USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, 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 NoAdj-H: A 66 TPO H : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 6 LYS NZ :NH3+ 161:sc= -0.13 (180deg=-0.522) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -6.48! C(o=-6.6!,f=-14!) USER MOD Set 2.1: A 2 GLN : amide:sc= 0 K(o=-0.53,f=-2!) USER MOD Set 2.2: A 14 THR OG1 : rot -120:sc= -0.527 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= -0.71 (180deg=-1.76!) USER MOD Single : A 7 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.352 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 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -4.45! C(o=-4.5!,f=-13!) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc=0.000674 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -0.0116 (180deg=-0.211) USER MOD Single : A 31 GLN : amide:sc= -2.11 K(o=-2.1,f=-3) USER MOD Single : A 33 LYS NZ :NH3+ -122:sc= -5.12! (180deg=-6.23!) USER MOD Single : A 40 GLN : amide:sc=-0.00219 X(o=-0.0022,f=-0.34) USER MOD Single : A 41 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.5) 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= -0.535 USER MOD Single : A 60 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.4) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 139:sc= 0.228 (180deg=-1.44!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.270 28.253 2.295 1.00 0.00 N ATOM 2 CA MET A 1 27.481 29.319 1.616 1.00 0.00 C ATOM 3 C MET A 1 27.464 30.575 2.493 1.00 0.00 C ATOM 4 O MET A 1 28.057 31.582 2.162 1.00 0.00 O ATOM 5 CB MET A 1 26.045 28.823 1.389 1.00 0.00 C ATOM 6 CG MET A 1 25.361 29.664 0.305 1.00 0.00 C ATOM 7 SD MET A 1 25.090 31.346 0.920 1.00 0.00 S ATOM 8 CE MET A 1 24.417 32.042 -0.609 1.00 0.00 C ATOM 0 H1 MET A 1 27.847 27.325 2.091 1.00 0.00 H new ATOM 0 H2 MET A 1 29.250 28.271 1.947 1.00 0.00 H new ATOM 0 H3 MET A 1 28.265 28.418 3.322 1.00 0.00 H new ATOM 0 HA MET A 1 27.936 29.558 0.655 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.057 27.774 1.093 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.480 28.885 2.319 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.978 29.690 -0.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.410 29.211 0.025 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.175 33.094 -0.455 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.156 31.953 -1.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.514 31.499 -0.889 1.00 0.00 H new ATOM 20 N GLN A 2 26.790 30.522 3.609 1.00 0.00 N ATOM 21 CA GLN A 2 26.735 31.709 4.507 1.00 0.00 C ATOM 22 C GLN A 2 26.373 31.261 5.925 1.00 0.00 C ATOM 23 O GLN A 2 25.223 31.274 6.314 1.00 0.00 O ATOM 24 CB GLN A 2 25.677 32.688 3.994 1.00 0.00 C ATOM 25 CG GLN A 2 25.719 33.971 4.826 1.00 0.00 C ATOM 26 CD GLN A 2 24.685 34.962 4.290 1.00 0.00 C ATOM 27 OE1 GLN A 2 24.026 34.697 3.303 1.00 0.00 O ATOM 28 NE2 GLN A 2 24.513 36.103 4.900 1.00 0.00 N ATOM 0 H GLN A 2 26.274 29.706 3.938 1.00 0.00 H new ATOM 0 HA GLN A 2 27.708 32.200 4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.858 32.917 2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 2 24.688 32.235 4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 2 25.513 33.745 5.872 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.715 34.411 4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.065 36.327 5.728 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.827 36.771 4.549 1.00 0.00 H new ATOM 37 N ILE A 3 27.345 30.861 6.697 1.00 0.00 N ATOM 38 CA ILE A 3 27.056 30.409 8.087 1.00 0.00 C ATOM 39 C ILE A 3 26.847 31.628 8.988 1.00 0.00 C ATOM 40 O ILE A 3 27.633 32.556 8.985 1.00 0.00 O ATOM 41 CB ILE A 3 28.229 29.571 8.606 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.846 28.931 9.943 1.00 0.00 C ATOM 43 CG2 ILE A 3 29.456 30.467 8.803 1.00 0.00 C ATOM 44 CD1 ILE A 3 28.909 27.904 10.339 1.00 0.00 C ATOM 0 H ILE A 3 28.328 30.828 6.425 1.00 0.00 H new ATOM 0 HA ILE A 3 26.151 29.801 8.093 1.00 0.00 H new ATOM 0 HB ILE A 3 28.464 28.791 7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.760 29.697 10.714 1.00 0.00 H new ATOM 0 HG13 ILE A 3 26.872 28.449 9.862 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.288 29.868 9.172 1.00 0.00 H new ATOM 0 HG22 ILE A 3 29.731 30.922 7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.223 31.249 9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.637 27.448 11.291 1.00 0.00 H new ATOM 0 HD12 ILE A 3 28.973 27.132 9.572 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.875 28.399 10.437 1.00 0.00 H new ATOM 56 N PHE A 4 25.796 31.633 9.764 1.00 0.00 N ATOM 57 CA PHE A 4 25.533 32.789 10.672 1.00 0.00 C ATOM 58 C PHE A 4 26.184 32.523 12.030 1.00 0.00 C ATOM 59 O PHE A 4 26.394 31.390 12.416 1.00 0.00 O ATOM 60 CB PHE A 4 24.024 32.956 10.857 1.00 0.00 C ATOM 61 CG PHE A 4 23.411 33.457 9.571 1.00 0.00 C ATOM 62 CD1 PHE A 4 23.047 32.550 8.569 1.00 0.00 C ATOM 63 CD2 PHE A 4 23.206 34.829 9.381 1.00 0.00 C ATOM 64 CE1 PHE A 4 22.479 33.014 7.377 1.00 0.00 C ATOM 65 CE2 PHE A 4 22.638 35.293 8.190 1.00 0.00 C ATOM 66 CZ PHE A 4 22.274 34.387 7.188 1.00 0.00 C ATOM 0 H PHE A 4 25.105 30.884 9.809 1.00 0.00 H new ATOM 0 HA PHE A 4 25.950 33.698 10.238 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.574 32.004 11.140 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.822 33.658 11.666 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.205 31.492 8.716 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.486 35.529 10.154 1.00 0.00 H new ATOM 0 HE1 PHE A 4 22.199 32.314 6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.480 36.351 8.044 1.00 0.00 H new ATOM 0 HZ PHE A 4 21.835 34.746 6.269 1.00 0.00 H new ATOM 76 N VAL A 5 26.499 33.560 12.762 1.00 0.00 N ATOM 77 CA VAL A 5 27.133 33.377 14.103 1.00 0.00 C ATOM 78 C VAL A 5 26.564 34.416 15.071 1.00 0.00 C ATOM 79 O VAL A 5 26.848 35.593 14.968 1.00 0.00 O ATOM 80 CB VAL A 5 28.646 33.569 13.983 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.295 33.388 15.356 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.215 32.534 13.011 1.00 0.00 C ATOM 0 H VAL A 5 26.344 34.530 12.488 1.00 0.00 H new ATOM 0 HA VAL A 5 26.924 32.374 14.474 1.00 0.00 H new ATOM 0 HB VAL A 5 28.856 34.572 13.612 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.373 33.525 15.270 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.890 34.125 16.050 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.085 32.385 15.728 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.293 32.670 12.925 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.004 31.531 13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.754 32.662 12.032 1.00 0.00 H new ATOM 92 N LYS A 6 25.761 33.995 16.014 1.00 0.00 N ATOM 93 CA LYS A 6 25.173 34.961 16.990 1.00 0.00 C ATOM 94 C LYS A 6 26.030 34.986 18.256 1.00 0.00 C ATOM 95 O LYS A 6 26.151 34.002 18.956 1.00 0.00 O ATOM 96 CB LYS A 6 23.751 34.520 17.348 1.00 0.00 C ATOM 97 CG LYS A 6 22.869 34.580 16.100 1.00 0.00 C ATOM 98 CD LYS A 6 21.446 34.148 16.459 1.00 0.00 C ATOM 99 CE LYS A 6 20.557 34.232 15.217 1.00 0.00 C ATOM 100 NZ LYS A 6 21.055 33.280 14.185 1.00 0.00 N ATOM 0 H LYS A 6 25.487 33.022 16.150 1.00 0.00 H new ATOM 0 HA LYS A 6 25.145 35.957 16.547 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.763 33.507 17.749 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.343 35.166 18.126 1.00 0.00 H new ATOM 0 HG2 LYS A 6 22.862 35.592 15.695 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.273 33.929 15.325 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.451 33.129 16.847 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.049 34.787 17.247 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.526 33.995 15.478 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.561 35.248 14.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.302 33.093 13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.877 33.693 13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.335 32.388 14.641 1.00 0.00 H new ATOM 114 N THR A 7 26.629 36.107 18.552 1.00 0.00 N ATOM 115 CA THR A 7 27.481 36.200 19.772 1.00 0.00 C ATOM 116 C THR A 7 26.607 36.529 20.983 1.00 0.00 C ATOM 117 O THR A 7 25.559 37.132 20.858 1.00 0.00 O ATOM 118 CB THR A 7 28.518 37.309 19.583 1.00 0.00 C ATOM 119 OG1 THR A 7 29.200 37.113 18.354 1.00 0.00 O ATOM 120 CG2 THR A 7 29.520 37.277 20.737 1.00 0.00 C ATOM 0 H THR A 7 26.565 36.963 18.001 1.00 0.00 H new ATOM 0 HA THR A 7 27.986 35.248 19.935 1.00 0.00 H new ATOM 0 HB THR A 7 28.016 38.277 19.569 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.850 37.735 17.683 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.258 38.068 20.600 1.00 0.00 H new ATOM 0 HG22 THR A 7 28.994 37.430 21.680 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.023 36.310 20.755 1.00 0.00 H new ATOM 128 N LEU A 8 27.028 36.138 22.152 1.00 0.00 N ATOM 129 CA LEU A 8 26.221 36.431 23.370 1.00 0.00 C ATOM 130 C LEU A 8 25.964 37.938 23.457 1.00 0.00 C ATOM 131 O LEU A 8 24.935 38.376 23.929 1.00 0.00 O ATOM 132 CB LEU A 8 26.990 35.967 24.613 1.00 0.00 C ATOM 133 CG LEU A 8 26.108 36.094 25.866 1.00 0.00 C ATOM 134 CD1 LEU A 8 24.997 35.028 25.860 1.00 0.00 C ATOM 135 CD2 LEU A 8 26.984 35.915 27.111 1.00 0.00 C ATOM 0 H LEU A 8 27.896 35.628 22.318 1.00 0.00 H new ATOM 0 HA LEU A 8 25.269 35.903 23.316 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.307 34.932 24.487 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.893 36.565 24.734 1.00 0.00 H new ATOM 0 HG LEU A 8 25.640 37.079 25.873 1.00 0.00 H new ATOM 0 HD11 LEU A 8 24.385 35.136 26.755 1.00 0.00 H new ATOM 0 HD12 LEU A 8 24.373 35.158 24.976 1.00 0.00 H new ATOM 0 HD13 LEU A 8 25.446 34.035 25.845 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.367 36.003 28.005 1.00 0.00 H new ATOM 0 HD22 LEU A 8 27.452 34.931 27.088 1.00 0.00 H new ATOM 0 HD23 LEU A 8 27.757 36.684 27.126 1.00 0.00 H new ATOM 147 N THR A 9 26.896 38.733 23.005 1.00 0.00 N ATOM 148 CA THR A 9 26.709 40.211 23.063 1.00 0.00 C ATOM 149 C THR A 9 25.797 40.661 21.918 1.00 0.00 C ATOM 150 O THR A 9 25.436 41.816 21.817 1.00 0.00 O ATOM 151 CB THR A 9 28.068 40.903 22.930 1.00 0.00 C ATOM 152 OG1 THR A 9 28.657 40.550 21.687 1.00 0.00 O ATOM 153 CG2 THR A 9 28.981 40.458 24.074 1.00 0.00 C ATOM 0 H THR A 9 27.778 38.423 22.598 1.00 0.00 H new ATOM 0 HA THR A 9 26.253 40.479 24.016 1.00 0.00 H new ATOM 0 HB THR A 9 27.933 41.984 22.974 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.526 40.994 21.599 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.949 40.950 23.980 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.528 40.728 25.028 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.118 39.378 24.031 1.00 0.00 H new ATOM 161 N GLY A 10 25.417 39.754 21.056 1.00 0.00 N ATOM 162 CA GLY A 10 24.526 40.123 19.912 1.00 0.00 C ATOM 163 C GLY A 10 25.371 40.400 18.668 1.00 0.00 C ATOM 164 O GLY A 10 24.879 40.394 17.558 1.00 0.00 O ATOM 0 H GLY A 10 25.685 38.771 21.094 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.822 39.316 19.712 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.937 41.004 20.167 1.00 0.00 H new ATOM 168 N LYS A 11 26.643 40.639 18.842 1.00 0.00 N ATOM 169 CA LYS A 11 27.513 40.911 17.662 1.00 0.00 C ATOM 170 C LYS A 11 27.302 39.806 16.625 1.00 0.00 C ATOM 171 O LYS A 11 27.669 38.667 16.834 1.00 0.00 O ATOM 172 CB LYS A 11 28.981 40.940 18.095 1.00 0.00 C ATOM 173 CG LYS A 11 29.219 42.144 19.009 1.00 0.00 C ATOM 174 CD LYS A 11 30.685 42.170 19.446 1.00 0.00 C ATOM 175 CE LYS A 11 30.924 43.375 20.358 1.00 0.00 C ATOM 176 NZ LYS A 11 32.350 43.397 20.789 1.00 0.00 N ATOM 0 H LYS A 11 27.115 40.658 19.746 1.00 0.00 H new ATOM 0 HA LYS A 11 27.254 41.877 17.229 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.236 40.018 18.617 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.628 41.000 17.220 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.968 43.067 18.486 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.569 42.086 19.882 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.936 41.248 19.971 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.335 42.227 18.573 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.678 44.297 19.832 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.271 43.321 21.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.513 44.216 21.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.570 42.522 21.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.964 43.468 19.953 1.00 0.00 H new ATOM 190 N THR A 12 26.699 40.132 15.509 1.00 0.00 N ATOM 191 CA THR A 12 26.446 39.099 14.459 1.00 0.00 C ATOM 192 C THR A 12 27.602 39.081 13.456 1.00 0.00 C ATOM 193 O THR A 12 28.126 40.109 13.074 1.00 0.00 O ATOM 194 CB THR A 12 25.148 39.433 13.723 1.00 0.00 C ATOM 195 OG1 THR A 12 24.066 39.424 14.646 1.00 0.00 O ATOM 196 CG2 THR A 12 24.895 38.391 12.631 1.00 0.00 C ATOM 0 H THR A 12 26.371 41.070 15.280 1.00 0.00 H new ATOM 0 HA THR A 12 26.364 38.120 14.932 1.00 0.00 H new ATOM 0 HB THR A 12 25.232 40.420 13.269 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.233 39.640 14.176 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.970 38.630 12.107 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.724 38.397 11.924 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.811 37.403 13.083 1.00 0.00 H new ATOM 204 N ILE A 13 27.996 37.912 13.023 1.00 0.00 N ATOM 205 CA ILE A 13 29.109 37.798 12.034 1.00 0.00 C ATOM 206 C ILE A 13 28.779 36.667 11.057 1.00 0.00 C ATOM 207 O ILE A 13 28.315 35.618 11.454 1.00 0.00 O ATOM 208 CB ILE A 13 30.415 37.475 12.763 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.625 38.473 13.906 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.587 37.575 11.783 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.956 38.182 14.602 1.00 0.00 C ATOM 0 H ILE A 13 27.590 37.023 13.315 1.00 0.00 H new ATOM 0 HA ILE A 13 29.225 38.739 11.495 1.00 0.00 H new ATOM 0 HB ILE A 13 30.362 36.464 13.167 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.621 39.492 13.518 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.805 38.400 14.621 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.517 37.345 12.303 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.442 36.866 10.968 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.638 38.586 11.379 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.104 38.893 15.415 1.00 0.00 H new ATOM 0 HD12 ILE A 13 31.943 37.169 15.004 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.770 38.277 13.884 1.00 0.00 H new ATOM 223 N THR A 14 29.014 36.874 9.782 1.00 0.00 N ATOM 224 CA THR A 14 28.715 35.813 8.765 1.00 0.00 C ATOM 225 C THR A 14 30.002 35.455 8.019 1.00 0.00 C ATOM 226 O THR A 14 30.769 36.317 7.641 1.00 0.00 O ATOM 227 CB THR A 14 27.682 36.344 7.768 1.00 0.00 C ATOM 228 OG1 THR A 14 27.637 35.488 6.635 1.00 0.00 O ATOM 229 CG2 THR A 14 28.070 37.757 7.327 1.00 0.00 C ATOM 0 H THR A 14 29.402 37.737 9.400 1.00 0.00 H new ATOM 0 HA THR A 14 28.320 34.927 9.263 1.00 0.00 H new ATOM 0 HB THR A 14 26.701 36.372 8.243 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.867 35.998 5.830 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.333 38.132 6.617 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.103 38.413 8.197 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.051 37.734 6.852 1.00 0.00 H new ATOM 237 N LEU A 15 30.241 34.183 7.812 1.00 0.00 N ATOM 238 CA LEU A 15 31.478 33.738 7.094 1.00 0.00 C ATOM 239 C LEU A 15 31.080 32.949 5.845 1.00 0.00 C ATOM 240 O LEU A 15 30.497 31.888 5.932 1.00 0.00 O ATOM 241 CB LEU A 15 32.299 32.829 8.016 1.00 0.00 C ATOM 242 CG LEU A 15 32.450 33.480 9.396 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.176 32.515 10.337 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.259 34.777 9.267 1.00 0.00 C ATOM 0 H LEU A 15 29.626 33.426 8.112 1.00 0.00 H new ATOM 0 HA LEU A 15 32.069 34.609 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.810 31.860 8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 15 33.282 32.648 7.581 1.00 0.00 H new ATOM 0 HG LEU A 15 31.464 33.709 9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.284 32.976 11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.599 31.595 10.430 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.162 32.286 9.933 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.365 35.239 10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.246 34.552 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.741 35.464 8.597 1.00 0.00 H new ATOM 256 N GLU A 16 31.389 33.455 4.679 1.00 0.00 N ATOM 257 CA GLU A 16 31.023 32.725 3.429 1.00 0.00 C ATOM 258 C GLU A 16 32.175 31.804 3.021 1.00 0.00 C ATOM 259 O GLU A 16 33.235 32.252 2.631 1.00 0.00 O ATOM 260 CB GLU A 16 30.765 33.738 2.310 1.00 0.00 C ATOM 261 CG GLU A 16 29.483 34.516 2.615 1.00 0.00 C ATOM 262 CD GLU A 16 29.299 35.621 1.574 1.00 0.00 C ATOM 263 OE1 GLU A 16 30.217 35.843 0.804 1.00 0.00 O ATOM 264 OE2 GLU A 16 28.239 36.228 1.565 1.00 0.00 O ATOM 0 H GLU A 16 31.877 34.339 4.539 1.00 0.00 H new ATOM 0 HA GLU A 16 30.125 32.131 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.608 34.424 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.673 33.224 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 16 28.625 33.844 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.536 34.948 3.614 1.00 0.00 H new ATOM 271 N VAL A 17 31.970 30.519 3.099 1.00 0.00 N ATOM 272 CA VAL A 17 33.045 29.565 2.705 1.00 0.00 C ATOM 273 C VAL A 17 32.433 28.189 2.454 1.00 0.00 C ATOM 274 O VAL A 17 31.413 27.842 3.019 1.00 0.00 O ATOM 275 CB VAL A 17 34.086 29.470 3.823 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.394 29.113 5.140 1.00 0.00 C ATOM 277 CG2 VAL A 17 35.110 28.386 3.475 1.00 0.00 C ATOM 0 H VAL A 17 31.103 30.087 3.419 1.00 0.00 H new ATOM 0 HA VAL A 17 33.529 29.919 1.795 1.00 0.00 H new ATOM 0 HB VAL A 17 34.592 30.430 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 17 34.137 29.046 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.665 29.884 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.886 28.154 5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.852 28.317 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.603 27.427 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.605 28.641 2.538 1.00 0.00 H new ATOM 287 N GLU A 18 33.043 27.403 1.610 1.00 0.00 N ATOM 288 CA GLU A 18 32.498 26.045 1.315 1.00 0.00 C ATOM 289 C GLU A 18 32.089 25.354 2.634 1.00 0.00 C ATOM 290 O GLU A 18 32.926 25.128 3.487 1.00 0.00 O ATOM 291 CB GLU A 18 33.583 25.207 0.631 1.00 0.00 C ATOM 292 CG GLU A 18 33.843 25.744 -0.779 1.00 0.00 C ATOM 293 CD GLU A 18 34.557 27.093 -0.691 1.00 0.00 C ATOM 294 OE1 GLU A 18 35.245 27.315 0.293 1.00 0.00 O ATOM 295 OE2 GLU A 18 34.405 27.883 -1.608 1.00 0.00 O ATOM 0 H GLU A 18 33.899 27.643 1.109 1.00 0.00 H new ATOM 0 HA GLU A 18 31.629 26.136 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.502 25.238 1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.272 24.164 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.451 25.036 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.901 25.854 -1.316 1.00 0.00 H new ATOM 302 N PRO A 19 30.827 25.018 2.821 1.00 0.00 N ATOM 303 CA PRO A 19 30.363 24.350 4.073 1.00 0.00 C ATOM 304 C PRO A 19 31.328 23.255 4.549 1.00 0.00 C ATOM 305 O PRO A 19 31.370 22.921 5.715 1.00 0.00 O ATOM 306 CB PRO A 19 29.014 23.748 3.673 1.00 0.00 C ATOM 307 CG PRO A 19 28.479 24.681 2.635 1.00 0.00 C ATOM 308 CD PRO A 19 29.701 25.229 1.883 1.00 0.00 C ATOM 0 HA PRO A 19 30.302 25.047 4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.132 22.739 3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.342 23.678 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 19 27.804 24.161 1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.909 25.489 3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.861 24.700 0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.578 26.284 1.638 1.00 0.00 H new ATOM 316 N SER A 20 32.100 22.695 3.662 1.00 0.00 N ATOM 317 CA SER A 20 33.049 21.628 4.081 1.00 0.00 C ATOM 318 C SER A 20 34.242 22.260 4.801 1.00 0.00 C ATOM 319 O SER A 20 35.245 21.620 5.040 1.00 0.00 O ATOM 320 CB SER A 20 33.538 20.862 2.850 1.00 0.00 C ATOM 321 OG SER A 20 32.433 20.597 1.996 1.00 0.00 O ATOM 0 H SER A 20 32.115 22.928 2.669 1.00 0.00 H new ATOM 0 HA SER A 20 32.543 20.938 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.291 21.445 2.320 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.012 19.928 3.152 1.00 0.00 H new ATOM 0 HG SER A 20 32.741 20.108 1.205 1.00 0.00 H new ATOM 327 N ASP A 21 34.138 23.514 5.152 1.00 0.00 N ATOM 328 CA ASP A 21 35.266 24.184 5.859 1.00 0.00 C ATOM 329 C ASP A 21 35.619 23.383 7.113 1.00 0.00 C ATOM 330 O ASP A 21 34.848 22.567 7.573 1.00 0.00 O ATOM 331 CB ASP A 21 34.849 25.605 6.261 1.00 0.00 C ATOM 332 CG ASP A 21 36.092 26.453 6.545 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.187 25.930 6.416 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.928 27.611 6.890 1.00 0.00 O ATOM 0 H ASP A 21 33.322 24.102 4.980 1.00 0.00 H new ATOM 0 HA ASP A 21 36.132 24.235 5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.262 26.060 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.212 25.570 7.145 1.00 0.00 H new ATOM 339 N THR A 22 36.775 23.617 7.676 1.00 0.00 N ATOM 340 CA THR A 22 37.176 22.873 8.910 1.00 0.00 C ATOM 341 C THR A 22 36.936 23.758 10.132 1.00 0.00 C ATOM 342 O THR A 22 37.121 24.959 10.089 1.00 0.00 O ATOM 343 CB THR A 22 38.664 22.522 8.827 1.00 0.00 C ATOM 344 OG1 THR A 22 39.426 23.716 8.724 1.00 0.00 O ATOM 345 CG2 THR A 22 38.916 21.645 7.599 1.00 0.00 C ATOM 0 H THR A 22 37.460 24.291 7.336 1.00 0.00 H new ATOM 0 HA THR A 22 36.587 21.960 8.996 1.00 0.00 H new ATOM 0 HB THR A 22 38.960 21.979 9.725 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.379 23.493 8.673 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.976 21.396 7.541 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.332 20.728 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.621 22.185 6.699 1.00 0.00 H new ATOM 353 N ILE A 23 36.508 23.178 11.220 1.00 0.00 N ATOM 354 CA ILE A 23 36.236 23.991 12.440 1.00 0.00 C ATOM 355 C ILE A 23 37.426 24.913 12.718 1.00 0.00 C ATOM 356 O ILE A 23 37.267 26.052 13.111 1.00 0.00 O ATOM 357 CB ILE A 23 36.012 23.054 13.622 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.693 22.308 13.406 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.935 23.864 14.919 1.00 0.00 C ATOM 360 CD1 ILE A 23 34.564 21.173 14.419 1.00 0.00 C ATOM 0 H ILE A 23 36.335 22.177 11.317 1.00 0.00 H new ATOM 0 HA ILE A 23 35.346 24.601 12.288 1.00 0.00 H new ATOM 0 HB ILE A 23 36.837 22.346 13.697 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.855 22.997 13.510 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.653 21.909 12.393 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.775 23.190 15.760 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.868 24.409 15.063 1.00 0.00 H new ATOM 0 HG23 ILE A 23 35.107 24.571 14.858 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.623 20.647 14.258 1.00 0.00 H new ATOM 0 HD12 ILE A 23 35.394 20.478 14.294 1.00 0.00 H new ATOM 0 HD13 ILE A 23 34.583 21.583 15.429 1.00 0.00 H new ATOM 372 N GLU A 24 38.613 24.424 12.515 1.00 0.00 N ATOM 373 CA GLU A 24 39.822 25.256 12.757 1.00 0.00 C ATOM 374 C GLU A 24 39.705 26.558 11.965 1.00 0.00 C ATOM 375 O GLU A 24 40.109 27.612 12.415 1.00 0.00 O ATOM 376 CB GLU A 24 41.060 24.486 12.296 1.00 0.00 C ATOM 377 CG GLU A 24 40.983 23.041 12.797 1.00 0.00 C ATOM 378 CD GLU A 24 40.780 23.038 14.314 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.637 23.042 14.739 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.773 23.034 15.023 1.00 0.00 O ATOM 0 H GLU A 24 38.801 23.476 12.189 1.00 0.00 H new ATOM 0 HA GLU A 24 39.908 25.484 13.819 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.126 24.501 11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.962 24.966 12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.161 22.519 12.308 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.898 22.506 12.541 1.00 0.00 H new ATOM 387 N ASN A 25 39.146 26.493 10.788 1.00 0.00 N ATOM 388 CA ASN A 25 38.994 27.723 9.968 1.00 0.00 C ATOM 389 C ASN A 25 38.038 28.674 10.682 1.00 0.00 C ATOM 390 O ASN A 25 38.229 29.874 10.697 1.00 0.00 O ATOM 391 CB ASN A 25 38.426 27.355 8.596 1.00 0.00 C ATOM 392 CG ASN A 25 38.233 28.625 7.766 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.256 29.328 7.928 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.130 28.948 6.876 1.00 0.00 N ATOM 0 H ASN A 25 38.788 25.639 10.360 1.00 0.00 H new ATOM 0 HA ASN A 25 39.963 28.204 9.835 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.102 26.671 8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.475 26.836 8.712 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.011 29.792 6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.950 28.357 6.741 1.00 0.00 H new ATOM 401 N VAL A 26 37.011 28.140 11.282 1.00 0.00 N ATOM 402 CA VAL A 26 36.039 29.001 12.005 1.00 0.00 C ATOM 403 C VAL A 26 36.725 29.609 13.230 1.00 0.00 C ATOM 404 O VAL A 26 36.892 30.807 13.326 1.00 0.00 O ATOM 405 CB VAL A 26 34.854 28.148 12.456 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.736 29.056 12.961 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.348 27.320 11.275 1.00 0.00 C ATOM 0 H VAL A 26 36.804 27.141 11.302 1.00 0.00 H new ATOM 0 HA VAL A 26 35.687 29.797 11.349 1.00 0.00 H new ATOM 0 HB VAL A 26 35.168 27.482 13.259 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.891 28.448 13.283 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.099 29.647 13.802 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.419 29.723 12.159 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.503 26.710 11.594 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.033 27.986 10.472 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.148 26.672 10.916 1.00 0.00 H new ATOM 417 N LYS A 27 37.130 28.785 14.161 1.00 0.00 N ATOM 418 CA LYS A 27 37.814 29.291 15.383 1.00 0.00 C ATOM 419 C LYS A 27 38.825 30.381 15.004 1.00 0.00 C ATOM 420 O LYS A 27 39.047 31.319 15.744 1.00 0.00 O ATOM 421 CB LYS A 27 38.543 28.124 16.052 1.00 0.00 C ATOM 422 CG LYS A 27 37.520 27.146 16.629 1.00 0.00 C ATOM 423 CD LYS A 27 38.236 26.121 17.514 1.00 0.00 C ATOM 424 CE LYS A 27 37.201 25.231 18.206 1.00 0.00 C ATOM 425 NZ LYS A 27 37.897 24.267 19.105 1.00 0.00 N ATOM 0 H LYS A 27 37.014 27.772 14.124 1.00 0.00 H new ATOM 0 HA LYS A 27 37.080 29.717 16.067 1.00 0.00 H new ATOM 0 HB2 LYS A 27 39.179 27.616 15.327 1.00 0.00 H new ATOM 0 HB3 LYS A 27 39.194 28.494 16.844 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.773 27.686 17.211 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.990 26.639 15.822 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.910 25.512 16.911 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.848 26.632 18.258 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.505 25.843 18.780 1.00 0.00 H new ATOM 0 HE3 LYS A 27 36.613 24.692 17.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 37.349 23.385 19.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 38.845 24.064 18.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 37.983 24.679 20.056 1.00 0.00 H new ATOM 439 N ALA A 28 39.437 30.257 13.861 1.00 0.00 N ATOM 440 CA ALA A 28 40.436 31.279 13.431 1.00 0.00 C ATOM 441 C ALA A 28 39.725 32.597 13.100 1.00 0.00 C ATOM 442 O ALA A 28 40.027 33.633 13.658 1.00 0.00 O ATOM 443 CB ALA A 28 41.175 30.768 12.192 1.00 0.00 C ATOM 0 H ALA A 28 39.290 29.491 13.203 1.00 0.00 H new ATOM 0 HA ALA A 28 41.148 31.453 14.238 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.907 31.510 11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.685 29.835 12.432 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.460 30.594 11.388 1.00 0.00 H new ATOM 449 N LYS A 29 38.792 32.569 12.186 1.00 0.00 N ATOM 450 CA LYS A 29 38.074 33.821 11.811 1.00 0.00 C ATOM 451 C LYS A 29 37.485 34.478 13.064 1.00 0.00 C ATOM 452 O LYS A 29 37.368 35.681 13.151 1.00 0.00 O ATOM 453 CB LYS A 29 36.955 33.487 10.823 1.00 0.00 C ATOM 454 CG LYS A 29 37.564 33.213 9.435 1.00 0.00 C ATOM 455 CD LYS A 29 36.603 32.361 8.607 1.00 0.00 C ATOM 456 CE LYS A 29 37.257 32.004 7.270 1.00 0.00 C ATOM 457 NZ LYS A 29 37.387 33.230 6.435 1.00 0.00 N ATOM 0 H LYS A 29 38.496 31.733 11.683 1.00 0.00 H new ATOM 0 HA LYS A 29 38.773 34.515 11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.399 32.615 11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.247 34.314 10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.763 34.154 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.520 32.700 9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.345 31.453 9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.674 32.905 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.239 31.562 7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.658 31.258 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.605 32.961 5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.493 33.762 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.153 33.825 6.809 1.00 0.00 H new ATOM 471 N ILE A 30 37.135 33.696 14.044 1.00 0.00 N ATOM 472 CA ILE A 30 36.578 34.281 15.297 1.00 0.00 C ATOM 473 C ILE A 30 37.750 34.824 16.129 1.00 0.00 C ATOM 474 O ILE A 30 37.862 36.010 16.359 1.00 0.00 O ATOM 475 CB ILE A 30 35.807 33.185 16.067 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.368 33.088 15.534 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.750 33.524 17.564 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.371 32.981 14.006 1.00 0.00 C ATOM 0 H ILE A 30 37.209 32.679 14.034 1.00 0.00 H new ATOM 0 HA ILE A 30 35.885 35.094 15.080 1.00 0.00 H new ATOM 0 HB ILE A 30 36.326 32.237 15.925 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.872 32.218 15.965 1.00 0.00 H new ATOM 0 HG13 ILE A 30 33.799 33.965 15.842 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.204 32.743 18.093 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.763 33.591 17.961 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.242 34.479 17.702 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.345 32.913 13.644 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.848 33.864 13.580 1.00 0.00 H new ATOM 0 HD13 ILE A 30 34.922 32.090 13.705 1.00 0.00 H new ATOM 490 N GLN A 31 38.608 33.952 16.582 1.00 0.00 N ATOM 491 CA GLN A 31 39.777 34.375 17.404 1.00 0.00 C ATOM 492 C GLN A 31 40.385 35.672 16.850 1.00 0.00 C ATOM 493 O GLN A 31 40.672 36.595 17.583 1.00 0.00 O ATOM 494 CB GLN A 31 40.819 33.257 17.357 1.00 0.00 C ATOM 495 CG GLN A 31 42.109 33.720 18.026 1.00 0.00 C ATOM 496 CD GLN A 31 43.031 32.520 18.251 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.696 32.431 19.265 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.099 31.587 17.342 1.00 0.00 N ATOM 0 H GLN A 31 38.547 32.948 16.414 1.00 0.00 H new ATOM 0 HA GLN A 31 39.458 34.560 18.430 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.436 32.370 17.861 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.016 32.975 16.323 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.607 34.462 17.403 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.884 34.202 18.977 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.541 31.662 16.491 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.710 30.782 17.482 1.00 0.00 H new ATOM 507 N ASP A 32 40.598 35.736 15.567 1.00 0.00 N ATOM 508 CA ASP A 32 41.209 36.966 14.971 1.00 0.00 C ATOM 509 C ASP A 32 40.209 38.131 14.988 1.00 0.00 C ATOM 510 O ASP A 32 40.505 39.210 15.460 1.00 0.00 O ATOM 511 CB ASP A 32 41.620 36.673 13.526 1.00 0.00 C ATOM 512 CG ASP A 32 42.819 35.725 13.517 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.420 35.552 14.566 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.118 35.188 12.463 1.00 0.00 O ATOM 0 H ASP A 32 40.378 34.994 14.902 1.00 0.00 H new ATOM 0 HA ASP A 32 42.081 37.246 15.561 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.787 36.227 12.983 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.873 37.601 13.014 1.00 0.00 H new ATOM 519 N LYS A 33 39.041 37.931 14.444 1.00 0.00 N ATOM 520 CA LYS A 33 38.042 39.038 14.396 1.00 0.00 C ATOM 521 C LYS A 33 37.719 39.540 15.806 1.00 0.00 C ATOM 522 O LYS A 33 37.579 40.727 16.026 1.00 0.00 O ATOM 523 CB LYS A 33 36.773 38.539 13.721 1.00 0.00 C ATOM 524 CG LYS A 33 37.042 38.346 12.228 1.00 0.00 C ATOM 525 CD LYS A 33 35.814 37.724 11.564 1.00 0.00 C ATOM 526 CE LYS A 33 36.073 37.565 10.065 1.00 0.00 C ATOM 527 NZ LYS A 33 34.874 36.963 9.415 1.00 0.00 N ATOM 0 H LYS A 33 38.734 37.050 14.031 1.00 0.00 H new ATOM 0 HA LYS A 33 38.462 39.867 13.827 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.453 37.599 14.170 1.00 0.00 H new ATOM 0 HB3 LYS A 33 35.963 39.254 13.868 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.274 39.304 11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.911 37.703 12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.597 36.754 12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 33 34.940 38.354 11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.294 38.534 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.945 36.932 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.145 36.079 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 34.153 36.760 10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 34.487 37.629 8.717 1.00 0.00 H new ATOM 541 N GLU A 34 37.604 38.663 16.768 1.00 0.00 N ATOM 542 CA GLU A 34 37.295 39.119 18.160 1.00 0.00 C ATOM 543 C GLU A 34 38.605 39.328 18.929 1.00 0.00 C ATOM 544 O GLU A 34 38.659 40.068 19.890 1.00 0.00 O ATOM 545 CB GLU A 34 36.443 38.061 18.869 1.00 0.00 C ATOM 546 CG GLU A 34 35.380 37.530 17.905 1.00 0.00 C ATOM 547 CD GLU A 34 34.545 38.696 17.373 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.918 39.248 16.352 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.547 39.017 17.998 1.00 0.00 O ATOM 0 H GLU A 34 37.710 37.655 16.654 1.00 0.00 H new ATOM 0 HA GLU A 34 36.743 40.058 18.122 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.075 37.243 19.216 1.00 0.00 H new ATOM 0 HB3 GLU A 34 35.967 38.493 19.750 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.855 37.002 17.078 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.738 36.812 18.415 1.00 0.00 H new ATOM 556 N GLY A 35 39.657 38.678 18.513 1.00 0.00 N ATOM 557 CA GLY A 35 40.960 38.837 19.224 1.00 0.00 C ATOM 558 C GLY A 35 40.860 38.182 20.600 1.00 0.00 C ATOM 559 O GLY A 35 41.636 38.460 21.494 1.00 0.00 O ATOM 0 H GLY A 35 39.672 38.045 17.714 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.762 38.378 18.646 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.206 39.894 19.327 1.00 0.00 H new ATOM 563 N ILE A 36 39.894 37.320 20.777 1.00 0.00 N ATOM 564 CA ILE A 36 39.702 36.640 22.083 1.00 0.00 C ATOM 565 C ILE A 36 40.253 35.203 22.008 1.00 0.00 C ATOM 566 O ILE A 36 39.653 34.352 21.382 1.00 0.00 O ATOM 567 CB ILE A 36 38.210 36.584 22.360 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.628 37.990 22.204 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.986 36.090 23.783 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.139 37.956 22.505 1.00 0.00 C ATOM 0 H ILE A 36 39.221 37.057 20.057 1.00 0.00 H new ATOM 0 HA ILE A 36 40.226 37.181 22.871 1.00 0.00 H new ATOM 0 HB ILE A 36 37.721 35.905 21.661 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.131 38.681 22.880 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.797 38.355 21.191 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.917 36.047 23.989 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.417 35.095 23.895 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.464 36.774 24.485 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.722 38.957 22.394 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.643 37.278 21.811 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.982 37.609 23.526 1.00 0.00 H new ATOM 582 N PRO A 37 41.377 34.919 22.632 1.00 0.00 N ATOM 583 CA PRO A 37 41.969 33.546 22.604 1.00 0.00 C ATOM 584 C PRO A 37 40.914 32.455 22.898 1.00 0.00 C ATOM 585 O PRO A 37 40.292 32.472 23.942 1.00 0.00 O ATOM 586 CB PRO A 37 43.020 33.596 23.722 1.00 0.00 C ATOM 587 CG PRO A 37 43.450 35.025 23.770 1.00 0.00 C ATOM 588 CD PRO A 37 42.208 35.850 23.421 1.00 0.00 C ATOM 0 HA PRO A 37 42.379 33.291 21.627 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.600 33.276 24.676 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.860 32.936 23.506 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.827 35.286 24.759 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.256 35.214 23.061 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.688 36.189 24.317 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.467 36.740 22.847 1.00 0.00 H new ATOM 596 N PRO A 38 40.702 31.509 22.002 1.00 0.00 N ATOM 597 CA PRO A 38 39.704 30.419 22.209 1.00 0.00 C ATOM 598 C PRO A 38 39.681 29.890 23.646 1.00 0.00 C ATOM 599 O PRO A 38 38.676 29.403 24.123 1.00 0.00 O ATOM 600 CB PRO A 38 40.174 29.345 21.244 1.00 0.00 C ATOM 601 CG PRO A 38 40.695 30.122 20.091 1.00 0.00 C ATOM 602 CD PRO A 38 41.370 31.361 20.695 1.00 0.00 C ATOM 0 HA PRO A 38 38.684 30.760 22.035 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.947 28.717 21.687 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.358 28.686 20.948 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.405 29.533 19.511 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.889 30.406 19.414 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.445 31.219 20.807 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.228 32.242 20.069 1.00 0.00 H new ATOM 610 N ASP A 39 40.784 29.977 24.337 1.00 0.00 N ATOM 611 CA ASP A 39 40.825 29.474 25.738 1.00 0.00 C ATOM 612 C ASP A 39 39.752 30.177 26.567 1.00 0.00 C ATOM 613 O ASP A 39 39.244 29.639 27.532 1.00 0.00 O ATOM 614 CB ASP A 39 42.203 29.757 26.341 1.00 0.00 C ATOM 615 CG ASP A 39 43.242 28.831 25.703 1.00 0.00 C ATOM 616 OD1 ASP A 39 43.816 29.221 24.699 1.00 0.00 O ATOM 617 OD2 ASP A 39 43.443 27.748 26.229 1.00 0.00 O ATOM 0 H ASP A 39 41.658 30.374 23.992 1.00 0.00 H new ATOM 0 HA ASP A 39 40.639 28.400 25.742 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.478 30.798 26.174 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.178 29.603 27.420 1.00 0.00 H new ATOM 622 N GLN A 40 39.401 31.378 26.200 1.00 0.00 N ATOM 623 CA GLN A 40 38.364 32.135 26.957 1.00 0.00 C ATOM 624 C GLN A 40 37.012 32.007 26.250 1.00 0.00 C ATOM 625 O GLN A 40 36.043 32.633 26.632 1.00 0.00 O ATOM 626 CB GLN A 40 38.771 33.605 27.008 1.00 0.00 C ATOM 627 CG GLN A 40 40.137 33.733 27.683 1.00 0.00 C ATOM 628 CD GLN A 40 40.404 35.202 28.020 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.598 35.848 28.658 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.512 35.760 27.613 1.00 0.00 N ATOM 0 H GLN A 40 39.793 31.873 25.399 1.00 0.00 H new ATOM 0 HA GLN A 40 38.278 31.734 27.967 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.812 34.017 26.000 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.026 34.181 27.558 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.164 33.130 28.591 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.917 33.352 27.024 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.189 35.217 27.077 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.700 36.738 27.831 1.00 0.00 H new ATOM 639 N GLN A 41 36.939 31.207 25.214 1.00 0.00 N ATOM 640 CA GLN A 41 35.645 31.052 24.474 1.00 0.00 C ATOM 641 C GLN A 41 35.466 29.609 24.004 1.00 0.00 C ATOM 642 O GLN A 41 36.408 28.942 23.620 1.00 0.00 O ATOM 643 CB GLN A 41 35.643 31.978 23.258 1.00 0.00 C ATOM 644 CG GLN A 41 35.726 33.431 23.724 1.00 0.00 C ATOM 645 CD GLN A 41 35.414 34.361 22.550 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.583 35.239 22.662 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.050 34.203 21.421 1.00 0.00 N ATOM 0 H GLN A 41 37.716 30.656 24.849 1.00 0.00 H new ATOM 0 HA GLN A 41 34.825 31.311 25.144 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.487 31.745 22.608 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.737 31.824 22.672 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.021 33.604 24.537 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.721 33.643 24.115 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.748 33.465 21.328 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.849 34.817 20.632 1.00 0.00 H new ATOM 656 N ARG A 42 34.246 29.135 24.007 1.00 0.00 N ATOM 657 CA ARG A 42 33.949 27.748 23.540 1.00 0.00 C ATOM 658 C ARG A 42 32.752 27.831 22.609 1.00 0.00 C ATOM 659 O ARG A 42 31.821 28.574 22.854 1.00 0.00 O ATOM 660 CB ARG A 42 33.622 26.850 24.739 1.00 0.00 C ATOM 661 CG ARG A 42 34.886 26.611 25.585 1.00 0.00 C ATOM 662 CD ARG A 42 35.709 25.455 25.000 1.00 0.00 C ATOM 663 NE ARG A 42 36.842 25.141 25.917 1.00 0.00 N ATOM 664 CZ ARG A 42 37.682 24.189 25.614 1.00 0.00 C ATOM 665 NH1 ARG A 42 38.671 23.912 26.420 1.00 0.00 N ATOM 666 NH2 ARG A 42 37.533 23.514 24.506 1.00 0.00 N ATOM 0 H ARG A 42 33.429 29.661 24.319 1.00 0.00 H new ATOM 0 HA ARG A 42 34.809 27.322 23.024 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.849 27.315 25.351 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.223 25.897 24.391 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.490 27.518 25.613 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.606 26.383 26.613 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.079 24.575 24.868 1.00 0.00 H new ATOM 0 HD3 ARG A 42 36.088 25.726 24.015 1.00 0.00 H new ATOM 0 HE ARG A 42 36.961 25.670 26.781 1.00 0.00 H new ATOM 0 HH11 ARG A 42 38.787 24.439 27.285 1.00 0.00 H new ATOM 0 HH12 ARG A 42 39.328 23.168 26.184 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.760 23.731 23.877 1.00 0.00 H new ATOM 0 HH22 ARG A 42 38.190 22.770 24.270 1.00 0.00 H new ATOM 680 N LEU A 43 32.765 27.110 21.529 1.00 0.00 N ATOM 681 CA LEU A 43 31.627 27.193 20.579 1.00 0.00 C ATOM 682 C LEU A 43 30.539 26.203 20.985 1.00 0.00 C ATOM 683 O LEU A 43 30.810 25.077 21.345 1.00 0.00 O ATOM 684 CB LEU A 43 32.124 26.848 19.178 1.00 0.00 C ATOM 685 CG LEU A 43 33.099 27.928 18.689 1.00 0.00 C ATOM 686 CD1 LEU A 43 34.416 27.884 19.482 1.00 0.00 C ATOM 687 CD2 LEU A 43 33.385 27.690 17.212 1.00 0.00 C ATOM 0 H LEU A 43 33.512 26.468 21.262 1.00 0.00 H new ATOM 0 HA LEU A 43 31.216 28.202 20.592 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.618 25.877 19.187 1.00 0.00 H new ATOM 0 HB3 LEU A 43 31.280 26.770 18.492 1.00 0.00 H new ATOM 0 HG LEU A 43 32.648 28.909 18.839 1.00 0.00 H new ATOM 0 HD11 LEU A 43 35.088 28.660 19.115 1.00 0.00 H new ATOM 0 HD12 LEU A 43 34.210 28.053 20.539 1.00 0.00 H new ATOM 0 HD13 LEU A 43 34.885 26.908 19.355 1.00 0.00 H new ATOM 0 HD21 LEU A 43 34.077 28.450 16.848 1.00 0.00 H new ATOM 0 HD22 LEU A 43 33.829 26.703 17.082 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.454 27.747 16.647 1.00 0.00 H new ATOM 699 N ILE A 44 29.304 26.620 20.907 1.00 0.00 N ATOM 700 CA ILE A 44 28.156 25.726 21.266 1.00 0.00 C ATOM 701 C ILE A 44 27.241 25.609 20.047 1.00 0.00 C ATOM 702 O ILE A 44 26.903 26.597 19.424 1.00 0.00 O ATOM 703 CB ILE A 44 27.366 26.348 22.422 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.287 26.557 23.638 1.00 0.00 C ATOM 705 CG2 ILE A 44 26.198 25.427 22.807 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.959 25.239 24.054 1.00 0.00 C ATOM 0 H ILE A 44 29.034 27.556 20.605 1.00 0.00 H new ATOM 0 HA ILE A 44 28.525 24.745 21.565 1.00 0.00 H new ATOM 0 HB ILE A 44 26.973 27.314 22.105 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.050 27.298 23.398 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.709 26.954 24.473 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.639 25.873 23.629 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.539 25.297 21.949 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.586 24.457 23.117 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.604 25.415 24.915 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.194 24.508 24.317 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.556 24.858 23.226 1.00 0.00 H new ATOM 718 N PHE A 45 26.834 24.417 19.689 1.00 0.00 N ATOM 719 CA PHE A 45 25.946 24.260 18.505 1.00 0.00 C ATOM 720 C PHE A 45 25.054 23.026 18.702 1.00 0.00 C ATOM 721 O PHE A 45 25.486 21.905 18.532 1.00 0.00 O ATOM 722 CB PHE A 45 26.817 24.087 17.254 1.00 0.00 C ATOM 723 CG PHE A 45 25.977 23.605 16.096 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.268 24.522 15.314 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.915 22.238 15.809 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.492 24.070 14.240 1.00 0.00 C ATOM 727 CE2 PHE A 45 25.138 21.785 14.735 1.00 0.00 C ATOM 728 CZ PHE A 45 24.427 22.702 13.950 1.00 0.00 C ATOM 0 H PHE A 45 27.079 23.550 20.166 1.00 0.00 H new ATOM 0 HA PHE A 45 25.313 25.140 18.387 1.00 0.00 H new ATOM 0 HB2 PHE A 45 27.292 25.034 16.999 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.616 23.374 17.454 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.319 25.577 15.538 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.465 21.533 16.414 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.943 24.777 13.635 1.00 0.00 H new ATOM 0 HE2 PHE A 45 25.087 20.729 14.512 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.829 22.354 13.121 1.00 0.00 H new ATOM 738 N ALA A 46 23.813 23.234 19.047 1.00 0.00 N ATOM 739 CA ALA A 46 22.875 22.088 19.239 1.00 0.00 C ATOM 740 C ALA A 46 23.250 21.281 20.491 1.00 0.00 C ATOM 741 O ALA A 46 22.930 20.113 20.595 1.00 0.00 O ATOM 742 CB ALA A 46 22.916 21.178 18.000 1.00 0.00 C ATOM 0 H ALA A 46 23.404 24.155 19.206 1.00 0.00 H new ATOM 0 HA ALA A 46 21.867 22.480 19.373 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.231 20.341 18.140 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.617 21.748 17.120 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.928 20.799 17.860 1.00 0.00 H new ATOM 748 N GLY A 47 23.904 21.884 21.450 1.00 0.00 N ATOM 749 CA GLY A 47 24.269 21.133 22.691 1.00 0.00 C ATOM 750 C GLY A 47 25.606 20.410 22.509 1.00 0.00 C ATOM 751 O GLY A 47 26.016 19.639 23.353 1.00 0.00 O ATOM 0 H GLY A 47 24.201 22.860 21.429 1.00 0.00 H new ATOM 0 HA2 GLY A 47 24.333 21.821 23.534 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.488 20.411 22.928 1.00 0.00 H new ATOM 755 N LYS A 48 26.288 20.651 21.417 1.00 0.00 N ATOM 756 CA LYS A 48 27.606 19.977 21.170 1.00 0.00 C ATOM 757 C LYS A 48 28.665 21.035 20.856 1.00 0.00 C ATOM 758 O LYS A 48 28.370 22.067 20.289 1.00 0.00 O ATOM 759 CB LYS A 48 27.474 19.031 19.983 1.00 0.00 C ATOM 760 CG LYS A 48 26.463 17.931 20.313 1.00 0.00 C ATOM 761 CD LYS A 48 26.351 16.969 19.130 1.00 0.00 C ATOM 762 CE LYS A 48 25.337 15.872 19.456 1.00 0.00 C ATOM 763 NZ LYS A 48 25.227 14.938 18.299 1.00 0.00 N ATOM 0 H LYS A 48 25.989 21.289 20.680 1.00 0.00 H new ATOM 0 HA LYS A 48 27.901 19.415 22.056 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.151 19.582 19.100 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.442 18.590 19.747 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.776 17.391 21.206 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.490 18.371 20.531 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.042 17.510 18.236 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.324 16.527 18.914 1.00 0.00 H new ATOM 0 HE2 LYS A 48 25.648 15.328 20.348 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.365 16.314 19.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.537 14.191 18.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.912 15.463 17.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.155 14.508 18.111 1.00 0.00 H new ATOM 777 N GLN A 49 29.902 20.787 21.210 1.00 0.00 N ATOM 778 CA GLN A 49 30.983 21.768 20.925 1.00 0.00 C ATOM 779 C GLN A 49 31.646 21.394 19.596 1.00 0.00 C ATOM 780 O GLN A 49 31.513 20.283 19.124 1.00 0.00 O ATOM 781 CB GLN A 49 32.021 21.701 22.059 1.00 0.00 C ATOM 782 CG GLN A 49 32.871 22.977 22.075 1.00 0.00 C ATOM 783 CD GLN A 49 34.164 22.727 22.857 1.00 0.00 C ATOM 784 OE1 GLN A 49 35.243 22.773 22.301 1.00 0.00 O ATOM 785 NE2 GLN A 49 34.099 22.464 24.134 1.00 0.00 N ATOM 0 H GLN A 49 30.207 19.939 21.688 1.00 0.00 H new ATOM 0 HA GLN A 49 30.577 22.778 20.860 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.516 21.580 23.017 1.00 0.00 H new ATOM 0 HB3 GLN A 49 32.662 20.830 21.924 1.00 0.00 H new ATOM 0 HG2 GLN A 49 33.105 23.282 21.055 1.00 0.00 H new ATOM 0 HG3 GLN A 49 32.311 23.793 22.531 1.00 0.00 H new ATOM 0 HE21 GLN A 49 33.193 22.425 24.601 1.00 0.00 H new ATOM 0 HE22 GLN A 49 34.954 22.297 24.665 1.00 0.00 H new ATOM 794 N LEU A 50 32.369 22.302 18.991 1.00 0.00 N ATOM 795 CA LEU A 50 33.048 21.987 17.696 1.00 0.00 C ATOM 796 C LEU A 50 34.512 21.632 17.979 1.00 0.00 C ATOM 797 O LEU A 50 35.311 22.483 18.317 1.00 0.00 O ATOM 798 CB LEU A 50 32.979 23.216 16.785 1.00 0.00 C ATOM 799 CG LEU A 50 31.563 23.801 16.813 1.00 0.00 C ATOM 800 CD1 LEU A 50 31.448 24.910 15.762 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.541 22.699 16.506 1.00 0.00 C ATOM 0 H LEU A 50 32.519 23.249 19.338 1.00 0.00 H new ATOM 0 HA LEU A 50 32.557 21.146 17.206 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.699 23.965 17.114 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.249 22.941 15.766 1.00 0.00 H new ATOM 0 HG LEU A 50 31.363 24.213 17.802 1.00 0.00 H new ATOM 0 HD11 LEU A 50 30.441 25.327 15.781 1.00 0.00 H new ATOM 0 HD12 LEU A 50 32.170 25.696 15.982 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.651 24.497 14.774 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.535 23.119 16.527 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.740 22.283 15.518 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.620 21.910 17.254 1.00 0.00 H new ATOM 813 N GLU A 51 34.869 20.378 17.861 1.00 0.00 N ATOM 814 CA GLU A 51 36.279 19.962 18.141 1.00 0.00 C ATOM 815 C GLU A 51 37.098 19.960 16.849 1.00 0.00 C ATOM 816 O GLU A 51 36.579 19.777 15.768 1.00 0.00 O ATOM 817 CB GLU A 51 36.275 18.553 18.739 1.00 0.00 C ATOM 818 CG GLU A 51 35.407 18.536 20.000 1.00 0.00 C ATOM 819 CD GLU A 51 36.087 19.353 21.100 1.00 0.00 C ATOM 820 OE1 GLU A 51 35.827 20.543 21.172 1.00 0.00 O ATOM 821 OE2 GLU A 51 36.854 18.774 21.852 1.00 0.00 O ATOM 0 H GLU A 51 34.244 19.622 17.582 1.00 0.00 H new ATOM 0 HA GLU A 51 36.727 20.666 18.842 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.891 17.838 18.011 1.00 0.00 H new ATOM 0 HB3 GLU A 51 37.293 18.246 18.981 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.422 18.949 19.782 1.00 0.00 H new ATOM 0 HG3 GLU A 51 35.255 17.510 20.336 1.00 0.00 H new ATOM 828 N ASP A 52 38.382 20.162 16.960 1.00 0.00 N ATOM 829 CA ASP A 52 39.255 20.178 15.751 1.00 0.00 C ATOM 830 C ASP A 52 39.367 18.766 15.168 1.00 0.00 C ATOM 831 O ASP A 52 39.178 17.783 15.854 1.00 0.00 O ATOM 832 CB ASP A 52 40.649 20.672 16.142 1.00 0.00 C ATOM 833 CG ASP A 52 41.236 19.750 17.212 1.00 0.00 C ATOM 834 OD1 ASP A 52 40.576 18.786 17.563 1.00 0.00 O ATOM 835 OD2 ASP A 52 42.337 20.024 17.663 1.00 0.00 O ATOM 0 H ASP A 52 38.868 20.318 17.843 1.00 0.00 H new ATOM 0 HA ASP A 52 38.820 20.842 15.004 1.00 0.00 H new ATOM 0 HB2 ASP A 52 41.298 20.691 15.267 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.592 21.693 16.518 1.00 0.00 H new ATOM 840 N GLY A 53 39.679 18.664 13.901 1.00 0.00 N ATOM 841 CA GLY A 53 39.812 17.319 13.263 1.00 0.00 C ATOM 842 C GLY A 53 38.455 16.860 12.732 1.00 0.00 C ATOM 843 O GLY A 53 38.201 15.680 12.590 1.00 0.00 O ATOM 0 H GLY A 53 39.848 19.455 13.280 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.535 17.363 12.449 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.191 16.599 13.988 1.00 0.00 H new ATOM 847 N ARG A 54 37.577 17.782 12.435 1.00 0.00 N ATOM 848 CA ARG A 54 36.232 17.395 11.910 1.00 0.00 C ATOM 849 C ARG A 54 35.696 18.489 10.979 1.00 0.00 C ATOM 850 O ARG A 54 35.999 19.660 11.132 1.00 0.00 O ATOM 851 CB ARG A 54 35.266 17.199 13.082 1.00 0.00 C ATOM 852 CG ARG A 54 35.570 15.874 13.787 1.00 0.00 C ATOM 853 CD ARG A 54 34.524 15.623 14.875 1.00 0.00 C ATOM 854 NE ARG A 54 34.787 14.306 15.523 1.00 0.00 N ATOM 855 CZ ARG A 54 34.382 13.205 14.950 1.00 0.00 C ATOM 856 NH1 ARG A 54 34.612 12.053 15.517 1.00 0.00 N ATOM 857 NH2 ARG A 54 33.745 13.257 13.813 1.00 0.00 N ATOM 0 H ARG A 54 37.732 18.785 12.533 1.00 0.00 H new ATOM 0 HA ARG A 54 36.321 16.465 11.349 1.00 0.00 H new ATOM 0 HB2 ARG A 54 35.360 18.026 13.786 1.00 0.00 H new ATOM 0 HB3 ARG A 54 34.237 17.203 12.722 1.00 0.00 H new ATOM 0 HG2 ARG A 54 35.564 15.056 13.066 1.00 0.00 H new ATOM 0 HG3 ARG A 54 36.567 15.904 14.226 1.00 0.00 H new ATOM 0 HD2 ARG A 54 34.559 16.419 15.618 1.00 0.00 H new ATOM 0 HD3 ARG A 54 33.524 15.634 14.442 1.00 0.00 H new ATOM 0 HE ARG A 54 35.283 14.265 16.413 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.108 12.013 16.407 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.296 11.192 15.070 1.00 0.00 H new ATOM 0 HH21 ARG A 54 33.563 14.158 13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 54 33.429 12.397 13.366 1.00 0.00 H new ATOM 871 N THR A 55 34.897 18.105 10.012 1.00 0.00 N ATOM 872 CA THR A 55 34.315 19.090 9.047 1.00 0.00 C ATOM 873 C THR A 55 32.812 19.221 9.317 1.00 0.00 C ATOM 874 O THR A 55 32.237 18.437 10.043 1.00 0.00 O ATOM 875 CB THR A 55 34.545 18.575 7.619 1.00 0.00 C ATOM 876 OG1 THR A 55 35.939 18.546 7.351 1.00 0.00 O ATOM 877 CG2 THR A 55 33.851 19.491 6.604 1.00 0.00 C ATOM 0 H THR A 55 34.620 17.137 9.849 1.00 0.00 H new ATOM 0 HA THR A 55 34.789 20.064 9.164 1.00 0.00 H new ATOM 0 HB THR A 55 34.128 17.572 7.532 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.090 18.216 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.023 19.113 5.596 1.00 0.00 H new ATOM 0 HG22 THR A 55 32.780 19.512 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.256 20.499 6.688 1.00 0.00 H new ATOM 885 N LEU A 56 32.168 20.203 8.743 1.00 0.00 N ATOM 886 CA LEU A 56 30.705 20.373 8.981 1.00 0.00 C ATOM 887 C LEU A 56 29.943 19.215 8.327 1.00 0.00 C ATOM 888 O LEU A 56 29.039 18.643 8.910 1.00 0.00 O ATOM 889 CB LEU A 56 30.241 21.706 8.384 1.00 0.00 C ATOM 890 CG LEU A 56 31.214 22.821 8.791 1.00 0.00 C ATOM 891 CD1 LEU A 56 30.653 24.183 8.361 1.00 0.00 C ATOM 892 CD2 LEU A 56 31.415 22.806 10.313 1.00 0.00 C ATOM 0 H LEU A 56 32.591 20.893 8.122 1.00 0.00 H new ATOM 0 HA LEU A 56 30.507 20.373 10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.192 21.632 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.236 21.942 8.733 1.00 0.00 H new ATOM 0 HG LEU A 56 32.172 22.654 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.348 24.971 8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 56 30.521 24.197 7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 56 29.691 24.350 8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 56 32.107 23.599 10.597 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.457 22.965 10.808 1.00 0.00 H new ATOM 0 HD23 LEU A 56 31.824 21.842 10.616 1.00 0.00 H new ATOM 904 N SER A 57 30.318 18.840 7.136 1.00 0.00 N ATOM 905 CA SER A 57 29.630 17.699 6.473 1.00 0.00 C ATOM 906 C SER A 57 29.852 16.454 7.332 1.00 0.00 C ATOM 907 O SER A 57 28.930 15.741 7.673 1.00 0.00 O ATOM 908 CB SER A 57 30.220 17.477 5.080 1.00 0.00 C ATOM 909 OG SER A 57 29.568 16.372 4.464 1.00 0.00 O ATOM 0 H SER A 57 31.067 19.272 6.596 1.00 0.00 H new ATOM 0 HA SER A 57 28.565 17.906 6.370 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.094 18.373 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.291 17.288 5.152 1.00 0.00 H new ATOM 0 HG SER A 57 29.943 16.228 3.570 1.00 0.00 H new ATOM 915 N ASP A 58 31.082 16.196 7.678 1.00 0.00 N ATOM 916 CA ASP A 58 31.395 15.006 8.516 1.00 0.00 C ATOM 917 C ASP A 58 30.444 14.961 9.718 1.00 0.00 C ATOM 918 O ASP A 58 30.028 13.904 10.149 1.00 0.00 O ATOM 919 CB ASP A 58 32.840 15.096 9.012 1.00 0.00 C ATOM 920 CG ASP A 58 33.798 14.842 7.846 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.335 14.385 6.813 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.977 15.106 8.005 1.00 0.00 O ATOM 0 H ASP A 58 31.889 16.762 7.415 1.00 0.00 H new ATOM 0 HA ASP A 58 31.271 14.101 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.027 16.080 9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.010 14.365 9.802 1.00 0.00 H new ATOM 927 N TYR A 59 30.095 16.097 10.263 1.00 0.00 N ATOM 928 CA TYR A 59 29.169 16.103 11.436 1.00 0.00 C ATOM 929 C TYR A 59 27.750 15.776 10.952 1.00 0.00 C ATOM 930 O TYR A 59 26.892 15.406 11.727 1.00 0.00 O ATOM 931 CB TYR A 59 29.194 17.497 12.105 1.00 0.00 C ATOM 932 CG TYR A 59 30.141 17.499 13.290 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.369 18.164 13.211 1.00 0.00 C ATOM 934 CD2 TYR A 59 29.780 16.833 14.468 1.00 0.00 C ATOM 935 CE1 TYR A 59 32.237 18.164 14.309 1.00 0.00 C ATOM 936 CE2 TYR A 59 30.647 16.833 15.566 1.00 0.00 C ATOM 937 CZ TYR A 59 31.877 17.499 15.486 1.00 0.00 C ATOM 938 OH TYR A 59 32.731 17.499 16.570 1.00 0.00 O ATOM 0 H TYR A 59 30.408 17.016 9.950 1.00 0.00 H new ATOM 0 HA TYR A 59 29.484 15.356 12.165 1.00 0.00 H new ATOM 0 HB2 TYR A 59 29.506 18.249 11.381 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.190 17.768 12.433 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.647 18.678 12.303 1.00 0.00 H new ATOM 0 HD2 TYR A 59 28.832 16.319 14.529 1.00 0.00 H new ATOM 0 HE1 TYR A 59 33.185 18.678 14.248 1.00 0.00 H new ATOM 0 HE2 TYR A 59 30.368 16.320 16.475 1.00 0.00 H new ATOM 0 HH TYR A 59 32.327 16.992 17.305 1.00 0.00 H new ATOM 948 N ASN A 60 27.501 15.901 9.678 1.00 0.00 N ATOM 949 CA ASN A 60 26.142 15.587 9.154 1.00 0.00 C ATOM 950 C ASN A 60 25.089 16.317 9.990 1.00 0.00 C ATOM 951 O ASN A 60 24.257 15.705 10.629 1.00 0.00 O ATOM 952 CB ASN A 60 25.901 14.077 9.236 1.00 0.00 C ATOM 953 CG ASN A 60 26.960 13.346 8.410 1.00 0.00 C ATOM 954 OD1 ASN A 60 27.263 13.742 7.301 1.00 0.00 O ATOM 955 ND2 ASN A 60 27.539 12.288 8.906 1.00 0.00 N ATOM 0 H ASN A 60 28.178 16.206 8.978 1.00 0.00 H new ATOM 0 HA ASN A 60 26.070 15.912 8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.943 13.747 10.274 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.905 13.836 8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 60 28.246 11.792 8.364 1.00 0.00 H new ATOM 0 HD22 ASN A 60 27.284 11.956 9.836 1.00 0.00 H new ATOM 962 N ILE A 61 25.119 17.621 9.991 1.00 0.00 N ATOM 963 CA ILE A 61 24.121 18.386 10.789 1.00 0.00 C ATOM 964 C ILE A 61 22.709 18.057 10.294 1.00 0.00 C ATOM 965 O ILE A 61 22.493 17.817 9.123 1.00 0.00 O ATOM 966 CB ILE A 61 24.380 19.887 10.628 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.526 20.226 9.138 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.667 20.265 11.365 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.376 21.735 8.939 1.00 0.00 C ATOM 0 H ILE A 61 25.791 18.189 9.474 1.00 0.00 H new ATOM 0 HA ILE A 61 24.211 18.112 11.840 1.00 0.00 H new ATOM 0 HB ILE A 61 23.543 20.446 11.047 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.498 19.896 8.773 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.771 19.695 8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 61 25.852 21.333 11.251 1.00 0.00 H new ATOM 0 HG22 ILE A 61 25.564 20.026 12.423 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.504 19.705 10.947 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.480 21.975 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.393 22.052 9.288 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.148 22.255 9.506 1.00 0.00 H new ATOM 981 N GLN A 62 21.748 18.041 11.185 1.00 0.00 N ATOM 982 CA GLN A 62 20.338 17.729 10.787 1.00 0.00 C ATOM 983 C GLN A 62 19.503 19.011 10.824 1.00 0.00 C ATOM 984 O GLN A 62 18.388 19.020 11.309 1.00 0.00 O ATOM 985 CB GLN A 62 19.751 16.714 11.772 1.00 0.00 C ATOM 986 CG GLN A 62 19.882 17.249 13.200 1.00 0.00 C ATOM 987 CD GLN A 62 19.392 16.191 14.189 1.00 0.00 C ATOM 988 OE1 GLN A 62 19.944 15.111 14.263 1.00 0.00 O ATOM 989 NE2 GLN A 62 18.373 16.457 14.958 1.00 0.00 N ATOM 0 H GLN A 62 21.880 18.232 12.178 1.00 0.00 H new ATOM 0 HA GLN A 62 20.325 17.315 9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.703 16.529 11.537 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.272 15.761 11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.921 17.505 13.410 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.300 18.164 13.312 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.910 17.364 14.896 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.039 15.758 15.622 1.00 0.00 H new ATOM 998 N LYS A 63 20.032 20.091 10.310 1.00 0.00 N ATOM 999 CA LYS A 63 19.276 21.384 10.306 1.00 0.00 C ATOM 1000 C LYS A 63 18.722 21.641 8.902 1.00 0.00 C ATOM 1001 O LYS A 63 18.060 22.627 8.661 1.00 0.00 O ATOM 1002 CB LYS A 63 20.221 22.528 10.690 1.00 0.00 C ATOM 1003 CG LYS A 63 20.847 22.261 12.068 1.00 0.00 C ATOM 1004 CD LYS A 63 19.864 22.643 13.183 1.00 0.00 C ATOM 1005 CE LYS A 63 20.569 22.540 14.537 1.00 0.00 C ATOM 1006 NZ LYS A 63 21.689 23.522 14.590 1.00 0.00 N ATOM 0 H LYS A 63 20.960 20.135 9.890 1.00 0.00 H new ATOM 0 HA LYS A 63 18.456 21.329 11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.005 22.629 9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.674 23.471 10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.115 21.208 12.155 1.00 0.00 H new ATOM 0 HG3 LYS A 63 21.768 22.834 12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.497 23.657 13.028 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.997 21.983 13.161 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.862 22.735 15.343 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.950 21.529 14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.716 23.968 15.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.589 23.032 14.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.545 24.252 13.864 1.00 0.00 H new ATOM 1020 N GLU A 64 18.997 20.758 7.978 1.00 0.00 N ATOM 1021 CA GLU A 64 18.497 20.938 6.582 1.00 0.00 C ATOM 1022 C GLU A 64 19.104 22.209 5.980 1.00 0.00 C ATOM 1023 O GLU A 64 19.935 22.152 5.096 1.00 0.00 O ATOM 1024 CB GLU A 64 16.966 21.044 6.587 1.00 0.00 C ATOM 1025 CG GLU A 64 16.425 20.764 5.182 1.00 0.00 C ATOM 1026 CD GLU A 64 14.896 20.799 5.206 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.345 21.011 6.273 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.302 20.613 4.157 1.00 0.00 O ATOM 0 H GLU A 64 19.550 19.915 8.131 1.00 0.00 H new ATOM 0 HA GLU A 64 18.791 20.078 5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.545 20.333 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.662 22.039 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.805 21.506 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.771 19.790 4.835 1.00 0.00 H new HETATM 1035 N SEP A 65 18.697 23.359 6.453 1.00 0.00 N HETATM 1036 CA SEP A 65 19.250 24.637 5.911 1.00 0.00 C HETATM 1037 CB SEP A 65 18.330 25.161 4.806 1.00 0.00 C HETATM 1038 OG SEP A 65 18.958 26.256 4.153 1.00 0.00 O HETATM 1039 C SEP A 65 19.335 25.670 7.037 1.00 0.00 C HETATM 1040 O SEP A 65 19.146 25.355 8.196 1.00 0.00 O HETATM 1041 P SEP A 65 18.186 27.070 3.103 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.872 28.479 3.087 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.357 26.283 1.760 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.706 27.107 3.615 1.00 0.00 O HETATM 0 HB3 SEP A 65 18.116 24.369 4.089 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.375 25.474 5.229 1.00 0.00 H new HETATM 0 HA SEP A 65 20.245 24.461 5.502 1.00 0.00 H new HETATM 1049 N TPO A 66 19.618 26.901 6.707 1.00 0.00 N HETATM 1050 CA TPO A 66 19.715 27.950 7.762 1.00 0.00 C HETATM 1051 CB TPO A 66 18.331 28.190 8.370 1.00 0.00 C HETATM 1052 CG2 TPO A 66 18.402 29.348 9.367 1.00 0.00 C HETATM 1053 OG1 TPO A 66 17.410 28.509 7.335 1.00 0.00 O HETATM 1054 P TPO A 66 15.920 28.702 7.664 1.00 0.00 P HETATM 1055 O1P TPO A 66 15.692 27.932 9.009 1.00 0.00 O HETATM 1056 O2P TPO A 66 15.147 28.077 6.453 1.00 0.00 O HETATM 1057 O3P TPO A 66 15.723 30.251 7.795 1.00 0.00 O HETATM 1058 C TPO A 66 20.681 27.485 8.855 1.00 0.00 C HETATM 1059 O TPO A 66 20.272 26.978 9.882 1.00 0.00 O HETATM 0 HG23 TPO A 66 19.108 29.102 10.160 1.00 0.00 H new HETATM 0 HG22 TPO A 66 18.733 30.251 8.853 1.00 0.00 H new HETATM 0 HG21 TPO A 66 17.416 29.517 9.799 1.00 0.00 H new HETATM 0 HB TPO A 66 18.000 27.289 8.887 1.00 0.00 H new HETATM 0 HA TPO A 66 20.084 28.877 7.322 1.00 0.00 H new ATOM 1066 N LEU A 67 21.959 27.649 8.642 1.00 0.00 N ATOM 1067 CA LEU A 67 22.956 27.214 9.666 1.00 0.00 C ATOM 1068 C LEU A 67 23.231 28.365 10.637 1.00 0.00 C ATOM 1069 O LEU A 67 23.715 29.410 10.250 1.00 0.00 O ATOM 1070 CB LEU A 67 24.260 26.824 8.968 1.00 0.00 C ATOM 1071 CG LEU A 67 23.959 25.897 7.787 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.270 25.511 7.099 1.00 0.00 C ATOM 1073 CD2 LEU A 67 23.251 24.633 8.291 1.00 0.00 C ATOM 0 H LEU A 67 22.358 28.066 7.801 1.00 0.00 H new ATOM 0 HA LEU A 67 22.561 26.360 10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.777 27.717 8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.926 26.326 9.673 1.00 0.00 H new ATOM 0 HG LEU A 67 23.312 26.412 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.059 24.851 6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.770 26.410 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.916 24.997 7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.038 23.975 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.894 24.115 9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.317 24.910 8.781 1.00 0.00 H new ATOM 1085 N HIS A 68 22.920 28.177 11.897 1.00 0.00 N ATOM 1086 CA HIS A 68 23.154 29.250 12.916 1.00 0.00 C ATOM 1087 C HIS A 68 23.999 28.691 14.065 1.00 0.00 C ATOM 1088 O HIS A 68 23.704 27.650 14.614 1.00 0.00 O ATOM 1089 CB HIS A 68 21.807 29.723 13.469 1.00 0.00 C ATOM 1090 CG HIS A 68 21.010 30.366 12.367 1.00 0.00 C ATOM 1091 ND1 HIS A 68 21.570 30.686 11.138 1.00 0.00 N ATOM 1092 CD2 HIS A 68 19.696 30.759 12.295 1.00 0.00 C ATOM 1093 CE1 HIS A 68 20.604 31.246 10.385 1.00 0.00 C ATOM 1094 NE2 HIS A 68 19.446 31.313 11.044 1.00 0.00 N ATOM 0 H HIS A 68 22.511 27.319 12.267 1.00 0.00 H new ATOM 0 HA HIS A 68 23.678 30.085 12.450 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.257 28.880 13.886 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.964 30.433 14.281 1.00 0.00 H new ATOM 0 HD1 HIS A 68 22.537 30.526 10.856 1.00 0.00 H new ATOM 0 HD2 HIS A 68 18.969 30.654 13.087 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.749 31.597 9.374 1.00 0.00 H new ATOM 1103 N LEU A 69 25.043 29.391 14.436 1.00 0.00 N ATOM 1104 CA LEU A 69 25.926 28.935 15.560 1.00 0.00 C ATOM 1105 C LEU A 69 25.873 29.999 16.664 1.00 0.00 C ATOM 1106 O LEU A 69 25.464 31.118 16.427 1.00 0.00 O ATOM 1107 CB LEU A 69 27.375 28.793 15.046 1.00 0.00 C ATOM 1108 CG LEU A 69 27.627 27.368 14.528 1.00 0.00 C ATOM 1109 CD1 LEU A 69 26.752 27.092 13.298 1.00 0.00 C ATOM 1110 CD2 LEU A 69 29.103 27.228 14.148 1.00 0.00 C ATOM 0 H LEU A 69 25.326 30.270 14.004 1.00 0.00 H new ATOM 0 HA LEU A 69 25.591 27.972 15.945 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.556 29.513 14.248 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.076 29.023 15.848 1.00 0.00 H new ATOM 0 HG LEU A 69 27.375 26.650 15.308 1.00 0.00 H new ATOM 0 HD11 LEU A 69 26.938 26.080 12.939 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.701 27.193 13.569 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.994 27.806 12.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.290 26.219 13.779 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.348 27.950 13.369 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.724 27.415 15.024 1.00 0.00 H new ATOM 1122 N VAL A 70 26.280 29.667 17.866 1.00 0.00 N ATOM 1123 CA VAL A 70 26.245 30.670 18.977 1.00 0.00 C ATOM 1124 C VAL A 70 27.523 30.548 19.811 1.00 0.00 C ATOM 1125 O VAL A 70 27.822 29.503 20.353 1.00 0.00 O ATOM 1126 CB VAL A 70 25.032 30.397 19.867 1.00 0.00 C ATOM 1127 CG1 VAL A 70 24.928 31.482 20.942 1.00 0.00 C ATOM 1128 CG2 VAL A 70 23.762 30.399 19.013 1.00 0.00 C ATOM 0 H VAL A 70 26.634 28.746 18.125 1.00 0.00 H new ATOM 0 HA VAL A 70 26.175 31.675 18.560 1.00 0.00 H new ATOM 0 HB VAL A 70 25.146 29.425 20.346 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.063 31.285 21.575 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.832 31.478 21.551 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.815 32.456 20.466 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.897 30.204 19.647 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.648 31.371 18.532 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.835 29.623 18.251 1.00 0.00 H new ATOM 1138 N LEU A 71 28.285 31.604 19.914 1.00 0.00 N ATOM 1139 CA LEU A 71 29.546 31.550 20.705 1.00 0.00 C ATOM 1140 C LEU A 71 29.227 31.726 22.185 1.00 0.00 C ATOM 1141 O LEU A 71 28.265 32.374 22.545 1.00 0.00 O ATOM 1142 CB LEU A 71 30.488 32.676 20.268 1.00 0.00 C ATOM 1143 CG LEU A 71 30.519 32.787 18.742 1.00 0.00 C ATOM 1144 CD1 LEU A 71 31.688 33.683 18.340 1.00 0.00 C ATOM 1145 CD2 LEU A 71 30.708 31.404 18.117 1.00 0.00 C ATOM 0 H LEU A 71 28.086 32.506 19.481 1.00 0.00 H new ATOM 0 HA LEU A 71 30.025 30.586 20.537 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.160 33.621 20.701 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.493 32.485 20.645 1.00 0.00 H new ATOM 0 HG LEU A 71 29.578 33.209 18.390 1.00 0.00 H new ATOM 0 HD11 LEU A 71 31.722 33.771 17.254 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.557 34.671 18.780 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.621 33.247 18.698 1.00 0.00 H new ATOM 0 HD21 LEU A 71 30.729 31.495 17.031 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.648 30.974 18.463 1.00 0.00 H new ATOM 0 HD23 LEU A 71 29.882 30.756 18.411 1.00 0.00 H new ATOM 1157 N ARG A 72 30.039 31.169 23.050 1.00 0.00 N ATOM 1158 CA ARG A 72 29.810 31.310 24.523 1.00 0.00 C ATOM 1159 C ARG A 72 31.047 31.971 25.135 1.00 0.00 C ATOM 1160 O ARG A 72 32.137 31.856 24.609 1.00 0.00 O ATOM 1161 CB ARG A 72 29.617 29.921 25.142 1.00 0.00 C ATOM 1162 CG ARG A 72 28.997 30.061 26.535 1.00 0.00 C ATOM 1163 CD ARG A 72 28.829 28.677 27.163 1.00 0.00 C ATOM 1164 NE ARG A 72 28.012 28.790 28.404 1.00 0.00 N ATOM 1165 CZ ARG A 72 28.569 29.167 29.523 1.00 0.00 C ATOM 1166 NH1 ARG A 72 27.850 29.269 30.607 1.00 0.00 N ATOM 1167 NH2 ARG A 72 29.844 29.441 29.556 1.00 0.00 N ATOM 0 H ARG A 72 30.859 30.617 22.796 1.00 0.00 H new ATOM 0 HA ARG A 72 28.923 31.914 24.714 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.973 29.314 24.505 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.575 29.406 25.209 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.632 30.683 27.166 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.030 30.560 26.465 1.00 0.00 H new ATOM 0 HD2 ARG A 72 28.346 28.002 26.457 1.00 0.00 H new ATOM 0 HD3 ARG A 72 29.805 28.250 27.395 1.00 0.00 H new ATOM 0 HE ARG A 72 27.016 28.572 28.379 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.853 29.054 30.580 1.00 0.00 H new ATOM 0 HH12 ARG A 72 28.285 29.563 31.481 1.00 0.00 H new ATOM 0 HH21 ARG A 72 30.405 29.361 28.708 1.00 0.00 H new ATOM 0 HH22 ARG A 72 30.280 29.736 30.430 1.00 0.00 H new ATOM 1181 N LEU A 73 30.897 32.658 26.241 1.00 0.00 N ATOM 1182 CA LEU A 73 32.076 33.323 26.882 1.00 0.00 C ATOM 1183 C LEU A 73 32.568 32.467 28.050 1.00 0.00 C ATOM 1184 O LEU A 73 31.890 31.565 28.503 1.00 0.00 O ATOM 1185 CB LEU A 73 31.658 34.697 27.407 1.00 0.00 C ATOM 1186 CG LEU A 73 30.865 35.444 26.329 1.00 0.00 C ATOM 1187 CD1 LEU A 73 30.467 36.824 26.858 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.727 35.607 25.072 1.00 0.00 C ATOM 0 H LEU A 73 30.010 32.787 26.728 1.00 0.00 H new ATOM 0 HA LEU A 73 32.874 33.437 26.148 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.051 34.584 28.305 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.540 35.273 27.688 1.00 0.00 H new ATOM 0 HG LEU A 73 29.969 34.875 26.079 1.00 0.00 H new ATOM 0 HD11 LEU A 73 29.903 37.358 26.093 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.850 36.708 27.749 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.364 37.390 27.109 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.160 36.139 24.308 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.625 36.174 25.318 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.011 34.624 24.695 1.00 0.00 H new ATOM 1200 N ARG A 74 33.743 32.744 28.543 1.00 0.00 N ATOM 1201 CA ARG A 74 34.279 31.950 29.684 1.00 0.00 C ATOM 1202 C ARG A 74 33.353 32.102 30.892 1.00 0.00 C ATOM 1203 O ARG A 74 33.251 31.222 31.724 1.00 0.00 O ATOM 1204 CB ARG A 74 35.677 32.458 30.046 1.00 0.00 C ATOM 1205 CG ARG A 74 35.635 33.976 30.231 1.00 0.00 C ATOM 1206 CD ARG A 74 36.991 34.467 30.743 1.00 0.00 C ATOM 1207 NE ARG A 74 37.151 34.084 32.173 1.00 0.00 N ATOM 1208 CZ ARG A 74 38.229 34.428 32.824 1.00 0.00 C ATOM 1209 NH1 ARG A 74 38.369 34.095 34.078 1.00 0.00 N ATOM 1210 NH2 ARG A 74 39.167 35.107 32.220 1.00 0.00 N ATOM 0 H ARG A 74 34.356 33.486 28.205 1.00 0.00 H new ATOM 0 HA ARG A 74 34.336 30.899 29.400 1.00 0.00 H new ATOM 0 HB2 ARG A 74 36.024 31.979 30.961 1.00 0.00 H new ATOM 0 HB3 ARG A 74 36.386 32.196 29.260 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.394 34.461 29.285 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.849 34.245 30.937 1.00 0.00 H new ATOM 0 HD2 ARG A 74 37.795 34.034 30.148 1.00 0.00 H new ATOM 0 HD3 ARG A 74 37.062 35.549 30.635 1.00 0.00 H new ATOM 0 HE ARG A 74 36.418 33.553 32.644 1.00 0.00 H new ATOM 0 HH11 ARG A 74 37.636 33.566 34.550 1.00 0.00 H new ATOM 0 HH12 ARG A 74 39.212 34.364 34.586 1.00 0.00 H new ATOM 0 HH21 ARG A 74 39.057 35.368 31.240 1.00 0.00 H new ATOM 0 HH22 ARG A 74 40.009 35.376 32.728 1.00 0.00 H new ATOM 1224 N GLY A 75 32.674 33.213 30.994 1.00 0.00 N ATOM 1225 CA GLY A 75 31.753 33.420 32.149 1.00 0.00 C ATOM 1226 C GLY A 75 31.162 34.829 32.085 1.00 0.00 C ATOM 1227 O GLY A 75 31.368 35.559 31.136 1.00 0.00 O ATOM 0 H GLY A 75 32.717 33.985 30.329 1.00 0.00 H new ATOM 0 HA2 GLY A 75 30.955 32.678 32.128 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.292 33.283 33.086 1.00 0.00 H new ATOM 1231 N GLY A 76 30.427 35.219 33.091 1.00 0.00 N ATOM 1232 CA GLY A 76 29.824 36.582 33.089 1.00 0.00 C ATOM 1233 C GLY A 76 29.434 36.972 34.515 1.00 0.00 C ATOM 1234 O GLY A 76 30.311 37.384 35.256 1.00 0.00 O ATOM 1235 OXT GLY A 76 28.265 36.850 34.842 1.00 0.00 O ATOM 0 H GLY A 76 30.218 34.653 33.913 1.00 0.00 H new ATOM 0 HA2 GLY A 76 30.534 37.304 32.685 1.00 0.00 H new ATOM 0 HA3 GLY A 76 28.946 36.602 32.443 1.00 0.00 H new TER 1239 GLY A 76