USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 Set 1.1: A 7 THR OG1 : rot -69:sc= 0.634 USER MOD Set 1.2: A 9 THR OG1 : rot -47:sc= 0.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.974 (180deg=-0.679) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.0897 (180deg=-0.703) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -98:sc= 0.0887 USER MOD Single : A 20 SER OG : rot -30:sc= 0.938 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -6.26! C(o=-7.4!,f=-6.3!) USER MOD Single : A 27 LYS NZ :NH3+ 135:sc= 0.0138 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= 0.333 (180deg=-0.699) USER MOD Single : A 31 GLN : amide:sc= -0.389 K(o=-0.39,f=-2.3) USER MOD Single : A 33 LYS NZ :NH3+ 148:sc=-0.000995 (180deg=-1.66) USER MOD Single : A 40 GLN : amide:sc= -0.301! C(o=-0.3!,f=-8.3!) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.87 F(o=-3.6,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.0198 (180deg=-0.338) USER MOD Single : A 49 GLN : amide:sc= 0.638 K(o=0.64,f=-9.3!) 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= -0.476 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 63 LYS NZ :NH3+ 137:sc= -2.41! (180deg=-4.87!) USER MOD Single : A 66 THR OG1 : rot -83:sc= 0.0602 USER MOD Single : A 68 HIS : no HE2:sc= -0.404 K(o=-0.4,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.730 24.290 1.472 1.00 0.00 N ATOM 2 CA MET A 1 29.499 25.127 1.533 1.00 0.00 C ATOM 3 C MET A 1 29.791 26.400 2.319 1.00 0.00 C ATOM 4 O MET A 1 30.910 26.913 2.296 1.00 0.00 O ATOM 5 CB MET A 1 28.375 24.335 2.205 1.00 0.00 C ATOM 6 CG MET A 1 28.773 23.983 3.641 1.00 0.00 C ATOM 7 SD MET A 1 27.651 22.713 4.279 1.00 0.00 S ATOM 8 CE MET A 1 28.248 22.719 5.987 1.00 0.00 C ATOM 0 H1 MET A 1 30.471 23.307 1.251 1.00 0.00 H new ATOM 0 H2 MET A 1 31.362 24.656 0.732 1.00 0.00 H new ATOM 0 H3 MET A 1 31.217 24.321 2.390 1.00 0.00 H new ATOM 0 HA MET A 1 29.186 25.397 0.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.456 24.921 2.206 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.172 23.425 1.641 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.801 23.623 3.668 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.730 24.872 4.271 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.683 21.993 6.572 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.305 22.455 6.004 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.115 23.713 6.415 1.00 0.00 H new ATOM 20 N GLN A 2 28.776 26.906 3.021 1.00 0.00 N ATOM 21 CA GLN A 2 28.930 28.117 3.819 1.00 0.00 C ATOM 22 C GLN A 2 28.044 28.058 5.066 1.00 0.00 C ATOM 23 O GLN A 2 27.068 27.309 5.115 1.00 0.00 O ATOM 24 CB GLN A 2 28.550 29.338 2.980 1.00 0.00 C ATOM 25 CG GLN A 2 27.092 29.219 2.535 1.00 0.00 C ATOM 26 CD GLN A 2 26.765 30.310 1.521 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.839 30.079 0.315 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.407 31.493 1.941 1.00 0.00 N ATOM 0 H GLN A 2 27.843 26.496 3.052 1.00 0.00 H new ATOM 0 HA GLN A 2 29.971 28.196 4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.690 30.249 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.202 29.411 2.110 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.917 28.237 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.432 29.304 3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.346 31.682 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.188 32.228 1.269 1.00 0.00 H new ATOM 37 N ILE A 3 28.396 28.865 6.065 1.00 0.00 N ATOM 38 CA ILE A 3 27.635 28.920 7.309 1.00 0.00 C ATOM 39 C ILE A 3 27.565 30.350 7.840 1.00 0.00 C ATOM 40 O ILE A 3 28.501 31.131 7.681 1.00 0.00 O ATOM 41 CB ILE A 3 28.276 28.018 8.362 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.674 28.537 8.726 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.399 26.594 7.816 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.256 27.687 9.851 1.00 0.00 C ATOM 0 H ILE A 3 29.203 29.489 6.036 1.00 0.00 H new ATOM 0 HA ILE A 3 26.623 28.572 7.100 1.00 0.00 H new ATOM 0 HB ILE A 3 27.647 28.020 9.252 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.326 28.500 7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.617 29.580 9.037 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.857 25.954 8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.408 26.212 7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.020 26.600 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.249 28.056 10.109 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.608 27.747 10.725 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.328 26.650 9.523 1.00 0.00 H new ATOM 56 N PHE A 4 26.441 30.684 8.462 1.00 0.00 N ATOM 57 CA PHE A 4 26.232 32.025 9.012 1.00 0.00 C ATOM 58 C PHE A 4 26.572 32.051 10.495 1.00 0.00 C ATOM 59 O PHE A 4 26.090 31.213 11.253 1.00 0.00 O ATOM 60 CB PHE A 4 24.770 32.437 8.825 1.00 0.00 C ATOM 61 CG PHE A 4 24.465 32.588 7.355 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.103 31.468 6.598 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.528 33.850 6.752 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.813 31.608 5.235 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.239 33.990 5.389 1.00 0.00 C ATOM 66 CZ PHE A 4 23.877 32.870 4.632 1.00 0.00 C ATOM 0 H PHE A 4 25.657 30.046 8.600 1.00 0.00 H new ATOM 0 HA PHE A 4 26.884 32.721 8.484 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.112 31.689 9.267 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.578 33.376 9.344 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.047 30.496 7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.800 34.716 7.338 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.540 30.743 4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.295 34.962 4.922 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.647 32.979 3.582 1.00 0.00 H new ATOM 76 N VAL A 5 27.387 33.024 10.918 1.00 0.00 N ATOM 77 CA VAL A 5 27.765 33.151 12.328 1.00 0.00 C ATOM 78 C VAL A 5 27.148 34.406 12.919 1.00 0.00 C ATOM 79 O VAL A 5 27.123 35.462 12.287 1.00 0.00 O ATOM 80 CB VAL A 5 29.286 33.190 12.470 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.665 33.535 13.918 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.840 31.807 12.127 1.00 0.00 C ATOM 0 H VAL A 5 27.795 33.731 10.307 1.00 0.00 H new ATOM 0 HA VAL A 5 27.390 32.284 12.872 1.00 0.00 H new ATOM 0 HB VAL A 5 29.699 33.945 11.801 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.750 33.561 14.014 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.254 34.510 14.179 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.260 32.779 14.590 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.926 31.816 12.223 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.421 31.068 12.810 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.568 31.550 11.103 1.00 0.00 H new ATOM 92 N LYS A 6 26.654 34.276 14.142 1.00 0.00 N ATOM 93 CA LYS A 6 26.027 35.387 14.841 1.00 0.00 C ATOM 94 C LYS A 6 26.841 35.770 16.076 1.00 0.00 C ATOM 95 O LYS A 6 26.821 35.063 17.085 1.00 0.00 O ATOM 96 CB LYS A 6 24.624 34.946 15.243 1.00 0.00 C ATOM 97 CG LYS A 6 23.766 36.152 15.598 1.00 0.00 C ATOM 98 CD LYS A 6 22.321 35.680 15.774 1.00 0.00 C ATOM 99 CE LYS A 6 21.438 36.842 16.226 1.00 0.00 C ATOM 100 NZ LYS A 6 20.011 36.406 16.219 1.00 0.00 N ATOM 0 H LYS A 6 26.676 33.406 14.673 1.00 0.00 H new ATOM 0 HA LYS A 6 25.979 36.264 14.195 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.162 34.392 14.425 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.680 34.269 16.095 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.127 36.618 16.515 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.826 36.905 14.812 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.947 35.273 14.835 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.280 34.876 16.508 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.727 37.166 17.226 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.573 37.696 15.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.406 37.194 16.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.741 36.117 15.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.890 35.603 16.869 1.00 0.00 H new ATOM 114 N THR A 7 27.558 36.889 15.990 1.00 0.00 N ATOM 115 CA THR A 7 28.377 37.353 17.109 1.00 0.00 C ATOM 116 C THR A 7 27.490 37.931 18.210 1.00 0.00 C ATOM 117 O THR A 7 26.306 38.179 17.993 1.00 0.00 O ATOM 118 CB THR A 7 29.375 38.414 16.631 1.00 0.00 C ATOM 119 OG1 THR A 7 28.682 39.615 16.328 1.00 0.00 O ATOM 120 CG2 THR A 7 30.111 37.911 15.379 1.00 0.00 C ATOM 0 H THR A 7 27.589 37.487 15.164 1.00 0.00 H new ATOM 0 HA THR A 7 28.929 36.504 17.511 1.00 0.00 H new ATOM 0 HB THR A 7 30.102 38.605 17.420 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.135 39.483 15.526 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.819 38.669 15.044 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.648 36.993 15.617 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.389 37.714 14.587 1.00 0.00 H new ATOM 128 N LEU A 8 28.056 38.154 19.395 1.00 0.00 N ATOM 129 CA LEU A 8 27.276 38.700 20.499 1.00 0.00 C ATOM 130 C LEU A 8 26.958 40.177 20.272 1.00 0.00 C ATOM 131 O LEU A 8 25.998 40.702 20.834 1.00 0.00 O ATOM 132 CB LEU A 8 28.056 38.546 21.813 1.00 0.00 C ATOM 133 CG LEU A 8 29.535 38.982 21.612 1.00 0.00 C ATOM 134 CD1 LEU A 8 30.039 39.737 22.850 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.423 37.744 21.380 1.00 0.00 C ATOM 0 H LEU A 8 29.035 37.968 19.611 1.00 0.00 H new ATOM 0 HA LEU A 8 26.338 38.147 20.555 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.593 39.151 22.592 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.017 37.510 22.149 1.00 0.00 H new ATOM 0 HG LEU A 8 29.587 39.637 20.743 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.076 40.037 22.696 1.00 0.00 H new ATOM 0 HD12 LEU A 8 29.425 40.623 23.011 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.975 39.088 23.723 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.457 38.059 21.240 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.359 37.083 22.244 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.082 37.213 20.491 1.00 0.00 H new ATOM 147 N THR A 9 27.767 40.846 19.455 1.00 0.00 N ATOM 148 CA THR A 9 27.544 42.261 19.182 1.00 0.00 C ATOM 149 C THR A 9 26.396 42.438 18.192 1.00 0.00 C ATOM 150 O THR A 9 26.089 43.557 17.780 1.00 0.00 O ATOM 151 CB THR A 9 28.814 42.899 18.615 1.00 0.00 C ATOM 152 OG1 THR A 9 28.959 42.533 17.250 1.00 0.00 O ATOM 153 CG2 THR A 9 30.029 42.415 19.406 1.00 0.00 C ATOM 0 H THR A 9 28.571 40.438 18.977 1.00 0.00 H new ATOM 0 HA THR A 9 27.284 42.754 20.119 1.00 0.00 H new ATOM 0 HB THR A 9 28.741 43.984 18.695 1.00 0.00 H new ATOM 0 HG1 THR A 9 28.822 41.567 17.154 1.00 0.00 H new ATOM 0 HG21 THR A 9 30.932 42.871 19.000 1.00 0.00 H new ATOM 0 HG22 THR A 9 29.918 42.698 20.453 1.00 0.00 H new ATOM 0 HG23 THR A 9 30.104 41.330 19.330 1.00 0.00 H new ATOM 161 N GLY A 10 25.768 41.329 17.810 1.00 0.00 N ATOM 162 CA GLY A 10 24.659 41.380 16.867 1.00 0.00 C ATOM 163 C GLY A 10 25.167 41.530 15.439 1.00 0.00 C ATOM 164 O GLY A 10 24.400 41.844 14.529 1.00 0.00 O ATOM 0 H GLY A 10 26.007 40.393 18.137 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.062 40.472 16.952 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.004 42.216 17.114 1.00 0.00 H new ATOM 168 N LYS A 11 26.459 41.276 15.242 1.00 0.00 N ATOM 169 CA LYS A 11 27.054 41.354 13.910 1.00 0.00 C ATOM 170 C LYS A 11 26.979 39.989 13.239 1.00 0.00 C ATOM 171 O LYS A 11 27.331 38.974 13.844 1.00 0.00 O ATOM 172 CB LYS A 11 28.515 41.803 14.000 1.00 0.00 C ATOM 173 CG LYS A 11 29.070 42.045 12.591 1.00 0.00 C ATOM 174 CD LYS A 11 30.437 42.729 12.686 1.00 0.00 C ATOM 175 CE LYS A 11 31.044 42.861 11.286 1.00 0.00 C ATOM 176 NZ LYS A 11 30.078 43.557 10.389 1.00 0.00 N ATOM 0 H LYS A 11 27.110 41.016 15.983 1.00 0.00 H new ATOM 0 HA LYS A 11 26.500 42.085 13.320 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.589 42.715 14.592 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.108 41.043 14.509 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.162 41.098 12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.380 42.666 12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.331 43.713 13.142 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.101 42.150 13.328 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.979 43.419 11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.282 41.875 10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.582 43.932 9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.349 42.885 10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.628 44.340 10.904 1.00 0.00 H new ATOM 190 N THR A 12 26.521 39.962 11.995 1.00 0.00 N ATOM 191 CA THR A 12 26.406 38.708 11.253 1.00 0.00 C ATOM 192 C THR A 12 27.492 38.628 10.185 1.00 0.00 C ATOM 193 O THR A 12 27.566 39.481 9.302 1.00 0.00 O ATOM 194 CB THR A 12 25.034 38.632 10.582 1.00 0.00 C ATOM 195 OG1 THR A 12 24.022 38.717 11.576 1.00 0.00 O ATOM 196 CG2 THR A 12 24.903 37.304 9.827 1.00 0.00 C ATOM 0 H THR A 12 26.223 40.789 11.478 1.00 0.00 H new ATOM 0 HA THR A 12 26.523 37.876 11.948 1.00 0.00 H new ATOM 0 HB THR A 12 24.925 39.457 9.878 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.141 38.670 11.150 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.925 37.252 9.350 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.682 37.239 9.067 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.010 36.475 10.527 1.00 0.00 H new ATOM 204 N ILE A 13 28.323 37.588 10.259 1.00 0.00 N ATOM 205 CA ILE A 13 29.396 37.399 9.276 1.00 0.00 C ATOM 206 C ILE A 13 29.371 35.971 8.747 1.00 0.00 C ATOM 207 O ILE A 13 29.309 35.011 9.514 1.00 0.00 O ATOM 208 CB ILE A 13 30.756 37.678 9.919 1.00 0.00 C ATOM 209 CG1 ILE A 13 31.857 37.632 8.849 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.033 36.619 10.987 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.222 37.834 9.508 1.00 0.00 C ATOM 0 H ILE A 13 28.277 36.869 10.981 1.00 0.00 H new ATOM 0 HA ILE A 13 29.239 38.094 8.451 1.00 0.00 H new ATOM 0 HB ILE A 13 30.746 38.667 10.377 1.00 0.00 H new ATOM 0 HG12 ILE A 13 31.832 36.675 8.328 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.684 38.407 8.102 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.001 36.813 11.449 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.254 36.657 11.748 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.042 35.631 10.526 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.002 37.801 8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 13 33.245 38.802 10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.394 37.043 10.238 1.00 0.00 H new ATOM 223 N THR A 14 29.391 35.845 7.428 1.00 0.00 N ATOM 224 CA THR A 14 29.341 34.531 6.788 1.00 0.00 C ATOM 225 C THR A 14 30.731 33.906 6.711 1.00 0.00 C ATOM 226 O THR A 14 31.741 34.602 6.585 1.00 0.00 O ATOM 227 CB THR A 14 28.735 34.658 5.387 1.00 0.00 C ATOM 228 OG1 THR A 14 27.482 35.323 5.482 1.00 0.00 O ATOM 229 CG2 THR A 14 28.525 33.262 4.785 1.00 0.00 C ATOM 0 H THR A 14 29.441 36.631 6.779 1.00 0.00 H new ATOM 0 HA THR A 14 28.712 33.877 7.392 1.00 0.00 H new ATOM 0 HB THR A 14 29.410 35.227 4.748 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.760 34.661 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.094 33.357 3.788 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.483 32.747 4.718 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.849 32.690 5.420 1.00 0.00 H new ATOM 237 N LEU A 15 30.758 32.580 6.803 1.00 0.00 N ATOM 238 CA LEU A 15 32.001 31.811 6.770 1.00 0.00 C ATOM 239 C LEU A 15 31.932 30.720 5.696 1.00 0.00 C ATOM 240 O LEU A 15 30.909 30.055 5.535 1.00 0.00 O ATOM 241 CB LEU A 15 32.204 31.156 8.163 1.00 0.00 C ATOM 242 CG LEU A 15 33.643 31.350 8.669 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.808 32.770 9.222 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.928 30.337 9.782 1.00 0.00 C ATOM 0 H LEU A 15 29.920 32.007 6.903 1.00 0.00 H new ATOM 0 HA LEU A 15 32.834 32.473 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.504 31.590 8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.978 30.091 8.103 1.00 0.00 H new ATOM 0 HG LEU A 15 34.341 31.199 7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.829 32.905 9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.601 33.494 8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.111 32.923 10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.947 30.471 10.144 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.228 30.492 10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.811 29.326 9.392 1.00 0.00 H new ATOM 256 N GLU A 16 33.040 30.527 4.990 1.00 0.00 N ATOM 257 CA GLU A 16 33.114 29.488 3.961 1.00 0.00 C ATOM 258 C GLU A 16 33.867 28.294 4.530 1.00 0.00 C ATOM 259 O GLU A 16 34.990 28.437 5.012 1.00 0.00 O ATOM 260 CB GLU A 16 33.839 30.011 2.718 1.00 0.00 C ATOM 261 CG GLU A 16 33.801 28.945 1.621 1.00 0.00 C ATOM 262 CD GLU A 16 34.446 29.484 0.349 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.915 30.609 0.379 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.462 28.764 -0.636 1.00 0.00 O ATOM 0 H GLU A 16 33.895 31.070 5.107 1.00 0.00 H new ATOM 0 HA GLU A 16 32.105 29.195 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.366 30.928 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.872 30.259 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.326 28.050 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.770 28.654 1.421 1.00 0.00 H new ATOM 271 N VAL A 17 33.253 27.113 4.478 1.00 0.00 N ATOM 272 CA VAL A 17 33.892 25.906 5.006 1.00 0.00 C ATOM 273 C VAL A 17 33.490 24.681 4.199 1.00 0.00 C ATOM 274 O VAL A 17 32.527 24.697 3.434 1.00 0.00 O ATOM 275 CB VAL A 17 33.525 25.717 6.495 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.032 25.983 6.719 1.00 0.00 C ATOM 277 CG2 VAL A 17 33.846 24.295 6.979 1.00 0.00 C ATOM 0 H VAL A 17 32.325 26.965 4.081 1.00 0.00 H new ATOM 0 HA VAL A 17 34.972 26.025 4.923 1.00 0.00 H new ATOM 0 HB VAL A 17 34.122 26.430 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 17 31.792 25.845 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.796 27.005 6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.445 25.288 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 17 33.575 24.199 8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.279 23.574 6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 17 34.912 24.102 6.860 1.00 0.00 H new ATOM 287 N GLU A 18 34.246 23.621 4.410 1.00 0.00 N ATOM 288 CA GLU A 18 33.993 22.339 3.742 1.00 0.00 C ATOM 289 C GLU A 18 33.183 21.423 4.674 1.00 0.00 C ATOM 290 O GLU A 18 33.557 21.248 5.831 1.00 0.00 O ATOM 291 CB GLU A 18 35.309 21.661 3.370 1.00 0.00 C ATOM 292 CG GLU A 18 36.116 22.589 2.463 1.00 0.00 C ATOM 293 CD GLU A 18 37.268 21.822 1.824 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.995 20.897 1.078 1.00 0.00 O ATOM 295 OE2 GLU A 18 38.405 22.173 2.090 1.00 0.00 O ATOM 0 H GLU A 18 35.047 23.613 5.041 1.00 0.00 H new ATOM 0 HA GLU A 18 33.426 22.525 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.878 21.428 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 18 35.114 20.716 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.471 23.005 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.503 23.429 3.040 1.00 0.00 H new ATOM 302 N PRO A 19 32.092 20.836 4.238 1.00 0.00 N ATOM 303 CA PRO A 19 31.288 19.937 5.121 1.00 0.00 C ATOM 304 C PRO A 19 32.157 18.897 5.838 1.00 0.00 C ATOM 305 O PRO A 19 31.820 18.438 6.930 1.00 0.00 O ATOM 306 CB PRO A 19 30.301 19.263 4.154 1.00 0.00 C ATOM 307 CG PRO A 19 30.155 20.222 3.016 1.00 0.00 C ATOM 308 CD PRO A 19 31.494 20.950 2.892 1.00 0.00 C ATOM 0 HA PRO A 19 30.795 20.486 5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.680 18.300 3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.342 19.075 4.637 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.912 19.696 2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.345 20.927 3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.128 20.491 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.356 21.992 2.604 1.00 0.00 H new ATOM 316 N SER A 20 33.272 18.528 5.213 1.00 0.00 N ATOM 317 CA SER A 20 34.179 17.538 5.795 1.00 0.00 C ATOM 318 C SER A 20 35.173 18.201 6.746 1.00 0.00 C ATOM 319 O SER A 20 36.031 17.536 7.327 1.00 0.00 O ATOM 320 CB SER A 20 34.943 16.822 4.680 1.00 0.00 C ATOM 321 OG SER A 20 35.833 15.873 5.254 1.00 0.00 O ATOM 0 H SER A 20 33.569 18.896 4.309 1.00 0.00 H new ATOM 0 HA SER A 20 33.585 16.819 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.245 16.323 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 20 35.499 17.544 4.083 1.00 0.00 H new ATOM 0 HG SER A 20 36.127 16.191 6.133 1.00 0.00 H new ATOM 327 N ASP A 21 35.025 19.508 6.922 1.00 0.00 N ATOM 328 CA ASP A 21 35.888 20.254 7.826 1.00 0.00 C ATOM 329 C ASP A 21 35.545 19.927 9.273 1.00 0.00 C ATOM 330 O ASP A 21 34.391 19.630 9.598 1.00 0.00 O ATOM 331 CB ASP A 21 35.736 21.752 7.582 1.00 0.00 C ATOM 332 CG ASP A 21 36.937 22.509 8.131 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.796 21.873 8.717 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.983 23.716 7.953 1.00 0.00 O ATOM 0 H ASP A 21 34.317 20.071 6.451 1.00 0.00 H new ATOM 0 HA ASP A 21 36.922 19.967 7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.636 21.944 6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.824 22.113 8.057 1.00 0.00 H new ATOM 339 N THR A 22 36.542 20.009 10.142 1.00 0.00 N ATOM 340 CA THR A 22 36.335 19.747 11.562 1.00 0.00 C ATOM 341 C THR A 22 35.880 21.013 12.281 1.00 0.00 C ATOM 342 O THR A 22 35.898 22.111 11.713 1.00 0.00 O ATOM 343 CB THR A 22 37.627 19.227 12.199 1.00 0.00 C ATOM 344 OG1 THR A 22 38.644 20.210 12.078 1.00 0.00 O ATOM 345 CG2 THR A 22 38.063 17.944 11.487 1.00 0.00 C ATOM 0 H THR A 22 37.500 20.254 9.892 1.00 0.00 H new ATOM 0 HA THR A 22 35.558 18.989 11.659 1.00 0.00 H new ATOM 0 HB THR A 22 37.455 19.015 13.254 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.470 19.878 12.487 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.983 17.572 11.939 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.281 17.191 11.583 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.236 18.154 10.432 1.00 0.00 H new ATOM 353 N ILE A 23 35.501 20.864 13.540 1.00 0.00 N ATOM 354 CA ILE A 23 35.077 22.020 14.321 1.00 0.00 C ATOM 355 C ILE A 23 36.294 22.865 14.691 1.00 0.00 C ATOM 356 O ILE A 23 36.289 24.080 14.517 1.00 0.00 O ATOM 357 CB ILE A 23 34.334 21.568 15.581 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.318 20.477 15.217 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.594 22.755 16.201 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.472 20.920 14.019 1.00 0.00 C ATOM 0 H ILE A 23 35.477 19.974 14.037 1.00 0.00 H new ATOM 0 HA ILE A 23 34.396 22.625 13.722 1.00 0.00 H new ATOM 0 HB ILE A 23 35.056 21.174 16.297 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.839 19.549 14.980 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.673 20.271 16.071 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.067 22.427 17.097 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.311 23.533 16.465 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.876 23.152 15.483 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.755 20.137 13.771 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.937 21.836 14.270 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.121 21.102 13.163 1.00 0.00 H new ATOM 372 N GLU A 24 37.344 22.211 15.177 1.00 0.00 N ATOM 373 CA GLU A 24 38.566 22.919 15.543 1.00 0.00 C ATOM 374 C GLU A 24 38.992 23.830 14.400 1.00 0.00 C ATOM 375 O GLU A 24 39.680 24.830 14.604 1.00 0.00 O ATOM 376 CB GLU A 24 39.687 21.923 15.845 1.00 0.00 C ATOM 377 CG GLU A 24 39.179 20.848 16.807 1.00 0.00 C ATOM 378 CD GLU A 24 38.748 21.488 18.122 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.585 21.609 19.001 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.587 21.848 18.231 1.00 0.00 O ATOM 0 H GLU A 24 37.374 21.202 15.326 1.00 0.00 H new ATOM 0 HA GLU A 24 38.372 23.515 16.434 1.00 0.00 H new ATOM 0 HB2 GLU A 24 40.035 21.462 14.921 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.539 22.442 16.283 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.340 20.315 16.360 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.962 20.113 16.990 1.00 0.00 H new ATOM 387 N ASN A 25 38.552 23.486 13.196 1.00 0.00 N ATOM 388 CA ASN A 25 38.873 24.292 12.022 1.00 0.00 C ATOM 389 C ASN A 25 38.001 25.538 12.007 1.00 0.00 C ATOM 390 O ASN A 25 38.504 26.659 12.087 1.00 0.00 O ATOM 391 CB ASN A 25 38.650 23.493 10.738 1.00 0.00 C ATOM 392 CG ASN A 25 39.257 24.239 9.553 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.714 25.452 9.720 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 39.315 23.705 8.446 1.00 0.00 N flip ATOM 0 H ASN A 25 37.978 22.664 13.006 1.00 0.00 H new ATOM 0 HA ASN A 25 39.924 24.578 12.073 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.104 22.506 10.829 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.583 23.339 10.575 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.958 22.758 8.317 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.720 24.209 7.657 1.00 0.00 H new ATOM 401 N VAL A 26 36.689 25.335 11.909 1.00 0.00 N ATOM 402 CA VAL A 26 35.751 26.456 11.896 1.00 0.00 C ATOM 403 C VAL A 26 36.133 27.481 12.950 1.00 0.00 C ATOM 404 O VAL A 26 35.908 28.687 12.789 1.00 0.00 O ATOM 405 CB VAL A 26 34.340 25.951 12.154 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.368 27.139 12.183 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.956 24.991 11.035 1.00 0.00 C ATOM 0 H VAL A 26 36.254 24.415 11.838 1.00 0.00 H new ATOM 0 HA VAL A 26 35.790 26.932 10.916 1.00 0.00 H new ATOM 0 HB VAL A 26 34.294 25.435 13.113 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.357 26.777 12.368 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.658 27.827 12.977 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.398 27.657 11.225 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.946 24.619 11.205 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.994 25.513 10.079 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.653 24.153 11.019 1.00 0.00 H new ATOM 417 N LYS A 27 36.743 26.991 14.015 1.00 0.00 N ATOM 418 CA LYS A 27 37.185 27.855 15.095 1.00 0.00 C ATOM 419 C LYS A 27 38.406 28.638 14.652 1.00 0.00 C ATOM 420 O LYS A 27 38.470 29.858 14.807 1.00 0.00 O ATOM 421 CB LYS A 27 37.534 27.015 16.328 1.00 0.00 C ATOM 422 CG LYS A 27 36.265 26.357 16.885 1.00 0.00 C ATOM 423 CD LYS A 27 36.490 25.936 18.341 1.00 0.00 C ATOM 424 CE LYS A 27 35.171 25.450 18.940 1.00 0.00 C ATOM 425 NZ LYS A 27 35.367 25.130 20.381 1.00 0.00 N ATOM 0 H LYS A 27 36.943 26.001 14.155 1.00 0.00 H new ATOM 0 HA LYS A 27 36.382 28.546 15.350 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.265 26.251 16.064 1.00 0.00 H new ATOM 0 HB3 LYS A 27 37.993 27.645 17.090 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.428 27.052 16.824 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.002 25.487 16.283 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.238 25.145 18.391 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.876 26.776 18.918 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.404 26.217 18.828 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.820 24.567 18.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.581 25.527 20.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.393 24.098 20.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.264 25.542 20.709 1.00 0.00 H new ATOM 439 N ALA A 28 39.372 27.921 14.098 1.00 0.00 N ATOM 440 CA ALA A 28 40.598 28.538 13.628 1.00 0.00 C ATOM 441 C ALA A 28 40.289 29.692 12.675 1.00 0.00 C ATOM 442 O ALA A 28 40.972 30.717 12.689 1.00 0.00 O ATOM 443 CB ALA A 28 41.443 27.484 12.914 1.00 0.00 C ATOM 0 H ALA A 28 39.328 26.911 13.964 1.00 0.00 H new ATOM 0 HA ALA A 28 41.147 28.938 14.480 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.367 27.939 12.557 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.680 26.677 13.607 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.886 27.083 12.068 1.00 0.00 H new ATOM 449 N LYS A 29 39.249 29.522 11.863 1.00 0.00 N ATOM 450 CA LYS A 29 38.859 30.572 10.929 1.00 0.00 C ATOM 451 C LYS A 29 38.405 31.810 11.703 1.00 0.00 C ATOM 452 O LYS A 29 39.025 32.871 11.615 1.00 0.00 O ATOM 453 CB LYS A 29 37.740 30.079 10.018 1.00 0.00 C ATOM 454 CG LYS A 29 38.328 29.149 8.948 1.00 0.00 C ATOM 455 CD LYS A 29 37.215 28.325 8.306 1.00 0.00 C ATOM 456 CE LYS A 29 37.824 27.166 7.506 1.00 0.00 C ATOM 457 NZ LYS A 29 36.859 26.720 6.461 1.00 0.00 N ATOM 0 H LYS A 29 38.671 28.682 11.832 1.00 0.00 H new ATOM 0 HA LYS A 29 39.718 30.835 10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.987 29.550 10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.241 30.925 9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.843 29.736 8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.069 28.488 9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.547 27.937 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.614 28.956 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.758 27.482 7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 29 38.064 26.337 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.380 26.315 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.224 26.000 6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.299 27.534 6.136 1.00 0.00 H new ATOM 471 N ILE A 30 37.310 31.670 12.448 1.00 0.00 N ATOM 472 CA ILE A 30 36.769 32.776 13.221 1.00 0.00 C ATOM 473 C ILE A 30 37.855 33.430 14.083 1.00 0.00 C ATOM 474 O ILE A 30 37.903 34.654 14.206 1.00 0.00 O ATOM 475 CB ILE A 30 35.632 32.243 14.101 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.409 31.939 13.228 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.252 33.287 15.150 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.415 31.091 14.023 1.00 0.00 C ATOM 0 H ILE A 30 36.783 30.800 12.530 1.00 0.00 H new ATOM 0 HA ILE A 30 36.389 33.540 12.543 1.00 0.00 H new ATOM 0 HB ILE A 30 35.965 31.333 14.600 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.937 32.868 12.908 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.715 31.410 12.326 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.444 32.901 15.771 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.117 33.506 15.775 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.923 34.200 14.653 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.545 30.874 13.404 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.891 30.156 14.321 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.100 31.637 14.912 1.00 0.00 H new ATOM 490 N GLN A 31 38.718 32.615 14.678 1.00 0.00 N ATOM 491 CA GLN A 31 39.786 33.142 15.524 1.00 0.00 C ATOM 492 C GLN A 31 40.647 34.127 14.740 1.00 0.00 C ATOM 493 O GLN A 31 40.760 35.299 15.101 1.00 0.00 O ATOM 494 CB GLN A 31 40.665 31.996 16.041 1.00 0.00 C ATOM 495 CG GLN A 31 41.865 32.567 16.805 1.00 0.00 C ATOM 496 CD GLN A 31 42.584 31.457 17.560 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.739 31.534 18.779 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.037 30.423 16.906 1.00 0.00 N ATOM 0 H GLN A 31 38.702 31.599 14.593 1.00 0.00 H new ATOM 0 HA GLN A 31 39.332 33.659 16.369 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.083 31.345 16.693 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.010 31.385 15.207 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.553 33.048 16.110 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.529 33.334 17.503 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.907 30.361 15.896 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.521 29.676 17.405 1.00 0.00 H new ATOM 507 N ASP A 32 41.264 33.627 13.683 1.00 0.00 N ATOM 508 CA ASP A 32 42.137 34.451 12.859 1.00 0.00 C ATOM 509 C ASP A 32 41.454 35.755 12.428 1.00 0.00 C ATOM 510 O ASP A 32 42.103 36.797 12.348 1.00 0.00 O ATOM 511 CB ASP A 32 42.579 33.663 11.622 1.00 0.00 C ATOM 512 CG ASP A 32 43.427 32.466 12.042 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.413 32.675 12.729 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.078 31.357 11.669 1.00 0.00 O ATOM 0 H ASP A 32 41.178 32.659 13.375 1.00 0.00 H new ATOM 0 HA ASP A 32 43.007 34.716 13.460 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.705 33.323 11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.151 34.308 10.955 1.00 0.00 H new ATOM 519 N LYS A 33 40.156 35.694 12.125 1.00 0.00 N ATOM 520 CA LYS A 33 39.432 36.887 11.674 1.00 0.00 C ATOM 521 C LYS A 33 39.077 37.853 12.812 1.00 0.00 C ATOM 522 O LYS A 33 39.152 39.068 12.629 1.00 0.00 O ATOM 523 CB LYS A 33 38.143 36.480 10.968 1.00 0.00 C ATOM 524 CG LYS A 33 38.460 35.652 9.722 1.00 0.00 C ATOM 525 CD LYS A 33 37.153 35.119 9.125 1.00 0.00 C ATOM 526 CE LYS A 33 37.450 34.330 7.847 1.00 0.00 C ATOM 527 NZ LYS A 33 36.174 33.812 7.276 1.00 0.00 N ATOM 0 H LYS A 33 39.591 34.847 12.182 1.00 0.00 H new ATOM 0 HA LYS A 33 40.107 37.409 10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.515 35.903 11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.577 37.369 10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.986 36.263 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.120 34.824 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.646 34.480 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.479 35.947 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.953 34.969 7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.125 33.503 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 36.248 33.773 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 35.990 32.857 7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.392 34.443 7.544 1.00 0.00 H new ATOM 541 N GLU A 34 38.645 37.329 13.966 1.00 0.00 N ATOM 542 CA GLU A 34 38.234 38.194 15.089 1.00 0.00 C ATOM 543 C GLU A 34 39.203 38.146 16.270 1.00 0.00 C ATOM 544 O GLU A 34 38.934 38.740 17.313 1.00 0.00 O ATOM 545 CB GLU A 34 36.845 37.769 15.578 1.00 0.00 C ATOM 546 CG GLU A 34 35.843 37.831 14.424 1.00 0.00 C ATOM 547 CD GLU A 34 34.418 37.795 14.970 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.054 38.719 15.680 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.714 36.845 14.672 1.00 0.00 O ATOM 0 H GLU A 34 38.570 36.328 14.150 1.00 0.00 H new ATOM 0 HA GLU A 34 38.227 39.216 14.711 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.886 36.757 15.981 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.520 38.422 16.388 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.997 38.742 13.846 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.003 36.992 13.746 1.00 0.00 H new ATOM 556 N GLY A 35 40.348 37.503 16.107 1.00 0.00 N ATOM 557 CA GLY A 35 41.335 37.457 17.183 1.00 0.00 C ATOM 558 C GLY A 35 40.776 36.876 18.484 1.00 0.00 C ATOM 559 O GLY A 35 41.370 37.053 19.548 1.00 0.00 O ATOM 0 H GLY A 35 40.618 37.011 15.255 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.187 36.859 16.861 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.706 38.464 17.371 1.00 0.00 H new ATOM 563 N ILE A 36 39.640 36.182 18.406 1.00 0.00 N ATOM 564 CA ILE A 36 39.029 35.582 19.592 1.00 0.00 C ATOM 565 C ILE A 36 39.548 34.146 19.794 1.00 0.00 C ATOM 566 O ILE A 36 39.586 33.373 18.839 1.00 0.00 O ATOM 567 CB ILE A 36 37.519 35.552 19.405 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.047 36.970 19.099 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.853 35.048 20.686 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.528 37.013 19.055 1.00 0.00 C ATOM 0 H ILE A 36 39.127 36.022 17.539 1.00 0.00 H new ATOM 0 HA ILE A 36 39.289 36.174 20.469 1.00 0.00 H new ATOM 0 HB ILE A 36 37.252 34.884 18.586 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.417 37.658 19.860 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.456 37.301 18.144 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.772 35.027 20.550 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.210 34.043 20.910 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.102 35.714 21.512 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.199 38.029 18.836 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.167 36.339 18.278 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.127 36.702 20.020 1.00 0.00 H new ATOM 582 N PRO A 37 39.928 33.757 21.000 1.00 0.00 N ATOM 583 CA PRO A 37 40.425 32.368 21.264 1.00 0.00 C ATOM 584 C PRO A 37 39.273 31.350 21.311 1.00 0.00 C ATOM 585 O PRO A 37 38.152 31.693 21.689 1.00 0.00 O ATOM 586 CB PRO A 37 41.113 32.489 22.628 1.00 0.00 C ATOM 587 CG PRO A 37 40.374 33.585 23.326 1.00 0.00 C ATOM 588 CD PRO A 37 39.938 34.571 22.234 1.00 0.00 C ATOM 0 HA PRO A 37 41.090 32.006 20.480 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.055 31.554 23.186 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.170 32.730 22.519 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.511 33.192 23.863 1.00 0.00 H new ATOM 0 HG3 PRO A 37 41.010 34.076 24.062 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.954 34.989 22.444 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.630 35.409 22.154 1.00 0.00 H new ATOM 596 N PRO A 38 39.520 30.113 20.939 1.00 0.00 N ATOM 597 CA PRO A 38 38.469 29.045 20.929 1.00 0.00 C ATOM 598 C PRO A 38 37.975 28.684 22.333 1.00 0.00 C ATOM 599 O PRO A 38 36.886 28.134 22.490 1.00 0.00 O ATOM 600 CB PRO A 38 39.174 27.854 20.261 1.00 0.00 C ATOM 601 CG PRO A 38 40.616 28.072 20.553 1.00 0.00 C ATOM 602 CD PRO A 38 40.822 29.583 20.492 1.00 0.00 C ATOM 0 HA PRO A 38 37.569 29.365 20.404 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.824 26.905 20.668 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.984 27.830 19.188 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.881 27.679 21.535 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.245 27.561 19.825 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.634 29.906 21.143 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.069 29.916 19.484 1.00 0.00 H new ATOM 610 N ASP A 39 38.781 28.986 23.343 1.00 0.00 N ATOM 611 CA ASP A 39 38.403 28.673 24.718 1.00 0.00 C ATOM 612 C ASP A 39 37.295 29.600 25.201 1.00 0.00 C ATOM 613 O ASP A 39 36.515 29.241 26.083 1.00 0.00 O ATOM 614 CB ASP A 39 39.616 28.806 25.641 1.00 0.00 C ATOM 615 CG ASP A 39 40.663 27.759 25.280 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.388 26.585 25.469 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.723 28.146 24.818 1.00 0.00 O ATOM 0 H ASP A 39 39.688 29.441 23.241 1.00 0.00 H new ATOM 0 HA ASP A 39 38.037 27.647 24.742 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.043 29.805 25.552 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.309 28.682 26.679 1.00 0.00 H new ATOM 622 N GLN A 40 37.245 30.802 24.636 1.00 0.00 N ATOM 623 CA GLN A 40 36.238 31.783 25.041 1.00 0.00 C ATOM 624 C GLN A 40 34.954 31.638 24.237 1.00 0.00 C ATOM 625 O GLN A 40 33.907 32.144 24.641 1.00 0.00 O ATOM 626 CB GLN A 40 36.783 33.200 24.856 1.00 0.00 C ATOM 627 CG GLN A 40 37.901 33.450 25.873 1.00 0.00 C ATOM 628 CD GLN A 40 37.309 33.669 27.260 1.00 0.00 C ATOM 629 OE1 GLN A 40 37.216 32.730 28.051 1.00 0.00 O ATOM 630 NE2 GLN A 40 36.904 34.860 27.608 1.00 0.00 N ATOM 0 H GLN A 40 37.881 31.120 23.905 1.00 0.00 H new ATOM 0 HA GLN A 40 36.010 31.601 26.091 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.163 33.326 23.842 1.00 0.00 H new ATOM 0 HB3 GLN A 40 35.984 33.929 24.990 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.584 32.600 25.891 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.484 34.322 25.577 1.00 0.00 H new ATOM 0 HE21 GLN A 40 36.982 35.637 26.952 1.00 0.00 H new ATOM 0 HE22 GLN A 40 36.510 35.014 28.536 1.00 0.00 H new ATOM 639 N GLN A 41 35.028 30.961 23.087 1.00 0.00 N ATOM 640 CA GLN A 41 33.857 30.783 22.230 1.00 0.00 C ATOM 641 C GLN A 41 33.277 29.375 22.339 1.00 0.00 C ATOM 642 O GLN A 41 34.005 28.392 22.477 1.00 0.00 O ATOM 643 CB GLN A 41 34.250 31.047 20.774 1.00 0.00 C ATOM 644 CG GLN A 41 34.672 32.510 20.613 1.00 0.00 C ATOM 645 CD GLN A 41 35.282 32.724 19.231 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.995 33.807 18.561 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 36.039 31.883 18.748 1.00 0.00 N flip ATOM 0 H GLN A 41 35.882 30.531 22.732 1.00 0.00 H new ATOM 0 HA GLN A 41 33.095 31.489 22.560 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.068 30.388 20.482 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.411 30.825 20.114 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.809 33.163 20.745 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.394 32.776 21.384 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.263 31.037 19.272 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.443 32.032 17.823 1.00 0.00 H new ATOM 656 N ARG A 42 31.951 29.302 22.250 1.00 0.00 N ATOM 657 CA ARG A 42 31.224 28.035 22.304 1.00 0.00 C ATOM 658 C ARG A 42 30.246 28.015 21.140 1.00 0.00 C ATOM 659 O ARG A 42 29.502 28.975 20.937 1.00 0.00 O ATOM 660 CB ARG A 42 30.458 27.921 23.629 1.00 0.00 C ATOM 661 CG ARG A 42 31.444 27.776 24.807 1.00 0.00 C ATOM 662 CD ARG A 42 31.776 26.297 25.038 1.00 0.00 C ATOM 663 NE ARG A 42 30.617 25.601 25.587 1.00 0.00 N ATOM 664 CZ ARG A 42 30.262 25.751 26.860 1.00 0.00 C ATOM 665 NH1 ARG A 42 29.217 25.122 27.326 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.959 26.527 27.645 1.00 0.00 N ATOM 0 H ARG A 42 31.350 30.119 22.138 1.00 0.00 H new ATOM 0 HA ARG A 42 31.918 27.197 22.239 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.835 28.804 23.774 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.789 27.061 23.598 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.357 28.333 24.598 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.009 28.204 25.710 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.077 25.833 24.099 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.620 26.209 25.722 1.00 0.00 H new ATOM 0 HE ARG A 42 30.069 24.988 24.983 1.00 0.00 H new ATOM 0 HH11 ARG A 42 28.672 24.515 26.714 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.946 25.238 28.302 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.776 27.018 27.282 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.687 26.642 28.621 1.00 0.00 H new ATOM 680 N LEU A 43 30.252 26.941 20.354 1.00 0.00 N ATOM 681 CA LEU A 43 29.361 26.857 19.198 1.00 0.00 C ATOM 682 C LEU A 43 28.067 26.134 19.542 1.00 0.00 C ATOM 683 O LEU A 43 28.068 24.946 19.883 1.00 0.00 O ATOM 684 CB LEU A 43 30.053 26.117 18.061 1.00 0.00 C ATOM 685 CG LEU A 43 31.464 26.664 17.826 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.961 26.166 16.474 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.455 28.192 17.825 1.00 0.00 C ATOM 0 H LEU A 43 30.853 26.129 20.492 1.00 0.00 H new ATOM 0 HA LEU A 43 29.120 27.876 18.893 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.106 25.054 18.294 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.465 26.214 17.148 1.00 0.00 H new ATOM 0 HG LEU A 43 32.119 26.320 18.626 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.966 26.548 16.293 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.981 25.076 16.473 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.292 26.517 15.688 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.466 28.562 17.657 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.800 28.551 17.031 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.092 28.554 18.787 1.00 0.00 H new ATOM 699 N ILE A 44 26.962 26.868 19.440 1.00 0.00 N ATOM 700 CA ILE A 44 25.634 26.317 19.735 1.00 0.00 C ATOM 701 C ILE A 44 24.792 26.168 18.467 1.00 0.00 C ATOM 702 O ILE A 44 24.538 27.149 17.755 1.00 0.00 O ATOM 703 CB ILE A 44 24.893 27.242 20.709 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.787 27.566 21.916 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.607 26.563 21.188 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.316 26.276 22.554 1.00 0.00 C ATOM 0 H ILE A 44 26.956 27.847 19.155 1.00 0.00 H new ATOM 0 HA ILE A 44 25.778 25.331 20.177 1.00 0.00 H new ATOM 0 HB ILE A 44 24.643 28.170 20.194 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.622 28.191 21.600 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.221 28.137 22.652 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.083 27.223 21.880 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.966 26.352 20.332 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.855 25.630 21.694 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.947 26.524 23.407 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.478 25.665 22.889 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.900 25.720 21.820 1.00 0.00 H new ATOM 718 N PHE A 45 24.347 24.935 18.200 1.00 0.00 N ATOM 719 CA PHE A 45 23.514 24.646 17.036 1.00 0.00 C ATOM 720 C PHE A 45 22.424 23.650 17.425 1.00 0.00 C ATOM 721 O PHE A 45 22.715 22.569 17.934 1.00 0.00 O ATOM 722 CB PHE A 45 24.365 24.044 15.919 1.00 0.00 C ATOM 723 CG PHE A 45 23.548 23.929 14.656 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.523 24.982 13.737 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.830 22.759 14.401 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.775 24.866 12.560 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.078 22.641 13.224 1.00 0.00 C ATOM 728 CZ PHE A 45 22.053 23.694 12.302 1.00 0.00 C ATOM 0 H PHE A 45 24.553 24.121 18.779 1.00 0.00 H new ATOM 0 HA PHE A 45 23.062 25.574 16.685 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.241 24.668 15.740 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.730 23.061 16.217 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.081 25.885 13.935 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.854 21.945 15.110 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.754 25.680 11.851 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.518 21.738 13.029 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.478 23.603 11.393 1.00 0.00 H new ATOM 738 N ALA A 46 21.172 24.023 17.190 1.00 0.00 N ATOM 739 CA ALA A 46 20.052 23.151 17.526 1.00 0.00 C ATOM 740 C ALA A 46 20.132 22.690 18.982 1.00 0.00 C ATOM 741 O ALA A 46 19.779 21.556 19.304 1.00 0.00 O ATOM 742 CB ALA A 46 20.049 21.932 16.603 1.00 0.00 C ATOM 0 H ALA A 46 20.907 24.915 16.772 1.00 0.00 H new ATOM 0 HA ALA A 46 19.129 23.716 17.393 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.210 21.284 16.859 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.952 22.260 15.568 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.982 21.382 16.724 1.00 0.00 H new ATOM 748 N GLY A 47 20.583 23.582 19.857 1.00 0.00 N ATOM 749 CA GLY A 47 20.688 23.266 21.281 1.00 0.00 C ATOM 750 C GLY A 47 21.730 22.181 21.559 1.00 0.00 C ATOM 751 O GLY A 47 21.716 21.564 22.623 1.00 0.00 O ATOM 0 H GLY A 47 20.881 24.526 19.609 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.950 24.169 21.833 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.717 22.937 21.651 1.00 0.00 H new ATOM 755 N LYS A 48 22.640 21.956 20.608 1.00 0.00 N ATOM 756 CA LYS A 48 23.697 20.944 20.778 1.00 0.00 C ATOM 757 C LYS A 48 25.071 21.573 20.593 1.00 0.00 C ATOM 758 O LYS A 48 25.334 22.202 19.567 1.00 0.00 O ATOM 759 CB LYS A 48 23.528 19.826 19.756 1.00 0.00 C ATOM 760 CG LYS A 48 22.162 19.160 19.926 1.00 0.00 C ATOM 761 CD LYS A 48 22.020 18.022 18.911 1.00 0.00 C ATOM 762 CE LYS A 48 20.636 17.385 19.045 1.00 0.00 C ATOM 763 NZ LYS A 48 19.603 18.346 18.571 1.00 0.00 N ATOM 0 H LYS A 48 22.671 22.454 19.718 1.00 0.00 H new ATOM 0 HA LYS A 48 23.615 20.537 21.786 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.622 20.228 18.747 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.319 19.087 19.880 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.058 18.773 20.940 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.368 19.892 19.781 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.159 18.404 17.900 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.794 17.273 19.079 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.588 16.466 18.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.447 17.114 20.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.719 17.835 18.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.431 19.061 19.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.936 18.814 17.704 1.00 0.00 H new ATOM 777 N GLN A 49 25.963 21.387 21.567 1.00 0.00 N ATOM 778 CA GLN A 49 27.307 21.928 21.457 1.00 0.00 C ATOM 779 C GLN A 49 28.136 21.077 20.507 1.00 0.00 C ATOM 780 O GLN A 49 28.124 19.850 20.591 1.00 0.00 O ATOM 781 CB GLN A 49 27.978 21.968 22.821 1.00 0.00 C ATOM 782 CG GLN A 49 27.311 23.035 23.689 1.00 0.00 C ATOM 783 CD GLN A 49 27.819 22.934 25.122 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.920 23.394 25.426 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.076 22.359 26.028 1.00 0.00 N ATOM 0 H GLN A 49 25.778 20.872 22.428 1.00 0.00 H new ATOM 0 HA GLN A 49 27.238 22.943 21.067 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.903 20.993 23.303 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.040 22.187 22.709 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.523 24.026 23.288 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.229 22.908 23.668 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.164 21.979 25.774 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.407 22.290 26.990 1.00 0.00 H new ATOM 794 N LEU A 50 28.828 21.728 19.587 1.00 0.00 N ATOM 795 CA LEU A 50 29.628 21.002 18.611 1.00 0.00 C ATOM 796 C LEU A 50 30.848 20.362 19.273 1.00 0.00 C ATOM 797 O LEU A 50 31.537 20.992 20.075 1.00 0.00 O ATOM 798 CB LEU A 50 30.063 21.949 17.493 1.00 0.00 C ATOM 799 CG LEU A 50 28.883 22.211 16.546 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.686 22.759 17.330 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.298 23.230 15.484 1.00 0.00 C ATOM 0 H LEU A 50 28.854 22.743 19.494 1.00 0.00 H new ATOM 0 HA LEU A 50 29.019 20.204 18.186 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.417 22.889 17.917 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.896 21.515 16.940 1.00 0.00 H new ATOM 0 HG LEU A 50 28.599 21.273 16.069 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.856 22.941 16.647 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.383 22.034 18.085 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.967 23.693 17.816 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.461 23.416 14.812 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.589 24.162 15.968 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.141 22.839 14.914 1.00 0.00 H new ATOM 813 N GLU A 51 31.094 19.099 18.928 1.00 0.00 N ATOM 814 CA GLU A 51 32.214 18.353 19.480 1.00 0.00 C ATOM 815 C GLU A 51 33.541 18.831 18.898 1.00 0.00 C ATOM 816 O GLU A 51 33.680 18.982 17.685 1.00 0.00 O ATOM 817 CB GLU A 51 32.019 16.863 19.186 1.00 0.00 C ATOM 818 CG GLU A 51 32.838 16.035 20.168 1.00 0.00 C ATOM 819 CD GLU A 51 32.821 14.568 19.752 1.00 0.00 C ATOM 820 OE1 GLU A 51 31.899 13.873 20.148 1.00 0.00 O ATOM 821 OE2 GLU A 51 33.724 14.164 19.040 1.00 0.00 O ATOM 0 H GLU A 51 30.526 18.572 18.264 1.00 0.00 H new ATOM 0 HA GLU A 51 32.245 18.519 20.557 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.964 16.602 19.266 1.00 0.00 H new ATOM 0 HB3 GLU A 51 32.326 16.641 18.164 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.864 16.401 20.198 1.00 0.00 H new ATOM 0 HG3 GLU A 51 32.432 16.141 21.174 1.00 0.00 H new ATOM 828 N ASP A 52 34.510 19.077 19.775 1.00 0.00 N ATOM 829 CA ASP A 52 35.817 19.552 19.364 1.00 0.00 C ATOM 830 C ASP A 52 36.558 18.561 18.459 1.00 0.00 C ATOM 831 O ASP A 52 37.772 18.672 18.302 1.00 0.00 O ATOM 832 CB ASP A 52 36.672 19.818 20.608 1.00 0.00 C ATOM 833 CG ASP A 52 35.951 20.779 21.544 1.00 0.00 C ATOM 834 OD1 ASP A 52 35.561 21.840 21.085 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.799 20.442 22.707 1.00 0.00 O ATOM 0 H ASP A 52 34.408 18.952 20.782 1.00 0.00 H new ATOM 0 HA ASP A 52 35.658 20.464 18.789 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.877 18.880 21.125 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.634 20.238 20.314 1.00 0.00 H new ATOM 840 N GLY A 53 35.856 17.587 17.862 1.00 0.00 N ATOM 841 CA GLY A 53 36.545 16.617 16.998 1.00 0.00 C ATOM 842 C GLY A 53 35.642 15.995 15.927 1.00 0.00 C ATOM 843 O GLY A 53 35.997 14.968 15.349 1.00 0.00 O ATOM 0 H GLY A 53 34.849 17.451 17.955 1.00 0.00 H new ATOM 0 HA2 GLY A 53 37.385 17.111 16.510 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.959 15.822 17.618 1.00 0.00 H new ATOM 847 N ARG A 54 34.489 16.609 15.647 1.00 0.00 N ATOM 848 CA ARG A 54 33.574 16.078 14.619 1.00 0.00 C ATOM 849 C ARG A 54 33.592 16.947 13.360 1.00 0.00 C ATOM 850 O ARG A 54 34.239 17.999 13.315 1.00 0.00 O ATOM 851 CB ARG A 54 32.138 15.991 15.172 1.00 0.00 C ATOM 852 CG ARG A 54 31.964 14.699 15.991 1.00 0.00 C ATOM 853 CD ARG A 54 30.502 14.544 16.435 1.00 0.00 C ATOM 854 NE ARG A 54 30.433 13.733 17.648 1.00 0.00 N ATOM 855 CZ ARG A 54 29.323 13.677 18.377 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.285 12.942 19.456 1.00 0.00 N ATOM 857 NH2 ARG A 54 28.271 14.359 18.016 1.00 0.00 N ATOM 0 H ARG A 54 34.166 17.461 16.106 1.00 0.00 H new ATOM 0 HA ARG A 54 33.918 15.079 14.352 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.928 16.858 15.798 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.422 16.009 14.350 1.00 0.00 H new ATOM 0 HG2 ARG A 54 32.263 13.838 15.393 1.00 0.00 H new ATOM 0 HG3 ARG A 54 32.616 14.723 16.864 1.00 0.00 H new ATOM 0 HD2 ARG A 54 30.063 15.525 16.618 1.00 0.00 H new ATOM 0 HD3 ARG A 54 29.920 14.076 15.641 1.00 0.00 H new ATOM 0 HE ARG A 54 31.252 13.200 17.941 1.00 0.00 H new ATOM 0 HH11 ARG A 54 30.108 12.410 19.740 1.00 0.00 H new ATOM 0 HH12 ARG A 54 28.433 12.900 20.015 1.00 0.00 H new ATOM 0 HH21 ARG A 54 28.301 14.935 17.175 1.00 0.00 H new ATOM 0 HH22 ARG A 54 27.419 14.316 18.575 1.00 0.00 H new ATOM 871 N THR A 55 32.869 16.483 12.341 1.00 0.00 N ATOM 872 CA THR A 55 32.769 17.195 11.061 1.00 0.00 C ATOM 873 C THR A 55 31.380 17.802 10.901 1.00 0.00 C ATOM 874 O THR A 55 30.389 17.280 11.435 1.00 0.00 O ATOM 875 CB THR A 55 33.037 16.233 9.900 1.00 0.00 C ATOM 876 OG1 THR A 55 32.066 15.196 9.914 1.00 0.00 O ATOM 877 CG2 THR A 55 34.437 15.629 10.043 1.00 0.00 C ATOM 0 H THR A 55 32.340 15.612 12.375 1.00 0.00 H new ATOM 0 HA THR A 55 33.513 17.991 11.051 1.00 0.00 H new ATOM 0 HB THR A 55 32.976 16.776 8.957 1.00 0.00 H new ATOM 0 HG1 THR A 55 32.235 14.580 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.624 14.945 9.215 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.180 16.426 10.030 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.504 15.085 10.985 1.00 0.00 H new ATOM 885 N LEU A 56 31.291 18.889 10.145 1.00 0.00 N ATOM 886 CA LEU A 56 30.004 19.510 9.921 1.00 0.00 C ATOM 887 C LEU A 56 29.058 18.494 9.293 1.00 0.00 C ATOM 888 O LEU A 56 27.867 18.495 9.585 1.00 0.00 O ATOM 889 CB LEU A 56 30.152 20.734 9.015 1.00 0.00 C ATOM 890 CG LEU A 56 30.734 21.913 9.812 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.204 21.641 10.160 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.640 23.179 8.963 1.00 0.00 C ATOM 0 H LEU A 56 32.080 19.347 9.688 1.00 0.00 H new ATOM 0 HA LEU A 56 29.594 19.842 10.874 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.803 20.497 8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.182 21.009 8.600 1.00 0.00 H new ATOM 0 HG LEU A 56 30.170 22.038 10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.606 22.482 10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.274 20.734 10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.778 21.513 9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.050 24.022 9.520 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.206 23.042 8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.596 23.378 8.721 1.00 0.00 H new ATOM 904 N SER A 57 29.584 17.638 8.410 1.00 0.00 N ATOM 905 CA SER A 57 28.758 16.638 7.736 1.00 0.00 C ATOM 906 C SER A 57 27.843 15.915 8.719 1.00 0.00 C ATOM 907 O SER A 57 26.665 15.671 8.426 1.00 0.00 O ATOM 908 CB SER A 57 29.654 15.617 7.034 1.00 0.00 C ATOM 909 OG SER A 57 28.843 14.653 6.377 1.00 0.00 O ATOM 0 H SER A 57 30.570 17.619 8.149 1.00 0.00 H new ATOM 0 HA SER A 57 28.135 17.155 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.300 16.118 6.313 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.305 15.128 7.759 1.00 0.00 H new ATOM 0 HG SER A 57 29.415 13.998 5.925 1.00 0.00 H new ATOM 915 N ASP A 58 28.371 15.599 9.898 1.00 0.00 N ATOM 916 CA ASP A 58 27.567 14.933 10.908 1.00 0.00 C ATOM 917 C ASP A 58 26.424 15.857 11.288 1.00 0.00 C ATOM 918 O ASP A 58 25.294 15.423 11.532 1.00 0.00 O ATOM 919 CB ASP A 58 28.420 14.609 12.141 1.00 0.00 C ATOM 920 CG ASP A 58 27.597 13.825 13.157 1.00 0.00 C ATOM 921 OD1 ASP A 58 27.259 12.688 12.870 1.00 0.00 O ATOM 922 OD2 ASP A 58 27.316 14.372 14.211 1.00 0.00 O ATOM 0 H ASP A 58 29.335 15.791 10.171 1.00 0.00 H new ATOM 0 HA ASP A 58 27.176 13.995 10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 58 29.295 14.030 11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 58 28.786 15.531 12.592 1.00 0.00 H new ATOM 927 N TYR A 59 26.742 17.147 11.320 1.00 0.00 N ATOM 928 CA TYR A 59 25.758 18.170 11.657 1.00 0.00 C ATOM 929 C TYR A 59 24.954 18.603 10.420 1.00 0.00 C ATOM 930 O TYR A 59 24.019 19.393 10.534 1.00 0.00 O ATOM 931 CB TYR A 59 26.477 19.380 12.254 1.00 0.00 C ATOM 932 CG TYR A 59 27.007 19.033 13.628 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.324 18.580 13.776 1.00 0.00 C ATOM 934 CD2 TYR A 59 26.183 19.166 14.754 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.817 18.259 15.047 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.677 18.846 16.025 1.00 0.00 C ATOM 937 CZ TYR A 59 27.994 18.392 16.172 1.00 0.00 C ATOM 938 OH TYR A 59 28.478 18.074 17.424 1.00 0.00 O ATOM 0 H TYR A 59 27.674 17.509 11.117 1.00 0.00 H new ATOM 0 HA TYR A 59 25.059 17.752 12.382 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.297 19.685 11.604 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.792 20.225 12.321 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.960 18.478 12.909 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.167 19.515 14.642 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.832 17.909 15.159 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.042 18.949 16.892 1.00 0.00 H new ATOM 0 HH TYR A 59 27.778 18.224 18.093 1.00 0.00 H new ATOM 948 N ASN A 60 25.315 18.083 9.242 1.00 0.00 N ATOM 949 CA ASN A 60 24.601 18.438 8.013 1.00 0.00 C ATOM 950 C ASN A 60 23.321 17.624 7.891 1.00 0.00 C ATOM 951 O ASN A 60 22.294 18.126 7.441 1.00 0.00 O ATOM 952 CB ASN A 60 25.477 18.193 6.782 1.00 0.00 C ATOM 953 CG ASN A 60 24.734 18.632 5.523 1.00 0.00 C ATOM 954 OD1 ASN A 60 24.049 17.826 4.891 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.825 19.871 5.118 1.00 0.00 N ATOM 0 H ASN A 60 26.084 17.426 9.115 1.00 0.00 H new ATOM 0 HA ASN A 60 24.354 19.498 8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.412 18.745 6.874 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.736 17.136 6.713 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.329 20.171 4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.392 20.538 5.641 1.00 0.00 H new ATOM 962 N ILE A 61 23.379 16.363 8.304 1.00 0.00 N ATOM 963 CA ILE A 61 22.193 15.510 8.240 1.00 0.00 C ATOM 964 C ILE A 61 21.112 16.083 9.152 1.00 0.00 C ATOM 965 O ILE A 61 19.979 16.320 8.725 1.00 0.00 O ATOM 966 CB ILE A 61 22.547 14.084 8.679 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.533 13.481 7.679 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.279 13.232 8.732 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.117 12.187 8.251 1.00 0.00 C ATOM 0 H ILE A 61 24.214 15.914 8.679 1.00 0.00 H new ATOM 0 HA ILE A 61 21.824 15.478 7.215 1.00 0.00 H new ATOM 0 HB ILE A 61 23.001 14.108 9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.030 13.278 6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.333 14.191 7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.534 12.219 9.044 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.578 13.666 9.445 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.819 13.202 7.744 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.820 11.758 7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.635 12.404 9.185 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.312 11.477 8.439 1.00 0.00 H new ATOM 981 N GLN A 62 21.482 16.297 10.409 1.00 0.00 N ATOM 982 CA GLN A 62 20.559 16.844 11.395 1.00 0.00 C ATOM 983 C GLN A 62 20.268 18.315 11.082 1.00 0.00 C ATOM 984 O GLN A 62 20.264 19.158 11.978 1.00 0.00 O ATOM 985 CB GLN A 62 21.182 16.734 12.790 1.00 0.00 C ATOM 986 CG GLN A 62 21.470 15.266 13.118 1.00 0.00 C ATOM 987 CD GLN A 62 22.209 15.165 14.451 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.262 16.137 15.205 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.785 14.043 14.788 1.00 0.00 N ATOM 0 H GLN A 62 22.416 16.100 10.769 1.00 0.00 H new ATOM 0 HA GLN A 62 19.626 16.281 11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 62 22.105 17.313 12.832 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.506 17.156 13.534 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.536 14.706 13.167 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.069 14.818 12.325 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.740 13.239 14.162 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.280 13.971 15.677 1.00 0.00 H new ATOM 998 N LYS A 63 20.010 18.610 9.807 1.00 0.00 N ATOM 999 CA LYS A 63 19.706 19.981 9.383 1.00 0.00 C ATOM 1000 C LYS A 63 18.271 20.384 9.762 1.00 0.00 C ATOM 1001 O LYS A 63 17.467 20.730 8.894 1.00 0.00 O ATOM 1002 CB LYS A 63 19.909 20.136 7.867 1.00 0.00 C ATOM 1003 CG LYS A 63 19.045 19.120 7.103 1.00 0.00 C ATOM 1004 CD LYS A 63 19.598 18.924 5.689 1.00 0.00 C ATOM 1005 CE LYS A 63 19.513 20.241 4.915 1.00 0.00 C ATOM 1006 NZ LYS A 63 20.639 21.127 5.323 1.00 0.00 N ATOM 0 H LYS A 63 20.005 17.924 9.052 1.00 0.00 H new ATOM 0 HA LYS A 63 20.395 20.644 9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.647 21.149 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.960 19.989 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.033 18.168 7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.014 19.470 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.633 18.585 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.032 18.149 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.556 20.049 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.560 20.731 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.049 21.578 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.287 21.860 5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.369 20.562 5.803 1.00 0.00 H new ATOM 1020 N GLU A 64 17.963 20.351 11.053 1.00 0.00 N ATOM 1021 CA GLU A 64 16.624 20.719 11.516 1.00 0.00 C ATOM 1022 C GLU A 64 16.262 22.111 11.001 1.00 0.00 C ATOM 1023 O GLU A 64 15.117 22.370 10.631 1.00 0.00 O ATOM 1024 CB GLU A 64 16.587 20.721 13.049 1.00 0.00 C ATOM 1025 CG GLU A 64 16.950 19.331 13.581 1.00 0.00 C ATOM 1026 CD GLU A 64 16.732 19.275 15.091 1.00 0.00 C ATOM 1027 OE1 GLU A 64 15.602 19.454 15.513 1.00 0.00 O ATOM 1028 OE2 GLU A 64 17.699 19.055 15.802 1.00 0.00 O ATOM 0 H GLU A 64 18.610 20.077 11.792 1.00 0.00 H new ATOM 0 HA GLU A 64 15.906 19.993 11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.285 21.462 13.437 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.594 21.005 13.397 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.340 18.574 13.089 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.990 19.103 13.347 1.00 0.00 H new HETATM 1035 N SEP A 65 17.251 22.999 10.976 1.00 0.00 N HETATM 1036 CA SEP A 65 17.058 24.369 10.492 1.00 0.00 C HETATM 1037 CB SEP A 65 17.159 25.360 11.649 1.00 0.00 C HETATM 1038 OG SEP A 65 16.350 24.907 12.726 1.00 0.00 O HETATM 1039 C SEP A 65 18.116 24.686 9.447 1.00 0.00 C HETATM 1040 O SEP A 65 18.561 23.801 8.714 1.00 0.00 O HETATM 1041 P SEP A 65 14.842 25.214 12.740 1.00 0.00 P HETATM 1042 O1P SEP A 65 14.661 26.342 13.812 1.00 0.00 O HETATM 1043 O2P SEP A 65 14.150 23.865 13.134 1.00 0.00 O HETATM 1044 O3P SEP A 65 14.502 25.686 11.286 1.00 0.00 O HETATM 0 HB3 SEP A 65 18.196 25.455 11.972 1.00 0.00 H new HETATM 0 HB2 SEP A 65 16.834 26.349 11.326 1.00 0.00 H new HETATM 0 HA SEP A 65 16.066 24.455 10.047 1.00 0.00 H new ATOM 1049 N THR A 66 18.540 25.948 9.386 1.00 0.00 N ATOM 1050 CA THR A 66 19.576 26.359 8.439 1.00 0.00 C ATOM 1051 C THR A 66 20.928 26.296 9.131 1.00 0.00 C ATOM 1052 O THR A 66 20.996 25.971 10.318 1.00 0.00 O ATOM 1053 CB THR A 66 19.301 27.790 7.946 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.710 28.546 8.994 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.348 27.736 6.755 1.00 0.00 C ATOM 0 H THR A 66 18.185 26.699 9.977 1.00 0.00 H new ATOM 0 HA THR A 66 19.573 25.690 7.578 1.00 0.00 H new ATOM 0 HB THR A 66 20.237 28.261 7.644 1.00 0.00 H new ATOM 0 HG1 THR A 66 17.746 28.374 9.018 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.150 28.748 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.801 27.154 5.953 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.412 27.268 7.059 1.00 0.00 H new ATOM 1063 N LEU A 67 22.010 26.585 8.404 1.00 0.00 N ATOM 1064 CA LEU A 67 23.344 26.520 8.979 1.00 0.00 C ATOM 1065 C LEU A 67 23.642 27.774 9.798 1.00 0.00 C ATOM 1066 O LEU A 67 24.733 28.343 9.724 1.00 0.00 O ATOM 1067 CB LEU A 67 24.374 26.391 7.842 1.00 0.00 C ATOM 1068 CG LEU A 67 23.912 25.331 6.832 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.907 25.246 5.668 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.825 23.963 7.519 1.00 0.00 C ATOM 0 H LEU A 67 21.983 26.864 7.423 1.00 0.00 H new ATOM 0 HA LEU A 67 23.403 25.655 9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.498 27.352 7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.346 26.116 8.251 1.00 0.00 H new ATOM 0 HG LEU A 67 22.931 25.614 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.571 24.492 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.967 26.213 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.891 24.972 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.497 23.214 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.806 23.688 7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.111 24.013 8.341 1.00 0.00 H new ATOM 1082 N HIS A 68 22.657 28.177 10.585 1.00 0.00 N ATOM 1083 CA HIS A 68 22.798 29.348 11.439 1.00 0.00 C ATOM 1084 C HIS A 68 23.556 28.956 12.694 1.00 0.00 C ATOM 1085 O HIS A 68 23.136 28.066 13.435 1.00 0.00 O ATOM 1086 CB HIS A 68 21.421 29.885 11.827 1.00 0.00 C ATOM 1087 CG HIS A 68 21.573 31.189 12.559 1.00 0.00 C ATOM 1088 ND1 HIS A 68 22.033 32.335 11.933 1.00 0.00 N ATOM 1089 CD2 HIS A 68 21.331 31.547 13.864 1.00 0.00 C ATOM 1090 CE1 HIS A 68 22.054 33.319 12.850 1.00 0.00 C ATOM 1091 NE2 HIS A 68 21.637 32.892 14.045 1.00 0.00 N ATOM 0 H HIS A 68 21.752 27.712 10.651 1.00 0.00 H new ATOM 0 HA HIS A 68 23.342 30.124 10.900 1.00 0.00 H new ATOM 0 HB2 HIS A 68 20.811 30.027 10.935 1.00 0.00 H new ATOM 0 HB3 HIS A 68 20.902 29.162 12.456 1.00 0.00 H new ATOM 0 HD1 HIS A 68 22.306 32.418 10.954 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.960 30.885 14.632 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.370 34.331 12.645 1.00 0.00 H new ATOM 1100 N LEU A 69 24.689 29.610 12.917 1.00 0.00 N ATOM 1101 CA LEU A 69 25.532 29.325 14.066 1.00 0.00 C ATOM 1102 C LEU A 69 25.457 30.463 15.074 1.00 0.00 C ATOM 1103 O LEU A 69 25.640 31.627 14.719 1.00 0.00 O ATOM 1104 CB LEU A 69 26.984 29.138 13.576 1.00 0.00 C ATOM 1105 CG LEU A 69 27.733 28.141 14.475 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.638 28.589 15.943 1.00 0.00 C ATOM 1107 CD2 LEU A 69 27.127 26.723 14.317 1.00 0.00 C ATOM 0 H LEU A 69 25.046 30.348 12.310 1.00 0.00 H new ATOM 0 HA LEU A 69 25.188 28.416 14.559 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.983 28.779 12.547 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.501 30.098 13.578 1.00 0.00 H new ATOM 0 HG LEU A 69 28.781 28.113 14.176 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.171 27.879 16.575 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.085 29.577 16.051 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.591 28.629 16.244 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.665 26.024 14.958 1.00 0.00 H new ATOM 0 HD22 LEU A 69 26.075 26.743 14.603 1.00 0.00 H new ATOM 0 HD23 LEU A 69 27.214 26.404 13.278 1.00 0.00 H new ATOM 1119 N VAL A 70 25.224 30.117 16.338 1.00 0.00 N ATOM 1120 CA VAL A 70 25.162 31.119 17.397 1.00 0.00 C ATOM 1121 C VAL A 70 26.444 31.080 18.218 1.00 0.00 C ATOM 1122 O VAL A 70 26.838 30.031 18.728 1.00 0.00 O ATOM 1123 CB VAL A 70 23.952 30.854 18.294 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.008 31.759 19.528 1.00 0.00 C ATOM 1125 CG2 VAL A 70 22.677 31.156 17.507 1.00 0.00 C ATOM 0 H VAL A 70 25.076 29.158 16.652 1.00 0.00 H new ATOM 0 HA VAL A 70 25.058 32.108 16.950 1.00 0.00 H new ATOM 0 HB VAL A 70 23.959 29.812 18.614 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.143 31.564 20.162 1.00 0.00 H new ATOM 0 HG12 VAL A 70 24.921 31.555 20.088 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.000 32.803 19.214 1.00 0.00 H new ATOM 0 HG21 VAL A 70 21.808 30.970 18.138 1.00 0.00 H new ATOM 0 HG22 VAL A 70 22.682 32.200 17.194 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.631 30.513 16.628 1.00 0.00 H new ATOM 1135 N LEU A 71 27.094 32.235 18.338 1.00 0.00 N ATOM 1136 CA LEU A 71 28.339 32.328 19.100 1.00 0.00 C ATOM 1137 C LEU A 71 28.055 32.741 20.540 1.00 0.00 C ATOM 1138 O LEU A 71 27.574 33.845 20.801 1.00 0.00 O ATOM 1139 CB LEU A 71 29.280 33.344 18.444 1.00 0.00 C ATOM 1140 CG LEU A 71 30.717 33.125 18.954 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.367 31.919 18.245 1.00 0.00 C ATOM 1142 CD2 LEU A 71 31.549 34.385 18.685 1.00 0.00 C ATOM 0 H LEU A 71 26.784 33.113 17.922 1.00 0.00 H new ATOM 0 HA LEU A 71 28.816 31.348 19.105 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.248 33.236 17.360 1.00 0.00 H new ATOM 0 HB3 LEU A 71 28.953 34.358 18.673 1.00 0.00 H new ATOM 0 HG LEU A 71 30.683 32.923 20.025 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.382 31.781 18.619 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.782 31.021 18.444 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.398 32.102 17.171 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.567 34.233 19.045 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.569 34.586 17.614 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.103 35.233 19.205 1.00 0.00 H new ATOM 1154 N ARG A 72 28.377 31.847 21.470 1.00 0.00 N ATOM 1155 CA ARG A 72 28.184 32.105 22.897 1.00 0.00 C ATOM 1156 C ARG A 72 29.528 32.435 23.549 1.00 0.00 C ATOM 1157 O ARG A 72 30.559 31.873 23.175 1.00 0.00 O ATOM 1158 CB ARG A 72 27.562 30.848 23.560 1.00 0.00 C ATOM 1159 CG ARG A 72 26.274 31.210 24.316 1.00 0.00 C ATOM 1160 CD ARG A 72 25.881 30.059 25.244 1.00 0.00 C ATOM 1161 NE ARG A 72 26.888 29.879 26.283 1.00 0.00 N ATOM 1162 CZ ARG A 72 26.933 30.682 27.341 1.00 0.00 C ATOM 1163 NH1 ARG A 72 27.840 30.497 28.261 1.00 0.00 N ATOM 1164 NH2 ARG A 72 26.071 31.654 27.459 1.00 0.00 N ATOM 0 H ARG A 72 28.775 30.932 21.261 1.00 0.00 H new ATOM 0 HA ARG A 72 27.513 32.954 23.031 1.00 0.00 H new ATOM 0 HB2 ARG A 72 27.344 30.100 22.798 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.280 30.402 24.248 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.424 32.121 24.895 1.00 0.00 H new ATOM 0 HG3 ARG A 72 25.470 31.411 23.608 1.00 0.00 H new ATOM 0 HD2 ARG A 72 24.912 30.265 25.699 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.774 29.139 24.669 1.00 0.00 H new ATOM 0 HE ARG A 72 27.569 29.125 26.196 1.00 0.00 H new ATOM 0 HH11 ARG A 72 28.513 29.737 28.168 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.875 31.113 29.073 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.363 31.798 26.739 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.105 32.270 28.271 1.00 0.00 H new ATOM 1178 N LEU A 73 29.512 33.335 24.526 1.00 0.00 N ATOM 1179 CA LEU A 73 30.742 33.716 25.229 1.00 0.00 C ATOM 1180 C LEU A 73 30.823 33.009 26.579 1.00 0.00 C ATOM 1181 O LEU A 73 29.826 32.905 27.296 1.00 0.00 O ATOM 1182 CB LEU A 73 30.779 35.235 25.444 1.00 0.00 C ATOM 1183 CG LEU A 73 29.413 35.731 25.981 1.00 0.00 C ATOM 1184 CD1 LEU A 73 29.619 36.916 26.934 1.00 0.00 C ATOM 1185 CD2 LEU A 73 28.522 36.176 24.808 1.00 0.00 C ATOM 0 H LEU A 73 28.672 33.813 24.851 1.00 0.00 H new ATOM 0 HA LEU A 73 31.594 33.417 24.618 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.570 35.491 26.149 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.013 35.737 24.505 1.00 0.00 H new ATOM 0 HG LEU A 73 28.932 34.914 26.519 1.00 0.00 H new ATOM 0 HD11 LEU A 73 28.652 37.257 27.305 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.241 36.604 27.773 1.00 0.00 H new ATOM 0 HD13 LEU A 73 30.110 37.730 26.401 1.00 0.00 H new ATOM 0 HD21 LEU A 73 27.563 36.524 25.191 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.011 36.985 24.266 1.00 0.00 H new ATOM 0 HD23 LEU A 73 28.360 35.334 24.134 1.00 0.00 H new ATOM 1197 N ARG A 74 32.013 32.523 26.921 1.00 0.00 N ATOM 1198 CA ARG A 74 32.210 31.828 28.189 1.00 0.00 C ATOM 1199 C ARG A 74 32.156 32.812 29.354 1.00 0.00 C ATOM 1200 O ARG A 74 31.546 32.534 30.386 1.00 0.00 O ATOM 1201 CB ARG A 74 33.568 31.114 28.187 1.00 0.00 C ATOM 1202 CG ARG A 74 33.747 30.341 29.497 1.00 0.00 C ATOM 1203 CD ARG A 74 35.048 29.539 29.444 1.00 0.00 C ATOM 1204 NE ARG A 74 36.193 30.440 29.363 1.00 0.00 N ATOM 1205 CZ ARG A 74 37.431 29.970 29.242 1.00 0.00 C ATOM 1206 NH1 ARG A 74 38.438 30.796 29.161 1.00 0.00 N ATOM 1207 NH2 ARG A 74 37.640 28.682 29.206 1.00 0.00 N ATOM 0 H ARG A 74 32.850 32.597 26.342 1.00 0.00 H new ATOM 0 HA ARG A 74 31.412 31.096 28.308 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.629 30.431 27.339 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.372 31.841 28.070 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.768 31.032 30.339 1.00 0.00 H new ATOM 0 HG3 ARG A 74 32.901 29.672 29.655 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.133 28.911 30.331 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.038 28.873 28.581 1.00 0.00 H new ATOM 0 HE ARG A 74 36.041 31.448 29.400 1.00 0.00 H new ATOM 0 HH11 ARG A 74 38.276 31.803 29.191 1.00 0.00 H new ATOM 0 HH12 ARG A 74 39.387 30.435 29.068 1.00 0.00 H new ATOM 0 HH21 ARG A 74 36.854 28.036 29.271 1.00 0.00 H new ATOM 0 HH22 ARG A 74 38.590 28.322 29.113 1.00 0.00 H new ATOM 1221 N GLY A 75 32.803 33.959 29.182 1.00 0.00 N ATOM 1222 CA GLY A 75 32.828 34.976 30.228 1.00 0.00 C ATOM 1223 C GLY A 75 31.435 35.536 30.482 1.00 0.00 C ATOM 1224 O GLY A 75 30.435 34.945 30.072 1.00 0.00 O ATOM 0 H GLY A 75 33.314 34.208 28.335 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.224 34.546 31.148 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.501 35.783 29.938 1.00 0.00 H new ATOM 1228 N GLY A 76 31.376 36.676 31.161 1.00 0.00 N ATOM 1229 CA GLY A 76 30.096 37.308 31.467 1.00 0.00 C ATOM 1230 C GLY A 76 29.481 36.705 32.725 1.00 0.00 C ATOM 1231 O GLY A 76 29.295 35.499 32.750 1.00 0.00 O ATOM 1232 OXT GLY A 76 29.206 37.456 33.645 1.00 0.00 O ATOM 0 H GLY A 76 32.192 37.179 31.508 1.00 0.00 H new ATOM 0 HA2 GLY A 76 30.238 38.380 31.604 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.413 37.182 30.627 1.00 0.00 H new TER 1236 GLY A 76