USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1052 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.084) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= 1.28 (180deg=1.17) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -113:sc= 0.0867 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.027) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.911 K(o=0.91,f=-0.74) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 172:sc= 0 (180deg=-0.0706) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.18) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.479 USER MOD Single : B -3 GLY N :NH3+ -130:sc= 0.0481 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0.00164 USER MOD Single : B 41 HIS : no HD1:sc=-0.00398 X(o=-0.004,f=0) USER MOD Single : B 55 SER OG : rot 120:sc= 1.19 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= 0.716 K(o=0.72,f=0) USER MOD Single : B 65 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 1.382 -3.222 -1.244 1.00 0.00 N ATOM 2 CA GLY A -3 2.219 -2.421 -2.165 1.00 0.00 C ATOM 3 C GLY A -3 2.954 -1.291 -1.445 1.00 0.00 C ATOM 4 O GLY A -3 2.700 -1.044 -0.261 1.00 0.00 O ATOM 0 H1 GLY A -3 1.773 -4.183 -1.167 1.00 0.00 H new ATOM 0 H2 GLY A -3 1.374 -2.775 -0.305 1.00 0.00 H new ATOM 0 H3 GLY A -3 0.411 -3.272 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A -3 2.945 -3.072 -2.652 1.00 0.00 H new ATOM 0 HA3 GLY A -3 1.591 -2.001 -2.951 1.00 0.00 H new ATOM 10 N PRO A -2 3.872 -0.588 -2.140 1.00 0.00 N ATOM 11 CA PRO A -2 4.623 0.544 -1.593 1.00 0.00 C ATOM 12 C PRO A -2 3.735 1.770 -1.310 1.00 0.00 C ATOM 13 O PRO A -2 2.676 1.960 -1.925 1.00 0.00 O ATOM 14 CB PRO A -2 5.698 0.861 -2.641 1.00 0.00 C ATOM 15 CG PRO A -2 5.053 0.410 -3.952 1.00 0.00 C ATOM 16 CD PRO A -2 4.252 -0.823 -3.530 1.00 0.00 C ATOM 0 HA PRO A -2 5.054 0.289 -0.625 1.00 0.00 H new ATOM 0 HB2 PRO A -2 5.943 1.923 -2.658 1.00 0.00 H new ATOM 0 HB3 PRO A -2 6.625 0.323 -2.442 1.00 0.00 H new ATOM 0 HG2 PRO A -2 4.412 1.184 -4.374 1.00 0.00 H new ATOM 0 HG3 PRO A -2 5.800 0.168 -4.708 1.00 0.00 H new ATOM 0 HD2 PRO A -2 3.372 -0.953 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A -2 4.849 -1.730 -3.625 1.00 0.00 H new ATOM 24 N GLY A -1 4.181 2.630 -0.384 1.00 0.00 N ATOM 25 CA GLY A -1 3.506 3.887 -0.041 1.00 0.00 C ATOM 26 C GLY A -1 3.599 4.957 -1.143 1.00 0.00 C ATOM 27 O GLY A -1 4.567 5.000 -1.910 1.00 0.00 O ATOM 0 H GLY A -1 5.032 2.469 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A -1 2.456 3.681 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A -1 3.940 4.284 0.877 1.00 0.00 H new ATOM 31 N SER A 0 2.592 5.833 -1.213 1.00 0.00 N ATOM 32 CA SER A 0 2.542 6.994 -2.118 1.00 0.00 C ATOM 33 C SER A 0 3.479 8.130 -1.665 1.00 0.00 C ATOM 34 O SER A 0 3.847 8.237 -0.491 1.00 0.00 O ATOM 35 CB SER A 0 1.098 7.501 -2.253 1.00 0.00 C ATOM 36 OG SER A 0 0.534 7.849 -0.996 1.00 0.00 O ATOM 0 H SER A 0 1.762 5.755 -0.625 1.00 0.00 H new ATOM 0 HA SER A 0 2.896 6.662 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 0 1.079 8.370 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 0 0.486 6.731 -2.724 1.00 0.00 H new ATOM 0 HG SER A 0 -0.383 8.168 -1.126 1.00 0.00 H new ATOM 42 N MET A 1 3.879 8.994 -2.610 1.00 0.00 N ATOM 43 CA MET A 1 4.729 10.162 -2.338 1.00 0.00 C ATOM 44 C MET A 1 3.987 11.275 -1.586 1.00 0.00 C ATOM 45 O MET A 1 2.778 11.474 -1.760 1.00 0.00 O ATOM 46 CB MET A 1 5.312 10.726 -3.645 1.00 0.00 C ATOM 47 CG MET A 1 6.283 9.751 -4.324 1.00 0.00 C ATOM 48 SD MET A 1 7.108 10.404 -5.808 1.00 0.00 S ATOM 49 CE MET A 1 8.223 11.639 -5.075 1.00 0.00 C ATOM 0 H MET A 1 3.619 8.901 -3.592 1.00 0.00 H new ATOM 0 HA MET A 1 5.536 9.811 -1.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.498 10.960 -4.331 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.830 11.662 -3.434 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.045 9.457 -3.602 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.737 8.848 -4.597 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.895 12.023 -5.842 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.636 12.460 -4.663 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.807 11.176 -4.280 1.00 0.00 H new ATOM 59 N CYS A 2 4.738 12.040 -0.791 1.00 0.00 N ATOM 60 CA CYS A 2 4.280 13.209 -0.038 1.00 0.00 C ATOM 61 C CYS A 2 5.351 14.317 -0.042 1.00 0.00 C ATOM 62 O CYS A 2 6.554 14.049 -0.117 1.00 0.00 O ATOM 63 CB CYS A 2 3.902 12.787 1.388 1.00 0.00 C ATOM 64 SG CYS A 2 2.293 11.971 1.566 1.00 0.00 S ATOM 0 H CYS A 2 5.730 11.852 -0.648 1.00 0.00 H new ATOM 0 HA CYS A 2 3.393 13.622 -0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 2 4.673 12.115 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 2 3.912 13.672 2.024 1.00 0.00 H new ATOM 69 N MET A 3 4.912 15.577 0.035 1.00 0.00 N ATOM 70 CA MET A 3 5.745 16.782 -0.063 1.00 0.00 C ATOM 71 C MET A 3 5.085 17.971 0.650 1.00 0.00 C ATOM 72 O MET A 3 3.921 17.896 1.066 1.00 0.00 O ATOM 73 CB MET A 3 6.031 17.088 -1.551 1.00 0.00 C ATOM 74 CG MET A 3 4.796 17.379 -2.421 1.00 0.00 C ATOM 75 SD MET A 3 4.059 19.027 -2.233 1.00 0.00 S ATOM 76 CE MET A 3 2.669 18.875 -3.393 1.00 0.00 C ATOM 0 H MET A 3 3.925 15.796 0.173 1.00 0.00 H new ATOM 0 HA MET A 3 6.695 16.605 0.442 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.701 17.946 -1.604 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.564 16.240 -1.981 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.073 17.244 -3.467 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.033 16.634 -2.195 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.102 19.806 -3.405 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.051 18.669 -4.393 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.020 18.058 -3.078 1.00 0.00 H new ATOM 86 N ALA A 4 5.829 19.067 0.784 1.00 0.00 N ATOM 87 CA ALA A 4 5.349 20.345 1.320 1.00 0.00 C ATOM 88 C ALA A 4 5.806 21.548 0.469 1.00 0.00 C ATOM 89 O ALA A 4 6.394 21.386 -0.602 1.00 0.00 O ATOM 90 CB ALA A 4 5.810 20.448 2.785 1.00 0.00 C ATOM 0 H ALA A 4 6.813 19.094 0.515 1.00 0.00 H new ATOM 0 HA ALA A 4 4.260 20.374 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.466 21.391 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.393 19.619 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.898 20.407 2.828 1.00 0.00 H new ATOM 96 N LYS A 5 5.580 22.760 0.993 1.00 0.00 N ATOM 97 CA LYS A 5 6.244 24.008 0.578 1.00 0.00 C ATOM 98 C LYS A 5 6.948 24.678 1.769 1.00 0.00 C ATOM 99 O LYS A 5 6.358 24.816 2.841 1.00 0.00 O ATOM 100 CB LYS A 5 5.262 24.927 -0.171 1.00 0.00 C ATOM 101 CG LYS A 5 4.102 25.454 0.692 1.00 0.00 C ATOM 102 CD LYS A 5 3.074 26.189 -0.177 1.00 0.00 C ATOM 103 CE LYS A 5 1.915 26.765 0.647 1.00 0.00 C ATOM 104 NZ LYS A 5 2.356 27.898 1.511 1.00 0.00 N1+ ATOM 0 H LYS A 5 4.906 22.906 1.745 1.00 0.00 H new ATOM 0 HA LYS A 5 7.034 23.775 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.814 25.776 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.849 24.382 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.621 24.624 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.488 26.128 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.569 26.997 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.678 25.502 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.127 27.106 -0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.486 25.979 1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.535 28.488 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.785 27.524 2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.055 28.473 0.999 1.00 0.00 H new ATOM 118 N VAL A 6 8.205 25.087 1.579 1.00 0.00 N ATOM 119 CA VAL A 6 8.977 25.929 2.519 1.00 0.00 C ATOM 120 C VAL A 6 8.588 27.399 2.340 1.00 0.00 C ATOM 121 O VAL A 6 8.401 27.846 1.210 1.00 0.00 O ATOM 122 CB VAL A 6 10.496 25.712 2.326 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.384 26.898 2.743 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.958 24.508 3.157 1.00 0.00 C ATOM 0 H VAL A 6 8.736 24.838 0.745 1.00 0.00 H new ATOM 0 HA VAL A 6 8.737 25.637 3.541 1.00 0.00 H new ATOM 0 HB VAL A 6 10.615 25.568 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.431 26.648 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.118 27.776 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.233 27.111 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.029 24.359 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.751 24.693 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.422 23.615 2.833 1.00 0.00 H new ATOM 134 N VAL A 7 8.546 28.169 3.430 1.00 0.00 N ATOM 135 CA VAL A 7 8.417 29.637 3.397 1.00 0.00 C ATOM 136 C VAL A 7 9.357 30.318 4.407 1.00 0.00 C ATOM 137 O VAL A 7 9.563 29.828 5.523 1.00 0.00 O ATOM 138 CB VAL A 7 6.940 30.070 3.521 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.323 29.745 4.883 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.749 31.565 3.247 1.00 0.00 C ATOM 0 H VAL A 7 8.601 27.790 4.375 1.00 0.00 H new ATOM 0 HA VAL A 7 8.749 29.988 2.420 1.00 0.00 H new ATOM 0 HB VAL A 7 6.423 29.487 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.285 30.076 4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.364 28.669 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.881 30.258 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.694 31.821 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.332 32.144 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.085 31.795 2.236 1.00 0.00 H new ATOM 150 N LEU A 8 9.941 31.447 3.994 1.00 0.00 N ATOM 151 CA LEU A 8 10.904 32.271 4.744 1.00 0.00 C ATOM 152 C LEU A 8 10.844 33.736 4.278 1.00 0.00 C ATOM 153 O LEU A 8 10.216 34.042 3.262 1.00 0.00 O ATOM 154 CB LEU A 8 12.315 31.672 4.575 1.00 0.00 C ATOM 155 CG LEU A 8 12.880 31.749 3.132 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.981 32.806 3.006 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.478 30.416 2.695 1.00 0.00 C ATOM 0 H LEU A 8 9.745 31.837 3.072 1.00 0.00 H new ATOM 0 HA LEU A 8 10.649 32.266 5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.999 32.191 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.292 30.628 4.887 1.00 0.00 H new ATOM 0 HG LEU A 8 12.035 32.013 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.349 32.827 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.578 33.784 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.801 32.560 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.864 30.506 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.290 30.143 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.708 29.645 2.723 1.00 0.00 H new ATOM 169 N THR A 9 11.516 34.653 4.982 1.00 0.00 N ATOM 170 CA THR A 9 11.568 36.084 4.624 1.00 0.00 C ATOM 171 C THR A 9 12.996 36.638 4.692 1.00 0.00 C ATOM 172 O THR A 9 13.720 36.388 5.661 1.00 0.00 O ATOM 173 CB THR A 9 10.608 36.927 5.491 1.00 0.00 C ATOM 174 OG1 THR A 9 9.324 36.340 5.587 1.00 0.00 O ATOM 175 CG2 THR A 9 10.358 38.325 4.918 1.00 0.00 C ATOM 0 H THR A 9 12.045 34.426 5.824 1.00 0.00 H new ATOM 0 HA THR A 9 11.233 36.160 3.589 1.00 0.00 H new ATOM 0 HB THR A 9 11.108 36.980 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.748 36.903 6.145 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.676 38.869 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.303 38.864 4.850 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.917 38.238 3.925 1.00 0.00 H new ATOM 183 N LYS A 10 13.411 37.387 3.660 1.00 0.00 N ATOM 184 CA LYS A 10 14.730 38.033 3.521 1.00 0.00 C ATOM 185 C LYS A 10 14.912 39.213 4.486 1.00 0.00 C ATOM 186 O LYS A 10 13.941 39.780 4.993 1.00 0.00 O ATOM 187 CB LYS A 10 14.908 38.524 2.068 1.00 0.00 C ATOM 188 CG LYS A 10 14.982 37.386 1.033 1.00 0.00 C ATOM 189 CD LYS A 10 14.996 37.907 -0.414 1.00 0.00 C ATOM 190 CE LYS A 10 16.217 38.788 -0.711 1.00 0.00 C ATOM 191 NZ LYS A 10 16.183 39.341 -2.090 1.00 0.00 N1+ ATOM 0 H LYS A 10 12.808 37.569 2.858 1.00 0.00 H new ATOM 0 HA LYS A 10 15.487 37.289 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.077 39.182 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.818 39.120 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.880 36.794 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.130 36.720 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.987 37.061 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.086 38.478 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.256 39.607 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.127 38.203 -0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.026 39.930 -2.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.172 38.560 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.328 39.921 -2.211 1.00 0.00 H new ATOM 205 N ALA A 11 16.160 39.657 4.646 1.00 0.00 N ATOM 206 CA ALA A 11 16.527 40.875 5.383 1.00 0.00 C ATOM 207 C ALA A 11 15.956 42.163 4.747 1.00 0.00 C ATOM 208 O ALA A 11 15.725 43.161 5.435 1.00 0.00 O ATOM 209 CB ALA A 11 18.060 40.949 5.448 1.00 0.00 C ATOM 0 H ALA A 11 16.967 39.169 4.258 1.00 0.00 H new ATOM 0 HA ALA A 11 16.093 40.814 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.358 41.846 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.445 40.068 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.466 40.985 4.437 1.00 0.00 H new ATOM 215 N ASP A 12 15.674 42.128 3.438 1.00 0.00 N ATOM 216 CA ASP A 12 15.006 43.184 2.672 1.00 0.00 C ATOM 217 C ASP A 12 13.491 43.305 2.973 1.00 0.00 C ATOM 218 O ASP A 12 12.837 44.226 2.483 1.00 0.00 O ATOM 219 CB ASP A 12 15.218 42.887 1.176 1.00 0.00 C ATOM 220 CG ASP A 12 16.688 42.820 0.714 1.00 0.00 C ATOM 221 OD1 ASP A 12 17.562 43.512 1.293 1.00 0.00 O ATOM 222 OD2 ASP A 12 16.966 42.091 -0.270 1.00 0.00 O1- ATOM 0 H ASP A 12 15.917 41.324 2.859 1.00 0.00 H new ATOM 0 HA ASP A 12 15.445 44.138 2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.738 41.937 0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.707 43.655 0.595 1.00 0.00 H new ATOM 227 N GLY A 13 12.923 42.361 3.737 1.00 0.00 N ATOM 228 CA GLY A 13 11.481 42.212 3.963 1.00 0.00 C ATOM 229 C GLY A 13 10.737 41.451 2.852 1.00 0.00 C ATOM 230 O GLY A 13 9.508 41.349 2.888 1.00 0.00 O ATOM 0 H GLY A 13 13.474 41.658 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.326 41.692 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.038 43.202 4.067 1.00 0.00 H new ATOM 234 N GLY A 14 11.465 40.921 1.861 1.00 0.00 N ATOM 235 CA GLY A 14 10.914 40.160 0.736 1.00 0.00 C ATOM 236 C GLY A 14 10.681 38.692 1.099 1.00 0.00 C ATOM 237 O GLY A 14 11.611 38.002 1.525 1.00 0.00 O ATOM 0 H GLY A 14 12.480 41.013 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.973 40.610 0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.596 40.220 -0.112 1.00 0.00 H new ATOM 241 N ARG A 15 9.451 38.187 0.933 1.00 0.00 N ATOM 242 CA ARG A 15 9.115 36.780 1.214 1.00 0.00 C ATOM 243 C ARG A 15 9.608 35.854 0.095 1.00 0.00 C ATOM 244 O ARG A 15 9.550 36.217 -1.082 1.00 0.00 O ATOM 245 CB ARG A 15 7.608 36.640 1.486 1.00 0.00 C ATOM 246 CG ARG A 15 7.302 35.366 2.297 1.00 0.00 C ATOM 247 CD ARG A 15 5.823 35.269 2.675 1.00 0.00 C ATOM 248 NE ARG A 15 4.990 34.920 1.503 1.00 0.00 N ATOM 249 CZ ARG A 15 3.683 34.723 1.504 1.00 0.00 C ATOM 250 NH1 ARG A 15 2.963 34.875 2.579 1.00 0.00 N1+ ATOM 251 NH2 ARG A 15 3.066 34.372 0.411 1.00 0.00 N ATOM 0 H ARG A 15 8.660 38.739 0.601 1.00 0.00 H new ATOM 0 HA ARG A 15 9.638 36.464 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.252 37.515 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.067 36.611 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.586 34.489 1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.909 35.358 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.693 34.517 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.489 36.219 3.091 1.00 0.00 H new ATOM 0 HE ARG A 15 5.470 34.822 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.406 35.154 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.956 34.715 2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.592 34.247 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.057 34.222 0.421 1.00 0.00 H new ATOM 265 N VAL A 16 10.066 34.660 0.464 1.00 0.00 N ATOM 266 CA VAL A 16 10.556 33.600 -0.426 1.00 0.00 C ATOM 267 C VAL A 16 9.851 32.282 -0.085 1.00 0.00 C ATOM 268 O VAL A 16 9.697 31.929 1.086 1.00 0.00 O ATOM 269 CB VAL A 16 12.094 33.482 -0.351 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.651 32.247 -1.075 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.776 34.718 -0.950 1.00 0.00 C ATOM 0 H VAL A 16 10.109 34.387 1.446 1.00 0.00 H new ATOM 0 HA VAL A 16 10.318 33.852 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 16 12.314 33.390 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.737 32.229 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.233 31.344 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.379 32.290 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.858 34.605 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.487 34.822 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.469 35.606 -0.398 1.00 0.00 H new ATOM 281 N GLU A 17 9.395 31.559 -1.106 1.00 0.00 N ATOM 282 CA GLU A 17 8.580 30.349 -0.977 1.00 0.00 C ATOM 283 C GLU A 17 9.004 29.298 -2.019 1.00 0.00 C ATOM 284 O GLU A 17 9.204 29.625 -3.191 1.00 0.00 O ATOM 285 CB GLU A 17 7.108 30.759 -1.103 1.00 0.00 C ATOM 286 CG GLU A 17 6.131 29.598 -0.929 1.00 0.00 C ATOM 287 CD GLU A 17 4.676 30.096 -0.851 1.00 0.00 C ATOM 288 OE1 GLU A 17 3.932 29.654 0.058 1.00 0.00 O ATOM 289 OE2 GLU A 17 4.252 30.917 -1.700 1.00 0.00 O1- ATOM 0 H GLU A 17 9.588 31.805 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 17 8.727 29.878 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.888 31.523 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.949 31.213 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.236 28.904 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.377 29.046 -0.022 1.00 0.00 H new ATOM 296 N ILE A 18 9.157 28.040 -1.588 1.00 0.00 N ATOM 297 CA ILE A 18 9.740 26.941 -2.379 1.00 0.00 C ATOM 298 C ILE A 18 8.824 25.722 -2.301 1.00 0.00 C ATOM 299 O ILE A 18 8.724 25.071 -1.260 1.00 0.00 O ATOM 300 CB ILE A 18 11.175 26.612 -1.902 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.099 27.843 -2.037 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.755 25.412 -2.681 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.505 27.635 -1.469 1.00 0.00 C ATOM 0 H ILE A 18 8.872 27.747 -0.654 1.00 0.00 H new ATOM 0 HA ILE A 18 9.819 27.250 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 18 11.121 26.340 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.180 28.109 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.635 28.689 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.764 25.202 -2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.125 24.537 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.786 25.649 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.090 28.545 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.437 27.400 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.991 26.811 -1.992 1.00 0.00 H new ATOM 315 N GLY A 19 8.151 25.426 -3.411 1.00 0.00 N ATOM 316 CA GLY A 19 7.229 24.297 -3.546 1.00 0.00 C ATOM 317 C GLY A 19 7.923 22.952 -3.801 1.00 0.00 C ATOM 318 O GLY A 19 9.098 22.888 -4.176 1.00 0.00 O ATOM 0 H GLY A 19 8.233 25.978 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.631 24.219 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.540 24.500 -4.366 1.00 0.00 H new ATOM 322 N ASP A 20 7.168 21.868 -3.621 1.00 0.00 N ATOM 323 CA ASP A 20 7.575 20.481 -3.888 1.00 0.00 C ATOM 324 C ASP A 20 8.864 20.033 -3.158 1.00 0.00 C ATOM 325 O ASP A 20 9.665 19.259 -3.688 1.00 0.00 O ATOM 326 CB ASP A 20 7.574 20.181 -5.407 1.00 0.00 C ATOM 327 CG ASP A 20 6.264 20.525 -6.148 1.00 0.00 C ATOM 328 OD1 ASP A 20 5.186 20.653 -5.518 1.00 0.00 O ATOM 329 OD2 ASP A 20 6.305 20.647 -7.397 1.00 0.00 O1- ATOM 0 H ASP A 20 6.213 21.932 -3.269 1.00 0.00 H new ATOM 0 HA ASP A 20 6.811 19.848 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.390 20.735 -5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.786 19.122 -5.551 1.00 0.00 H new ATOM 334 N VAL A 21 9.084 20.521 -1.928 1.00 0.00 N ATOM 335 CA VAL A 21 10.152 20.037 -1.032 1.00 0.00 C ATOM 336 C VAL A 21 9.839 18.613 -0.555 1.00 0.00 C ATOM 337 O VAL A 21 8.768 18.356 0.003 1.00 0.00 O ATOM 338 CB VAL A 21 10.448 21.010 0.137 1.00 0.00 C ATOM 339 CG1 VAL A 21 9.194 21.546 0.829 1.00 0.00 C ATOM 340 CG2 VAL A 21 11.352 20.384 1.201 1.00 0.00 C ATOM 0 H VAL A 21 8.522 21.269 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 21 11.077 20.002 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 21 10.959 21.845 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.483 22.220 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.583 22.087 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.621 20.714 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.529 21.106 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.869 19.499 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.303 20.101 0.750 1.00 0.00 H new ATOM 350 N LEU A 22 10.789 17.697 -0.763 1.00 0.00 N ATOM 351 CA LEU A 22 10.743 16.334 -0.211 1.00 0.00 C ATOM 352 C LEU A 22 11.416 16.259 1.166 1.00 0.00 C ATOM 353 O LEU A 22 10.968 15.500 2.019 1.00 0.00 O ATOM 354 CB LEU A 22 11.428 15.351 -1.178 1.00 0.00 C ATOM 355 CG LEU A 22 10.734 15.142 -2.540 1.00 0.00 C ATOM 356 CD1 LEU A 22 11.546 14.150 -3.370 1.00 0.00 C ATOM 357 CD2 LEU A 22 9.319 14.576 -2.403 1.00 0.00 C ATOM 0 H LEU A 22 11.621 17.879 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 22 9.695 16.060 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.444 15.702 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.509 14.383 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 22 10.671 16.121 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.060 13.998 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.550 14.544 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.608 13.199 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.880 14.450 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.361 13.610 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.707 15.264 -1.820 1.00 0.00 H new ATOM 369 N GLU A 23 12.490 17.023 1.390 1.00 0.00 N ATOM 370 CA GLU A 23 13.308 16.916 2.600 1.00 0.00 C ATOM 371 C GLU A 23 14.083 18.202 2.937 1.00 0.00 C ATOM 372 O GLU A 23 14.371 19.029 2.069 1.00 0.00 O ATOM 373 CB GLU A 23 14.251 15.702 2.477 1.00 0.00 C ATOM 374 CG GLU A 23 15.337 15.857 1.405 1.00 0.00 C ATOM 375 CD GLU A 23 16.138 14.552 1.225 1.00 0.00 C ATOM 376 OE1 GLU A 23 16.477 14.199 0.073 1.00 0.00 O ATOM 377 OE2 GLU A 23 16.392 13.840 2.225 1.00 0.00 O1- ATOM 0 H GLU A 23 12.816 17.734 0.735 1.00 0.00 H new ATOM 0 HA GLU A 23 12.628 16.768 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.730 15.528 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.657 14.816 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.878 16.138 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.013 16.665 1.684 1.00 0.00 H new ATOM 384 N VAL A 24 14.433 18.352 4.218 1.00 0.00 N ATOM 385 CA VAL A 24 15.177 19.485 4.792 1.00 0.00 C ATOM 386 C VAL A 24 16.197 18.978 5.824 1.00 0.00 C ATOM 387 O VAL A 24 15.975 17.944 6.470 1.00 0.00 O ATOM 388 CB VAL A 24 14.232 20.547 5.415 1.00 0.00 C ATOM 389 CG1 VAL A 24 14.957 21.844 5.807 1.00 0.00 C ATOM 390 CG2 VAL A 24 13.083 20.953 4.480 1.00 0.00 C ATOM 0 H VAL A 24 14.194 17.653 4.921 1.00 0.00 H new ATOM 0 HA VAL A 24 15.712 19.978 3.981 1.00 0.00 H new ATOM 0 HB VAL A 24 13.841 20.049 6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 24 14.241 22.545 6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 24 15.731 21.620 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 24 15.413 22.287 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.458 21.698 4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.493 21.374 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.482 20.076 4.241 1.00 0.00 H new ATOM 400 N ARG A 25 17.306 19.702 5.992 1.00 0.00 N ATOM 401 CA ARG A 25 18.316 19.522 7.052 1.00 0.00 C ATOM 402 C ARG A 25 18.576 20.837 7.781 1.00 0.00 C ATOM 403 O ARG A 25 18.608 21.895 7.147 1.00 0.00 O ATOM 404 CB ARG A 25 19.638 19.008 6.453 1.00 0.00 C ATOM 405 CG ARG A 25 19.561 17.684 5.678 1.00 0.00 C ATOM 406 CD ARG A 25 19.176 16.501 6.571 1.00 0.00 C ATOM 407 NE ARG A 25 19.127 15.251 5.791 1.00 0.00 N ATOM 408 CZ ARG A 25 18.140 14.854 5.007 1.00 0.00 C ATOM 409 NH1 ARG A 25 18.306 13.830 4.220 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 16.984 15.452 4.952 1.00 0.00 N ATOM 0 H ARG A 25 17.541 20.470 5.363 1.00 0.00 H new ATOM 0 HA ARG A 25 17.928 18.790 7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 25 20.032 19.774 5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 25 20.358 18.890 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 25 18.832 17.780 4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 25 20.526 17.484 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 25 19.898 16.401 7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 25 18.205 16.687 7.030 1.00 0.00 H new ATOM 0 HE ARG A 25 19.934 14.632 5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 25 19.198 13.335 4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 25 17.544 13.523 3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.805 16.271 5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.258 15.101 4.328 1.00 0.00 H new ATOM 424 N ALA A 26 18.819 20.768 9.088 1.00 0.00 N ATOM 425 CA ALA A 26 19.370 21.867 9.879 1.00 0.00 C ATOM 426 C ALA A 26 20.826 21.577 10.277 1.00 0.00 C ATOM 427 O ALA A 26 21.152 20.505 10.791 1.00 0.00 O ATOM 428 CB ALA A 26 18.464 22.129 11.087 1.00 0.00 C ATOM 0 H ALA A 26 18.635 19.929 9.639 1.00 0.00 H new ATOM 0 HA ALA A 26 19.395 22.777 9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.873 22.948 11.678 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.465 22.395 10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.408 21.231 11.702 1.00 0.00 H new ATOM 434 N GLU A 27 21.708 22.543 10.026 1.00 0.00 N ATOM 435 CA GLU A 27 23.113 22.573 10.456 1.00 0.00 C ATOM 436 C GLU A 27 23.291 23.523 11.664 1.00 0.00 C ATOM 437 O GLU A 27 22.370 24.258 12.033 1.00 0.00 O ATOM 438 CB GLU A 27 24.007 23.013 9.276 1.00 0.00 C ATOM 439 CG GLU A 27 23.917 22.068 8.066 1.00 0.00 C ATOM 440 CD GLU A 27 24.969 22.357 6.972 1.00 0.00 C ATOM 441 OE1 GLU A 27 25.190 21.476 6.102 1.00 0.00 O ATOM 442 OE2 GLU A 27 25.571 23.460 6.939 1.00 0.00 O1- ATOM 0 H GLU A 27 21.452 23.372 9.489 1.00 0.00 H new ATOM 0 HA GLU A 27 23.411 21.573 10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.721 24.018 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 27 25.042 23.065 9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 27 24.036 21.040 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 27 22.921 22.145 7.629 1.00 0.00 H new ATOM 449 N GLY A 28 24.484 23.542 12.267 1.00 0.00 N ATOM 450 CA GLY A 28 24.871 24.461 13.350 1.00 0.00 C ATOM 451 C GLY A 28 25.058 25.920 12.894 1.00 0.00 C ATOM 452 O GLY A 28 26.163 26.460 12.998 1.00 0.00 O ATOM 0 H GLY A 28 25.233 22.899 12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.110 24.429 14.130 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.800 24.109 13.797 1.00 0.00 H new ATOM 456 N GLY A 29 23.995 26.541 12.371 1.00 0.00 N ATOM 457 CA GLY A 29 23.961 27.928 11.879 1.00 0.00 C ATOM 458 C GLY A 29 23.205 28.154 10.560 1.00 0.00 C ATOM 459 O GLY A 29 23.255 29.266 10.028 1.00 0.00 O ATOM 0 H GLY A 29 23.094 26.072 12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.508 28.555 12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 29 24.987 28.273 11.751 1.00 0.00 H new ATOM 463 N ALA A 30 22.541 27.136 9.995 1.00 0.00 N ATOM 464 CA ALA A 30 21.880 27.205 8.680 1.00 0.00 C ATOM 465 C ALA A 30 20.805 26.110 8.490 1.00 0.00 C ATOM 466 O ALA A 30 20.791 25.112 9.213 1.00 0.00 O ATOM 467 CB ALA A 30 22.960 27.060 7.595 1.00 0.00 C ATOM 0 H ALA A 30 22.445 26.225 10.445 1.00 0.00 H new ATOM 0 HA ALA A 30 21.366 28.163 8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.495 27.108 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.685 27.868 7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.466 26.102 7.711 1.00 0.00 H new ATOM 473 N VAL A 31 19.978 26.244 7.445 1.00 0.00 N ATOM 474 CA VAL A 31 19.157 25.142 6.890 1.00 0.00 C ATOM 475 C VAL A 31 19.390 24.918 5.395 1.00 0.00 C ATOM 476 O VAL A 31 19.782 25.840 4.670 1.00 0.00 O ATOM 477 CB VAL A 31 17.643 25.292 7.164 1.00 0.00 C ATOM 478 CG1 VAL A 31 17.321 25.213 8.658 1.00 0.00 C ATOM 479 CG2 VAL A 31 17.054 26.571 6.572 1.00 0.00 C ATOM 0 H VAL A 31 19.854 27.127 6.951 1.00 0.00 H new ATOM 0 HA VAL A 31 19.504 24.261 7.430 1.00 0.00 H new ATOM 0 HB VAL A 31 17.173 24.448 6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.247 25.323 8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.644 24.248 9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.843 26.011 9.185 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.989 26.619 6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.556 27.437 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.196 26.571 5.491 1.00 0.00 H new ATOM 489 N ARG A 32 19.137 23.688 4.936 1.00 0.00 N ATOM 490 CA ARG A 32 19.303 23.219 3.549 1.00 0.00 C ATOM 491 C ARG A 32 18.066 22.433 3.108 1.00 0.00 C ATOM 492 O ARG A 32 17.684 21.453 3.750 1.00 0.00 O ATOM 493 CB ARG A 32 20.584 22.368 3.439 1.00 0.00 C ATOM 494 CG ARG A 32 21.863 23.202 3.637 1.00 0.00 C ATOM 495 CD ARG A 32 23.113 22.337 3.839 1.00 0.00 C ATOM 496 NE ARG A 32 23.470 21.569 2.634 1.00 0.00 N ATOM 497 CZ ARG A 32 24.511 20.772 2.491 1.00 0.00 C ATOM 498 NH1 ARG A 32 25.363 20.536 3.450 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 24.697 20.199 1.341 1.00 0.00 N ATOM 0 H ARG A 32 18.793 22.951 5.551 1.00 0.00 H new ATOM 0 HA ARG A 32 19.406 24.075 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.553 21.573 4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.615 21.888 2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 32 22.009 23.846 2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.735 23.855 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.951 22.975 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.944 21.649 4.667 1.00 0.00 H new ATOM 0 HE ARG A 32 22.850 21.663 1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 32 25.240 20.977 4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 32 26.153 19.911 3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 32 24.046 20.370 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 32 25.494 19.578 1.204 1.00 0.00 H new ATOM 513 N VAL A 33 17.429 22.879 2.031 1.00 0.00 N ATOM 514 CA VAL A 33 16.148 22.384 1.485 1.00 0.00 C ATOM 515 C VAL A 33 16.386 21.663 0.151 1.00 0.00 C ATOM 516 O VAL A 33 17.120 22.188 -0.689 1.00 0.00 O ATOM 517 CB VAL A 33 15.191 23.579 1.277 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.855 23.179 0.643 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.889 24.302 2.598 1.00 0.00 C ATOM 0 H VAL A 33 17.808 23.644 1.473 1.00 0.00 H new ATOM 0 HA VAL A 33 15.703 21.678 2.186 1.00 0.00 H new ATOM 0 HB VAL A 33 15.720 24.243 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.229 24.064 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.036 22.729 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.348 22.460 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.213 25.136 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.422 23.606 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.818 24.678 3.028 1.00 0.00 H new ATOM 529 N THR A 34 15.746 20.506 -0.076 1.00 0.00 N ATOM 530 CA THR A 34 15.852 19.745 -1.342 1.00 0.00 C ATOM 531 C THR A 34 14.479 19.407 -1.939 1.00 0.00 C ATOM 532 O THR A 34 13.609 18.848 -1.262 1.00 0.00 O ATOM 533 CB THR A 34 16.696 18.471 -1.163 1.00 0.00 C ATOM 534 OG1 THR A 34 17.997 18.797 -0.723 1.00 0.00 O ATOM 535 CG2 THR A 34 16.859 17.669 -2.458 1.00 0.00 C ATOM 0 H THR A 34 15.136 20.065 0.613 1.00 0.00 H new ATOM 0 HA THR A 34 16.361 20.397 -2.052 1.00 0.00 H new ATOM 0 HB THR A 34 16.157 17.869 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.520 17.976 -0.612 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.464 16.783 -2.264 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.878 17.365 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.351 18.287 -3.209 1.00 0.00 H new ATOM 543 N THR A 35 14.276 19.741 -3.218 1.00 0.00 N ATOM 544 CA THR A 35 13.011 19.543 -3.953 1.00 0.00 C ATOM 545 C THR A 35 12.945 18.217 -4.722 1.00 0.00 C ATOM 546 O THR A 35 13.957 17.544 -4.945 1.00 0.00 O ATOM 547 CB THR A 35 12.711 20.711 -4.908 1.00 0.00 C ATOM 548 OG1 THR A 35 13.590 20.695 -6.015 1.00 0.00 O ATOM 549 CG2 THR A 35 12.799 22.074 -4.218 1.00 0.00 C ATOM 0 H THR A 35 15.004 20.169 -3.791 1.00 0.00 H new ATOM 0 HA THR A 35 12.244 19.507 -3.179 1.00 0.00 H new ATOM 0 HB THR A 35 11.685 20.570 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.380 21.445 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.578 22.862 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.078 22.116 -3.402 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.804 22.217 -3.821 1.00 0.00 H new ATOM 557 N LEU A 36 11.737 17.869 -5.180 1.00 0.00 N ATOM 558 CA LEU A 36 11.441 16.746 -6.082 1.00 0.00 C ATOM 559 C LEU A 36 12.285 16.763 -7.373 1.00 0.00 C ATOM 560 O LEU A 36 12.602 15.701 -7.920 1.00 0.00 O ATOM 561 CB LEU A 36 9.923 16.797 -6.360 1.00 0.00 C ATOM 562 CG LEU A 36 9.372 15.704 -7.299 1.00 0.00 C ATOM 563 CD1 LEU A 36 7.930 15.375 -6.900 1.00 0.00 C ATOM 564 CD2 LEU A 36 9.333 16.142 -8.765 1.00 0.00 C ATOM 0 H LEU A 36 10.898 18.387 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 36 11.715 15.802 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.397 16.730 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.684 17.771 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 36 10.041 14.849 -7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.537 14.603 -7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.910 15.016 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.316 16.272 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.936 15.331 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.694 17.019 -8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.341 16.388 -9.098 1.00 0.00 H new ATOM 576 N PHE A 37 12.670 17.952 -7.841 1.00 0.00 N ATOM 577 CA PHE A 37 13.465 18.180 -9.055 1.00 0.00 C ATOM 578 C PHE A 37 14.990 18.074 -8.819 1.00 0.00 C ATOM 579 O PHE A 37 15.780 18.433 -9.693 1.00 0.00 O ATOM 580 CB PHE A 37 13.057 19.535 -9.663 1.00 0.00 C ATOM 581 CG PHE A 37 11.559 19.675 -9.850 1.00 0.00 C ATOM 582 CD1 PHE A 37 10.794 20.421 -8.927 1.00 0.00 C ATOM 583 CD2 PHE A 37 10.914 19.019 -10.915 1.00 0.00 C ATOM 584 CE1 PHE A 37 9.396 20.493 -9.070 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.517 19.095 -11.056 1.00 0.00 C ATOM 586 CZ PHE A 37 8.757 19.826 -10.125 1.00 0.00 C ATOM 0 H PHE A 37 12.427 18.821 -7.366 1.00 0.00 H new ATOM 0 HA PHE A 37 13.246 17.383 -9.765 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.413 20.338 -9.018 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.551 19.658 -10.627 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.281 20.936 -8.112 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.496 18.454 -11.628 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.812 21.065 -8.364 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.028 18.593 -11.878 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.682 19.873 -10.223 1.00 0.00 H new ATOM 596 N ASP A 38 15.419 17.598 -7.643 1.00 0.00 N ATOM 597 CA ASP A 38 16.818 17.491 -7.187 1.00 0.00 C ATOM 598 C ASP A 38 17.564 18.840 -7.051 1.00 0.00 C ATOM 599 O ASP A 38 18.791 18.862 -6.925 1.00 0.00 O ATOM 600 CB ASP A 38 17.611 16.455 -8.016 1.00 0.00 C ATOM 601 CG ASP A 38 16.929 15.086 -8.163 1.00 0.00 C ATOM 602 OD1 ASP A 38 16.296 14.588 -7.198 1.00 0.00 O ATOM 603 OD2 ASP A 38 17.062 14.461 -9.243 1.00 0.00 O1- ATOM 0 H ASP A 38 14.763 17.256 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 38 16.755 17.121 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.788 16.865 -9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.587 16.311 -7.553 1.00 0.00 H new ATOM 608 N GLU A 39 16.844 19.966 -7.039 1.00 0.00 N ATOM 609 CA GLU A 39 17.402 21.286 -6.724 1.00 0.00 C ATOM 610 C GLU A 39 17.607 21.458 -5.211 1.00 0.00 C ATOM 611 O GLU A 39 16.759 21.063 -4.408 1.00 0.00 O ATOM 612 CB GLU A 39 16.507 22.415 -7.264 1.00 0.00 C ATOM 613 CG GLU A 39 16.324 22.406 -8.795 1.00 0.00 C ATOM 614 CD GLU A 39 17.636 22.579 -9.594 1.00 0.00 C ATOM 615 OE1 GLU A 39 17.709 22.096 -10.752 1.00 0.00 O ATOM 616 OE2 GLU A 39 18.597 23.224 -9.098 1.00 0.00 O1- ATOM 0 H GLU A 39 15.846 19.987 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 39 18.373 21.349 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.527 22.342 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.933 23.373 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.856 21.466 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.636 23.205 -9.072 1.00 0.00 H new ATOM 623 N GLU A 40 18.727 22.074 -4.821 1.00 0.00 N ATOM 624 CA GLU A 40 19.082 22.378 -3.428 1.00 0.00 C ATOM 625 C GLU A 40 19.111 23.899 -3.176 1.00 0.00 C ATOM 626 O GLU A 40 19.638 24.663 -3.988 1.00 0.00 O ATOM 627 CB GLU A 40 20.419 21.713 -3.076 1.00 0.00 C ATOM 628 CG GLU A 40 20.867 21.980 -1.626 1.00 0.00 C ATOM 629 CD GLU A 40 22.156 21.235 -1.223 1.00 0.00 C ATOM 630 OE1 GLU A 40 22.455 21.183 -0.006 1.00 0.00 O ATOM 631 OE2 GLU A 40 22.905 20.723 -2.092 1.00 0.00 O1- ATOM 0 H GLU A 40 19.435 22.385 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 40 18.315 21.969 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.334 20.637 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.188 22.074 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 40 21.022 23.051 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 40 20.064 21.689 -0.949 1.00 0.00 H new ATOM 638 N HIS A 41 18.576 24.333 -2.030 1.00 0.00 N ATOM 639 CA HIS A 41 18.477 25.744 -1.620 1.00 0.00 C ATOM 640 C HIS A 41 18.941 25.895 -0.166 1.00 0.00 C ATOM 641 O HIS A 41 18.430 25.202 0.716 1.00 0.00 O ATOM 642 CB HIS A 41 17.024 26.229 -1.790 1.00 0.00 C ATOM 643 CG HIS A 41 16.411 25.917 -3.137 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.508 26.706 -4.288 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.685 24.798 -3.428 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.833 26.045 -5.250 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.330 24.898 -4.758 1.00 0.00 N ATOM 0 H HIS A 41 18.186 23.694 -1.337 1.00 0.00 H new ATOM 0 HA HIS A 41 19.122 26.357 -2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.410 25.776 -1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.994 27.307 -1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.437 23.994 -2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.713 26.387 -6.268 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.779 24.217 -5.280 1.00 0.00 H new ATOM 655 N ALA A 42 19.914 26.771 0.100 1.00 0.00 N ATOM 656 CA ALA A 42 20.540 26.922 1.419 1.00 0.00 C ATOM 657 C ALA A 42 20.319 28.328 2.010 1.00 0.00 C ATOM 658 O ALA A 42 20.403 29.331 1.298 1.00 0.00 O ATOM 659 CB ALA A 42 22.025 26.568 1.304 1.00 0.00 C ATOM 0 H ALA A 42 20.295 27.404 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 42 20.065 26.235 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.501 26.676 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.128 25.538 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.504 27.237 0.589 1.00 0.00 H new ATOM 665 N PHE A 43 20.060 28.395 3.322 1.00 0.00 N ATOM 666 CA PHE A 43 19.704 29.617 4.050 1.00 0.00 C ATOM 667 C PHE A 43 20.415 29.690 5.415 1.00 0.00 C ATOM 668 O PHE A 43 19.917 29.160 6.417 1.00 0.00 O ATOM 669 CB PHE A 43 18.173 29.705 4.194 1.00 0.00 C ATOM 670 CG PHE A 43 17.439 29.726 2.864 1.00 0.00 C ATOM 671 CD1 PHE A 43 16.883 28.546 2.336 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.354 30.930 2.136 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.266 28.564 1.073 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.740 30.947 0.873 1.00 0.00 C ATOM 675 CZ PHE A 43 16.210 29.763 0.338 1.00 0.00 C ATOM 0 H PHE A 43 20.094 27.573 3.925 1.00 0.00 H new ATOM 0 HA PHE A 43 20.047 30.480 3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.822 28.856 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 43 17.920 30.605 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 43 16.930 27.627 2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 43 17.762 31.840 2.550 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.836 27.660 0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.676 31.869 0.315 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.757 29.772 -0.642 1.00 0.00 H new ATOM 685 N PRO A 44 21.587 30.351 5.491 1.00 0.00 N ATOM 686 CA PRO A 44 22.275 30.643 6.751 1.00 0.00 C ATOM 687 C PRO A 44 21.444 31.539 7.678 1.00 0.00 C ATOM 688 O PRO A 44 20.723 32.435 7.232 1.00 0.00 O ATOM 689 CB PRO A 44 23.614 31.293 6.370 1.00 0.00 C ATOM 690 CG PRO A 44 23.842 30.810 4.935 1.00 0.00 C ATOM 691 CD PRO A 44 22.425 30.756 4.376 1.00 0.00 C ATOM 0 HA PRO A 44 22.433 29.728 7.322 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.564 32.380 6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.418 30.977 7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.475 31.496 4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.327 29.834 4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 44 22.119 31.727 3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.354 30.045 3.553 1.00 0.00 H new ATOM 699 N GLY A 45 21.566 31.311 8.987 1.00 0.00 N ATOM 700 CA GLY A 45 20.912 32.100 10.040 1.00 0.00 C ATOM 701 C GLY A 45 19.443 31.744 10.302 1.00 0.00 C ATOM 702 O GLY A 45 18.823 32.347 11.177 1.00 0.00 O ATOM 0 H GLY A 45 22.138 30.552 9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.471 31.974 10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.972 33.155 9.772 1.00 0.00 H new ATOM 706 N LEU A 46 18.882 30.768 9.578 1.00 0.00 N ATOM 707 CA LEU A 46 17.544 30.217 9.808 1.00 0.00 C ATOM 708 C LEU A 46 17.601 28.817 10.448 1.00 0.00 C ATOM 709 O LEU A 46 18.612 28.107 10.360 1.00 0.00 O ATOM 710 CB LEU A 46 16.725 30.200 8.503 1.00 0.00 C ATOM 711 CG LEU A 46 16.516 31.559 7.812 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.569 31.370 6.624 1.00 0.00 C ATOM 713 CD2 LEU A 46 15.910 32.623 8.726 1.00 0.00 C ATOM 0 H LEU A 46 19.362 30.328 8.793 1.00 0.00 H new ATOM 0 HA LEU A 46 17.039 30.873 10.518 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.218 29.530 7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.746 29.772 8.719 1.00 0.00 H new ATOM 0 HG LEU A 46 17.503 31.907 7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.414 32.327 6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.006 30.662 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.613 30.986 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.791 33.554 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.936 32.286 9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.569 32.789 9.578 1.00 0.00 H new ATOM 725 N ALA A 47 16.484 28.421 11.056 1.00 0.00 N ATOM 726 CA ALA A 47 16.185 27.106 11.620 1.00 0.00 C ATOM 727 C ALA A 47 14.736 26.694 11.294 1.00 0.00 C ATOM 728 O ALA A 47 13.898 27.548 10.985 1.00 0.00 O ATOM 729 CB ALA A 47 16.438 27.162 13.127 1.00 0.00 C ATOM 0 H ALA A 47 15.701 29.064 11.177 1.00 0.00 H new ATOM 0 HA ALA A 47 16.832 26.347 11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.221 26.190 13.569 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.481 27.420 13.312 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.793 27.917 13.576 1.00 0.00 H new ATOM 735 N ILE A 48 14.424 25.398 11.375 1.00 0.00 N ATOM 736 CA ILE A 48 13.073 24.873 11.129 1.00 0.00 C ATOM 737 C ILE A 48 12.166 25.217 12.327 1.00 0.00 C ATOM 738 O ILE A 48 12.402 24.747 13.444 1.00 0.00 O ATOM 739 CB ILE A 48 13.105 23.355 10.827 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.102 23.003 9.695 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.688 22.860 10.475 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.277 21.498 9.460 1.00 0.00 C ATOM 0 H ILE A 48 15.104 24.677 11.614 1.00 0.00 H new ATOM 0 HA ILE A 48 12.657 25.348 10.240 1.00 0.00 H new ATOM 0 HB ILE A 48 13.453 22.846 11.726 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.762 23.467 8.769 1.00 0.00 H new ATOM 0 HG13 ILE A 48 15.073 23.438 9.932 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.718 21.791 10.264 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.019 23.045 11.315 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.324 23.393 9.597 1.00 0.00 H new ATOM 0 HD11 ILE A 48 14.991 21.336 8.652 1.00 0.00 H new ATOM 0 HD12 ILE A 48 14.648 21.028 10.371 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.317 21.058 9.190 1.00 0.00 H new ATOM 754 N GLY A 49 11.139 26.044 12.103 1.00 0.00 N ATOM 755 CA GLY A 49 10.212 26.532 13.127 1.00 0.00 C ATOM 756 C GLY A 49 8.917 25.717 13.237 1.00 0.00 C ATOM 757 O GLY A 49 8.435 25.462 14.342 1.00 0.00 O ATOM 0 H GLY A 49 10.924 26.403 11.173 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.717 26.524 14.093 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.959 27.569 12.908 1.00 0.00 H new ATOM 761 N ARG A 50 8.367 25.268 12.100 1.00 0.00 N ATOM 762 CA ARG A 50 7.156 24.432 12.008 1.00 0.00 C ATOM 763 C ARG A 50 7.263 23.404 10.885 1.00 0.00 C ATOM 764 O ARG A 50 7.769 23.721 9.808 1.00 0.00 O ATOM 765 CB ARG A 50 5.911 25.301 11.744 1.00 0.00 C ATOM 766 CG ARG A 50 5.456 26.179 12.920 1.00 0.00 C ATOM 767 CD ARG A 50 4.326 27.150 12.535 1.00 0.00 C ATOM 768 NE ARG A 50 3.176 26.470 11.897 1.00 0.00 N ATOM 769 CZ ARG A 50 1.908 26.829 11.938 1.00 0.00 C ATOM 770 NH1 ARG A 50 1.478 27.821 12.663 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 1.038 26.178 11.229 1.00 0.00 N ATOM 0 H ARG A 50 8.765 25.483 11.186 1.00 0.00 H new ATOM 0 HA ARG A 50 7.062 23.915 12.963 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.114 25.946 10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.086 24.647 11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.118 25.540 13.736 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.307 26.748 13.293 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.983 27.673 13.428 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.719 27.905 11.854 1.00 0.00 H new ATOM 0 HE ARG A 50 3.389 25.627 11.364 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.132 28.358 13.232 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.487 28.061 12.662 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.337 25.396 10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.055 26.448 11.254 1.00 0.00 H new ATOM 785 N VAL A 51 6.681 22.226 11.112 1.00 0.00 N ATOM 786 CA VAL A 51 6.312 21.257 10.068 1.00 0.00 C ATOM 787 C VAL A 51 4.833 20.901 10.238 1.00 0.00 C ATOM 788 O VAL A 51 4.426 20.409 11.290 1.00 0.00 O ATOM 789 CB VAL A 51 7.202 19.994 10.107 1.00 0.00 C ATOM 790 CG1 VAL A 51 6.897 19.069 8.923 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.699 20.330 10.060 1.00 0.00 C ATOM 0 H VAL A 51 6.445 21.907 12.051 1.00 0.00 H new ATOM 0 HA VAL A 51 6.473 21.710 9.090 1.00 0.00 H new ATOM 0 HB VAL A 51 6.973 19.500 11.052 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.537 18.188 8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.852 18.761 8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.085 19.599 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.280 19.408 10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.922 20.870 9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.960 20.951 10.917 1.00 0.00 H new ATOM 801 N ASP A 52 4.027 21.146 9.206 1.00 0.00 N ATOM 802 CA ASP A 52 2.616 20.770 9.115 1.00 0.00 C ATOM 803 C ASP A 52 2.439 19.662 8.070 1.00 0.00 C ATOM 804 O ASP A 52 2.315 19.933 6.871 1.00 0.00 O ATOM 805 CB ASP A 52 1.755 22.001 8.778 1.00 0.00 C ATOM 806 CG ASP A 52 1.770 23.066 9.876 1.00 0.00 C ATOM 807 OD1 ASP A 52 1.356 22.756 11.017 1.00 0.00 O ATOM 808 OD2 ASP A 52 2.201 24.217 9.636 1.00 0.00 O1- ATOM 0 H ASP A 52 4.354 21.634 8.372 1.00 0.00 H new ATOM 0 HA ASP A 52 2.283 20.386 10.079 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.112 22.443 7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.727 21.681 8.605 1.00 0.00 H new ATOM 813 N LEU A 53 2.417 18.401 8.519 1.00 0.00 N ATOM 814 CA LEU A 53 2.205 17.232 7.660 1.00 0.00 C ATOM 815 C LEU A 53 0.789 17.221 7.062 1.00 0.00 C ATOM 816 O LEU A 53 0.592 16.872 5.896 1.00 0.00 O ATOM 817 CB LEU A 53 2.420 15.930 8.461 1.00 0.00 C ATOM 818 CG LEU A 53 3.792 15.651 9.094 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.922 15.806 8.078 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.087 16.465 10.352 1.00 0.00 C ATOM 0 H LEU A 53 2.548 18.162 9.502 1.00 0.00 H new ATOM 0 HA LEU A 53 2.929 17.292 6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.681 15.913 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.190 15.096 7.798 1.00 0.00 H new ATOM 0 HG LEU A 53 3.741 14.611 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.877 15.601 8.562 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.773 15.104 7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.924 16.824 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.075 16.204 10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.059 17.528 10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.337 16.245 11.112 1.00 0.00 H new ATOM 832 N ARG A 54 -0.189 17.638 7.871 1.00 0.00 N ATOM 833 CA ARG A 54 -1.606 17.761 7.505 1.00 0.00 C ATOM 834 C ARG A 54 -1.860 18.843 6.444 1.00 0.00 C ATOM 835 O ARG A 54 -2.655 18.625 5.527 1.00 0.00 O ATOM 836 CB ARG A 54 -2.382 18.020 8.810 1.00 0.00 C ATOM 837 CG ARG A 54 -3.903 18.108 8.628 1.00 0.00 C ATOM 838 CD ARG A 54 -4.633 18.167 9.978 1.00 0.00 C ATOM 839 NE ARG A 54 -4.159 19.275 10.839 1.00 0.00 N ATOM 840 CZ ARG A 54 -4.593 20.523 10.862 1.00 0.00 C ATOM 841 NH1 ARG A 54 -5.559 20.946 10.098 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -4.048 21.379 11.669 1.00 0.00 N ATOM 0 H ARG A 54 -0.010 17.910 8.838 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.951 16.842 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.157 17.222 9.518 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.026 18.950 9.254 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.149 18.994 8.042 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.253 17.244 8.062 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.703 18.281 9.803 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.495 17.221 10.502 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.409 19.048 11.492 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.013 20.305 9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.861 21.919 10.150 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.287 21.088 12.283 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.380 22.343 11.690 1.00 0.00 H new ATOM 856 N SER A 55 -1.182 19.985 6.551 1.00 0.00 N ATOM 857 CA SER A 55 -1.327 21.128 5.626 1.00 0.00 C ATOM 858 C SER A 55 -0.384 21.065 4.408 1.00 0.00 C ATOM 859 O SER A 55 -0.659 21.708 3.393 1.00 0.00 O ATOM 860 CB SER A 55 -1.093 22.452 6.366 1.00 0.00 C ATOM 861 OG SER A 55 -1.890 22.554 7.537 1.00 0.00 O ATOM 0 H SER A 55 -0.503 20.153 7.293 1.00 0.00 H new ATOM 0 HA SER A 55 -2.348 21.071 5.249 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.040 22.536 6.635 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.319 23.285 5.700 1.00 0.00 H new ATOM 0 HG SER A 55 -1.711 23.409 7.981 1.00 0.00 H new ATOM 867 N GLY A 56 0.726 20.325 4.499 1.00 0.00 N ATOM 868 CA GLY A 56 1.789 20.302 3.487 1.00 0.00 C ATOM 869 C GLY A 56 2.646 21.577 3.486 1.00 0.00 C ATOM 870 O GLY A 56 2.921 22.137 2.421 1.00 0.00 O ATOM 0 H GLY A 56 0.915 19.713 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.432 19.439 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.342 20.171 2.502 1.00 0.00 H new ATOM 874 N VAL A 57 3.048 22.060 4.670 1.00 0.00 N ATOM 875 CA VAL A 57 3.789 23.328 4.856 1.00 0.00 C ATOM 876 C VAL A 57 4.968 23.171 5.827 1.00 0.00 C ATOM 877 O VAL A 57 4.868 22.481 6.842 1.00 0.00 O ATOM 878 CB VAL A 57 2.842 24.472 5.305 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.571 25.810 5.508 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.739 24.722 4.264 1.00 0.00 C ATOM 0 H VAL A 57 2.866 21.574 5.548 1.00 0.00 H new ATOM 0 HA VAL A 57 4.207 23.598 3.886 1.00 0.00 H new ATOM 0 HB VAL A 57 2.425 24.136 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.856 26.570 5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.337 25.694 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.038 26.116 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.091 25.529 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.193 25.000 3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.150 23.814 4.133 1.00 0.00 H new ATOM 890 N ILE A 58 6.079 23.846 5.532 1.00 0.00 N ATOM 891 CA ILE A 58 7.254 24.006 6.412 1.00 0.00 C ATOM 892 C ILE A 58 7.536 25.508 6.563 1.00 0.00 C ATOM 893 O ILE A 58 7.550 26.237 5.569 1.00 0.00 O ATOM 894 CB ILE A 58 8.476 23.229 5.858 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.195 21.705 5.851 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.753 23.537 6.661 1.00 0.00 C ATOM 897 CD1 ILE A 58 9.231 20.875 5.083 1.00 0.00 C ATOM 0 H ILE A 58 6.197 24.319 4.636 1.00 0.00 H new ATOM 0 HA ILE A 58 7.051 23.582 7.396 1.00 0.00 H new ATOM 0 HB ILE A 58 8.640 23.560 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.154 21.350 6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.212 21.531 5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.589 22.975 6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.969 24.604 6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.606 23.250 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.958 19.821 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.257 21.199 4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.214 21.015 5.532 1.00 0.00 H new ATOM 909 N SER A 59 7.786 25.983 7.787 1.00 0.00 N ATOM 910 CA SER A 59 8.101 27.395 8.076 1.00 0.00 C ATOM 911 C SER A 59 9.463 27.538 8.752 1.00 0.00 C ATOM 912 O SER A 59 9.767 26.812 9.701 1.00 0.00 O ATOM 913 CB SER A 59 7.000 28.022 8.931 1.00 0.00 C ATOM 914 OG SER A 59 7.189 29.421 9.058 1.00 0.00 O ATOM 0 H SER A 59 7.776 25.394 8.620 1.00 0.00 H new ATOM 0 HA SER A 59 8.150 27.929 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.027 27.822 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.995 27.561 9.919 1.00 0.00 H new ATOM 0 HG SER A 59 6.471 29.799 9.608 1.00 0.00 H new ATOM 920 N LEU A 60 10.282 28.468 8.251 1.00 0.00 N ATOM 921 CA LEU A 60 11.622 28.763 8.768 1.00 0.00 C ATOM 922 C LEU A 60 11.639 30.056 9.600 1.00 0.00 C ATOM 923 O LEU A 60 10.967 31.035 9.268 1.00 0.00 O ATOM 924 CB LEU A 60 12.621 28.821 7.599 1.00 0.00 C ATOM 925 CG LEU A 60 12.671 27.571 6.693 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.662 27.814 5.556 1.00 0.00 C ATOM 927 CD2 LEU A 60 13.078 26.322 7.471 1.00 0.00 C ATOM 0 H LEU A 60 10.025 29.051 7.455 1.00 0.00 H new ATOM 0 HA LEU A 60 11.922 27.962 9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.377 29.685 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.618 28.991 8.006 1.00 0.00 H new ATOM 0 HG LEU A 60 11.671 27.401 6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.701 26.934 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.341 28.676 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.652 28.005 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.101 25.465 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 60 14.067 26.470 7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.357 26.138 8.267 1.00 0.00 H new ATOM 939 N ILE A 61 12.439 30.063 10.671 1.00 0.00 N ATOM 940 CA ILE A 61 12.562 31.154 11.659 1.00 0.00 C ATOM 941 C ILE A 61 14.028 31.494 11.946 1.00 0.00 C ATOM 942 O ILE A 61 14.914 30.671 11.735 1.00 0.00 O ATOM 943 CB ILE A 61 11.794 30.834 12.962 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.389 29.629 13.738 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.299 30.605 12.677 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.258 30.041 14.933 1.00 0.00 C ATOM 0 H ILE A 61 13.049 29.275 10.888 1.00 0.00 H new ATOM 0 HA ILE A 61 12.102 32.038 11.218 1.00 0.00 H new ATOM 0 HB ILE A 61 11.905 31.708 13.604 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.575 28.997 14.092 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.987 29.026 13.055 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.781 30.382 13.610 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.872 31.503 12.231 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.184 29.768 11.989 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.641 29.149 15.429 1.00 0.00 H new ATOM 0 HD12 ILE A 61 14.093 30.648 14.584 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.659 30.619 15.637 1.00 0.00 H new ATOM 958 N GLU A 62 14.303 32.705 12.432 1.00 0.00 N ATOM 959 CA GLU A 62 15.668 33.194 12.689 1.00 0.00 C ATOM 960 C GLU A 62 16.332 32.491 13.888 1.00 0.00 C ATOM 961 O GLU A 62 15.876 32.603 15.030 1.00 0.00 O ATOM 962 CB GLU A 62 15.673 34.716 12.896 1.00 0.00 C ATOM 963 CG GLU A 62 15.259 35.487 11.630 1.00 0.00 C ATOM 964 CD GLU A 62 15.245 37.016 11.838 1.00 0.00 C ATOM 965 OE1 GLU A 62 16.068 37.565 12.618 1.00 0.00 O ATOM 966 OE2 GLU A 62 14.406 37.704 11.199 1.00 0.00 O1- ATOM 0 H GLU A 62 13.579 33.386 12.663 1.00 0.00 H new ATOM 0 HA GLU A 62 16.258 32.952 11.805 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.994 34.970 13.710 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.670 35.034 13.201 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.946 35.242 10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.268 35.158 11.318 1.00 0.00 H new ATOM 973 N GLU A 63 17.433 31.782 13.635 1.00 0.00 N ATOM 974 CA GLU A 63 18.229 31.112 14.666 1.00 0.00 C ATOM 975 C GLU A 63 19.080 32.125 15.466 1.00 0.00 C ATOM 976 O GLU A 63 19.676 33.038 14.887 1.00 0.00 O ATOM 977 CB GLU A 63 19.109 30.026 14.031 1.00 0.00 C ATOM 978 CG GLU A 63 19.383 28.897 15.033 1.00 0.00 C ATOM 979 CD GLU A 63 20.269 27.769 14.464 1.00 0.00 C ATOM 980 OE1 GLU A 63 20.970 27.965 13.442 1.00 0.00 O ATOM 981 OE2 GLU A 63 20.288 26.671 15.068 1.00 0.00 O1- ATOM 0 H GLU A 63 17.803 31.655 12.693 1.00 0.00 H new ATOM 0 HA GLU A 63 17.547 30.636 15.371 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.616 29.623 13.146 1.00 0.00 H new ATOM 0 HB3 GLU A 63 20.052 30.462 13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.865 29.316 15.917 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.433 28.473 15.359 1.00 0.00 H new ATOM 988 N GLN A 64 19.120 31.997 16.794 1.00 0.00 N ATOM 989 CA GLN A 64 19.451 33.122 17.691 1.00 0.00 C ATOM 990 C GLN A 64 20.130 32.742 19.024 1.00 0.00 C ATOM 991 O GLN A 64 20.265 33.590 19.909 1.00 0.00 O ATOM 992 CB GLN A 64 18.161 33.941 17.909 1.00 0.00 C ATOM 993 CG GLN A 64 17.051 33.158 18.623 1.00 0.00 C ATOM 994 CD GLN A 64 15.724 33.911 18.592 1.00 0.00 C ATOM 995 OE1 GLN A 64 15.286 34.509 19.570 1.00 0.00 O ATOM 996 NE2 GLN A 64 15.029 33.944 17.472 1.00 0.00 N ATOM 0 H GLN A 64 18.927 31.122 17.281 1.00 0.00 H new ATOM 0 HA GLN A 64 20.221 33.715 17.198 1.00 0.00 H new ATOM 0 HB2 GLN A 64 18.399 34.831 18.492 1.00 0.00 H new ATOM 0 HB3 GLN A 64 17.790 34.283 16.943 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.929 32.184 18.149 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.342 32.974 19.657 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.371 33.455 16.645 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.149 34.458 17.433 1.00 0.00 H new ATOM 1005 N ASN A 65 20.578 31.490 19.186 1.00 0.00 N ATOM 1006 CA ASN A 65 21.326 31.023 20.381 1.00 0.00 C ATOM 1007 C ASN A 65 22.826 31.426 20.385 1.00 0.00 C ATOM 1008 O ASN A 65 23.568 31.068 21.302 1.00 0.00 O ATOM 1009 CB ASN A 65 21.117 29.501 20.561 1.00 0.00 C ATOM 1010 CG ASN A 65 21.401 28.981 21.964 1.00 0.00 C ATOM 1011 OD1 ASN A 65 21.433 29.708 22.950 1.00 0.00 O ATOM 1012 ND2 ASN A 65 21.607 27.689 22.117 1.00 0.00 N ATOM 0 H ASN A 65 20.435 30.759 18.489 1.00 0.00 H new ATOM 0 HA ASN A 65 20.913 31.541 21.247 1.00 0.00 H new ATOM 0 HB2 ASN A 65 20.088 29.256 20.299 1.00 0.00 H new ATOM 0 HB3 ASN A 65 21.760 28.974 19.856 1.00 0.00 H new ATOM 0 HD21 ASN A 65 21.790 27.308 23.045 1.00 0.00 H new ATOM 0 HD22 ASN A 65 21.584 27.069 21.307 1.00 0.00 H new ATOM 1019 N ARG A 66 23.287 32.177 19.372 1.00 0.00 N ATOM 1020 CA ARG A 66 24.657 32.722 19.262 1.00 0.00 C ATOM 1021 C ARG A 66 24.986 33.740 20.366 1.00 0.00 C ATOM 1022 O ARG A 66 24.162 34.650 20.627 1.00 0.00 O ATOM 1023 CB ARG A 66 24.873 33.349 17.870 1.00 0.00 C ATOM 1024 CG ARG A 66 24.766 32.388 16.670 1.00 0.00 C ATOM 1025 CD ARG A 66 25.657 31.136 16.770 1.00 0.00 C ATOM 1026 NE ARG A 66 27.074 31.475 17.019 1.00 0.00 N ATOM 1027 CZ ARG A 66 27.835 30.985 17.982 1.00 0.00 C ATOM 1028 NH1 ARG A 66 27.439 30.017 18.749 1.00 0.00 N1+ ATOM 1029 NH2 ARG A 66 29.024 31.467 18.196 1.00 0.00 N ATOM 1030 OXT ARG A 66 26.090 33.646 20.948 1.00 0.00 O1- ATOM 0 H ARG A 66 22.699 32.432 18.578 1.00 0.00 H new ATOM 0 HA ARG A 66 25.342 31.884 19.394 1.00 0.00 H new ATOM 0 HB2 ARG A 66 24.143 34.147 17.736 1.00 0.00 H new ATOM 0 HB3 ARG A 66 25.859 33.812 17.852 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.728 32.072 16.566 1.00 0.00 H new ATOM 0 HG3 ARG A 66 25.026 32.931 15.762 1.00 0.00 H new ATOM 0 HD2 ARG A 66 25.292 30.496 17.573 1.00 0.00 H new ATOM 0 HD3 ARG A 66 25.580 30.563 15.846 1.00 0.00 H new ATOM 0 HE ARG A 66 27.505 32.151 16.388 1.00 0.00 H new ATOM 0 HH11 ARG A 66 26.513 29.609 18.619 1.00 0.00 H new ATOM 0 HH12 ARG A 66 28.053 29.664 19.483 1.00 0.00 H new ATOM 0 HH21 ARG A 66 29.377 32.230 17.618 1.00 0.00 H new ATOM 0 HH22 ARG A 66 29.604 31.082 18.942 1.00 0.00 H new TER 1044 ARG A 66 ATOM 1045 N GLY B -3 -12.593 9.172 -1.708 1.00 0.00 N ATOM 1046 CA GLY B -3 -12.993 8.631 -0.393 1.00 0.00 C ATOM 1047 C GLY B -3 -11.961 8.937 0.692 1.00 0.00 C ATOM 1048 O GLY B -3 -11.230 9.924 0.576 1.00 0.00 O ATOM 0 H1 GLY B -3 -13.382 9.712 -2.116 1.00 0.00 H new ATOM 0 H2 GLY B -3 -11.770 9.797 -1.591 1.00 0.00 H new ATOM 0 H3 GLY B -3 -12.345 8.388 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -13.956 9.052 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -13.128 7.552 -0.471 1.00 0.00 H new ATOM 1054 N PRO B -2 -11.892 8.119 1.766 1.00 0.00 N ATOM 1055 CA PRO B -2 -10.955 8.287 2.886 1.00 0.00 C ATOM 1056 C PRO B -2 -9.470 8.163 2.492 1.00 0.00 C ATOM 1057 O PRO B -2 -9.124 7.686 1.407 1.00 0.00 O ATOM 1058 CB PRO B -2 -11.343 7.211 3.912 1.00 0.00 C ATOM 1059 CG PRO B -2 -12.809 6.918 3.594 1.00 0.00 C ATOM 1060 CD PRO B -2 -12.837 7.050 2.073 1.00 0.00 C ATOM 0 HA PRO B -2 -11.038 9.299 3.282 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -10.725 6.319 3.810 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -11.219 7.569 4.934 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -13.107 5.922 3.923 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -13.481 7.627 4.077 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -12.546 6.117 1.591 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -13.838 7.294 1.717 1.00 0.00 H new ATOM 1068 N GLY B -1 -8.578 8.559 3.408 1.00 0.00 N ATOM 1069 CA GLY B -1 -7.118 8.516 3.227 1.00 0.00 C ATOM 1070 C GLY B -1 -6.546 9.760 2.531 1.00 0.00 C ATOM 1071 O GLY B -1 -7.023 10.877 2.743 1.00 0.00 O ATOM 0 H GLY B -1 -8.856 8.927 4.318 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -6.643 8.405 4.202 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -6.859 7.633 2.644 1.00 0.00 H new ATOM 1075 N SER B 0 -5.497 9.568 1.726 1.00 0.00 N ATOM 1076 CA SER B 0 -4.707 10.617 1.040 1.00 0.00 C ATOM 1077 C SER B 0 -4.029 11.648 1.975 1.00 0.00 C ATOM 1078 O SER B 0 -3.663 12.745 1.547 1.00 0.00 O ATOM 1079 CB SER B 0 -5.524 11.297 -0.073 1.00 0.00 C ATOM 1080 OG SER B 0 -6.063 10.348 -0.984 1.00 0.00 O ATOM 0 H SER B 0 -5.151 8.631 1.519 1.00 0.00 H new ATOM 0 HA SER B 0 -3.873 10.085 0.582 1.00 0.00 H new ATOM 0 HB2 SER B 0 -6.334 11.875 0.372 1.00 0.00 H new ATOM 0 HB3 SER B 0 -4.889 12.000 -0.613 1.00 0.00 H new ATOM 0 HG SER B 0 -6.577 10.814 -1.676 1.00 0.00 H new ATOM 1086 N MET B 1 -3.840 11.305 3.251 1.00 0.00 N ATOM 1087 CA MET B 1 -3.077 12.085 4.241 1.00 0.00 C ATOM 1088 C MET B 1 -1.560 11.858 4.101 1.00 0.00 C ATOM 1089 O MET B 1 -1.118 10.829 3.585 1.00 0.00 O ATOM 1090 CB MET B 1 -3.548 11.740 5.665 1.00 0.00 C ATOM 1091 CG MET B 1 -5.030 12.078 5.891 1.00 0.00 C ATOM 1092 SD MET B 1 -5.637 11.747 7.569 1.00 0.00 S ATOM 1093 CE MET B 1 -4.793 13.063 8.497 1.00 0.00 C ATOM 0 H MET B 1 -4.226 10.446 3.642 1.00 0.00 H new ATOM 0 HA MET B 1 -3.266 13.142 4.051 1.00 0.00 H new ATOM 0 HB2 MET B 1 -3.388 10.678 5.850 1.00 0.00 H new ATOM 0 HB3 MET B 1 -2.940 12.284 6.388 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.187 13.133 5.664 1.00 0.00 H new ATOM 0 HG3 MET B 1 -5.631 11.507 5.183 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.170 13.086 9.519 1.00 0.00 H new ATOM 0 HE2 MET B 1 -3.721 12.869 8.510 1.00 0.00 H new ATOM 0 HE3 MET B 1 -4.982 14.024 8.019 1.00 0.00 H new ATOM 1103 N CYS B 2 -0.761 12.811 4.601 1.00 0.00 N ATOM 1104 CA CYS B 2 0.711 12.782 4.561 1.00 0.00 C ATOM 1105 C CYS B 2 1.371 12.828 5.958 1.00 0.00 C ATOM 1106 O CYS B 2 2.494 13.321 6.112 1.00 0.00 O ATOM 1107 CB CYS B 2 1.208 13.886 3.609 1.00 0.00 C ATOM 1108 SG CYS B 2 0.987 13.515 1.849 1.00 0.00 S ATOM 0 H CYS B 2 -1.129 13.646 5.057 1.00 0.00 H new ATOM 0 HA CYS B 2 1.026 11.816 4.167 1.00 0.00 H new ATOM 0 HB2 CYS B 2 0.682 14.812 3.841 1.00 0.00 H new ATOM 0 HB3 CYS B 2 2.266 14.064 3.800 1.00 0.00 H new ATOM 1113 N MET B 3 0.682 12.310 6.985 1.00 0.00 N ATOM 1114 CA MET B 3 1.182 12.224 8.363 1.00 0.00 C ATOM 1115 C MET B 3 2.516 11.448 8.469 1.00 0.00 C ATOM 1116 O MET B 3 2.783 10.533 7.682 1.00 0.00 O ATOM 1117 CB MET B 3 0.087 11.674 9.302 1.00 0.00 C ATOM 1118 CG MET B 3 -0.058 10.149 9.354 1.00 0.00 C ATOM 1119 SD MET B 3 -0.647 9.329 7.847 1.00 0.00 S ATOM 1120 CE MET B 3 -0.429 7.612 8.381 1.00 0.00 C ATOM 0 H MET B 3 -0.259 11.931 6.877 1.00 0.00 H new ATOM 0 HA MET B 3 1.419 13.235 8.694 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.289 12.033 10.311 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.870 12.099 8.998 1.00 0.00 H new ATOM 0 HG2 MET B 3 0.912 9.725 9.614 1.00 0.00 H new ATOM 0 HG3 MET B 3 -0.743 9.901 10.165 1.00 0.00 H new ATOM 0 HE1 MET B 3 -0.740 6.940 7.581 1.00 0.00 H new ATOM 0 HE2 MET B 3 0.620 7.435 8.616 1.00 0.00 H new ATOM 0 HE3 MET B 3 -1.036 7.427 9.267 1.00 0.00 H new ATOM 1130 N ALA B 4 3.348 11.821 9.443 1.00 0.00 N ATOM 1131 CA ALA B 4 4.718 11.316 9.607 1.00 0.00 C ATOM 1132 C ALA B 4 4.912 10.594 10.953 1.00 0.00 C ATOM 1133 O ALA B 4 3.976 10.491 11.751 1.00 0.00 O ATOM 1134 CB ALA B 4 5.675 12.506 9.457 1.00 0.00 C ATOM 0 H ALA B 4 3.084 12.499 10.158 1.00 0.00 H new ATOM 0 HA ALA B 4 4.928 10.568 8.842 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.703 12.163 9.574 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.551 12.951 8.470 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.452 13.251 10.221 1.00 0.00 H new ATOM 1140 N LYS B 5 6.139 10.153 11.240 1.00 0.00 N ATOM 1141 CA LYS B 5 6.601 9.846 12.605 1.00 0.00 C ATOM 1142 C LYS B 5 7.696 10.813 13.067 1.00 0.00 C ATOM 1143 O LYS B 5 8.523 11.239 12.264 1.00 0.00 O ATOM 1144 CB LYS B 5 7.010 8.369 12.758 1.00 0.00 C ATOM 1145 CG LYS B 5 8.266 7.963 11.972 1.00 0.00 C ATOM 1146 CD LYS B 5 8.691 6.540 12.361 1.00 0.00 C ATOM 1147 CE LYS B 5 9.975 6.132 11.631 1.00 0.00 C ATOM 1148 NZ LYS B 5 10.491 4.841 12.146 1.00 0.00 N1+ ATOM 0 H LYS B 5 6.851 9.996 10.527 1.00 0.00 H new ATOM 0 HA LYS B 5 5.753 9.998 13.273 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.177 8.161 13.815 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.179 7.741 12.437 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.067 8.012 10.901 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.076 8.663 12.178 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.848 6.485 13.438 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.892 5.839 12.119 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.779 6.049 10.562 1.00 0.00 H new ATOM 0 HE3 LYS B 5 10.731 6.907 11.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.449 4.677 11.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.522 4.869 13.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.864 4.070 11.839 1.00 0.00 H new ATOM 1162 N VAL B 6 7.715 11.128 14.357 1.00 0.00 N ATOM 1163 CA VAL B 6 8.831 11.816 15.028 1.00 0.00 C ATOM 1164 C VAL B 6 9.736 10.780 15.702 1.00 0.00 C ATOM 1165 O VAL B 6 9.235 9.818 16.288 1.00 0.00 O ATOM 1166 CB VAL B 6 8.314 12.881 16.020 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.400 13.414 16.969 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.756 14.082 15.248 1.00 0.00 C ATOM 0 H VAL B 6 6.942 10.911 14.986 1.00 0.00 H new ATOM 0 HA VAL B 6 9.424 12.353 14.287 1.00 0.00 H new ATOM 0 HB VAL B 6 7.550 12.384 16.617 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.966 14.158 17.637 1.00 0.00 H new ATOM 0 HG12 VAL B 6 9.806 12.591 17.557 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.199 13.872 16.386 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.393 14.830 15.952 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.543 14.516 14.632 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.935 13.755 14.610 1.00 0.00 H new ATOM 1178 N VAL B 7 11.051 10.994 15.668 1.00 0.00 N ATOM 1179 CA VAL B 7 12.049 10.265 16.465 1.00 0.00 C ATOM 1180 C VAL B 7 12.972 11.244 17.204 1.00 0.00 C ATOM 1181 O VAL B 7 13.356 12.281 16.658 1.00 0.00 O ATOM 1182 CB VAL B 7 12.811 9.230 15.613 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.609 9.842 14.453 1.00 0.00 C ATOM 1184 CG2 VAL B 7 13.777 8.382 16.452 1.00 0.00 C ATOM 0 H VAL B 7 11.470 11.703 15.066 1.00 0.00 H new ATOM 0 HA VAL B 7 11.529 9.688 17.230 1.00 0.00 H new ATOM 0 HB VAL B 7 12.020 8.605 15.198 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.116 9.050 13.902 1.00 0.00 H new ATOM 0 HG12 VAL B 7 12.931 10.372 13.784 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.348 10.540 14.848 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.289 7.669 15.807 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.511 9.032 16.929 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.218 7.843 17.217 1.00 0.00 H new ATOM 1194 N LEU B 8 13.310 10.927 18.455 1.00 0.00 N ATOM 1195 CA LEU B 8 14.188 11.727 19.314 1.00 0.00 C ATOM 1196 C LEU B 8 15.063 10.843 20.219 1.00 0.00 C ATOM 1197 O LEU B 8 14.620 9.802 20.705 1.00 0.00 O ATOM 1198 CB LEU B 8 13.349 12.760 20.098 1.00 0.00 C ATOM 1199 CG LEU B 8 12.383 12.177 21.152 1.00 0.00 C ATOM 1200 CD1 LEU B 8 12.989 12.176 22.561 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.095 12.996 21.201 1.00 0.00 C ATOM 0 H LEU B 8 12.971 10.081 18.913 1.00 0.00 H new ATOM 0 HA LEU B 8 14.890 12.280 18.690 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.030 13.449 20.598 1.00 0.00 H new ATOM 0 HB3 LEU B 8 12.769 13.346 19.385 1.00 0.00 H new ATOM 0 HG LEU B 8 12.183 11.149 20.850 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.271 11.757 23.266 1.00 0.00 H new ATOM 0 HD12 LEU B 8 13.897 11.573 22.566 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.230 13.198 22.854 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.423 12.573 21.948 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.329 14.027 21.465 1.00 0.00 H new ATOM 0 HD23 LEU B 8 10.612 12.973 20.224 1.00 0.00 H new ATOM 1213 N THR B 9 16.310 11.259 20.445 1.00 0.00 N ATOM 1214 CA THR B 9 17.303 10.543 21.265 1.00 0.00 C ATOM 1215 C THR B 9 17.351 11.107 22.697 1.00 0.00 C ATOM 1216 O THR B 9 17.392 12.323 22.900 1.00 0.00 O ATOM 1217 CB THR B 9 18.685 10.560 20.593 1.00 0.00 C ATOM 1218 OG1 THR B 9 18.579 9.936 19.323 1.00 0.00 O ATOM 1219 CG2 THR B 9 19.763 9.788 21.357 1.00 0.00 C ATOM 0 H THR B 9 16.673 12.128 20.054 1.00 0.00 H new ATOM 0 HA THR B 9 16.993 9.501 21.342 1.00 0.00 H new ATOM 0 HB THR B 9 18.981 11.608 20.547 1.00 0.00 H new ATOM 0 HG1 THR B 9 19.454 9.941 18.882 1.00 0.00 H new ATOM 0 HG21 THR B 9 20.707 9.850 20.816 1.00 0.00 H new ATOM 0 HG22 THR B 9 19.885 10.220 22.350 1.00 0.00 H new ATOM 0 HG23 THR B 9 19.466 8.743 21.450 1.00 0.00 H new ATOM 1227 N LYS B 10 17.330 10.213 23.690 1.00 0.00 N ATOM 1228 CA LYS B 10 17.355 10.501 25.133 1.00 0.00 C ATOM 1229 C LYS B 10 18.745 10.901 25.643 1.00 0.00 C ATOM 1230 O LYS B 10 19.768 10.596 25.021 1.00 0.00 O ATOM 1231 CB LYS B 10 16.875 9.252 25.895 1.00 0.00 C ATOM 1232 CG LYS B 10 15.389 8.938 25.692 1.00 0.00 C ATOM 1233 CD LYS B 10 14.984 7.609 26.358 1.00 0.00 C ATOM 1234 CE LYS B 10 15.124 7.581 27.885 1.00 0.00 C ATOM 1235 NZ LYS B 10 14.155 8.479 28.574 1.00 0.00 N1+ ATOM 0 H LYS B 10 17.293 9.211 23.501 1.00 0.00 H new ATOM 0 HA LYS B 10 16.696 11.352 25.308 1.00 0.00 H new ATOM 0 HB2 LYS B 10 17.465 8.393 25.575 1.00 0.00 H new ATOM 0 HB3 LYS B 10 17.065 9.391 26.959 1.00 0.00 H new ATOM 0 HG2 LYS B 10 14.788 9.748 26.104 1.00 0.00 H new ATOM 0 HG3 LYS B 10 15.171 8.890 24.625 1.00 0.00 H new ATOM 0 HD2 LYS B 10 13.948 7.391 26.099 1.00 0.00 H new ATOM 0 HD3 LYS B 10 15.593 6.809 25.937 1.00 0.00 H new ATOM 0 HE2 LYS B 10 14.980 6.560 28.239 1.00 0.00 H new ATOM 0 HE3 LYS B 10 16.138 7.873 28.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 14.296 8.419 29.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 14.307 9.459 28.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 13.185 8.187 28.340 1.00 0.00 H new ATOM 1249 N ALA B 11 18.784 11.499 26.835 1.00 0.00 N ATOM 1250 CA ALA B 11 20.014 11.872 27.540 1.00 0.00 C ATOM 1251 C ALA B 11 20.871 10.654 27.955 1.00 0.00 C ATOM 1252 O ALA B 11 22.090 10.775 28.087 1.00 0.00 O ATOM 1253 CB ALA B 11 19.623 12.715 28.761 1.00 0.00 C ATOM 0 H ALA B 11 17.939 11.744 27.351 1.00 0.00 H new ATOM 0 HA ALA B 11 20.643 12.447 26.860 1.00 0.00 H new ATOM 0 HB1 ALA B 11 20.522 13.007 29.305 1.00 0.00 H new ATOM 0 HB2 ALA B 11 19.092 13.608 28.432 1.00 0.00 H new ATOM 0 HB3 ALA B 11 18.977 12.130 29.415 1.00 0.00 H new ATOM 1259 N ASP B 12 20.263 9.472 28.133 1.00 0.00 N ATOM 1260 CA ASP B 12 20.951 8.221 28.445 1.00 0.00 C ATOM 1261 C ASP B 12 21.418 7.437 27.192 1.00 0.00 C ATOM 1262 O ASP B 12 21.957 6.332 27.311 1.00 0.00 O ATOM 1263 CB ASP B 12 20.040 7.384 29.362 1.00 0.00 C ATOM 1264 CG ASP B 12 18.747 6.840 28.729 1.00 0.00 C ATOM 1265 OD1 ASP B 12 17.970 6.175 29.456 1.00 0.00 O ATOM 1266 OD2 ASP B 12 18.490 7.086 27.530 1.00 0.00 O1- ATOM 0 H ASP B 12 19.252 9.362 28.061 1.00 0.00 H new ATOM 0 HA ASP B 12 21.879 8.457 28.965 1.00 0.00 H new ATOM 0 HB2 ASP B 12 20.617 6.540 29.739 1.00 0.00 H new ATOM 0 HB3 ASP B 12 19.768 7.994 30.223 1.00 0.00 H new ATOM 1271 N GLY B 13 21.215 7.991 25.990 1.00 0.00 N ATOM 1272 CA GLY B 13 21.536 7.371 24.698 1.00 0.00 C ATOM 1273 C GLY B 13 20.450 6.440 24.133 1.00 0.00 C ATOM 1274 O GLY B 13 20.644 5.852 23.062 1.00 0.00 O ATOM 0 H GLY B 13 20.807 8.920 25.887 1.00 0.00 H new ATOM 0 HA2 GLY B 13 21.729 8.161 23.972 1.00 0.00 H new ATOM 0 HA3 GLY B 13 22.460 6.803 24.805 1.00 0.00 H new ATOM 1278 N GLY B 14 19.306 6.302 24.818 1.00 0.00 N ATOM 1279 CA GLY B 14 18.119 5.602 24.311 1.00 0.00 C ATOM 1280 C GLY B 14 17.355 6.410 23.243 1.00 0.00 C ATOM 1281 O GLY B 14 17.744 7.527 22.898 1.00 0.00 O ATOM 0 H GLY B 14 19.178 6.681 25.756 1.00 0.00 H new ATOM 0 HA2 GLY B 14 18.422 4.645 23.887 1.00 0.00 H new ATOM 0 HA3 GLY B 14 17.449 5.385 25.143 1.00 0.00 H new ATOM 1285 N ARG B 15 16.237 5.878 22.741 1.00 0.00 N ATOM 1286 CA ARG B 15 15.398 6.531 21.721 1.00 0.00 C ATOM 1287 C ARG B 15 13.898 6.397 21.984 1.00 0.00 C ATOM 1288 O ARG B 15 13.443 5.411 22.570 1.00 0.00 O ATOM 1289 CB ARG B 15 15.789 6.007 20.323 1.00 0.00 C ATOM 1290 CG ARG B 15 16.311 7.162 19.455 1.00 0.00 C ATOM 1291 CD ARG B 15 16.837 6.704 18.090 1.00 0.00 C ATOM 1292 NE ARG B 15 17.981 5.778 18.197 1.00 0.00 N ATOM 1293 CZ ARG B 15 19.238 6.063 18.496 1.00 0.00 C ATOM 1294 NH1 ARG B 15 19.652 7.269 18.792 1.00 0.00 N1+ ATOM 1295 NH2 ARG B 15 20.129 5.113 18.505 1.00 0.00 N ATOM 0 H ARG B 15 15.880 4.968 23.033 1.00 0.00 H new ATOM 0 HA ARG B 15 15.593 7.602 21.772 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.554 5.236 20.416 1.00 0.00 H new ATOM 0 HB3 ARG B 15 14.926 5.543 19.845 1.00 0.00 H new ATOM 0 HG2 ARG B 15 15.509 7.885 19.304 1.00 0.00 H new ATOM 0 HG3 ARG B 15 17.109 7.678 19.990 1.00 0.00 H new ATOM 0 HD2 ARG B 15 16.032 6.217 17.541 1.00 0.00 H new ATOM 0 HD3 ARG B 15 17.136 7.577 17.510 1.00 0.00 H new ATOM 0 HE ARG B 15 17.777 4.795 18.018 1.00 0.00 H new ATOM 0 HH11 ARG B 15 18.992 8.047 18.800 1.00 0.00 H new ATOM 0 HH12 ARG B 15 20.634 7.431 19.015 1.00 0.00 H new ATOM 0 HH21 ARG B 15 19.856 4.156 18.282 1.00 0.00 H new ATOM 0 HH22 ARG B 15 21.100 5.326 18.735 1.00 0.00 H new ATOM 1309 N VAL B 16 13.147 7.394 21.520 1.00 0.00 N ATOM 1310 CA VAL B 16 11.676 7.483 21.591 1.00 0.00 C ATOM 1311 C VAL B 16 11.115 7.821 20.206 1.00 0.00 C ATOM 1312 O VAL B 16 11.665 8.669 19.499 1.00 0.00 O ATOM 1313 CB VAL B 16 11.236 8.524 22.649 1.00 0.00 C ATOM 1314 CG1 VAL B 16 9.716 8.743 22.686 1.00 0.00 C ATOM 1315 CG2 VAL B 16 11.689 8.109 24.054 1.00 0.00 C ATOM 0 H VAL B 16 13.561 8.205 21.060 1.00 0.00 H new ATOM 0 HA VAL B 16 11.275 6.519 21.902 1.00 0.00 H new ATOM 0 HB VAL B 16 11.714 9.457 22.350 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.474 9.484 23.448 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.376 9.098 21.713 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.219 7.803 22.923 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.366 8.859 24.777 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.248 7.146 24.309 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.776 8.028 24.077 1.00 0.00 H new ATOM 1325 N GLU B 17 10.018 7.165 19.824 1.00 0.00 N ATOM 1326 CA GLU B 17 9.272 7.406 18.580 1.00 0.00 C ATOM 1327 C GLU B 17 7.793 7.741 18.846 1.00 0.00 C ATOM 1328 O GLU B 17 7.181 7.198 19.767 1.00 0.00 O ATOM 1329 CB GLU B 17 9.379 6.194 17.633 1.00 0.00 C ATOM 1330 CG GLU B 17 10.791 5.984 17.075 1.00 0.00 C ATOM 1331 CD GLU B 17 10.824 4.806 16.085 1.00 0.00 C ATOM 1332 OE1 GLU B 17 10.609 3.643 16.508 1.00 0.00 O ATOM 1333 OE2 GLU B 17 11.059 5.035 14.872 1.00 0.00 O1- ATOM 0 H GLU B 17 9.607 6.423 20.391 1.00 0.00 H new ATOM 0 HA GLU B 17 9.727 8.273 18.101 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.070 5.296 18.167 1.00 0.00 H new ATOM 0 HB3 GLU B 17 8.684 6.327 16.804 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.127 6.893 16.576 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.485 5.795 17.894 1.00 0.00 H new ATOM 1340 N ILE B 18 7.208 8.598 18.002 1.00 0.00 N ATOM 1341 CA ILE B 18 5.783 8.969 18.016 1.00 0.00 C ATOM 1342 C ILE B 18 5.229 8.822 16.591 1.00 0.00 C ATOM 1343 O ILE B 18 5.728 9.474 15.674 1.00 0.00 O ATOM 1344 CB ILE B 18 5.570 10.413 18.543 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.164 10.623 19.953 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.069 10.777 18.545 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.328 12.101 20.322 1.00 0.00 C ATOM 0 H ILE B 18 7.729 9.070 17.263 1.00 0.00 H new ATOM 0 HA ILE B 18 5.248 8.306 18.696 1.00 0.00 H new ATOM 0 HB ILE B 18 6.104 11.076 17.862 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.519 10.141 20.688 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.135 10.131 20.009 1.00 0.00 H new ATOM 0 HG21 ILE B 18 3.942 11.793 18.918 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.677 10.711 17.530 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.527 10.084 19.189 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.750 12.181 21.324 1.00 0.00 H new ATOM 0 HD12 ILE B 18 6.996 12.582 19.608 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.355 12.592 20.297 1.00 0.00 H new ATOM 1359 N GLY B 19 4.214 7.975 16.400 1.00 0.00 N ATOM 1360 CA GLY B 19 3.588 7.719 15.093 1.00 0.00 C ATOM 1361 C GLY B 19 2.394 8.631 14.773 1.00 0.00 C ATOM 1362 O GLY B 19 1.830 9.281 15.661 1.00 0.00 O ATOM 0 H GLY B 19 3.795 7.438 17.159 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.340 7.839 14.314 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.256 6.681 15.059 1.00 0.00 H new ATOM 1366 N ASP B 20 1.978 8.651 13.504 1.00 0.00 N ATOM 1367 CA ASP B 20 0.790 9.357 12.994 1.00 0.00 C ATOM 1368 C ASP B 20 0.719 10.849 13.383 1.00 0.00 C ATOM 1369 O ASP B 20 -0.321 11.368 13.792 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.497 8.564 13.315 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.452 7.086 12.873 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -1.137 6.250 13.504 1.00 0.00 O ATOM 1373 OD2 ASP B 20 0.239 6.751 11.877 1.00 0.00 O1- ATOM 0 H ASP B 20 2.480 8.155 12.768 1.00 0.00 H new ATOM 0 HA ASP B 20 0.887 9.392 11.909 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.678 8.606 14.389 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.342 9.052 12.830 1.00 0.00 H new ATOM 1378 N VAL B 21 1.858 11.540 13.297 1.00 0.00 N ATOM 1379 CA VAL B 21 2.038 12.962 13.633 1.00 0.00 C ATOM 1380 C VAL B 21 1.468 13.860 12.529 1.00 0.00 C ATOM 1381 O VAL B 21 1.880 13.768 11.369 1.00 0.00 O ATOM 1382 CB VAL B 21 3.529 13.269 13.883 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.796 14.758 14.133 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.023 12.491 15.108 1.00 0.00 C ATOM 0 H VAL B 21 2.724 11.106 12.976 1.00 0.00 H new ATOM 0 HA VAL B 21 1.487 13.173 14.550 1.00 0.00 H new ATOM 0 HB VAL B 21 4.060 12.970 12.979 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.862 14.913 14.302 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.479 15.335 13.265 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.238 15.086 15.010 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.077 12.712 15.279 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.444 12.785 15.983 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.900 11.422 14.934 1.00 0.00 H new ATOM 1394 N LEU B 22 0.534 14.746 12.891 1.00 0.00 N ATOM 1395 CA LEU B 22 -0.094 15.727 11.999 1.00 0.00 C ATOM 1396 C LEU B 22 0.711 17.030 11.891 1.00 0.00 C ATOM 1397 O LEU B 22 0.703 17.670 10.835 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.507 16.052 12.519 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.497 14.873 12.563 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.835 15.377 13.111 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.740 14.254 11.185 1.00 0.00 C ATOM 0 H LEU B 22 0.182 14.802 13.847 1.00 0.00 H new ATOM 0 HA LEU B 22 -0.134 15.283 11.004 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.417 16.463 13.525 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.933 16.835 11.891 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.062 14.103 13.200 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.547 14.552 13.148 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.690 15.776 14.115 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.222 16.162 12.461 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.445 13.428 11.276 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -3.150 15.009 10.514 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.798 13.883 10.781 1.00 0.00 H new ATOM 1413 N GLU B 23 1.382 17.439 12.970 1.00 0.00 N ATOM 1414 CA GLU B 23 2.120 18.704 13.052 1.00 0.00 C ATOM 1415 C GLU B 23 3.132 18.744 14.219 1.00 0.00 C ATOM 1416 O GLU B 23 2.924 18.126 15.272 1.00 0.00 O ATOM 1417 CB GLU B 23 1.140 19.895 13.123 1.00 0.00 C ATOM 1418 CG GLU B 23 0.154 19.878 14.303 1.00 0.00 C ATOM 1419 CD GLU B 23 -1.049 20.801 14.034 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.135 21.899 14.641 1.00 0.00 O ATOM 1421 OE2 GLU B 23 -1.927 20.437 13.216 1.00 0.00 O1- ATOM 0 H GLU B 23 1.429 16.890 13.829 1.00 0.00 H new ATOM 0 HA GLU B 23 2.711 18.784 12.140 1.00 0.00 H new ATOM 0 HB2 GLU B 23 1.720 20.817 13.171 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.568 19.927 12.196 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -0.196 18.860 14.474 1.00 0.00 H new ATOM 0 HG3 GLU B 23 0.664 20.196 15.212 1.00 0.00 H new ATOM 1428 N VAL B 24 4.225 19.493 14.022 1.00 0.00 N ATOM 1429 CA VAL B 24 5.349 19.686 14.961 1.00 0.00 C ATOM 1430 C VAL B 24 5.688 21.174 15.085 1.00 0.00 C ATOM 1431 O VAL B 24 5.764 21.875 14.069 1.00 0.00 O ATOM 1432 CB VAL B 24 6.586 18.878 14.510 1.00 0.00 C ATOM 1433 CG1 VAL B 24 7.768 18.998 15.482 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.277 17.385 14.358 1.00 0.00 C ATOM 0 H VAL B 24 4.361 20.012 13.155 1.00 0.00 H new ATOM 0 HA VAL B 24 5.046 19.318 15.941 1.00 0.00 H new ATOM 0 HB VAL B 24 6.857 19.313 13.548 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.606 18.408 15.110 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.067 20.043 15.564 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.471 18.628 16.463 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.176 16.858 14.040 1.00 0.00 H new ATOM 0 HG22 VAL B 24 5.941 16.984 15.314 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.494 17.250 13.612 1.00 0.00 H new ATOM 1444 N ARG B 25 5.875 21.683 16.312 1.00 0.00 N ATOM 1445 CA ARG B 25 6.226 23.087 16.627 1.00 0.00 C ATOM 1446 C ARG B 25 7.603 23.165 17.304 1.00 0.00 C ATOM 1447 O ARG B 25 7.861 22.395 18.230 1.00 0.00 O ATOM 1448 CB ARG B 25 5.197 23.751 17.581 1.00 0.00 C ATOM 1449 CG ARG B 25 3.693 23.488 17.392 1.00 0.00 C ATOM 1450 CD ARG B 25 3.055 24.187 16.188 1.00 0.00 C ATOM 1451 NE ARG B 25 3.520 23.597 14.928 1.00 0.00 N ATOM 1452 CZ ARG B 25 2.836 23.411 13.822 1.00 0.00 C ATOM 1453 NH1 ARG B 25 1.596 23.757 13.648 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 3.409 22.842 12.816 1.00 0.00 N ATOM 0 H ARG B 25 5.783 21.109 17.150 1.00 0.00 H new ATOM 0 HA ARG B 25 6.230 23.618 15.675 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.454 23.449 18.596 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.348 24.829 17.521 1.00 0.00 H new ATOM 0 HG2 ARG B 25 3.538 22.414 17.292 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.169 23.803 18.294 1.00 0.00 H new ATOM 0 HD2 ARG B 25 1.970 24.109 16.251 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.300 25.249 16.208 1.00 0.00 H new ATOM 0 HE ARG B 25 4.494 23.294 14.908 1.00 0.00 H new ATOM 0 HH11 ARG B 25 1.082 24.209 14.404 1.00 0.00 H new ATOM 0 HH12 ARG B 25 1.137 23.576 12.755 1.00 0.00 H new ATOM 0 HH21 ARG B 25 4.382 22.543 12.885 1.00 0.00 H new ATOM 0 HH22 ARG B 25 2.889 22.691 11.951 1.00 0.00 H new ATOM 1468 N ALA B 26 8.435 24.134 16.932 1.00 0.00 N ATOM 1469 CA ALA B 26 9.584 24.564 17.733 1.00 0.00 C ATOM 1470 C ALA B 26 9.222 25.808 18.569 1.00 0.00 C ATOM 1471 O ALA B 26 8.788 26.835 18.042 1.00 0.00 O ATOM 1472 CB ALA B 26 10.786 24.809 16.812 1.00 0.00 C ATOM 0 H ALA B 26 8.332 24.650 16.058 1.00 0.00 H new ATOM 0 HA ALA B 26 9.858 23.779 18.438 1.00 0.00 H new ATOM 0 HB1 ALA B 26 11.641 25.129 17.407 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.035 23.888 16.285 1.00 0.00 H new ATOM 0 HB3 ALA B 26 10.537 25.585 16.088 1.00 0.00 H new ATOM 1478 N GLU B 27 9.405 25.713 19.883 1.00 0.00 N ATOM 1479 CA GLU B 27 9.339 26.826 20.840 1.00 0.00 C ATOM 1480 C GLU B 27 10.717 27.498 21.019 1.00 0.00 C ATOM 1481 O GLU B 27 11.719 27.060 20.445 1.00 0.00 O ATOM 1482 CB GLU B 27 8.809 26.290 22.188 1.00 0.00 C ATOM 1483 CG GLU B 27 7.370 25.743 22.144 1.00 0.00 C ATOM 1484 CD GLU B 27 6.289 26.809 21.858 1.00 0.00 C ATOM 1485 OE1 GLU B 27 5.149 26.416 21.508 1.00 0.00 O ATOM 1486 OE2 GLU B 27 6.545 28.026 22.006 1.00 0.00 O1- ATOM 0 H GLU B 27 9.613 24.822 20.335 1.00 0.00 H new ATOM 0 HA GLU B 27 8.662 27.588 20.455 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.473 25.498 22.535 1.00 0.00 H new ATOM 0 HB3 GLU B 27 8.856 27.091 22.925 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.312 24.970 21.378 1.00 0.00 H new ATOM 0 HG3 GLU B 27 7.147 25.264 23.098 1.00 0.00 H new ATOM 1493 N GLY B 28 10.806 28.543 21.852 1.00 0.00 N ATOM 1494 CA GLY B 28 12.057 29.250 22.174 1.00 0.00 C ATOM 1495 C GLY B 28 13.126 28.410 22.903 1.00 0.00 C ATOM 1496 O GLY B 28 14.286 28.829 22.974 1.00 0.00 O ATOM 0 H GLY B 28 9.994 28.931 22.332 1.00 0.00 H new ATOM 0 HA2 GLY B 28 12.488 29.630 21.248 1.00 0.00 H new ATOM 0 HA3 GLY B 28 11.816 30.115 22.792 1.00 0.00 H new ATOM 1500 N GLY B 29 12.764 27.230 23.423 1.00 0.00 N ATOM 1501 CA GLY B 29 13.672 26.281 24.084 1.00 0.00 C ATOM 1502 C GLY B 29 13.147 24.840 24.183 1.00 0.00 C ATOM 1503 O GLY B 29 13.545 24.118 25.098 1.00 0.00 O ATOM 0 H GLY B 29 11.800 26.898 23.395 1.00 0.00 H new ATOM 0 HA2 GLY B 29 14.618 26.270 23.543 1.00 0.00 H new ATOM 0 HA3 GLY B 29 13.884 26.644 25.090 1.00 0.00 H new ATOM 1507 N ALA B 30 12.236 24.422 23.295 1.00 0.00 N ATOM 1508 CA ALA B 30 11.582 23.108 23.316 1.00 0.00 C ATOM 1509 C ALA B 30 10.995 22.723 21.940 1.00 0.00 C ATOM 1510 O ALA B 30 10.868 23.573 21.053 1.00 0.00 O ATOM 1511 CB ALA B 30 10.469 23.130 24.383 1.00 0.00 C ATOM 0 H ALA B 30 11.925 25.006 22.519 1.00 0.00 H new ATOM 0 HA ALA B 30 12.331 22.354 23.559 1.00 0.00 H new ATOM 0 HB1 ALA B 30 9.973 22.160 24.411 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.905 23.343 25.359 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.741 23.903 24.134 1.00 0.00 H new ATOM 1517 N VAL B 31 10.575 21.465 21.788 1.00 0.00 N ATOM 1518 CA VAL B 31 9.747 20.986 20.653 1.00 0.00 C ATOM 1519 C VAL B 31 8.424 20.389 21.152 1.00 0.00 C ATOM 1520 O VAL B 31 8.393 19.753 22.207 1.00 0.00 O ATOM 1521 CB VAL B 31 10.522 19.995 19.755 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.656 19.356 18.665 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.680 20.702 19.043 1.00 0.00 C ATOM 0 H VAL B 31 10.799 20.728 22.457 1.00 0.00 H new ATOM 0 HA VAL B 31 9.506 21.849 20.032 1.00 0.00 H new ATOM 0 HB VAL B 31 10.875 19.216 20.431 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.263 18.672 18.072 1.00 0.00 H new ATOM 0 HG12 VAL B 31 8.836 18.806 19.127 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.251 20.135 18.019 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.213 19.987 18.416 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.288 21.507 18.422 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.364 21.115 19.784 1.00 0.00 H new ATOM 1533 N ARG B 32 7.337 20.583 20.391 1.00 0.00 N ATOM 1534 CA ARG B 32 5.989 20.029 20.624 1.00 0.00 C ATOM 1535 C ARG B 32 5.523 19.195 19.423 1.00 0.00 C ATOM 1536 O ARG B 32 5.825 19.546 18.282 1.00 0.00 O ATOM 1537 CB ARG B 32 4.993 21.165 20.902 1.00 0.00 C ATOM 1538 CG ARG B 32 5.287 21.967 22.180 1.00 0.00 C ATOM 1539 CD ARG B 32 4.557 23.317 22.188 1.00 0.00 C ATOM 1540 NE ARG B 32 3.092 23.175 22.151 1.00 0.00 N ATOM 1541 CZ ARG B 32 2.211 24.129 21.913 1.00 0.00 C ATOM 1542 NH1 ARG B 32 2.550 25.366 21.659 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 0.950 23.822 21.925 1.00 0.00 N ATOM 0 H ARG B 32 7.373 21.161 19.551 1.00 0.00 H new ATOM 0 HA ARG B 32 6.033 19.374 21.494 1.00 0.00 H new ATOM 0 HB2 ARG B 32 4.991 21.847 20.052 1.00 0.00 H new ATOM 0 HB3 ARG B 32 3.990 20.744 20.974 1.00 0.00 H new ATOM 0 HG2 ARG B 32 4.985 21.386 23.051 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.361 22.134 22.265 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.841 23.873 23.082 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.882 23.905 21.330 1.00 0.00 H new ATOM 0 HE ARG B 32 2.719 22.242 22.328 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.535 25.631 21.638 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.830 26.066 21.482 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.660 22.863 22.115 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.249 24.540 21.744 1.00 0.00 H new ATOM 1557 N VAL B 33 4.764 18.129 19.670 1.00 0.00 N ATOM 1558 CA VAL B 33 4.330 17.129 18.672 1.00 0.00 C ATOM 1559 C VAL B 33 2.852 16.779 18.880 1.00 0.00 C ATOM 1560 O VAL B 33 2.472 16.465 20.008 1.00 0.00 O ATOM 1561 CB VAL B 33 5.191 15.847 18.784 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.804 14.797 17.741 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.692 16.124 18.634 1.00 0.00 C ATOM 0 H VAL B 33 4.416 17.922 20.606 1.00 0.00 H new ATOM 0 HA VAL B 33 4.459 17.556 17.678 1.00 0.00 H new ATOM 0 HB VAL B 33 4.991 15.468 19.786 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.435 13.916 17.860 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.760 14.516 17.878 1.00 0.00 H new ATOM 0 HG13 VAL B 33 4.941 15.210 16.741 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.245 15.189 18.721 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.884 16.569 17.658 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.015 16.811 19.416 1.00 0.00 H new ATOM 1573 N THR B 34 2.035 16.794 17.819 1.00 0.00 N ATOM 1574 CA THR B 34 0.580 16.508 17.882 1.00 0.00 C ATOM 1575 C THR B 34 0.176 15.358 16.944 1.00 0.00 C ATOM 1576 O THR B 34 0.548 15.354 15.765 1.00 0.00 O ATOM 1577 CB THR B 34 -0.244 17.774 17.592 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.052 18.769 18.551 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.756 17.539 17.661 1.00 0.00 C ATOM 0 H THR B 34 2.362 17.007 16.877 1.00 0.00 H new ATOM 0 HA THR B 34 0.360 16.184 18.899 1.00 0.00 H new ATOM 0 HB THR B 34 0.025 18.076 16.580 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.474 19.574 18.361 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.279 18.471 17.447 1.00 0.00 H new ATOM 0 HG22 THR B 34 -2.041 16.786 16.927 1.00 0.00 H new ATOM 0 HG23 THR B 34 -2.025 17.193 18.659 1.00 0.00 H new ATOM 1587 N THR B 35 -0.608 14.397 17.445 1.00 0.00 N ATOM 1588 CA THR B 35 -0.973 13.156 16.733 1.00 0.00 C ATOM 1589 C THR B 35 -2.379 13.180 16.108 1.00 0.00 C ATOM 1590 O THR B 35 -3.234 14.006 16.447 1.00 0.00 O ATOM 1591 CB THR B 35 -0.857 11.916 17.642 1.00 0.00 C ATOM 1592 OG1 THR B 35 -1.941 11.847 18.541 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.438 11.875 18.454 1.00 0.00 C ATOM 0 H THR B 35 -1.018 14.457 18.377 1.00 0.00 H new ATOM 0 HA THR B 35 -0.250 13.093 15.919 1.00 0.00 H new ATOM 0 HB THR B 35 -0.860 11.063 16.964 1.00 0.00 H new ATOM 0 HG1 THR B 35 -1.847 11.052 19.106 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.452 10.976 19.071 1.00 0.00 H new ATOM 0 HG22 THR B 35 1.292 11.864 17.777 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.494 12.755 19.094 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.636 12.204 15.228 1.00 0.00 N ATOM 1602 CA LEU B 36 -3.934 11.866 14.627 1.00 0.00 C ATOM 1603 C LEU B 36 -5.056 11.618 15.657 1.00 0.00 C ATOM 1604 O LEU B 36 -6.231 11.828 15.351 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.675 10.622 13.747 1.00 0.00 C ATOM 1606 CG LEU B 36 -4.896 9.978 13.067 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.613 10.929 12.108 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -4.433 8.769 12.251 1.00 0.00 C ATOM 0 H LEU B 36 -1.894 11.588 14.894 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.305 12.710 14.045 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -2.962 10.900 12.970 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.193 9.864 14.365 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.589 9.701 13.861 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.465 10.419 11.659 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.962 11.804 12.656 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.924 11.243 11.324 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.293 8.307 11.766 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.719 9.093 11.493 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.957 8.045 12.912 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.706 11.205 16.879 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.646 10.848 17.953 1.00 0.00 C ATOM 1622 C PHE B 37 -5.773 11.937 19.036 1.00 0.00 C ATOM 1623 O PHE B 37 -6.194 11.662 20.162 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.287 9.448 18.485 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.251 8.405 17.376 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -6.454 7.949 16.805 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -4.016 7.968 16.852 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -6.427 7.072 15.707 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -3.993 7.096 15.752 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.199 6.654 15.174 1.00 0.00 C ATOM 0 H PHE B 37 -3.730 11.106 17.160 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.656 10.797 17.546 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.315 9.486 18.978 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.015 9.150 19.239 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -7.400 8.274 17.212 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -3.090 8.304 17.296 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -7.352 6.720 15.274 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -3.048 6.763 15.348 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.178 5.993 14.320 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.424 13.181 18.681 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.520 14.393 19.513 1.00 0.00 C ATOM 1642 C ASP B 38 -4.684 14.361 20.814 1.00 0.00 C ATOM 1643 O ASP B 38 -4.977 15.072 21.782 1.00 0.00 O ATOM 1644 CB ASP B 38 -7.002 14.774 19.724 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.224 16.230 20.177 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -8.263 16.497 20.831 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -6.424 17.131 19.828 1.00 0.00 O1- ATOM 0 H ASP B 38 -5.046 13.382 17.755 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.042 15.199 18.955 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.544 14.609 18.793 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -7.435 14.105 20.467 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.630 13.542 20.857 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.592 13.605 21.890 1.00 0.00 C ATOM 1654 C GLU B 39 -1.541 14.676 21.539 1.00 0.00 C ATOM 1655 O GLU B 39 -1.227 14.905 20.367 1.00 0.00 O ATOM 1656 CB GLU B 39 -1.909 12.241 22.093 1.00 0.00 C ATOM 1657 CG GLU B 39 -2.854 11.113 22.534 1.00 0.00 C ATOM 1658 CD GLU B 39 -3.565 11.381 23.876 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -3.006 12.078 24.759 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -4.685 10.847 24.080 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.471 12.808 20.167 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.080 13.879 22.825 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.426 11.949 21.161 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.122 12.351 22.839 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.606 10.959 21.760 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.285 10.187 22.614 1.00 0.00 H new ATOM 1667 N GLU B 40 -0.963 15.301 22.571 1.00 0.00 N ATOM 1668 CA GLU B 40 0.143 16.252 22.450 1.00 0.00 C ATOM 1669 C GLU B 40 1.300 15.882 23.388 1.00 0.00 C ATOM 1670 O GLU B 40 1.087 15.565 24.565 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.348 17.689 22.683 1.00 0.00 C ATOM 1672 CG GLU B 40 0.769 18.734 22.499 1.00 0.00 C ATOM 1673 CD GLU B 40 0.291 20.195 22.590 1.00 0.00 C ATOM 1674 OE1 GLU B 40 1.139 21.105 22.409 1.00 0.00 O ATOM 1675 OE2 GLU B 40 -0.901 20.469 22.866 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.260 15.155 23.536 1.00 0.00 H new ATOM 0 HA GLU B 40 0.530 16.198 21.432 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -1.162 17.907 21.992 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.755 17.771 23.691 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.535 18.567 23.256 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.240 18.578 21.529 1.00 0.00 H new ATOM 1682 N HIS B 41 2.525 15.962 22.869 1.00 0.00 N ATOM 1683 CA HIS B 41 3.779 15.670 23.573 1.00 0.00 C ATOM 1684 C HIS B 41 4.706 16.889 23.499 1.00 0.00 C ATOM 1685 O HIS B 41 4.712 17.607 22.496 1.00 0.00 O ATOM 1686 CB HIS B 41 4.441 14.431 22.941 1.00 0.00 C ATOM 1687 CG HIS B 41 3.516 13.254 22.731 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.200 12.278 23.682 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.837 12.982 21.577 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.340 11.441 23.072 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.099 11.846 21.812 1.00 0.00 N ATOM 0 H HIS B 41 2.680 16.245 21.901 1.00 0.00 H new ATOM 0 HA HIS B 41 3.578 15.458 24.623 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.868 14.716 21.979 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.269 14.115 23.576 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.873 13.549 20.659 1.00 0.00 H new ATOM 0 HE1 HIS B 41 1.904 10.566 23.531 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.476 11.389 21.146 1.00 0.00 H new ATOM 1699 N ALA B 42 5.504 17.124 24.547 1.00 0.00 N ATOM 1700 CA ALA B 42 6.443 18.249 24.624 1.00 0.00 C ATOM 1701 C ALA B 42 7.789 17.854 25.249 1.00 0.00 C ATOM 1702 O ALA B 42 7.830 17.095 26.225 1.00 0.00 O ATOM 1703 CB ALA B 42 5.781 19.408 25.378 1.00 0.00 C ATOM 0 H ALA B 42 5.516 16.530 25.376 1.00 0.00 H new ATOM 0 HA ALA B 42 6.677 18.570 23.609 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.475 20.247 25.438 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.880 19.719 24.849 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.516 19.083 26.384 1.00 0.00 H new ATOM 1709 N PHE B 43 8.884 18.392 24.701 1.00 0.00 N ATOM 1710 CA PHE B 43 10.263 17.984 24.996 1.00 0.00 C ATOM 1711 C PHE B 43 11.208 19.202 25.098 1.00 0.00 C ATOM 1712 O PHE B 43 11.503 19.825 24.070 1.00 0.00 O ATOM 1713 CB PHE B 43 10.735 17.014 23.900 1.00 0.00 C ATOM 1714 CG PHE B 43 9.862 15.780 23.741 1.00 0.00 C ATOM 1715 CD1 PHE B 43 9.994 14.707 24.638 1.00 0.00 C ATOM 1716 CD2 PHE B 43 8.886 15.731 22.725 1.00 0.00 C ATOM 1717 CE1 PHE B 43 9.152 13.585 24.522 1.00 0.00 C ATOM 1718 CE2 PHE B 43 8.053 14.605 22.609 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.178 13.537 23.512 1.00 0.00 C ATOM 0 H PHE B 43 8.834 19.148 24.018 1.00 0.00 H new ATOM 0 HA PHE B 43 10.287 17.486 25.965 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.769 17.546 22.949 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.754 16.698 24.124 1.00 0.00 H new ATOM 0 HD1 PHE B 43 10.742 14.743 25.417 1.00 0.00 H new ATOM 0 HD2 PHE B 43 8.779 16.557 22.037 1.00 0.00 H new ATOM 0 HE1 PHE B 43 9.255 12.760 25.211 1.00 0.00 H new ATOM 0 HE2 PHE B 43 7.314 14.561 21.823 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.526 12.680 23.430 1.00 0.00 H new ATOM 1729 N PRO B 44 11.677 19.573 26.309 1.00 0.00 N ATOM 1730 CA PRO B 44 12.566 20.716 26.498 1.00 0.00 C ATOM 1731 C PRO B 44 13.983 20.445 25.968 1.00 0.00 C ATOM 1732 O PRO B 44 14.497 19.324 26.034 1.00 0.00 O ATOM 1733 CB PRO B 44 12.564 20.998 28.007 1.00 0.00 C ATOM 1734 CG PRO B 44 12.292 19.622 28.614 1.00 0.00 C ATOM 1735 CD PRO B 44 11.364 18.963 27.596 1.00 0.00 C ATOM 0 HA PRO B 44 12.219 21.580 25.931 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.518 21.406 28.343 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.795 21.719 28.282 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.212 19.053 28.747 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.822 19.701 29.594 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.522 17.885 27.565 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.319 19.124 27.860 1.00 0.00 H new ATOM 1743 N GLY B 45 14.625 21.494 25.454 1.00 0.00 N ATOM 1744 CA GLY B 45 16.022 21.495 24.987 1.00 0.00 C ATOM 1745 C GLY B 45 16.256 20.857 23.611 1.00 0.00 C ATOM 1746 O GLY B 45 17.409 20.751 23.186 1.00 0.00 O ATOM 0 H GLY B 45 14.175 22.403 25.345 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.376 22.525 24.956 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.633 20.970 25.721 1.00 0.00 H new ATOM 1750 N LEU B 46 15.199 20.432 22.911 1.00 0.00 N ATOM 1751 CA LEU B 46 15.273 19.921 21.539 1.00 0.00 C ATOM 1752 C LEU B 46 15.079 21.028 20.489 1.00 0.00 C ATOM 1753 O LEU B 46 14.545 22.102 20.776 1.00 0.00 O ATOM 1754 CB LEU B 46 14.272 18.769 21.325 1.00 0.00 C ATOM 1755 CG LEU B 46 14.435 17.546 22.251 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.528 16.418 21.756 1.00 0.00 C ATOM 1757 CD2 LEU B 46 15.863 16.994 22.281 1.00 0.00 C ATOM 0 H LEU B 46 14.252 20.434 23.289 1.00 0.00 H new ATOM 0 HA LEU B 46 16.281 19.530 21.399 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.264 19.163 21.452 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.355 18.430 20.292 1.00 0.00 H new ATOM 0 HG LEU B 46 14.175 17.884 23.254 1.00 0.00 H new ATOM 0 HD11 LEU B 46 13.639 15.550 22.406 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.491 16.752 21.770 1.00 0.00 H new ATOM 0 HD13 LEU B 46 13.808 16.146 20.738 1.00 0.00 H new ATOM 0 HD21 LEU B 46 15.907 16.135 22.951 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.155 16.686 21.277 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.544 17.767 22.636 1.00 0.00 H new ATOM 1769 N ALA B 47 15.453 20.713 19.251 1.00 0.00 N ATOM 1770 CA ALA B 47 15.121 21.424 18.020 1.00 0.00 C ATOM 1771 C ALA B 47 14.870 20.428 16.868 1.00 0.00 C ATOM 1772 O ALA B 47 15.348 19.291 16.901 1.00 0.00 O ATOM 1773 CB ALA B 47 16.240 22.411 17.681 1.00 0.00 C ATOM 0 H ALA B 47 16.037 19.897 19.070 1.00 0.00 H new ATOM 0 HA ALA B 47 14.200 21.988 18.164 1.00 0.00 H new ATOM 0 HB1 ALA B 47 15.991 22.941 16.762 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.352 23.128 18.495 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.175 21.868 17.545 1.00 0.00 H new ATOM 1779 N ILE B 48 14.115 20.842 15.845 1.00 0.00 N ATOM 1780 CA ILE B 48 13.839 20.032 14.647 1.00 0.00 C ATOM 1781 C ILE B 48 15.117 19.983 13.786 1.00 0.00 C ATOM 1782 O ILE B 48 15.535 21.000 13.227 1.00 0.00 O ATOM 1783 CB ILE B 48 12.618 20.587 13.869 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.354 20.717 14.751 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.330 19.691 12.653 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.223 21.526 14.095 1.00 0.00 C ATOM 0 H ILE B 48 13.671 21.760 15.822 1.00 0.00 H new ATOM 0 HA ILE B 48 13.573 19.014 14.933 1.00 0.00 H new ATOM 0 HB ILE B 48 12.873 21.594 13.538 1.00 0.00 H new ATOM 0 HG12 ILE B 48 10.984 19.720 14.990 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.627 21.190 15.694 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.471 20.083 12.108 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.201 19.677 11.997 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.113 18.678 12.991 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.370 21.574 14.772 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.574 22.535 13.881 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.921 21.043 13.166 1.00 0.00 H new ATOM 1798 N GLY B 49 15.758 18.813 13.709 1.00 0.00 N ATOM 1799 CA GLY B 49 17.077 18.619 13.089 1.00 0.00 C ATOM 1800 C GLY B 49 17.023 18.179 11.620 1.00 0.00 C ATOM 1801 O GLY B 49 17.796 18.675 10.797 1.00 0.00 O ATOM 0 H GLY B 49 15.365 17.950 14.086 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.639 19.551 13.157 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.628 17.872 13.660 1.00 0.00 H new ATOM 1805 N ARG B 50 16.102 17.273 11.271 1.00 0.00 N ATOM 1806 CA ARG B 50 15.902 16.760 9.899 1.00 0.00 C ATOM 1807 C ARG B 50 14.427 16.488 9.611 1.00 0.00 C ATOM 1808 O ARG B 50 13.681 16.091 10.510 1.00 0.00 O ATOM 1809 CB ARG B 50 16.729 15.490 9.632 1.00 0.00 C ATOM 1810 CG ARG B 50 18.225 15.615 9.967 1.00 0.00 C ATOM 1811 CD ARG B 50 18.984 14.350 9.555 1.00 0.00 C ATOM 1812 NE ARG B 50 20.422 14.480 9.833 1.00 0.00 N ATOM 1813 CZ ARG B 50 21.360 13.585 9.584 1.00 0.00 C ATOM 1814 NH1 ARG B 50 21.094 12.425 9.057 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 22.605 13.848 9.851 1.00 0.00 N ATOM 0 H ARG B 50 15.457 16.863 11.946 1.00 0.00 H new ATOM 0 HA ARG B 50 16.251 17.542 9.225 1.00 0.00 H new ATOM 0 HB2 ARG B 50 16.308 14.670 10.213 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.627 15.221 8.581 1.00 0.00 H new ATOM 0 HG2 ARG B 50 18.646 16.480 9.454 1.00 0.00 H new ATOM 0 HG3 ARG B 50 18.349 15.787 11.036 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.583 13.491 10.092 1.00 0.00 H new ATOM 0 HD3 ARG B 50 18.832 14.161 8.492 1.00 0.00 H new ATOM 0 HE ARG B 50 20.727 15.353 10.263 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.132 12.181 8.821 1.00 0.00 H new ATOM 0 HH12 ARG B 50 21.847 11.760 8.880 1.00 0.00 H new ATOM 0 HH21 ARG B 50 22.861 14.749 10.255 1.00 0.00 H new ATOM 0 HH22 ARG B 50 23.326 13.153 9.657 1.00 0.00 H new ATOM 1829 N VAL B 51 14.022 16.660 8.354 1.00 0.00 N ATOM 1830 CA VAL B 51 12.664 16.407 7.852 1.00 0.00 C ATOM 1831 C VAL B 51 12.755 15.636 6.538 1.00 0.00 C ATOM 1832 O VAL B 51 13.531 16.015 5.663 1.00 0.00 O ATOM 1833 CB VAL B 51 11.889 17.734 7.666 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.455 17.518 7.163 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.807 18.546 8.965 1.00 0.00 C ATOM 0 H VAL B 51 14.653 16.993 7.625 1.00 0.00 H new ATOM 0 HA VAL B 51 12.114 15.810 8.580 1.00 0.00 H new ATOM 0 HB VAL B 51 12.460 18.283 6.917 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.960 18.482 7.051 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.480 17.009 6.200 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.905 16.909 7.881 1.00 0.00 H new ATOM 0 HG21 VAL B 51 11.254 19.468 8.784 1.00 0.00 H new ATOM 0 HG22 VAL B 51 11.295 17.960 9.729 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.813 18.788 9.307 1.00 0.00 H new ATOM 1845 N ASP B 52 11.961 14.583 6.377 1.00 0.00 N ATOM 1846 CA ASP B 52 11.868 13.770 5.163 1.00 0.00 C ATOM 1847 C ASP B 52 10.412 13.323 4.947 1.00 0.00 C ATOM 1848 O ASP B 52 9.946 12.336 5.522 1.00 0.00 O ATOM 1849 CB ASP B 52 12.839 12.581 5.273 1.00 0.00 C ATOM 1850 CG ASP B 52 12.855 11.670 4.040 1.00 0.00 C ATOM 1851 OD1 ASP B 52 13.736 10.784 3.953 1.00 0.00 O ATOM 1852 OD2 ASP B 52 12.000 11.805 3.144 1.00 0.00 O1- ATOM 0 H ASP B 52 11.339 14.257 7.116 1.00 0.00 H new ATOM 0 HA ASP B 52 12.158 14.354 4.289 1.00 0.00 H new ATOM 0 HB2 ASP B 52 13.846 12.962 5.443 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.572 11.987 6.147 1.00 0.00 H new ATOM 1857 N LEU B 53 9.686 14.055 4.103 1.00 0.00 N ATOM 1858 CA LEU B 53 8.282 13.804 3.758 1.00 0.00 C ATOM 1859 C LEU B 53 8.109 12.652 2.753 1.00 0.00 C ATOM 1860 O LEU B 53 7.026 12.074 2.657 1.00 0.00 O ATOM 1861 CB LEU B 53 7.661 15.103 3.218 1.00 0.00 C ATOM 1862 CG LEU B 53 7.865 16.339 4.116 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.133 17.526 3.516 1.00 0.00 C ATOM 1864 CD2 LEU B 53 7.352 16.138 5.541 1.00 0.00 C ATOM 0 H LEU B 53 10.070 14.868 3.622 1.00 0.00 H new ATOM 0 HA LEU B 53 7.763 13.490 4.664 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.085 15.311 2.236 1.00 0.00 H new ATOM 0 HB3 LEU B 53 6.592 14.947 3.077 1.00 0.00 H new ATOM 0 HG LEU B 53 8.940 16.511 4.167 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.277 18.401 4.150 1.00 0.00 H new ATOM 0 HD12 LEU B 53 7.527 17.731 2.521 1.00 0.00 H new ATOM 0 HD13 LEU B 53 6.069 17.300 3.446 1.00 0.00 H new ATOM 0 HD21 LEU B 53 7.525 17.044 6.121 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.284 15.922 5.516 1.00 0.00 H new ATOM 0 HD23 LEU B 53 7.880 15.304 6.004 1.00 0.00 H new ATOM 1876 N ARG B 54 9.175 12.285 2.039 1.00 0.00 N ATOM 1877 CA ARG B 54 9.232 11.127 1.130 1.00 0.00 C ATOM 1878 C ARG B 54 9.222 9.819 1.937 1.00 0.00 C ATOM 1879 O ARG B 54 8.455 8.914 1.611 1.00 0.00 O ATOM 1880 CB ARG B 54 10.470 11.314 0.232 1.00 0.00 C ATOM 1881 CG ARG B 54 11.052 10.057 -0.449 1.00 0.00 C ATOM 1882 CD ARG B 54 12.498 10.302 -0.903 1.00 0.00 C ATOM 1883 NE ARG B 54 13.375 10.524 0.265 1.00 0.00 N ATOM 1884 CZ ARG B 54 14.387 11.361 0.377 1.00 0.00 C ATOM 1885 NH1 ARG B 54 14.859 12.040 -0.628 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 14.935 11.551 1.536 1.00 0.00 N ATOM 0 H ARG B 54 10.055 12.800 2.075 1.00 0.00 H new ATOM 0 HA ARG B 54 8.356 11.062 0.484 1.00 0.00 H new ATOM 0 HB2 ARG B 54 10.215 12.031 -0.548 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.258 11.765 0.835 1.00 0.00 H new ATOM 0 HG2 ARG B 54 11.021 9.216 0.243 1.00 0.00 H new ATOM 0 HG3 ARG B 54 10.438 9.786 -1.308 1.00 0.00 H new ATOM 0 HD2 ARG B 54 12.855 9.447 -1.477 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.536 11.168 -1.564 1.00 0.00 H new ATOM 0 HE ARG B 54 13.172 9.958 1.089 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.443 11.936 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.645 12.676 -0.490 1.00 0.00 H new ATOM 0 HH21 ARG B 54 14.583 11.054 2.354 1.00 0.00 H new ATOM 0 HH22 ARG B 54 15.719 12.197 1.630 1.00 0.00 H new ATOM 1900 N SER B 55 10.015 9.733 3.005 1.00 0.00 N ATOM 1901 CA SER B 55 10.028 8.605 3.956 1.00 0.00 C ATOM 1902 C SER B 55 8.929 8.704 5.036 1.00 0.00 C ATOM 1903 O SER B 55 8.536 7.690 5.613 1.00 0.00 O ATOM 1904 CB SER B 55 11.396 8.496 4.644 1.00 0.00 C ATOM 1905 OG SER B 55 12.450 8.417 3.691 1.00 0.00 O ATOM 0 H SER B 55 10.687 10.462 3.245 1.00 0.00 H new ATOM 0 HA SER B 55 9.827 7.713 3.363 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.551 9.361 5.289 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.414 7.614 5.284 1.00 0.00 H new ATOM 0 HG SER B 55 13.058 9.176 3.812 1.00 0.00 H new ATOM 1911 N GLY B 56 8.439 9.916 5.325 1.00 0.00 N ATOM 1912 CA GLY B 56 7.461 10.206 6.388 1.00 0.00 C ATOM 1913 C GLY B 56 8.084 10.246 7.789 1.00 0.00 C ATOM 1914 O GLY B 56 7.529 9.670 8.725 1.00 0.00 O ATOM 0 H GLY B 56 8.720 10.751 4.810 1.00 0.00 H new ATOM 0 HA2 GLY B 56 6.984 11.164 6.182 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.677 9.449 6.368 1.00 0.00 H new ATOM 1918 N VAL B 57 9.259 10.882 7.938 1.00 0.00 N ATOM 1919 CA VAL B 57 10.069 10.909 9.172 1.00 0.00 C ATOM 1920 C VAL B 57 10.550 12.325 9.515 1.00 0.00 C ATOM 1921 O VAL B 57 10.980 13.084 8.641 1.00 0.00 O ATOM 1922 CB VAL B 57 11.266 9.939 9.071 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.083 9.891 10.369 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.828 8.497 8.762 1.00 0.00 C ATOM 0 H VAL B 57 9.687 11.410 7.177 1.00 0.00 H new ATOM 0 HA VAL B 57 9.422 10.578 9.984 1.00 0.00 H new ATOM 0 HB VAL B 57 11.872 10.330 8.254 1.00 0.00 H new ATOM 0 HG11 VAL B 57 12.914 9.196 10.250 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.471 10.885 10.592 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.446 9.558 11.188 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.707 7.855 8.701 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.171 8.139 9.554 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.296 8.474 7.811 1.00 0.00 H new ATOM 1934 N ILE B 58 10.512 12.680 10.799 1.00 0.00 N ATOM 1935 CA ILE B 58 11.092 13.899 11.392 1.00 0.00 C ATOM 1936 C ILE B 58 12.045 13.501 12.525 1.00 0.00 C ATOM 1937 O ILE B 58 11.671 12.715 13.399 1.00 0.00 O ATOM 1938 CB ILE B 58 9.970 14.845 11.884 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.140 15.389 10.697 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.535 16.022 12.705 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.771 15.928 11.128 1.00 0.00 C ATOM 0 H ILE B 58 10.052 12.097 11.498 1.00 0.00 H new ATOM 0 HA ILE B 58 11.662 14.445 10.640 1.00 0.00 H new ATOM 0 HB ILE B 58 9.321 14.255 12.531 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.699 16.183 10.202 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.999 14.595 9.964 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.717 16.663 13.032 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.065 15.637 13.576 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.223 16.599 12.088 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.233 16.296 10.254 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.197 15.129 11.597 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.908 16.742 11.839 1.00 0.00 H new ATOM 1953 N SER B 59 13.265 14.041 12.535 1.00 0.00 N ATOM 1954 CA SER B 59 14.285 13.767 13.560 1.00 0.00 C ATOM 1955 C SER B 59 14.557 15.008 14.410 1.00 0.00 C ATOM 1956 O SER B 59 14.860 16.081 13.874 1.00 0.00 O ATOM 1957 CB SER B 59 15.573 13.269 12.899 1.00 0.00 C ATOM 1958 OG SER B 59 16.554 12.940 13.868 1.00 0.00 O ATOM 0 H SER B 59 13.582 14.694 11.819 1.00 0.00 H new ATOM 0 HA SER B 59 13.907 12.988 14.222 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.355 12.394 12.287 1.00 0.00 H new ATOM 0 HB3 SER B 59 15.962 14.037 12.231 1.00 0.00 H new ATOM 0 HG SER B 59 17.365 12.623 13.418 1.00 0.00 H new ATOM 1964 N LEU B 60 14.453 14.872 15.731 1.00 0.00 N ATOM 1965 CA LEU B 60 14.776 15.923 16.696 1.00 0.00 C ATOM 1966 C LEU B 60 16.177 15.722 17.295 1.00 0.00 C ATOM 1967 O LEU B 60 16.617 14.594 17.514 1.00 0.00 O ATOM 1968 CB LEU B 60 13.717 15.987 17.813 1.00 0.00 C ATOM 1969 CG LEU B 60 12.254 16.034 17.346 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.351 16.182 18.574 1.00 0.00 C ATOM 1971 CD2 LEU B 60 11.966 17.190 16.388 1.00 0.00 C ATOM 0 H LEU B 60 14.135 14.008 16.171 1.00 0.00 H new ATOM 0 HA LEU B 60 14.772 16.873 16.161 1.00 0.00 H new ATOM 0 HB2 LEU B 60 13.845 15.118 18.459 1.00 0.00 H new ATOM 0 HB3 LEU B 60 13.912 16.869 18.423 1.00 0.00 H new ATOM 0 HG LEU B 60 12.058 15.108 16.806 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.309 16.217 18.257 1.00 0.00 H new ATOM 0 HD12 LEU B 60 11.500 15.332 19.240 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.601 17.103 19.101 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.916 17.167 16.096 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.184 18.136 16.883 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.592 17.092 15.501 1.00 0.00 H new ATOM 1983 N ILE B 61 16.866 16.832 17.577 1.00 0.00 N ATOM 1984 CA ILE B 61 18.238 16.884 18.120 1.00 0.00 C ATOM 1985 C ILE B 61 18.324 17.844 19.315 1.00 0.00 C ATOM 1986 O ILE B 61 17.518 18.761 19.448 1.00 0.00 O ATOM 1987 CB ILE B 61 19.273 17.231 17.022 1.00 0.00 C ATOM 1988 CG1 ILE B 61 19.101 18.658 16.458 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.227 16.195 15.886 1.00 0.00 C ATOM 1990 CD1 ILE B 61 20.091 19.662 17.051 1.00 0.00 C ATOM 0 H ILE B 61 16.471 17.761 17.429 1.00 0.00 H new ATOM 0 HA ILE B 61 18.488 15.888 18.485 1.00 0.00 H new ATOM 0 HB ILE B 61 20.252 17.199 17.499 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.225 18.631 15.375 1.00 0.00 H new ATOM 0 HG13 ILE B 61 18.085 19.000 16.655 1.00 0.00 H new ATOM 0 HG21 ILE B 61 19.962 16.457 15.125 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.455 15.207 16.285 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.232 16.186 15.442 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.918 20.645 16.614 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.952 19.716 18.131 1.00 0.00 H new ATOM 0 HD13 ILE B 61 21.109 19.342 16.832 1.00 0.00 H new ATOM 2002 N GLU B 62 19.304 17.633 20.190 1.00 0.00 N ATOM 2003 CA GLU B 62 19.557 18.476 21.369 1.00 0.00 C ATOM 2004 C GLU B 62 20.191 19.815 20.946 1.00 0.00 C ATOM 2005 O GLU B 62 21.301 19.847 20.403 1.00 0.00 O ATOM 2006 CB GLU B 62 20.447 17.737 22.380 1.00 0.00 C ATOM 2007 CG GLU B 62 19.757 16.514 23.008 1.00 0.00 C ATOM 2008 CD GLU B 62 20.649 15.823 24.063 1.00 0.00 C ATOM 2009 OE1 GLU B 62 20.133 15.421 25.135 1.00 0.00 O ATOM 2010 OE2 GLU B 62 21.871 15.658 23.831 1.00 0.00 O1- ATOM 0 H GLU B 62 19.961 16.857 20.103 1.00 0.00 H new ATOM 0 HA GLU B 62 18.605 18.691 21.855 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.362 17.415 21.883 1.00 0.00 H new ATOM 0 HB3 GLU B 62 20.740 18.428 23.171 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.821 16.825 23.472 1.00 0.00 H new ATOM 0 HG3 GLU B 62 19.502 15.800 22.225 1.00 0.00 H new ATOM 2017 N GLU B 63 19.484 20.921 21.180 1.00 0.00 N ATOM 2018 CA GLU B 63 19.817 22.241 20.633 1.00 0.00 C ATOM 2019 C GLU B 63 21.065 22.846 21.299 1.00 0.00 C ATOM 2020 O GLU B 63 21.048 23.217 22.474 1.00 0.00 O ATOM 2021 CB GLU B 63 18.585 23.156 20.736 1.00 0.00 C ATOM 2022 CG GLU B 63 18.704 24.433 19.892 1.00 0.00 C ATOM 2023 CD GLU B 63 19.450 25.556 20.629 1.00 0.00 C ATOM 2024 OE1 GLU B 63 20.642 25.792 20.319 1.00 0.00 O ATOM 2025 OE2 GLU B 63 18.844 26.218 21.502 1.00 0.00 O1- ATOM 0 H GLU B 63 18.649 20.927 21.765 1.00 0.00 H new ATOM 0 HA GLU B 63 20.079 22.134 19.580 1.00 0.00 H new ATOM 0 HB2 GLU B 63 17.702 22.601 20.420 1.00 0.00 H new ATOM 0 HB3 GLU B 63 18.432 23.431 21.779 1.00 0.00 H new ATOM 0 HG2 GLU B 63 19.225 24.204 18.963 1.00 0.00 H new ATOM 0 HG3 GLU B 63 17.707 24.780 19.621 1.00 0.00 H new ATOM 2032 N GLN B 64 22.154 22.936 20.529 1.00 0.00 N ATOM 2033 CA GLN B 64 23.494 23.340 20.977 1.00 0.00 C ATOM 2034 C GLN B 64 24.146 24.308 19.963 1.00 0.00 C ATOM 2035 O GLN B 64 25.335 24.201 19.649 1.00 0.00 O ATOM 2036 CB GLN B 64 24.349 22.091 21.267 1.00 0.00 C ATOM 2037 CG GLN B 64 23.864 21.290 22.490 1.00 0.00 C ATOM 2038 CD GLN B 64 24.384 19.852 22.470 1.00 0.00 C ATOM 2039 OE1 GLN B 64 25.317 19.481 23.171 1.00 0.00 O ATOM 2040 NE2 GLN B 64 23.814 18.996 21.648 1.00 0.00 N ATOM 0 H GLN B 64 22.126 22.720 19.532 1.00 0.00 H new ATOM 0 HA GLN B 64 23.416 23.896 21.912 1.00 0.00 H new ATOM 0 HB2 GLN B 64 24.341 21.443 20.391 1.00 0.00 H new ATOM 0 HB3 GLN B 64 25.383 22.397 21.428 1.00 0.00 H new ATOM 0 HG2 GLN B 64 24.196 21.784 23.403 1.00 0.00 H new ATOM 0 HG3 GLN B 64 22.774 21.282 22.510 1.00 0.00 H new ATOM 0 HE21 GLN B 64 23.036 19.295 21.060 1.00 0.00 H new ATOM 0 HE22 GLN B 64 24.150 18.034 21.600 1.00 0.00 H new ATOM 2049 N ASN B 65 23.358 25.249 19.425 1.00 0.00 N ATOM 2050 CA ASN B 65 23.834 26.310 18.523 1.00 0.00 C ATOM 2051 C ASN B 65 24.685 27.387 19.248 1.00 0.00 C ATOM 2052 O ASN B 65 25.338 28.194 18.581 1.00 0.00 O ATOM 2053 CB ASN B 65 22.602 26.867 17.778 1.00 0.00 C ATOM 2054 CG ASN B 65 22.896 28.056 16.870 1.00 0.00 C ATOM 2055 OD1 ASN B 65 23.737 28.024 15.981 1.00 0.00 O ATOM 2056 ND2 ASN B 65 22.186 29.145 17.074 1.00 0.00 N ATOM 0 H ASN B 65 22.355 25.296 19.607 1.00 0.00 H new ATOM 0 HA ASN B 65 24.534 25.903 17.794 1.00 0.00 H new ATOM 0 HB2 ASN B 65 22.164 26.069 17.179 1.00 0.00 H new ATOM 0 HB3 ASN B 65 21.853 27.163 18.512 1.00 0.00 H new ATOM 0 HD21 ASN B 65 22.335 29.968 16.490 1.00 0.00 H new ATOM 0 HD22 ASN B 65 21.487 29.166 17.816 1.00 0.00 H new ATOM 2063 N ARG B 66 24.715 27.417 20.589 1.00 0.00 N ATOM 2064 CA ARG B 66 25.637 28.247 21.394 1.00 0.00 C ATOM 2065 C ARG B 66 27.108 27.810 21.287 1.00 0.00 C ATOM 2066 O ARG B 66 27.979 28.705 21.159 1.00 0.00 O ATOM 2067 CB ARG B 66 25.165 28.322 22.859 1.00 0.00 C ATOM 2068 CG ARG B 66 25.105 26.978 23.610 1.00 0.00 C ATOM 2069 CD ARG B 66 24.499 27.132 25.011 1.00 0.00 C ATOM 2070 NE ARG B 66 25.348 27.943 25.910 1.00 0.00 N ATOM 2071 CZ ARG B 66 24.990 28.982 26.645 1.00 0.00 C ATOM 2072 NH1 ARG B 66 25.864 29.586 27.391 1.00 0.00 N1+ ATOM 2073 NH2 ARG B 66 23.771 29.444 26.669 1.00 0.00 N ATOM 2074 OXT ARG B 66 27.400 26.592 21.314 1.00 0.00 O1- ATOM 0 H ARG B 66 24.086 26.853 21.161 1.00 0.00 H new ATOM 0 HA ARG B 66 25.604 29.250 20.970 1.00 0.00 H new ATOM 0 HB2 ARG B 66 25.831 28.992 23.403 1.00 0.00 H new ATOM 0 HB3 ARG B 66 24.173 28.774 22.879 1.00 0.00 H new ATOM 0 HG2 ARG B 66 24.513 26.267 23.034 1.00 0.00 H new ATOM 0 HG3 ARG B 66 26.110 26.563 23.693 1.00 0.00 H new ATOM 0 HD2 ARG B 66 23.516 27.596 24.929 1.00 0.00 H new ATOM 0 HD3 ARG B 66 24.350 26.145 25.449 1.00 0.00 H new ATOM 0 HE ARG B 66 26.328 27.668 25.970 1.00 0.00 H new ATOM 0 HH11 ARG B 66 26.830 29.259 27.411 1.00 0.00 H new ATOM 0 HH12 ARG B 66 25.585 30.387 27.957 1.00 0.00 H new ATOM 0 HH21 ARG B 66 23.046 29.001 26.105 1.00 0.00 H new ATOM 0 HH22 ARG B 66 23.542 30.249 27.252 1.00 0.00 H new TER 2088 ARG B 66