350 1.00 0.00 O ATOM 514 OD2 ASP A 32 30.263 37.149 15.433 1.00 0.00 O ATOM 0 H ASP A 32 31.752 33.785 12.679 1.00 0.00 H new ATOM 0 HA ASP A 32 31.837 36.138 11.786 1.00 0.00 H new ATOM 0 HB2 ASP A 32 30.106 35.234 13.176 1.00 0.00 H new ATOM 0 HB3 ASP A 32 31.164 35.177 14.572 1.00 0.00 H new ATOM 519 N LYS A 33 34.138 36.808 13.836 1.00 0.00 N ATOM 520 CA LYS A 33 34.858 37.956 14.354 1.00 0.00 C ATOM 521 C LYS A 33 36.321 37.623 14.686 1.00 0.00 C ATOM 522 O LYS A 33 37.155 38.526 14.747 1.00 0.00 O ATOM 523 CB LYS A 33 34.085 38.697 15.448 1.00 0.00 C ATOM 524 CG LYS A 33 33.739 38.018 16.772 1.00 0.00 C ATOM 525 CD LYS A 33 34.595 38.478 17.958 1.00 0.00 C ATOM 526 CE LYS A 33 34.419 37.614 19.195 1.00 0.00 C ATOM 527 NZ LYS A 33 34.799 36.222 18.918 1.00 0.00 N ATOM 0 H LYS A 33 34.472 35.919 14.208 1.00 0.00 H new ATOM 0 HA LYS A 33 34.927 38.690 13.551 1.00 0.00 H new ATOM 0 HB2 LYS A 33 34.656 39.593 15.690 1.00 0.00 H new ATOM 0 HB3 LYS A 33 33.146 39.028 15.005 1.00 0.00 H new ATOM 0 HG2 LYS A 33 32.690 38.207 17.001 1.00 0.00 H new ATOM 0 HG3 LYS A 33 33.851 36.940 16.654 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.645 38.471 17.664 1.00 0.00 H new ATOM 0 HD3 LYS A 33 34.340 39.509 18.204 1.00 0.00 H new ATOM 0 HE2 LYS A 33 35.029 38.007 20.008 1.00 0.00 H new ATOM 0 HE3 LYS A 33 33.381 37.653 19.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 34.966 35.723 19.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 34.033 35.750 18.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.667 36.206 18.346 1.00 0.00 H new ATOM 541 N GLU A 34 36.581 36.329 14.844 1.00 0.00 N ATOM 542 CA GLU A 34 37.843 35.731 14.484 1.00 0.00 C ATOM 543 C GLU A 34 37.516 34.589 13.527 1.00 0.00 C ATOM 544 O GLU A 34 36.387 34.114 13.496 1.00 0.00 O ATOM 545 CB GLU A 34 38.822 35.576 15.648 1.00 0.00 C ATOM 546 CG GLU A 34 38.425 34.435 16.599 1.00 0.00 C ATOM 547 CD GLU A 34 37.289 34.807 17.539 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.311 35.825 18.259 1.00 0.00 O ATOM 549 OE2 GLU A 34 36.221 34.153 17.544 1.00 0.00 O ATOM 0 H GLU A 34 35.908 35.667 15.230 1.00 0.00 H new ATOM 0 HA GLU A 34 38.510 36.378 13.914 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.821 35.388 15.256 1.00 0.00 H new ATOM 0 HB3 GLU A 34 38.870 36.511 16.206 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.131 33.566 16.011 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.294 34.142 17.188 1.00 0.00 H new ATOM 556 N GLY A 35 38.529 34.016 12.880 1.00 0.00 N ATOM 557 CA GLY A 35 38.255 32.989 11.887 1.00 0.00 C ATOM 558 C GLY A 35 38.837 31.696 12.461 1.00 0.00 C ATOM 559 O GLY A 35 39.775 31.171 11.874 1.00 0.00 O ATOM 0 H GLY A 35 39.515 34.238 13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 35 37.184 32.892 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 35 38.716 33.236 10.931 1.00 0.00 H new ATOM 563 N ILE A 36 38.369 31.192 13.603 1.00 0.00 N ATOM 564 CA ILE A 36 38.739 29.986 14.313 1.00 0.00 C ATOM 565 C ILE A 36 37.934 28.800 13.775 1.00 0.00 C ATOM 566 O ILE A 36 36.745 28.966 13.507 1.00 0.00 O ATOM 567 CB ILE A 36 38.401 30.199 15.789 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.022 30.745 16.167 1.00 0.00 C ATOM 569 CG2 ILE A 36 39.511 30.964 16.513 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.691 30.926 17.646 1.00 0.00 C ATOM 0 H ILE A 36 37.632 31.687 14.106 1.00 0.00 H new ATOM 0 HA ILE A 36 39.801 29.777 14.182 1.00 0.00 H new ATOM 0 HB ILE A 36 38.336 29.169 16.141 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.904 31.713 15.680 1.00 0.00 H new ATOM 0 HG13 ILE A 36 36.273 30.079 15.739 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.238 31.098 17.560 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.442 30.401 16.450 1.00 0.00 H new ATOM 0 HG23 ILE A 36 39.645 31.940 16.046 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.680 31.320 17.747 1.00 0.00 H new ATOM 0 HD12 ILE A 36 36.758 29.964 18.154 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.399 31.623 18.095 1.00 0.00 H new ATOM 582 N PRO A 37 38.443 27.574 13.770 1.00 0.00 N ATOM 583 CA PRO A 37 37.660 26.403 13.440 1.00 0.00 C ATOM 584 C PRO A 37 36.726 25.954 14.562 1.00 0.00 C ATOM 585 O PRO A 37 37.078 25.864 15.746 1.00 0.00 O ATOM 586 CB PRO A 37 38.619 25.244 13.172 1.00 0.00 C ATOM 587 CG PRO A 37 39.924 25.668 13.850 1.00 0.00 C ATOM 588 CD PRO A 37 39.831 27.201 13.938 1.00 0.00 C ATOM 0 HA PRO A 37 37.049 26.669 12.577 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.240 24.310 13.587 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.760 25.083 12.103 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.022 25.219 14.838 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.792 25.356 13.270 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.206 27.551 14.900 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.447 27.665 13.167 1.00 0.00 H new ATOM 596 N PRO A 38 35.491 25.609 14.208 1.00 0.00 N ATOM 597 CA PRO A 38 34.453 25.230 15.149 1.00 0.00 C ATOM 598 C PRO A 38 34.637 23.797 15.665 1.00 0.00 C ATOM 599 O PRO A 38 34.009 23.481 16.678 1.00 0.00 O ATOM 600 CB PRO A 38 33.091 25.379 14.464 1.00 0.00 C ATOM 601 CG PRO A 38 33.523 25.193 13.006 1.00 0.00 C ATOM 602 CD PRO A 38 34.963 25.661 12.859 1.00 0.00 C ATOM 0 HA PRO A 38 34.515 25.888 16.016 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.374 24.625 14.788 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.635 26.352 14.645 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.435 24.146 12.717 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.871 25.763 12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.526 25.014 12.186 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.014 26.670 12.449 1.00 0.00 H new ATOM 610 N ASP A 39 35.423 22.896 15.089 1.00 0.00 N ATOM 611 CA ASP A 39 35.657 21.549 15.562 1.00 0.00 C ATOM 612 C ASP A 39 36.492 21.632 16.844 1.00 0.00 C ATOM 613 O ASP A 39 36.596 20.661 17.607 1.00 0.00 O ATOM 614 CB ASP A 39 36.371 20.813 14.426 1.00 0.00 C ATOM 615 CG ASP A 39 36.725 19.371 14.751 1.00 0.00 C ATOM 616 OD1 ASP A 39 35.833 18.488 14.825 1.00 0.00 O ATOM 617 OD2 ASP A 39 37.941 19.086 14.688 1.00 0.00 O ATOM 0 H ASP A 39 35.939 23.102 14.234 1.00 0.00 H new ATOM 0 HA ASP A 39 34.745 21.007 15.812 1.00 0.00 H new ATOM 0 HB2 ASP A 39 35.736 20.830 13.540 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.284 21.353 14.174 1.00 0.00 H new ATOM 622 N GLN A 40 37.102 22.783 17.115 1.00 0.00 N ATOM 623 CA GLN A 40 37.871 23.100 18.290 1.00 0.00 C ATOM 624 C GLN A 40 37.084 23.718 19.441 1.00 0.00 C ATOM 625 O GLN A 40 37.661 24.296 20.359 1.00 0.00 O ATOM 626 CB GLN A 40 39.059 24.025 18.006 1.00 0.00 C ATOM 627 CG GLN A 40 40.085 23.385 17.081 1.00 0.00 C ATOM 628 CD GLN A 40 40.599 22.018 17.506 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.801 21.749 18.691 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.766 21.072 16.580 1.00 0.00 N ATOM 0 H GLN A 40 37.062 23.568 16.465 1.00 0.00 H new ATOM 0 HA GLN A 40 38.215 22.113 18.599 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.697 24.950 17.557 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.540 24.294 18.947 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.644 23.294 16.088 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.936 24.060 16.991 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.601 21.286 15.597 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.059 20.135 16.856 1.00 0.00 H new ATOM 639 N GLN A 41 35.754 23.606 19.449 1.00 0.00 N ATOM 640 CA GLN A 41 34.672 23.917 20.357 1.00 0.00 C ATOM 641 C GLN A 41 33.561 22.871 20.342 1.00 0.00 C ATOM 642 O GLN A 41 33.456 22.106 19.385 1.00 0.00 O ATOM 643 CB GLN A 41 34.188 25.368 20.256 1.00 0.00 C ATOM 644 CG GLN A 41 33.863 25.890 18.855 1.00 0.00 C ATOM 645 CD GLN A 41 32.474 25.615 18.298 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.968 24.495 18.271 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.990 26.614 17.553 1.00 0.00 N ATOM 0 H GLN A 41 35.335 23.197 18.614 1.00 0.00 H new ATOM 0 HA GLN A 41 35.094 23.851 21.360 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.296 25.472 20.873 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.953 26.012 20.690 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.015 26.969 18.857 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.591 25.466 18.163 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.425 27.536 17.591 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.185 26.455 16.947 1.00 0.00 H new ATOM 656 N ARG A 42 32.741 22.826 21.386 1.00 0.00 N ATOM 657 CA ARG A 42 31.629 21.950 21.692 1.00 0.00 C ATOM 658 C ARG A 42 30.570 22.661 22.539 1.00 0.00 C ATOM 659 O ARG A 42 30.891 23.474 23.398 1.00 0.00 O ATOM 660 CB ARG A 42 32.025 20.620 22.346 1.00 0.00 C ATOM 661 CG ARG A 42 32.807 19.676 21.434 1.00 0.00 C ATOM 662 CD ARG A 42 33.163 18.252 21.865 1.00 0.00 C ATOM 663 NE ARG A 42 34.213 17.561 21.123 1.00 0.00 N ATOM 664 CZ ARG A 42 34.586 16.284 21.288 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.295 15.557 22.367 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.292 15.850 20.234 1.00 0.00 N ATOM 0 H ARG A 42 32.865 23.502 22.140 1.00 0.00 H new ATOM 0 HA ARG A 42 31.206 21.694 20.720 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.625 20.829 23.232 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.122 20.113 22.685 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.241 19.593 20.506 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.745 20.176 21.192 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.458 18.283 22.914 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.258 17.648 21.806 1.00 0.00 H new ATOM 0 HE ARG A 42 34.709 18.100 20.413 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.758 15.969 23.130 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.610 14.589 22.430 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.476 16.477 19.450 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.645 14.893 20.216 1.00 0.00 H new ATOM 680 N LEU A 43 29.294 22.308 22.346 1.00 0.00 N ATOM 681 CA LEU A 43 28.095 22.751 23.023 1.00 0.00 C ATOM 682 C LEU A 43 27.649 21.806 24.146 1.00 0.00 C ATOM 683 O LEU A 43 27.420 20.634 23.829 1.00 0.00 O ATOM 684 CB LEU A 43 26.993 22.885 21.974 1.00 0.00 C ATOM 685 CG LEU A 43 26.771 24.345 21.544 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.640 25.344 22.686 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.753 24.763 20.447 1.00 0.00 C ATOM 0 H LEU A 43 29.064 21.625 21.625 1.00 0.00 H new ATOM 0 HA LEU A 43 28.305 23.705 23.506 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.251 22.287 21.100 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.063 22.481 22.374 1.00 0.00 H new ATOM 0 HG LEU A 43 25.776 24.374 21.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.486 26.344 22.279 1.00 0.00 H new ATOM 0 HD12 LEU A 43 25.790 25.072 23.311 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.550 25.332 23.286 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.567 25.800 20.168 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.774 24.664 20.816 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.618 24.123 19.575 1.00 0.00 H new ATOM 699 N ILE A 44 27.527 22.249 25.389 1.00 0.00 N ATOM 700 CA ILE A 44 26.687 21.654 26.422 1.00 0.00 C ATOM 701 C ILE A 44 25.337 22.362 26.353 1.00 0.00 C ATOM 702 O ILE A 44 25.351 23.584 26.247 1.00 0.00 O ATOM 703 CB ILE A 44 27.278 21.896 27.812 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.604 21.153 27.965 1.00 0.00 C ATOM 705 CG2 ILE A 44 26.383 21.621 29.012 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.430 21.428 29.214 1.00 0.00 C ATOM 0 H ILE A 44 28.033 23.070 25.721 1.00 0.00 H new ATOM 0 HA ILE A 44 26.606 20.579 26.260 1.00 0.00 H new ATOM 0 HB ILE A 44 27.417 22.977 27.838 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.395 20.084 27.930 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.221 21.386 27.097 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.930 21.835 29.930 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.499 22.257 28.960 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.078 20.574 29.006 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.342 20.832 29.186 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.689 22.486 29.253 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.851 21.164 30.099 1.00 0.00 H new ATOM 718 N PHE A 45 24.259 21.617 26.605 1.00 0.00 N ATOM 719 CA PHE A 45 22.915 22.115 26.800 1.00 0.00 C ATOM 720 C PHE A 45 22.327 21.979 28.208 1.00 0.00 C ATOM 721 O PHE A 45 22.294 22.956 28.960 1.00 0.00 O ATOM 722 CB PHE A 45 22.048 21.644 25.621 1.00 0.00 C ATOM 723 CG PHE A 45 21.541 20.234 25.851 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.352 19.099 25.840 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.154 20.063 25.928 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.798 17.814 25.890 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.600 18.781 26.060 1.00 0.00 C ATOM 728 CZ PHE A 45 20.431 17.649 26.122 1.00 0.00 C ATOM 0 H PHE A 45 24.313 20.601 26.680 1.00 0.00 H new ATOM 0 HA PHE A 45 22.942 23.204 26.774 1.00 0.00 H new ATOM 0 HB2 PHE A 45 21.204 22.322 25.492 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.630 21.680 24.700 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.425 19.213 25.792 1.00 0.00 H new ATOM 0 HD2 PHE A 45 19.505 20.925 25.885 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.429 16.949 25.749 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.528 18.663 26.114 1.00 0.00 H new ATOM 0 HZ PHE A 45 20.022 16.674 26.344 1.00 0.00 H new ATOM 738 N ALA A 46 21.895 20.790 28.618 1.00 0.00 N ATOM 739 CA ALA A 46 21.361 20.604 29.946 1.00 0.00 C ATOM 740 C ALA A 46 22.151 19.373 30.405 1.00 0.00 C ATOM 741 O ALA A 46 21.835 18.232 30.082 1.00 0.00 O ATOM 742 CB ALA A 46 19.874 20.255 29.841 1.00 0.00 C ATOM 0 H ALA A 46 21.908 19.947 28.044 1.00 0.00 H new ATOM 0 HA ALA A 46 21.443 21.468 30.606 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.462 20.113 30.840 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.344 21.067 29.342 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.756 19.337 29.266 1.00 0.00 H new ATOM 748 N GLY A 47 23.353 19.688 30.875 1.00 0.00 N ATOM 749 CA GLY A 47 24.190 18.789 31.638 1.00 0.00 C ATOM 750 C GLY A 47 25.227 17.974 30.861 1.00 0.00 C ATOM 751 O GLY A 47 26.145 17.360 31.398 1.00 0.00 O ATOM 0 H GLY A 47 23.778 20.604 30.728 1.00 0.00 H new ATOM 0 HA2 GLY A 47 24.716 19.374 32.392 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.542 18.093 32.170 1.00 0.00 H new ATOM 755 N LYS A 48 25.067 17.896 29.544 1.00 0.00 N ATOM 756 CA LYS A 48 25.771 17.073 28.584 1.00 0.00 C ATOM 757 C LYS A 48 25.923 17.724 27.200 1.00 0.00 C ATOM 758 O LYS A 48 25.347 18.795 26.999 1.00 0.00 O ATOM 759 CB LYS A 48 25.164 15.669 28.639 1.00 0.00 C ATOM 760 CG LYS A 48 23.771 15.539 28.030 1.00 0.00 C ATOM 761 CD LYS A 48 23.241 14.103 28.049 1.00 0.00 C ATOM 762 CE LYS A 48 21.834 13.936 27.473 1.00 0.00 C ATOM 763 NZ LYS A 48 21.586 12.507 27.265 1.00 0.00 N ATOM 0 H LYS A 48 24.364 18.472 29.080 1.00 0.00 H new ATOM 0 HA LYS A 48 26.822 16.973 28.854 1.00 0.00 H new ATOM 0 HB2 LYS A 48 25.834 14.981 28.124 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.119 15.351 29.680 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.081 16.182 28.575 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.796 15.898 27.001 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.927 13.469 27.487 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.243 13.742 29.078 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.093 14.354 28.154 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.743 14.478 26.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.632 12.374 26.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.290 12.126 26.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.660 12.006 28.173 1.00 0.00 H new ATOM 777 N GLN A 49 26.665 17.161 26.253 1.00 0.00 N ATOM 778 CA GLN A 49 27.069 17.719 24.988 1.00 0.00 C ATOM 779 C GLN A 49 26.326 17.102 23.803 1.00 0.00 C ATOM 780 O GLN A 49 26.044 15.909 23.715 1.00 0.00 O ATOM 781 CB GLN A 49 28.554 17.409 24.753 1.00 0.00 C ATOM 782 CG GLN A 49 29.614 18.088 25.621 1.00 0.00 C ATOM 783 CD GLN A 49 29.902 17.494 26.987 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.620 18.077 27.807 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.326 16.381 27.408 1.00 0.00 N ATOM 0 H GLN A 49 27.027 16.215 26.372 1.00 0.00 H new ATOM 0 HA GLN A 49 26.853 18.786 25.042 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.684 16.332 24.863 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.778 17.653 23.714 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.548 18.101 25.059 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.314 19.126 25.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.721 15.851 26.781 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.487 16.052 28.360 1.00 0.00 H new ATOM 794 N LEU A 50 26.028 17.954 22.828 1.00 0.00 N ATOM 795 CA LEU A 50 25.535 17.690 21.496 1.00 0.00 C ATOM 796 C LEU A 50 26.610 17.130 20.558 1.00 0.00 C ATOM 797 O LEU A 50 27.795 17.292 20.832 1.00 0.00 O ATOM 798 CB LEU A 50 25.067 19.010 20.879 1.00 0.00 C ATOM 799 CG LEU A 50 24.179 19.901 21.757 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.939 21.285 21.158 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.898 19.135 22.071 1.00 0.00 C ATOM 0 H LEU A 50 26.142 18.957 22.977 1.00 0.00 H new ATOM 0 HA LEU A 50 24.737 16.954 21.597 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.948 19.584 20.593 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.522 18.784 19.962 1.00 0.00 H new ATOM 0 HG LEU A 50 24.695 20.119 22.692 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.304 21.866 21.827 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.893 21.796 21.029 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.448 21.182 20.190 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.250 19.750 22.695 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.382 18.892 21.142 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.145 18.215 22.600 1.00 0.00 H new ATOM 813 N GLU A 51 26.189 16.592 19.416 1.00 0.00 N ATOM 814 CA GLU A 51 26.956 16.073 18.295 1.00 0.00 C ATOM 815 C GLU A 51 26.289 16.134 16.925 1.00 0.00 C ATOM 816 O GLU A 51 25.064 16.161 16.801 1.00 0.00 O ATOM 817 CB GLU A 51 27.323 14.651 18.716 1.00 0.00 C ATOM 818 CG GLU A 51 28.593 14.128 18.034 1.00 0.00 C ATOM 819 CD GLU A 51 28.801 12.636 18.284 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.779 11.942 18.455 1.00 0.00 O ATOM 821 OE2 GLU A 51 29.970 12.194 18.260 1.00 0.00 O ATOM 0 H GLU A 51 25.189 16.501 19.238 1.00 0.00 H new ATOM 0 HA GLU A 51 27.822 16.711 18.118 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.461 14.623 19.797 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.493 13.984 18.483 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.531 14.311 16.961 1.00 0.00 H new ATOM 0 HG3 GLU A 51 29.457 14.682 18.402 1.00 0.00 H new ATOM 828 N ASP A 52 27.156 16.248 15.916 1.00 0.00 N ATOM 829 CA ASP A 52 26.884 16.151 14.501 1.00 0.00 C ATOM 830 C ASP A 52 25.965 15.024 14.034 1.00 0.00 C ATOM 831 O ASP A 52 26.175 13.826 14.252 1.00 0.00 O ATOM 832 CB ASP A 52 28.179 16.227 13.698 1.00 0.00 C ATOM 833 CG ASP A 52 28.334 15.803 12.246 1.00 0.00 C ATOM 834 OD1 ASP A 52 27.387 16.071 11.463 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.429 15.338 11.879 1.00 0.00 O ATOM 0 H ASP A 52 28.144 16.425 16.095 1.00 0.00 H new ATOM 0 HA ASP A 52 26.270 17.027 14.293 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.496 17.269 13.740 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.913 15.647 14.258 1.00 0.00 H new ATOM 840 N GLY A 53 25.011 15.407 13.193 1.00 0.00 N ATOM 841 CA GLY A 53 24.108 14.521 12.500 1.00 0.00 C ATOM 842 C GLY A 53 22.639 14.789 12.829 1.00 0.00 C ATOM 843 O GLY A 53 21.742 14.324 12.131 1.00 0.00 O ATOM 0 H GLY A 53 24.846 16.389 12.972 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.259 14.625 11.426 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.350 13.490 12.758 1.00 0.00 H new ATOM 847 N ARG A 54 22.348 15.346 14.009 1.00 0.00 N ATOM 848 CA ARG A 54 21.126 15.487 14.766 1.00 0.00 C ATOM 849 C ARG A 54 20.577 16.891 14.532 1.00 0.00 C ATOM 850 O ARG A 54 21.304 17.829 14.231 1.00 0.00 O ATOM 851 CB ARG A 54 21.380 15.414 16.268 1.00 0.00 C ATOM 852 CG ARG A 54 21.456 13.999 16.857 1.00 0.00 C ATOM 853 CD ARG A 54 22.516 13.025 16.334 1.00 0.00 C ATOM 854 NE ARG A 54 22.000 12.273 15.187 1.00 0.00 N ATOM 855 CZ ARG A 54 22.664 11.547 14.277 1.00 0.00 C ATOM 856 NH1 ARG A 54 23.982 11.359 14.380 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.003 10.932 13.288 1.00 0.00 N ATOM 0 H ARG A 54 23.109 15.779 14.532 1.00 0.00 H new ATOM 0 HA ARG A 54 20.454 14.689 14.450 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.315 15.930 16.486 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.587 15.960 16.780 1.00 0.00 H new ATOM 0 HG2 ARG A 54 21.605 14.099 17.932 1.00 0.00 H new ATOM 0 HG3 ARG A 54 20.482 13.531 16.713 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.411 13.574 16.043 1.00 0.00 H new ATOM 0 HD3 ARG A 54 22.808 12.336 17.127 1.00 0.00 H new ATOM 0 HE ARG A 54 20.988 12.307 15.063 1.00 0.00 H new ATOM 0 HH11 ARG A 54 24.497 11.770 15.159 1.00 0.00 H new ATOM 0 HH12 ARG A 54 24.474 10.804 13.680 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.988 11.015 13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.514 10.381 12.598 1.00 0.00 H new ATOM 871 N THR A 55 19.294 17.030 14.889 1.00 0.00 N ATOM 872 CA THR A 55 18.674 18.341 14.992 1.00 0.00 C ATOM 873 C THR A 55 18.579 18.659 16.474 1.00 0.00 C ATOM 874 O THR A 55 18.725 17.795 17.342 1.00 0.00 O ATOM 875 CB THR A 55 17.348 18.360 14.220 1.00 0.00 C ATOM 876 OG1 THR A 55 16.394 17.556 14.882 1.00 0.00 O ATOM 877 CG2 THR A 55 17.274 17.878 12.772 1.00 0.00 C ATOM 0 H THR A 55 18.674 16.250 15.109 1.00 0.00 H new ATOM 0 HA THR A 55 19.257 19.134 14.523 1.00 0.00 H new ATOM 0 HB THR A 55 17.180 19.437 14.191 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.550 17.574 14.385 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.251 17.973 12.409 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.936 18.483 12.153 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.582 16.834 12.720 1.00 0.00 H new ATOM 885 N LEU A 56 18.161 19.895 16.729 1.00 0.00 N ATOM 886 CA LEU A 56 17.897 20.418 18.057 1.00 0.00 C ATOM 887 C LEU A 56 16.787 19.652 18.773 1.00 0.00 C ATOM 888 O LEU A 56 16.817 19.560 19.990 1.00 0.00 O ATOM 889 CB LEU A 56 17.568 21.900 17.874 1.00 0.00 C ATOM 890 CG LEU A 56 18.660 22.957 18.044 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.473 23.124 16.759 1.00 0.00 C ATOM 892 CD2 LEU A 56 18.052 24.287 18.488 1.00 0.00 C ATOM 0 H LEU A 56 17.993 20.578 15.991 1.00 0.00 H new ATOM 0 HA LEU A 56 18.766 20.295 18.704 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.157 22.018 16.871 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.771 22.143 18.576 1.00 0.00 H new ATOM 0 HG LEU A 56 19.344 22.618 18.822 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.242 23.882 16.911 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.944 22.176 16.501 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.813 23.433 15.949 1.00 0.00 H new ATOM 0 HD21 LEU A 56 18.843 25.028 18.604 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.341 24.631 17.737 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.538 24.152 19.440 1.00 0.00 H new ATOM 904 N SER A 57 15.756 19.149 18.084 1.00 0.00 N ATOM 905 CA SER A 57 14.638 18.408 18.632 1.00 0.00 C ATOM 906 C SER A 57 14.950 16.943 18.940 1.00 0.00 C ATOM 907 O SER A 57 14.144 16.391 19.697 1.00 0.00 O ATOM 908 CB SER A 57 13.518 18.560 17.607 1.00 0.00 C ATOM 909 OG SER A 57 13.815 17.789 16.464 1.00 0.00 O ATOM 0 H SER A 57 15.685 19.260 17.073 1.00 0.00 H new ATOM 0 HA SER A 57 14.360 18.807 19.608 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.570 18.239 18.039 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.403 19.608 17.331 1.00 0.00 H new ATOM 0 HG SER A 57 14.772 17.855 16.264 1.00 0.00 H new ATOM 915 N ASP A 58 16.100 16.428 18.534 1.00 0.00 N ATOM 916 CA ASP A 58 16.723 15.234 19.058 1.00 0.00 C ATOM 917 C ASP A 58 17.214 15.488 20.489 1.00 0.00 C ATOM 918 O ASP A 58 17.215 14.584 21.325 1.00 0.00 O ATOM 919 CB ASP A 58 17.930 14.777 18.245 1.00 0.00 C ATOM 920 CG ASP A 58 17.694 14.188 16.853 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.391 12.989 16.702 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.038 14.851 15.853 1.00 0.00 O ATOM 0 H ASP A 58 16.649 16.859 17.790 1.00 0.00 H new ATOM 0 HA ASP A 58 15.960 14.457 19.016 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.597 15.632 18.134 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.463 14.031 18.834 1.00 0.00 H new ATOM 927 N TYR A 59 17.602 16.726 20.752 1.00 0.00 N ATOM 928 CA TYR A 59 18.107 17.105 22.067 1.00 0.00 C ATOM 929 C TYR A 59 17.183 18.031 22.849 1.00 0.00 C ATOM 930 O TYR A 59 17.529 18.518 23.928 1.00 0.00 O ATOM 931 CB TYR A 59 19.467 17.766 21.876 1.00 0.00 C ATOM 932 CG TYR A 59 20.541 16.918 21.236 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.261 15.967 21.965 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.834 17.115 19.884 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.330 15.260 21.394 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.939 16.465 19.315 1.00 0.00 C ATOM 937 CZ TYR A 59 22.649 15.504 20.053 1.00 0.00 C ATOM 938 OH TYR A 59 23.711 15.009 19.352 1.00 0.00 O ATOM 0 H TYR A 59 17.578 17.487 20.074 1.00 0.00 H new ATOM 0 HA TYR A 59 18.177 16.196 22.664 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.330 18.660 21.268 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.827 18.095 22.851 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.988 15.772 22.992 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.214 17.763 19.282 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.893 14.545 21.975 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.245 16.704 18.307 1.00 0.00 H new ATOM 0 HH TYR A 59 23.744 15.430 18.467 1.00 0.00 H new ATOM 948 N ASN A 60 15.946 18.219 22.401 1.00 0.00 N ATOM 949 CA ASN A 60 14.923 18.790 23.261 1.00 0.00 C ATOM 950 C ASN A 60 14.879 20.313 23.369 1.00 0.00 C ATOM 951 O ASN A 60 14.081 20.921 24.079 1.00 0.00 O ATOM 952 CB ASN A 60 14.743 17.978 24.540 1.00 0.00 C ATOM 953 CG ASN A 60 14.616 16.464 24.379 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.447 15.697 24.863 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.523 16.036 23.756 1.00 0.00 N ATOM 0 H ASN A 60 15.633 17.987 21.459 1.00 0.00 H new ATOM 0 HA ASN A 60 13.982 18.668 22.725 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.591 18.181 25.194 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.852 18.342 25.052 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.347 15.035 23.664 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.860 16.708 23.369 1.00 0.00 H new ATOM 962 N ILE A 61 15.876 20.965 22.770 1.00 0.00 N ATOM 963 CA ILE A 61 16.326 22.306 23.097 1.00 0.00 C ATOM 964 C ILE A 61 15.201 23.236 22.630 1.00 0.00 C ATOM 965 O ILE A 61 14.743 23.099 21.509 1.00 0.00 O ATOM 966 CB ILE A 61 17.574 22.589 22.264 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.727 21.732 22.808 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.064 24.023 22.468 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.049 21.954 22.076 1.00 0.00 C ATOM 0 H ILE A 61 16.412 20.548 22.009 1.00 0.00 H new ATOM 0 HA ILE A 61 16.549 22.435 24.156 1.00 0.00 H new ATOM 0 HB ILE A 61 17.318 22.393 21.223 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.865 21.953 23.866 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.453 20.680 22.735 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.954 24.193 21.862 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.282 24.721 22.169 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.306 24.179 23.519 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.818 21.317 22.513 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.927 21.705 21.022 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.346 22.998 22.171 1.00 0.00 H new ATOM 981 N GLN A 62 14.806 24.222 23.436 1.00 0.00 N ATOM 982 CA GLN A 62 13.543 24.900 23.261 1.00 0.00 C ATOM 983 C GLN A 62 13.709 26.410 23.473 1.00 0.00 C ATOM 984 O GLN A 62 14.854 26.755 23.774 1.00 0.00 O ATOM 985 CB GLN A 62 12.349 24.381 24.067 1.00 0.00 C ATOM 986 CG GLN A 62 12.164 24.797 25.527 1.00 0.00 C ATOM 987 CD GLN A 62 12.895 24.036 26.623 1.00 0.00 C ATOM 988 OE1 GLN A 62 12.749 24.350 27.807 1.00 0.00 O ATOM 989 NE2 GLN A 62 13.711 23.039 26.293 1.00 0.00 N ATOM 0 H GLN A 62 15.358 24.564 24.223 1.00 0.00 H new ATOM 0 HA GLN A 62 13.277 24.669 22.230 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.446 24.674 23.531 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.394 23.292 24.045 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.455 25.844 25.607 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.098 24.745 25.749 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.830 22.781 25.314 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.217 22.533 27.019 1.00 0.00 H new ATOM 998 N LYS A 63 12.637 27.176 23.617 1.00 0.00 N ATOM 999 CA LYS A 63 12.626 28.541 24.122 1.00 0.00 C ATOM 1000 C LYS A 63 13.390 28.891 25.396 1.00 0.00 C ATOM 1001 O LYS A 63 13.150 28.269 26.437 1.00 0.00 O ATOM 1002 CB LYS A 63 11.155 28.978 24.087 1.00 0.00 C ATOM 1003 CG LYS A 63 10.154 28.108 24.846 1.00 0.00 C ATOM 1004 CD LYS A 63 9.893 28.471 26.303 1.00 0.00 C ATOM 1005 CE LYS A 63 9.054 27.434 27.041 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.739 27.273 26.386 1.00 0.00 N ATOM 0 H LYS A 63 11.704 26.845 23.372 1.00 0.00 H new ATOM 0 HA LYS A 63 13.260 29.138 23.467 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.093 29.991 24.485 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.840 29.025 23.044 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.204 28.140 24.313 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.505 27.077 24.811 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.847 28.590 26.817 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.386 29.435 26.345 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.578 26.478 27.058 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.916 27.740 28.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.142 26.641 26.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.278 28.201 26.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.871 26.864 25.439 1.00 0.00 H new ATOM 1020 N GLU A 64 14.470 29.654 25.301 1.00 0.00 N ATOM 1021 CA GLU A 64 15.336 30.209 26.323 1.00 0.00 C ATOM 1022 C GLU A 64 16.262 29.205 27.005 1.00 0.00 C ATOM 1023 O GLU A 64 16.544 29.391 28.184 1.00 0.00 O ATOM 1024 CB GLU A 64 14.649 31.095 27.368 1.00 0.00 C ATOM 1025 CG GLU A 64 14.184 32.354 26.647 1.00 0.00 C ATOM 1026 CD GLU A 64 13.652 33.375 27.651 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.045 32.974 28.668 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.565 34.590 27.337 1.00 0.00 O ATOM 0 H GLU A 64 14.800 29.933 24.377 1.00 0.00 H new ATOM 0 HA GLU A 64 15.961 30.867 25.720 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.804 30.575 27.820 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.338 31.345 28.175 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.012 32.785 26.084 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.405 32.102 25.927 1.00 0.00 H new ATOM 1035 N SER A 65 16.711 28.170 26.312 1.00 0.00 N ATOM 1036 CA SER A 65 17.710 27.197 26.707 1.00 0.00 C ATOM 1037 C SER A 65 19.057 27.918 26.722 1.00 0.00 C ATOM 1038 O SER A 65 19.350 28.658 25.778 1.00 0.00 O ATOM 1039 CB SER A 65 17.739 26.088 25.652 1.00 0.00 C ATOM 1040 OG SER A 65 16.710 25.148 25.875 1.00 0.00 O ATOM 0 H SER A 65 16.352 27.975 25.377 1.00 0.00 H new ATOM 0 HA SER A 65 17.493 26.767 27.685 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.629 26.524 24.659 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.706 25.586 25.674 1.00 0.00 H new ATOM 0 HG SER A 65 16.926 24.311 25.414 1.00 0.00 H new ATOM 1046 N THR A 66 19.765 27.948 27.836 1.00 0.00 N ATOM 1047 CA THR A 66 21.046 28.612 28.012 1.00 0.00 C ATOM 1048 C THR A 66 21.937 27.385 27.810 1.00 0.00 C ATOM 1049 O THR A 66 22.021 26.418 28.563 1.00 0.00 O ATOM 1050 CB THR A 66 21.223 29.308 29.364 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.349 30.418 29.379 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.595 29.979 29.461 1.00 0.00 C ATOM 0 H THR A 66 19.446 27.486 28.688 1.00 0.00 H new ATOM 0 HA THR A 66 21.238 29.457 27.350 1.00 0.00 H new ATOM 0 HB THR A 66 21.066 28.565 30.146 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.434 30.889 30.234 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.694 30.466 30.431 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.376 29.227 29.351 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.693 30.723 28.670 1.00 0.00 H new ATOM 1060 N LEU A 67 22.714 27.411 26.730 1.00 0.00 N ATOM 1061 CA LEU A 67 23.782 26.517 26.315 1.00 0.00 C ATOM 1062 C LEU A 67 25.108 27.137 26.779 1.00 0.00 C ATOM 1063 O LEU A 67 25.162 28.356 26.918 1.00 0.00 O ATOM 1064 CB LEU A 67 23.705 26.370 24.792 1.00 0.00 C ATOM 1065 CG LEU A 67 22.678 25.354 24.295 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.253 25.481 24.830 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.783 25.218 22.768 1.00 0.00 C ATOM 0 H LEU A 67 22.590 28.154 26.042 1.00 0.00 H new ATOM 0 HA LEU A 67 23.698 25.522 26.753 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.471 27.343 24.359 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.688 26.083 24.419 1.00 0.00 H new ATOM 0 HG LEU A 67 22.955 24.404 24.753 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.630 24.699 24.396 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.261 25.378 25.915 1.00 0.00 H new ATOM 0 HD13 LEU A 67 20.849 26.457 24.561 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.049 24.493 22.416 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.590 26.185 22.303 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.784 24.880 22.501 1.00 0.00 H new ATOM 1079 N HIS A 68 26.079 26.269 27.030 1.00 0.00 N ATOM 1080 CA HIS A 68 27.469 26.645 27.251 1.00 0.00 C ATOM 1081 C HIS A 68 28.418 26.037 26.218 1.00 0.00 C ATOM 1082 O HIS A 68 28.445 24.822 26.020 1.00 0.00 O ATOM 1083 CB HIS A 68 27.919 26.164 28.633 1.00 0.00 C ATOM 1084 CG HIS A 68 29.289 26.636 29.046 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.526 27.961 29.416 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.485 25.984 28.929 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.811 28.032 29.776 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.384 26.840 29.523 1.00 0.00 N ATOM 0 H HIS A 68 25.919 25.263 27.087 1.00 0.00 H new ATOM 0 HA HIS A 68 27.513 27.731 27.167 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.194 26.501 29.374 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.905 25.074 28.646 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.679 25.023 28.477 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.304 28.896 30.197 1.00 0.00 H new ATOM 0 HE2 HIS A 68 32.352 26.604 29.742 1.00 0.00 H new ATOM 1096 N LEU A 69 29.299 26.912 25.744 1.00 0.00 N ATOM 1097 CA LEU A 69 30.208 26.584 24.665 1.00 0.00 C ATOM 1098 C LEU A 69 31.534 26.293 25.360 1.00 0.00 C ATOM 1099 O LEU A 69 32.171 27.144 25.968 1.00 0.00 O ATOM 1100 CB LEU A 69 30.327 27.847 23.815 1.00 0.00 C ATOM 1101 CG LEU A 69 31.233 27.767 22.583 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.637 26.738 21.623 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.390 29.104 21.850 1.00 0.00 C ATOM 0 H LEU A 69 29.398 27.863 26.099 1.00 0.00 H new ATOM 0 HA LEU A 69 29.898 25.747 24.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.328 28.129 23.484 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.691 28.653 24.453 1.00 0.00 H new ATOM 0 HG LEU A 69 32.228 27.483 22.925 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.265 26.662 20.735 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.586 25.767 22.116 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.634 27.050 21.332 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.045 28.972 20.988 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.413 29.451 21.514 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.824 29.841 22.526 1.00 0.00 H new ATOM 1115 N VAL A 70 32.087 25.105 25.098 1.00 0.00 N ATOM 1116 CA VAL A 70 33.386 24.655 25.535 1.00 0.00 C ATOM 1117 C VAL A 70 34.114 23.866 24.449 1.00 0.00 C ATOM 1118 O VAL A 70 34.119 24.282 23.289 1.00 0.00 O ATOM 1119 CB VAL A 70 33.264 24.095 26.959 1.00 0.00 C ATOM 1120 CG1 VAL A 70 32.497 22.792 27.113 1.00 0.00 C ATOM 1121 CG2 VAL A 70 34.518 23.963 27.818 1.00 0.00 C ATOM 0 H VAL A 70 31.602 24.401 24.542 1.00 0.00 H new ATOM 0 HA VAL A 70 34.103 25.467 25.658 1.00 0.00 H new ATOM 0 HB VAL A 70 32.687 24.937 27.342 1.00 0.00 H new ATOM 0 HG11 VAL A 70 32.481 22.501 28.163 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.475 22.927 26.758 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.984 22.012 26.528 1.00 0.00 H new ATOM 0 HG21 VAL A 70 34.251 23.552 28.791 1.00 0.00 H new ATOM 0 HG22 VAL A 70 35.228 23.298 27.326 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.973 24.945 27.951 1.00 0.00 H new ATOM 1131 N LEU A 71 34.882 22.893 24.920 1.00 0.00 N ATOM 1132 CA LEU A 71 35.730 21.920 24.259 1.00 0.00 C ATOM 1133 C LEU A 71 35.819 20.622 25.066 1.00 0.00 C ATOM 1134 O LEU A 71 35.575 20.503 26.262 1.00 0.00 O ATOM 1135 CB LEU A 71 36.957 22.462 23.520 1.00 0.00 C ATOM 1136 CG LEU A 71 38.255 22.736 24.279 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.393 23.117 23.331 1.00 0.00 C ATOM 1138 CD2 LEU A 71 38.085 23.752 25.414 1.00 0.00 C ATOM 0 H LEU A 71 34.927 22.752 25.929 1.00 0.00 H new ATOM 0 HA LEU A 71 35.229 21.597 23.346 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.192 21.756 22.723 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.660 23.395 23.042 1.00 0.00 H new ATOM 0 HG LEU A 71 38.532 21.798 24.760 1.00 0.00 H new ATOM 0 HD11 LEU A 71 40.299 23.304 23.907 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.571 22.302 22.630 1.00 0.00 H new ATOM 0 HD13 LEU A 71 39.121 24.017 22.779 1.00 0.00 H new ATOM 0 HD21 LEU A 71 39.042 23.903 25.914 1.00 0.00 H new ATOM 0 HD22 LEU A 71 37.736 24.700 25.005 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.356 23.377 26.132 1.00 0.00 H new ATOM 1150 N ARG A 72 36.330 19.602 24.368 1.00 0.00 N ATOM 1151 CA ARG A 72 36.586 18.272 24.896 1.00 0.00 C ATOM 1152 C ARG A 72 37.714 18.368 25.912 1.00 0.00 C ATOM 1153 O ARG A 72 38.814 18.856 25.649 1.00 0.00 O ATOM 1154 CB ARG A 72 37.091 17.284 23.847 1.00 0.00 C ATOM 1155 CG ARG A 72 36.881 15.836 24.300 1.00 0.00 C ATOM 1156 CD ARG A 72 37.515 14.742 23.446 1.00 0.00 C ATOM 1157 NE ARG A 72 36.759 13.539 23.754 1.00 0.00 N ATOM 1158 CZ ARG A 72 37.242 12.354 24.154 1.00 0.00 C ATOM 1159 NH1 ARG A 72 38.517 12.050 24.447 1.00 0.00 N ATOM 1160 NH2 ARG A 72 36.303 11.411 24.296 1.00 0.00 N ATOM 0 H ARG A 72 36.584 19.691 23.384 1.00 0.00 H new ATOM 0 HA ARG A 72 35.637 17.921 25.301 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.569 17.452 22.905 1.00 0.00 H new ATOM 0 HB3 ARG A 72 38.150 17.459 23.660 1.00 0.00 H new ATOM 0 HG2 ARG A 72 37.267 15.740 25.315 1.00 0.00 H new ATOM 0 HG3 ARG A 72 35.808 15.649 24.348 1.00 0.00 H new ATOM 0 HD2 ARG A 72 37.455 14.985 22.385 1.00 0.00 H new ATOM 0 HD3 ARG A 72 38.571 14.617 23.685 1.00 0.00 H new ATOM 0 HE ARG A 72 35.746 13.604 23.654 1.00 0.00 H new ATOM 0 HH11 ARG A 72 39.241 12.764 24.374 1.00 0.00 H new ATOM 0 HH12 ARG A 72 38.761 11.105 24.743 1.00 0.00 H new ATOM 0 HH21 ARG A 72 35.326 11.631 24.103 1.00 0.00 H new ATOM 0 HH22 ARG A 72 36.565 10.472 24.597 1.00 0.00 H new ATOM 1174 N LEU A 73 37.490 17.978 27.164 1.00 0.00 N ATOM 1175 CA LEU A 73 38.331 17.936 28.349 1.00 0.00 C ATOM 1176 C LEU A 73 38.373 16.490 28.859 1.00 0.00 C ATOM 1177 O LEU A 73 38.111 16.302 30.050 1.00 0.00 O ATOM 1178 CB LEU A 73 38.144 18.981 29.448 1.00 0.00 C ATOM 1179 CG LEU A 73 38.768 20.351 29.151 1.00 0.00 C ATOM 1180 CD1 LEU A 73 37.857 21.309 28.388 1.00 0.00 C ATOM 1181 CD2 LEU A 73 39.301 20.990 30.438 1.00 0.00 C ATOM 0 H LEU A 73 36.561 17.629 27.401 1.00 0.00 H new ATOM 0 HA LEU A 73 39.310 18.270 28.005 1.00 0.00 H new ATOM 0 HB2 LEU A 73 37.077 19.115 29.624 1.00 0.00 H new ATOM 0 HB3 LEU A 73 38.574 18.595 30.373 1.00 0.00 H new ATOM 0 HG LEU A 73 39.600 20.158 28.474 1.00 0.00 H new ATOM 0 HD11 LEU A 73 38.378 22.252 28.221 1.00 0.00 H new ATOM 0 HD12 LEU A 73 37.588 20.868 27.428 1.00 0.00 H new ATOM 0 HD13 LEU A 73 36.953 21.492 28.969 1.00 0.00 H new ATOM 0 HD21 LEU A 73 39.740 21.961 30.208 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.482 21.121 31.146 1.00 0.00 H new ATOM 0 HD23 LEU A 73 40.061 20.344 30.878 1.00 0.00 H new ATOM 1193 N ARG A 74 38.695 15.577 27.943 1.00 0.00 N ATOM 1194 CA ARG A 74 38.941 14.157 28.116 1.00 0.00 C ATOM 1195 C ARG A 74 40.050 13.821 27.122 1.00 0.00 C ATOM 1196 O ARG A 74 39.934 14.228 25.968 1.00 0.00 O ATOM 1197 CB ARG A 74 37.687 13.279 28.112 1.00 0.00 C ATOM 1198 CG ARG A 74 37.779 11.826 28.581 1.00 0.00 C ATOM 1199 CD ARG A 74 36.506 11.048 28.893 1.00 0.00 C ATOM 1200 NE ARG A 74 36.549 9.706 28.312 1.00 0.00 N ATOM 1201 CZ ARG A 74 35.646 8.725 28.417 1.00 0.00 C ATOM 1202 NH1 ARG A 74 34.547 8.885 29.170 1.00 0.00 N ATOM 1203 NH2 ARG A 74 35.878 7.629 27.686 1.00 0.00 N ATOM 0 H ARG A 74 38.799 15.847 26.965 1.00 0.00 H new ATOM 0 HA ARG A 74 39.283 13.916 29.123 1.00 0.00 H new ATOM 0 HB2 ARG A 74 36.940 13.775 28.732 1.00 0.00 H new ATOM 0 HB3 ARG A 74 37.300 13.269 27.093 1.00 0.00 H new ATOM 0 HG2 ARG A 74 38.320 11.271 27.815 1.00 0.00 H new ATOM 0 HG3 ARG A 74 38.396 11.813 29.479 1.00 0.00 H new ATOM 0 HD2 ARG A 74 36.377 10.975 29.973 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.643 11.588 28.504 1.00 0.00 H new ATOM 0 HE ARG A 74 37.375 9.490 27.754 1.00 0.00 H new ATOM 0 HH11 ARG A 74 34.394 9.761 29.669 1.00 0.00 H new ATOM 0 HH12 ARG A 74 33.865 8.130 29.243 1.00 0.00 H new ATOM 0 HH21 ARG A 74 36.706 7.577 27.093 1.00 0.00 H new ATOM 0 HH22 ARG A 74 35.227 6.845 27.722 1.00 0.00 H new ATOM 1217 N GLY A 75 41.101 13.126 27.534 1.00 0.00 N ATOM 1218 CA GLY A 75 42.293 12.714 26.812 1.00 0.00 C ATOM 1219 C GLY A 75 42.296 11.193 26.663 1.00 0.00 C ATOM 1220 O GLY A 75 42.916 10.705 25.719 1.00 0.00 O ATOM 0 H GLY A 75 41.141 12.799 28.499 1.00 0.00 H new ATOM 0 HA2 GLY A 75 42.318 13.187 25.830 1.00 0.00 H new ATOM 0 HA3 GLY A 75 43.186 13.040 27.346 1.00 0.00 H new ATOM 1224 N GLY A 76 41.368 10.527 27.343 1.00 0.00 N ATOM 1225 CA GLY A 76 41.034 9.141 27.071 1.00 0.00 C ATOM 1226 C GLY A 76 39.608 9.162 26.543 1.00 0.00 C ATOM 1227 O GLY A 76 39.273 9.783 25.509 1.00 0.00 O ATOM 1228 OXT GLY A 76 38.737 8.565 27.207 1.00 0.00 O ATOM 0 H GLY A 76 40.826 10.940 28.102 1.00 0.00 H new ATOM 0 HA2 GLY A 76 41.717 8.709 26.339 1.00 0.00 H new ATOM 0 HA3 GLY A 76 41.109 8.535 27.974 1.00 0.00 H new TER 1232 GLY A 76