USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=19 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 167:sc=-0.00498 (180deg=-0.185) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.19) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -142:sc= 0.0575 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 1.04 (180deg=1.02) USER MOD Single : A 34 THR OG1 : rot -130:sc= 0.0974 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 41 HIS : no HD1:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 55 SER OG : rot 114:sc= 0.405 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : A 65 ASN : amide:sc= 1 K(o=1,f=-0.52) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -168:sc=-0.00269 (180deg=-0.18) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.13) USER MOD Single : B 9 THR OG1 : rot 150:sc= 0.784 USER MOD Single : B -3 GLY N :NH3+ -127:sc= 0.0985 (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= 0.11 USER MOD Single : B 41 HIS : no HD1:sc=-0.00183 X(o=-0.0018,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : B 65 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 11.964 0.842 1.298 1.00 0.00 N ATOM 2 CA GLY A -3 10.921 0.369 2.229 1.00 0.00 C ATOM 3 C GLY A -3 10.092 1.516 2.807 1.00 0.00 C ATOM 4 O GLY A -3 10.093 2.610 2.235 1.00 0.00 O ATOM 0 H1 GLY A -3 12.049 0.175 0.504 1.00 0.00 H new ATOM 0 H2 GLY A -3 11.705 1.781 0.935 1.00 0.00 H new ATOM 0 H3 GLY A -3 12.874 0.903 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A -3 10.262 -0.326 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A -3 11.389 -0.184 3.044 1.00 0.00 H new ATOM 10 N PRO A -2 9.376 1.292 3.925 1.00 0.00 N ATOM 11 CA PRO A -2 8.531 2.294 4.593 1.00 0.00 C ATOM 12 C PRO A -2 9.290 3.546 5.087 1.00 0.00 C ATOM 13 O PRO A -2 10.494 3.500 5.357 1.00 0.00 O ATOM 14 CB PRO A -2 7.862 1.554 5.764 1.00 0.00 C ATOM 15 CG PRO A -2 7.877 0.090 5.323 1.00 0.00 C ATOM 16 CD PRO A -2 9.197 -0.007 4.566 1.00 0.00 C ATOM 0 HA PRO A -2 7.812 2.695 3.879 1.00 0.00 H new ATOM 0 HB2 PRO A -2 8.411 1.698 6.695 1.00 0.00 H new ATOM 0 HB3 PRO A -2 6.846 1.910 5.935 1.00 0.00 H new ATOM 0 HG2 PRO A -2 7.845 -0.591 6.173 1.00 0.00 H new ATOM 0 HG3 PRO A -2 7.025 -0.152 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A -2 10.022 -0.227 5.243 1.00 0.00 H new ATOM 0 HD3 PRO A -2 9.168 -0.808 3.828 1.00 0.00 H new ATOM 24 N GLY A -1 8.629 4.688 5.290 1.00 0.00 N ATOM 25 CA GLY A -1 7.214 4.963 4.995 1.00 0.00 C ATOM 26 C GLY A -1 6.944 5.383 3.542 1.00 0.00 C ATOM 27 O GLY A -1 7.863 5.553 2.734 1.00 0.00 O ATOM 0 H GLY A -1 9.096 5.501 5.691 1.00 0.00 H new ATOM 0 HA2 GLY A -1 6.628 4.072 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A -1 6.862 5.751 5.661 1.00 0.00 H new ATOM 31 N SER A 0 5.663 5.550 3.209 1.00 0.00 N ATOM 32 CA SER A 0 5.188 6.049 1.910 1.00 0.00 C ATOM 33 C SER A 0 5.586 7.512 1.662 1.00 0.00 C ATOM 34 O SER A 0 5.706 8.297 2.607 1.00 0.00 O ATOM 35 CB SER A 0 3.661 5.924 1.824 1.00 0.00 C ATOM 36 OG SER A 0 3.243 4.582 2.026 1.00 0.00 O ATOM 0 H SER A 0 4.901 5.336 3.853 1.00 0.00 H new ATOM 0 HA SER A 0 5.663 5.437 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 0 3.198 6.568 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.319 6.271 0.849 1.00 0.00 H new ATOM 0 HG SER A 0 2.266 4.531 1.968 1.00 0.00 H new ATOM 42 N MET A 1 5.767 7.889 0.393 1.00 0.00 N ATOM 43 CA MET A 1 6.150 9.253 0.013 1.00 0.00 C ATOM 44 C MET A 1 5.040 10.290 0.268 1.00 0.00 C ATOM 45 O MET A 1 3.847 10.033 0.110 1.00 0.00 O ATOM 46 CB MET A 1 6.586 9.310 -1.458 1.00 0.00 C ATOM 47 CG MET A 1 7.925 8.601 -1.689 1.00 0.00 C ATOM 48 SD MET A 1 8.592 8.748 -3.375 1.00 0.00 S ATOM 49 CE MET A 1 8.955 10.524 -3.463 1.00 0.00 C ATOM 0 H MET A 1 5.652 7.258 -0.400 1.00 0.00 H new ATOM 0 HA MET A 1 6.990 9.517 0.655 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.820 8.849 -2.081 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.668 10.351 -1.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.657 9.003 -0.989 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.805 7.544 -1.453 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.575 10.726 -4.337 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.022 11.082 -3.543 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.486 10.832 -2.562 1.00 0.00 H new ATOM 59 N CYS A 2 5.480 11.501 0.600 1.00 0.00 N ATOM 60 CA CYS A 2 4.714 12.735 0.769 1.00 0.00 C ATOM 61 C CYS A 2 5.579 13.915 0.270 1.00 0.00 C ATOM 62 O CYS A 2 6.782 13.752 0.031 1.00 0.00 O ATOM 63 CB CYS A 2 4.285 12.833 2.250 1.00 0.00 C ATOM 64 SG CYS A 2 3.526 14.373 2.842 1.00 0.00 S ATOM 0 H CYS A 2 6.473 11.659 0.774 1.00 0.00 H new ATOM 0 HA CYS A 2 3.798 12.754 0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.582 12.023 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.167 12.643 2.862 1.00 0.00 H new ATOM 69 N MET A 3 5.002 15.102 0.086 1.00 0.00 N ATOM 70 CA MET A 3 5.701 16.309 -0.371 1.00 0.00 C ATOM 71 C MET A 3 5.064 17.577 0.209 1.00 0.00 C ATOM 72 O MET A 3 3.883 17.585 0.572 1.00 0.00 O ATOM 73 CB MET A 3 5.772 16.333 -1.908 1.00 0.00 C ATOM 74 CG MET A 3 4.409 16.455 -2.605 1.00 0.00 C ATOM 75 SD MET A 3 4.412 16.022 -4.370 1.00 0.00 S ATOM 76 CE MET A 3 5.444 17.348 -5.048 1.00 0.00 C ATOM 0 H MET A 3 4.008 15.258 0.255 1.00 0.00 H new ATOM 0 HA MET A 3 6.724 16.284 0.003 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.400 17.168 -2.217 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.261 15.421 -2.251 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.695 15.813 -2.089 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.052 17.479 -2.498 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.540 17.219 -6.126 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.982 18.312 -4.837 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.432 17.311 -4.589 1.00 0.00 H new ATOM 86 N ALA A 4 5.849 18.653 0.299 1.00 0.00 N ATOM 87 CA ALA A 4 5.480 19.901 0.975 1.00 0.00 C ATOM 88 C ALA A 4 6.006 21.150 0.238 1.00 0.00 C ATOM 89 O ALA A 4 6.688 21.046 -0.787 1.00 0.00 O ATOM 90 CB ALA A 4 6.016 19.812 2.417 1.00 0.00 C ATOM 0 H ALA A 4 6.784 18.682 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 4 4.396 20.015 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.762 20.724 2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.567 18.956 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.099 19.693 2.396 1.00 0.00 H new ATOM 96 N LYS A 5 5.725 22.332 0.794 1.00 0.00 N ATOM 97 CA LYS A 5 6.357 23.609 0.428 1.00 0.00 C ATOM 98 C LYS A 5 7.035 24.264 1.633 1.00 0.00 C ATOM 99 O LYS A 5 6.523 24.193 2.750 1.00 0.00 O ATOM 100 CB LYS A 5 5.365 24.547 -0.275 1.00 0.00 C ATOM 101 CG LYS A 5 4.127 24.914 0.576 1.00 0.00 C ATOM 102 CD LYS A 5 3.203 25.919 -0.119 1.00 0.00 C ATOM 103 CE LYS A 5 3.847 27.309 -0.164 1.00 0.00 C ATOM 104 NZ LYS A 5 2.979 28.293 -0.850 1.00 0.00 N1+ ATOM 0 H LYS A 5 5.031 22.433 1.534 1.00 0.00 H new ATOM 0 HA LYS A 5 7.146 23.396 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.885 25.464 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.030 24.076 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.565 24.007 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.457 25.330 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.987 25.581 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.251 25.971 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.050 27.649 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.806 27.249 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.391 29.243 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.902 28.045 -1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.033 28.283 -0.418 1.00 0.00 H new ATOM 118 N VAL A 6 8.177 24.915 1.408 1.00 0.00 N ATOM 119 CA VAL A 6 8.910 25.702 2.418 1.00 0.00 C ATOM 120 C VAL A 6 8.563 27.191 2.306 1.00 0.00 C ATOM 121 O VAL A 6 8.357 27.706 1.206 1.00 0.00 O ATOM 122 CB VAL A 6 10.427 25.439 2.331 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.272 26.435 3.131 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.740 24.048 2.889 1.00 0.00 C ATOM 0 H VAL A 6 8.635 24.914 0.497 1.00 0.00 H new ATOM 0 HA VAL A 6 8.593 25.377 3.409 1.00 0.00 H new ATOM 0 HB VAL A 6 10.682 25.537 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.328 26.187 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.096 27.444 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.994 26.384 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.813 23.864 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.422 23.994 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.208 23.295 2.308 1.00 0.00 H new ATOM 134 N VAL A 7 8.514 27.874 3.458 1.00 0.00 N ATOM 135 CA VAL A 7 8.181 29.297 3.633 1.00 0.00 C ATOM 136 C VAL A 7 9.230 29.973 4.524 1.00 0.00 C ATOM 137 O VAL A 7 9.513 29.477 5.617 1.00 0.00 O ATOM 138 CB VAL A 7 6.783 29.438 4.275 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.371 30.899 4.477 1.00 0.00 C ATOM 140 CG2 VAL A 7 5.693 28.726 3.461 1.00 0.00 C ATOM 0 H VAL A 7 8.718 27.421 4.349 1.00 0.00 H new ATOM 0 HA VAL A 7 8.175 29.781 2.656 1.00 0.00 H new ATOM 0 HB VAL A 7 6.872 28.960 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.381 30.938 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.090 31.393 5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.348 31.407 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.729 28.854 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.649 29.154 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.926 27.664 3.391 1.00 0.00 H new ATOM 150 N LEU A 8 9.789 31.108 4.095 1.00 0.00 N ATOM 151 CA LEU A 8 10.742 31.921 4.869 1.00 0.00 C ATOM 152 C LEU A 8 10.684 33.405 4.467 1.00 0.00 C ATOM 153 O LEU A 8 10.144 33.751 3.416 1.00 0.00 O ATOM 154 CB LEU A 8 12.157 31.321 4.731 1.00 0.00 C ATOM 155 CG LEU A 8 12.799 31.458 3.331 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.829 32.596 3.277 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.525 30.176 2.931 1.00 0.00 C ATOM 0 H LEU A 8 9.588 31.501 3.175 1.00 0.00 H new ATOM 0 HA LEU A 8 10.463 31.893 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.810 31.800 5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.112 30.263 4.990 1.00 0.00 H new ATOM 0 HG LEU A 8 11.977 31.669 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.254 32.655 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.341 33.540 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.624 32.402 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.967 30.301 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.311 29.962 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.816 29.348 2.910 1.00 0.00 H new ATOM 169 N THR A 9 11.257 34.296 5.286 1.00 0.00 N ATOM 170 CA THR A 9 11.336 35.744 4.995 1.00 0.00 C ATOM 171 C THR A 9 12.719 36.300 5.355 1.00 0.00 C ATOM 172 O THR A 9 13.250 36.023 6.433 1.00 0.00 O ATOM 173 CB THR A 9 10.220 36.529 5.717 1.00 0.00 C ATOM 174 OG1 THR A 9 8.950 36.018 5.362 1.00 0.00 O ATOM 175 CG2 THR A 9 10.183 38.012 5.340 1.00 0.00 C ATOM 0 H THR A 9 11.683 34.037 6.176 1.00 0.00 H new ATOM 0 HA THR A 9 11.186 35.873 3.923 1.00 0.00 H new ATOM 0 HB THR A 9 10.439 36.420 6.779 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.252 36.524 5.828 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.376 38.505 5.882 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.133 38.478 5.601 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.013 38.111 4.268 1.00 0.00 H new ATOM 183 N LYS A 10 13.309 37.071 4.436 1.00 0.00 N ATOM 184 CA LYS A 10 14.631 37.713 4.562 1.00 0.00 C ATOM 185 C LYS A 10 14.658 38.866 5.569 1.00 0.00 C ATOM 186 O LYS A 10 13.624 39.440 5.915 1.00 0.00 O ATOM 187 CB LYS A 10 15.043 38.243 3.184 1.00 0.00 C ATOM 188 CG LYS A 10 15.435 37.164 2.165 1.00 0.00 C ATOM 189 CD LYS A 10 15.929 37.822 0.868 1.00 0.00 C ATOM 190 CE LYS A 10 14.801 38.480 0.067 1.00 0.00 C ATOM 191 NZ LYS A 10 15.325 39.524 -0.850 1.00 0.00 N1+ ATOM 0 H LYS A 10 12.862 37.277 3.542 1.00 0.00 H new ATOM 0 HA LYS A 10 15.324 36.958 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.218 38.826 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.884 38.925 3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.216 36.527 2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.579 36.523 1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.681 38.573 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.417 37.070 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.271 37.721 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.078 38.924 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.541 39.927 -1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.780 40.277 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.022 39.101 -1.496 1.00 0.00 H new ATOM 205 N ALA A 11 15.865 39.268 5.969 1.00 0.00 N ATOM 206 CA ALA A 11 16.115 40.434 6.826 1.00 0.00 C ATOM 207 C ALA A 11 15.736 41.782 6.168 1.00 0.00 C ATOM 208 O ALA A 11 15.387 42.738 6.864 1.00 0.00 O ATOM 209 CB ALA A 11 17.596 40.414 7.226 1.00 0.00 C ATOM 0 H ALA A 11 16.720 38.781 5.700 1.00 0.00 H new ATOM 0 HA ALA A 11 15.471 40.359 7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.812 41.271 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.814 39.494 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.215 40.464 6.331 1.00 0.00 H new ATOM 215 N ASP A 12 15.762 41.863 4.830 1.00 0.00 N ATOM 216 CA ASP A 12 15.271 43.004 4.045 1.00 0.00 C ATOM 217 C ASP A 12 13.727 43.040 3.900 1.00 0.00 C ATOM 218 O ASP A 12 13.179 43.963 3.291 1.00 0.00 O ATOM 219 CB ASP A 12 15.993 43.014 2.682 1.00 0.00 C ATOM 220 CG ASP A 12 15.637 41.880 1.702 1.00 0.00 C ATOM 221 OD1 ASP A 12 14.670 41.124 1.939 1.00 0.00 O ATOM 222 OD2 ASP A 12 16.328 41.740 0.665 1.00 0.00 O1- ATOM 0 H ASP A 12 16.136 41.114 4.247 1.00 0.00 H new ATOM 0 HA ASP A 12 15.508 43.919 4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.783 43.965 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 12 17.067 42.980 2.866 1.00 0.00 H new ATOM 227 N GLY A 13 13.022 42.056 4.470 1.00 0.00 N ATOM 228 CA GLY A 13 11.564 41.919 4.444 1.00 0.00 C ATOM 229 C GLY A 13 11.009 41.110 3.262 1.00 0.00 C ATOM 230 O GLY A 13 9.791 40.961 3.155 1.00 0.00 O ATOM 0 H GLY A 13 13.474 41.300 4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.242 41.446 5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.121 42.915 4.423 1.00 0.00 H new ATOM 234 N GLY A 14 11.857 40.584 2.368 1.00 0.00 N ATOM 235 CA GLY A 14 11.422 39.826 1.191 1.00 0.00 C ATOM 236 C GLY A 14 11.034 38.380 1.526 1.00 0.00 C ATOM 237 O GLY A 14 11.880 37.586 1.943 1.00 0.00 O ATOM 0 H GLY A 14 12.870 40.674 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.570 40.330 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.223 39.821 0.451 1.00 0.00 H new ATOM 241 N ARG A 15 9.761 38.019 1.319 1.00 0.00 N ATOM 242 CA ARG A 15 9.251 36.641 1.477 1.00 0.00 C ATOM 243 C ARG A 15 9.707 35.743 0.318 1.00 0.00 C ATOM 244 O ARG A 15 9.716 36.171 -0.838 1.00 0.00 O ATOM 245 CB ARG A 15 7.724 36.674 1.649 1.00 0.00 C ATOM 246 CG ARG A 15 7.096 35.298 1.950 1.00 0.00 C ATOM 247 CD ARG A 15 5.635 35.476 2.376 1.00 0.00 C ATOM 248 NE ARG A 15 4.935 34.186 2.501 1.00 0.00 N ATOM 249 CZ ARG A 15 4.074 33.812 3.423 1.00 0.00 C ATOM 250 NH1 ARG A 15 3.756 34.549 4.452 1.00 0.00 N1+ ATOM 251 NH2 ARG A 15 3.504 32.653 3.300 1.00 0.00 N ATOM 0 H ARG A 15 9.041 38.683 1.032 1.00 0.00 H new ATOM 0 HA ARG A 15 9.673 36.197 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.475 37.360 2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.275 37.076 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.152 34.662 1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.656 34.797 2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.597 36.003 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.118 36.100 1.647 1.00 0.00 H new ATOM 0 HE ARG A 15 5.144 33.494 1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.182 35.468 4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.081 34.206 5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.727 32.057 2.503 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.833 32.338 4.000 1.00 0.00 H new ATOM 265 N VAL A 16 10.065 34.501 0.644 1.00 0.00 N ATOM 266 CA VAL A 16 10.595 33.475 -0.265 1.00 0.00 C ATOM 267 C VAL A 16 9.916 32.131 0.020 1.00 0.00 C ATOM 268 O VAL A 16 9.728 31.753 1.177 1.00 0.00 O ATOM 269 CB VAL A 16 12.134 33.375 -0.139 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.729 32.219 -0.949 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.834 34.668 -0.586 1.00 0.00 C ATOM 0 H VAL A 16 9.990 34.161 1.603 1.00 0.00 H new ATOM 0 HA VAL A 16 10.373 33.758 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 16 12.311 33.197 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.811 32.203 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.307 31.276 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.492 32.355 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.913 34.553 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.591 34.872 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.496 35.498 0.034 1.00 0.00 H new ATOM 281 N GLU A 17 9.556 31.392 -1.033 1.00 0.00 N ATOM 282 CA GLU A 17 8.893 30.082 -0.938 1.00 0.00 C ATOM 283 C GLU A 17 9.439 29.085 -1.976 1.00 0.00 C ATOM 284 O GLU A 17 9.809 29.477 -3.087 1.00 0.00 O ATOM 285 CB GLU A 17 7.359 30.227 -1.073 1.00 0.00 C ATOM 286 CG GLU A 17 6.733 31.152 -0.009 1.00 0.00 C ATOM 287 CD GLU A 17 5.196 31.187 -0.024 1.00 0.00 C ATOM 288 OE1 GLU A 17 4.547 30.587 -0.914 1.00 0.00 O ATOM 289 OE2 GLU A 17 4.616 31.818 0.888 1.00 0.00 O1- ATOM 0 H GLU A 17 9.719 31.690 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 17 9.116 29.680 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.124 30.615 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.901 29.241 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.067 30.830 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.109 32.164 -0.158 1.00 0.00 H new ATOM 296 N ILE A 18 9.475 27.798 -1.620 1.00 0.00 N ATOM 297 CA ILE A 18 9.969 26.695 -2.463 1.00 0.00 C ATOM 298 C ILE A 18 8.902 25.598 -2.511 1.00 0.00 C ATOM 299 O ILE A 18 8.503 25.085 -1.462 1.00 0.00 O ATOM 300 CB ILE A 18 11.314 26.142 -1.937 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.421 27.224 -1.889 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.798 24.954 -2.795 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.558 26.858 -0.929 1.00 0.00 C ATOM 0 H ILE A 18 9.151 27.480 -0.707 1.00 0.00 H new ATOM 0 HA ILE A 18 10.155 27.067 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 18 11.127 25.804 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.827 27.368 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.983 28.174 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.746 24.584 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.056 24.156 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.935 25.281 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.307 27.650 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.160 26.741 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.017 25.923 -1.249 1.00 0.00 H new ATOM 315 N GLY A 19 8.442 25.231 -3.711 1.00 0.00 N ATOM 316 CA GLY A 19 7.476 24.148 -3.937 1.00 0.00 C ATOM 317 C GLY A 19 8.126 22.773 -4.147 1.00 0.00 C ATOM 318 O GLY A 19 9.331 22.658 -4.383 1.00 0.00 O ATOM 0 H GLY A 19 8.737 25.689 -4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.799 24.093 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.870 24.390 -4.810 1.00 0.00 H new ATOM 322 N ASP A 20 7.300 21.721 -4.097 1.00 0.00 N ATOM 323 CA ASP A 20 7.673 20.325 -4.401 1.00 0.00 C ATOM 324 C ASP A 20 8.866 19.790 -3.579 1.00 0.00 C ATOM 325 O ASP A 20 9.716 19.052 -4.082 1.00 0.00 O ATOM 326 CB ASP A 20 7.826 20.110 -5.924 1.00 0.00 C ATOM 327 CG ASP A 20 6.638 20.614 -6.767 1.00 0.00 C ATOM 328 OD1 ASP A 20 6.864 20.992 -7.941 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.479 20.623 -6.286 1.00 0.00 O1- ATOM 0 H ASP A 20 6.319 21.816 -3.835 1.00 0.00 H new ATOM 0 HA ASP A 20 6.840 19.706 -4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.732 20.614 -6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.964 19.046 -6.115 1.00 0.00 H new ATOM 334 N VAL A 21 8.952 20.175 -2.307 1.00 0.00 N ATOM 335 CA VAL A 21 10.002 19.781 -1.357 1.00 0.00 C ATOM 336 C VAL A 21 9.807 18.341 -0.885 1.00 0.00 C ATOM 337 O VAL A 21 8.716 17.967 -0.444 1.00 0.00 O ATOM 338 CB VAL A 21 10.053 20.754 -0.164 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.089 20.353 0.891 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.402 22.168 -0.657 1.00 0.00 C ATOM 0 H VAL A 21 8.262 20.798 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 21 10.960 19.832 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 21 9.066 20.724 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.077 21.077 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.848 19.364 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.080 20.332 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.436 22.851 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.374 22.152 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.643 22.505 -1.363 1.00 0.00 H new ATOM 350 N LEU A 22 10.877 17.541 -0.947 1.00 0.00 N ATOM 351 CA LEU A 22 10.922 16.164 -0.443 1.00 0.00 C ATOM 352 C LEU A 22 11.658 16.015 0.896 1.00 0.00 C ATOM 353 O LEU A 22 11.363 15.077 1.638 1.00 0.00 O ATOM 354 CB LEU A 22 11.566 15.250 -1.501 1.00 0.00 C ATOM 355 CG LEU A 22 10.698 14.928 -2.727 1.00 0.00 C ATOM 356 CD1 LEU A 22 11.399 13.825 -3.518 1.00 0.00 C ATOM 357 CD2 LEU A 22 9.294 14.411 -2.399 1.00 0.00 C ATOM 0 H LEU A 22 11.760 17.842 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 22 9.890 15.869 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.488 15.719 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.845 14.312 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 22 10.580 15.865 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.805 13.574 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.383 14.172 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.509 12.941 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.755 14.211 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.371 13.492 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.756 15.162 -1.821 1.00 0.00 H new ATOM 369 N GLU A 23 12.581 16.921 1.236 1.00 0.00 N ATOM 370 CA GLU A 23 13.246 16.942 2.548 1.00 0.00 C ATOM 371 C GLU A 23 13.794 18.327 2.928 1.00 0.00 C ATOM 372 O GLU A 23 14.192 19.116 2.067 1.00 0.00 O ATOM 373 CB GLU A 23 14.333 15.854 2.633 1.00 0.00 C ATOM 374 CG GLU A 23 15.473 16.006 1.612 1.00 0.00 C ATOM 375 CD GLU A 23 16.422 14.797 1.673 1.00 0.00 C ATOM 376 OE1 GLU A 23 17.594 14.968 2.098 1.00 0.00 O ATOM 377 OE2 GLU A 23 16.011 13.664 1.328 1.00 0.00 O1- ATOM 0 H GLU A 23 12.890 17.664 0.609 1.00 0.00 H new ATOM 0 HA GLU A 23 12.479 16.715 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.758 15.862 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.865 14.880 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.059 16.099 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.029 16.922 1.814 1.00 0.00 H new ATOM 384 N VAL A 24 13.822 18.598 4.237 1.00 0.00 N ATOM 385 CA VAL A 24 14.346 19.819 4.878 1.00 0.00 C ATOM 386 C VAL A 24 15.242 19.427 6.057 1.00 0.00 C ATOM 387 O VAL A 24 14.950 18.458 6.759 1.00 0.00 O ATOM 388 CB VAL A 24 13.211 20.756 5.348 1.00 0.00 C ATOM 389 CG1 VAL A 24 13.741 22.075 5.921 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.258 21.111 4.202 1.00 0.00 C ATOM 0 H VAL A 24 13.459 17.935 4.922 1.00 0.00 H new ATOM 0 HA VAL A 24 14.929 20.370 4.140 1.00 0.00 H new ATOM 0 HB VAL A 24 12.686 20.200 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.904 22.697 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.382 21.868 6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.315 22.599 5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.474 21.771 4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.813 21.615 3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.809 20.200 3.807 1.00 0.00 H new ATOM 400 N ARG A 25 16.336 20.156 6.286 1.00 0.00 N ATOM 401 CA ARG A 25 17.391 19.828 7.271 1.00 0.00 C ATOM 402 C ARG A 25 17.880 21.087 7.991 1.00 0.00 C ATOM 403 O ARG A 25 17.927 22.152 7.375 1.00 0.00 O ATOM 404 CB ARG A 25 18.587 19.132 6.583 1.00 0.00 C ATOM 405 CG ARG A 25 18.213 18.130 5.475 1.00 0.00 C ATOM 406 CD ARG A 25 19.457 17.462 4.887 1.00 0.00 C ATOM 407 NE ARG A 25 19.207 16.999 3.508 1.00 0.00 N ATOM 408 CZ ARG A 25 19.493 17.639 2.386 1.00 0.00 C ATOM 409 NH1 ARG A 25 20.097 18.790 2.371 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 19.144 17.110 1.257 1.00 0.00 N ATOM 0 H ARG A 25 16.526 21.020 5.779 1.00 0.00 H new ATOM 0 HA ARG A 25 16.955 19.149 8.004 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.235 19.897 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.169 18.609 7.342 1.00 0.00 H new ATOM 0 HG2 ARG A 25 17.546 17.369 5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.666 18.645 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.289 18.166 4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 25 19.750 16.617 5.511 1.00 0.00 H new ATOM 0 HE ARG A 25 18.765 16.085 3.409 1.00 0.00 H new ATOM 0 HH11 ARG A 25 20.370 19.234 3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.298 19.249 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.657 16.214 1.243 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.356 17.589 0.382 1.00 0.00 H new ATOM 424 N ALA A 26 18.294 20.970 9.247 1.00 0.00 N ATOM 425 CA ALA A 26 18.861 22.070 10.034 1.00 0.00 C ATOM 426 C ALA A 26 20.268 21.721 10.549 1.00 0.00 C ATOM 427 O ALA A 26 20.463 20.777 11.321 1.00 0.00 O ATOM 428 CB ALA A 26 17.885 22.424 11.164 1.00 0.00 C ATOM 0 H ALA A 26 18.246 20.091 9.762 1.00 0.00 H new ATOM 0 HA ALA A 26 18.988 22.950 9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.296 23.241 11.757 1.00 0.00 H new ATOM 0 HB2 ALA A 26 16.930 22.730 10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.735 21.553 11.802 1.00 0.00 H new ATOM 434 N GLU A 27 21.261 22.508 10.125 1.00 0.00 N ATOM 435 CA GLU A 27 22.629 22.527 10.654 1.00 0.00 C ATOM 436 C GLU A 27 22.746 23.507 11.844 1.00 0.00 C ATOM 437 O GLU A 27 21.844 24.311 12.099 1.00 0.00 O ATOM 438 CB GLU A 27 23.610 22.919 9.534 1.00 0.00 C ATOM 439 CG GLU A 27 23.535 21.982 8.313 1.00 0.00 C ATOM 440 CD GLU A 27 24.652 22.228 7.270 1.00 0.00 C ATOM 441 OE1 GLU A 27 25.453 23.188 7.393 1.00 0.00 O ATOM 442 OE2 GLU A 27 24.729 21.445 6.295 1.00 0.00 O1- ATOM 0 H GLU A 27 21.128 23.180 9.369 1.00 0.00 H new ATOM 0 HA GLU A 27 22.879 21.530 11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.400 23.940 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.626 22.911 9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 27 23.591 20.949 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 27 22.566 22.106 7.830 1.00 0.00 H new ATOM 449 N GLY A 28 23.886 23.506 12.544 1.00 0.00 N ATOM 450 CA GLY A 28 24.217 24.451 13.627 1.00 0.00 C ATOM 451 C GLY A 28 24.532 25.884 13.161 1.00 0.00 C ATOM 452 O GLY A 28 25.511 26.475 13.627 1.00 0.00 O ATOM 0 H GLY A 28 24.629 22.829 12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 28 23.382 24.487 14.326 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.076 24.066 14.176 1.00 0.00 H new ATOM 456 N GLY A 29 23.755 26.419 12.215 1.00 0.00 N ATOM 457 CA GLY A 29 23.955 27.744 11.604 1.00 0.00 C ATOM 458 C GLY A 29 23.137 28.034 10.333 1.00 0.00 C ATOM 459 O GLY A 29 23.124 29.184 9.892 1.00 0.00 O ATOM 0 H GLY A 29 22.943 25.930 11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.715 28.504 12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.012 27.855 11.364 1.00 0.00 H new ATOM 463 N ALA A 30 22.450 27.047 9.736 1.00 0.00 N ATOM 464 CA ALA A 30 21.704 27.202 8.483 1.00 0.00 C ATOM 465 C ALA A 30 20.634 26.114 8.284 1.00 0.00 C ATOM 466 O ALA A 30 20.812 24.973 8.717 1.00 0.00 O ATOM 467 CB ALA A 30 22.700 27.170 7.312 1.00 0.00 C ATOM 0 H ALA A 30 22.398 26.103 10.120 1.00 0.00 H new ATOM 0 HA ALA A 30 21.177 28.155 8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.160 27.284 6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.416 27.985 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.231 26.218 7.312 1.00 0.00 H new ATOM 473 N VAL A 31 19.554 26.444 7.569 1.00 0.00 N ATOM 474 CA VAL A 31 18.575 25.461 7.051 1.00 0.00 C ATOM 475 C VAL A 31 18.881 25.115 5.592 1.00 0.00 C ATOM 476 O VAL A 31 19.323 25.972 4.826 1.00 0.00 O ATOM 477 CB VAL A 31 17.128 25.963 7.235 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.081 25.040 6.591 1.00 0.00 C ATOM 479 CG2 VAL A 31 16.789 26.043 8.729 1.00 0.00 C ATOM 0 H VAL A 31 19.325 27.408 7.327 1.00 0.00 H new ATOM 0 HA VAL A 31 18.668 24.544 7.633 1.00 0.00 H new ATOM 0 HB VAL A 31 17.088 26.938 6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.084 25.449 6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.270 24.967 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.145 24.049 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.766 26.398 8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.886 25.054 9.178 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.474 26.733 9.221 1.00 0.00 H new ATOM 489 N ARG A 32 18.629 23.863 5.197 1.00 0.00 N ATOM 490 CA ARG A 32 18.774 23.331 3.826 1.00 0.00 C ATOM 491 C ARG A 32 17.481 22.654 3.360 1.00 0.00 C ATOM 492 O ARG A 32 16.763 22.076 4.170 1.00 0.00 O ATOM 493 CB ARG A 32 19.967 22.361 3.755 1.00 0.00 C ATOM 494 CG ARG A 32 21.318 23.086 3.886 1.00 0.00 C ATOM 495 CD ARG A 32 22.483 22.114 4.106 1.00 0.00 C ATOM 496 NE ARG A 32 22.707 21.201 2.970 1.00 0.00 N ATOM 497 CZ ARG A 32 23.667 20.296 2.879 1.00 0.00 C ATOM 498 NH1 ARG A 32 24.561 20.111 3.808 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 23.735 19.554 1.814 1.00 0.00 N ATOM 0 H ARG A 32 18.302 23.153 5.852 1.00 0.00 H new ATOM 0 HA ARG A 32 18.969 24.164 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.877 21.619 4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 32 19.937 21.821 2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.502 23.672 2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.272 23.788 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.393 22.685 4.288 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.291 21.525 5.003 1.00 0.00 H new ATOM 0 HE ARG A 32 22.063 21.274 2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.541 20.678 4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.281 19.399 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.054 19.674 1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.469 18.851 1.728 1.00 0.00 H new ATOM 513 N VAL A 33 17.194 22.724 2.062 1.00 0.00 N ATOM 514 CA VAL A 33 15.923 22.312 1.434 1.00 0.00 C ATOM 515 C VAL A 33 16.215 21.610 0.106 1.00 0.00 C ATOM 516 O VAL A 33 16.993 22.137 -0.690 1.00 0.00 O ATOM 517 CB VAL A 33 15.027 23.544 1.171 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.689 23.154 0.520 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.728 24.347 2.439 1.00 0.00 C ATOM 0 H VAL A 33 17.864 23.084 1.383 1.00 0.00 H new ATOM 0 HA VAL A 33 15.403 21.632 2.109 1.00 0.00 H new ATOM 0 HB VAL A 33 15.603 24.168 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.091 24.050 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.878 22.661 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.148 22.474 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.095 25.199 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.213 23.711 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.662 24.704 2.872 1.00 0.00 H new ATOM 529 N THR A 34 15.597 20.454 -0.169 1.00 0.00 N ATOM 530 CA THR A 34 15.787 19.685 -1.418 1.00 0.00 C ATOM 531 C THR A 34 14.455 19.260 -2.058 1.00 0.00 C ATOM 532 O THR A 34 13.561 18.734 -1.385 1.00 0.00 O ATOM 533 CB THR A 34 16.714 18.480 -1.193 1.00 0.00 C ATOM 534 OG1 THR A 34 17.976 18.925 -0.741 1.00 0.00 O ATOM 535 CG2 THR A 34 16.982 17.655 -2.455 1.00 0.00 C ATOM 0 H THR A 34 14.940 20.015 0.476 1.00 0.00 H new ATOM 0 HA THR A 34 16.272 20.354 -2.129 1.00 0.00 H new ATOM 0 HB THR A 34 16.195 17.855 -0.467 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.681 18.511 -1.281 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.644 16.824 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.040 17.267 -2.843 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.453 18.286 -3.209 1.00 0.00 H new ATOM 543 N THR A 35 14.316 19.497 -3.362 1.00 0.00 N ATOM 544 CA THR A 35 13.082 19.266 -4.137 1.00 0.00 C ATOM 545 C THR A 35 12.994 17.867 -4.766 1.00 0.00 C ATOM 546 O THR A 35 13.972 17.118 -4.840 1.00 0.00 O ATOM 547 CB THR A 35 12.883 20.326 -5.232 1.00 0.00 C ATOM 548 OG1 THR A 35 13.800 20.120 -6.297 1.00 0.00 O ATOM 549 CG2 THR A 35 13.040 21.762 -4.728 1.00 0.00 C ATOM 0 H THR A 35 15.077 19.866 -3.932 1.00 0.00 H new ATOM 0 HA THR A 35 12.281 19.345 -3.402 1.00 0.00 H new ATOM 0 HB THR A 35 11.855 20.204 -5.574 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.659 20.802 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.886 22.456 -5.554 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.303 21.957 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.042 21.898 -4.322 1.00 0.00 H new ATOM 557 N LEU A 36 11.804 17.542 -5.286 1.00 0.00 N ATOM 558 CA LEU A 36 11.484 16.388 -6.136 1.00 0.00 C ATOM 559 C LEU A 36 12.373 16.285 -7.393 1.00 0.00 C ATOM 560 O LEU A 36 12.533 15.192 -7.950 1.00 0.00 O ATOM 561 CB LEU A 36 9.988 16.533 -6.486 1.00 0.00 C ATOM 562 CG LEU A 36 9.399 15.526 -7.493 1.00 0.00 C ATOM 563 CD1 LEU A 36 9.467 14.081 -6.998 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.926 15.855 -7.724 1.00 0.00 C ATOM 0 H LEU A 36 10.981 18.119 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 36 11.685 15.457 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.416 16.459 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.829 17.537 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 36 9.992 15.610 -8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.038 13.418 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.507 13.805 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.905 13.988 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.502 15.146 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.386 15.788 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.837 16.866 -8.122 1.00 0.00 H new ATOM 576 N PHE A 37 12.964 17.403 -7.826 1.00 0.00 N ATOM 577 CA PHE A 37 13.823 17.502 -9.014 1.00 0.00 C ATOM 578 C PHE A 37 15.319 17.653 -8.668 1.00 0.00 C ATOM 579 O PHE A 37 16.123 18.061 -9.507 1.00 0.00 O ATOM 580 CB PHE A 37 13.266 18.593 -9.940 1.00 0.00 C ATOM 581 CG PHE A 37 11.796 18.382 -10.256 1.00 0.00 C ATOM 582 CD1 PHE A 37 11.412 17.382 -11.170 1.00 0.00 C ATOM 583 CD2 PHE A 37 10.809 19.106 -9.558 1.00 0.00 C ATOM 584 CE1 PHE A 37 10.049 17.102 -11.388 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.447 18.827 -9.775 1.00 0.00 C ATOM 586 CZ PHE A 37 9.066 17.823 -10.685 1.00 0.00 C ATOM 0 H PHE A 37 12.855 18.295 -7.344 1.00 0.00 H new ATOM 0 HA PHE A 37 13.795 16.559 -9.561 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.399 19.568 -9.471 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.837 18.606 -10.868 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.167 16.827 -11.707 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.098 19.875 -8.857 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.759 16.336 -12.092 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.692 19.385 -9.242 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.020 17.606 -10.844 1.00 0.00 H new ATOM 596 N ASP A 38 15.693 17.306 -7.429 1.00 0.00 N ATOM 597 CA ASP A 38 17.057 17.320 -6.879 1.00 0.00 C ATOM 598 C ASP A 38 17.732 18.707 -6.844 1.00 0.00 C ATOM 599 O ASP A 38 18.956 18.810 -6.702 1.00 0.00 O ATOM 600 CB ASP A 38 17.941 16.230 -7.521 1.00 0.00 C ATOM 601 CG ASP A 38 17.334 14.814 -7.527 1.00 0.00 C ATOM 602 OD1 ASP A 38 16.615 14.431 -6.572 1.00 0.00 O ATOM 603 OD2 ASP A 38 17.626 14.043 -8.474 1.00 0.00 O1- ATOM 0 H ASP A 38 15.010 16.988 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 38 16.943 17.068 -5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.158 16.519 -8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.893 16.198 -6.991 1.00 0.00 H new ATOM 608 N GLU A 39 16.956 19.793 -6.940 1.00 0.00 N ATOM 609 CA GLU A 39 17.455 21.150 -6.676 1.00 0.00 C ATOM 610 C GLU A 39 17.616 21.358 -5.163 1.00 0.00 C ATOM 611 O GLU A 39 16.707 21.029 -4.398 1.00 0.00 O ATOM 612 CB GLU A 39 16.522 22.228 -7.262 1.00 0.00 C ATOM 613 CG GLU A 39 16.323 22.141 -8.786 1.00 0.00 C ATOM 614 CD GLU A 39 17.623 22.261 -9.607 1.00 0.00 C ATOM 615 OE1 GLU A 39 17.679 21.719 -10.740 1.00 0.00 O ATOM 616 OE2 GLU A 39 18.587 22.935 -9.167 1.00 0.00 O1- ATOM 0 H GLU A 39 15.971 19.758 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 39 18.423 21.252 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.549 22.151 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.924 23.211 -7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.844 21.191 -9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.638 22.930 -9.096 1.00 0.00 H new ATOM 623 N GLU A 40 18.758 21.899 -4.731 1.00 0.00 N ATOM 624 CA GLU A 40 19.038 22.207 -3.323 1.00 0.00 C ATOM 625 C GLU A 40 19.155 23.713 -3.073 1.00 0.00 C ATOM 626 O GLU A 40 19.726 24.453 -3.882 1.00 0.00 O ATOM 627 CB GLU A 40 20.285 21.448 -2.826 1.00 0.00 C ATOM 628 CG GLU A 40 20.530 21.626 -1.322 1.00 0.00 C ATOM 629 CD GLU A 40 21.554 20.633 -0.749 1.00 0.00 C ATOM 630 OE1 GLU A 40 22.514 20.222 -1.445 1.00 0.00 O ATOM 631 OE2 GLU A 40 21.426 20.274 0.448 1.00 0.00 O1- ATOM 0 H GLU A 40 19.526 22.140 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 40 18.184 21.861 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.171 20.387 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.160 21.796 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.877 22.642 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.585 21.509 -0.791 1.00 0.00 H new ATOM 638 N HIS A 41 18.643 24.166 -1.929 1.00 0.00 N ATOM 639 CA HIS A 41 18.663 25.555 -1.463 1.00 0.00 C ATOM 640 C HIS A 41 19.153 25.618 -0.007 1.00 0.00 C ATOM 641 O HIS A 41 18.919 24.680 0.761 1.00 0.00 O ATOM 642 CB HIS A 41 17.258 26.162 -1.601 1.00 0.00 C ATOM 643 CG HIS A 41 16.583 25.923 -2.930 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.713 26.708 -4.076 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.762 24.865 -3.206 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.959 26.108 -5.016 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.375 25.008 -4.523 1.00 0.00 N ATOM 0 H HIS A 41 18.179 23.543 -1.267 1.00 0.00 H new ATOM 0 HA HIS A 41 19.354 26.136 -2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.625 25.756 -0.812 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.326 27.237 -1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.474 24.075 -2.528 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.841 26.465 -6.029 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.751 24.383 -5.033 1.00 0.00 H new ATOM 655 N ALA A 42 19.823 26.703 0.379 1.00 0.00 N ATOM 656 CA ALA A 42 20.373 26.893 1.728 1.00 0.00 C ATOM 657 C ALA A 42 20.195 28.331 2.254 1.00 0.00 C ATOM 658 O ALA A 42 20.338 29.302 1.504 1.00 0.00 O ATOM 659 CB ALA A 42 21.845 26.464 1.723 1.00 0.00 C ATOM 0 H ALA A 42 20.004 27.490 -0.244 1.00 0.00 H new ATOM 0 HA ALA A 42 19.811 26.267 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.267 26.600 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.917 25.414 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.399 27.073 1.008 1.00 0.00 H new ATOM 665 N PHE A 43 19.911 28.459 3.554 1.00 0.00 N ATOM 666 CA PHE A 43 19.501 29.701 4.224 1.00 0.00 C ATOM 667 C PHE A 43 20.133 29.843 5.625 1.00 0.00 C ATOM 668 O PHE A 43 19.637 29.240 6.589 1.00 0.00 O ATOM 669 CB PHE A 43 17.964 29.755 4.290 1.00 0.00 C ATOM 670 CG PHE A 43 17.279 29.655 2.939 1.00 0.00 C ATOM 671 CD1 PHE A 43 17.206 30.788 2.111 1.00 0.00 C ATOM 672 CD2 PHE A 43 16.773 28.423 2.485 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.637 30.687 0.827 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.210 28.316 1.200 1.00 0.00 C ATOM 675 CZ PHE A 43 16.146 29.451 0.364 1.00 0.00 C ATOM 0 H PHE A 43 19.962 27.668 4.196 1.00 0.00 H new ATOM 0 HA PHE A 43 19.866 30.547 3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.610 28.943 4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 43 17.665 30.688 4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.587 31.737 2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 43 16.817 27.555 3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.577 31.561 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.828 27.367 0.854 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.722 29.372 -0.626 1.00 0.00 H new ATOM 685 N PRO A 44 21.226 30.615 5.774 1.00 0.00 N ATOM 686 CA PRO A 44 21.872 30.869 7.064 1.00 0.00 C ATOM 687 C PRO A 44 20.980 31.579 8.092 1.00 0.00 C ATOM 688 O PRO A 44 20.119 32.394 7.741 1.00 0.00 O ATOM 689 CB PRO A 44 23.129 31.692 6.755 1.00 0.00 C ATOM 690 CG PRO A 44 23.444 31.315 5.308 1.00 0.00 C ATOM 691 CD PRO A 44 22.055 31.150 4.703 1.00 0.00 C ATOM 0 HA PRO A 44 22.106 29.917 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 44 22.947 32.761 6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 44 23.951 31.440 7.425 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.018 32.091 4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.026 30.396 5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.667 32.104 4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.077 30.474 3.848 1.00 0.00 H new ATOM 699 N GLY A 45 21.222 31.299 9.379 1.00 0.00 N ATOM 700 CA GLY A 45 20.609 31.995 10.519 1.00 0.00 C ATOM 701 C GLY A 45 19.159 31.605 10.844 1.00 0.00 C ATOM 702 O GLY A 45 18.535 32.235 11.705 1.00 0.00 O ATOM 0 H GLY A 45 21.867 30.562 9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.220 31.812 11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.641 33.067 10.325 1.00 0.00 H new ATOM 706 N LEU A 46 18.618 30.582 10.173 1.00 0.00 N ATOM 707 CA LEU A 46 17.259 30.071 10.369 1.00 0.00 C ATOM 708 C LEU A 46 17.242 28.756 11.173 1.00 0.00 C ATOM 709 O LEU A 46 18.256 28.070 11.309 1.00 0.00 O ATOM 710 CB LEU A 46 16.559 29.871 9.006 1.00 0.00 C ATOM 711 CG LEU A 46 16.474 31.101 8.083 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.581 30.762 6.891 1.00 0.00 C ATOM 713 CD2 LEU A 46 15.872 32.328 8.766 1.00 0.00 C ATOM 0 H LEU A 46 19.132 30.071 9.455 1.00 0.00 H new ATOM 0 HA LEU A 46 16.714 30.816 10.950 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.080 29.079 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.546 29.516 9.193 1.00 0.00 H new ATOM 0 HG LEU A 46 17.496 31.342 7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.513 31.626 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.007 29.920 6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.585 30.498 7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.841 33.158 8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.860 32.098 9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.484 32.604 9.624 1.00 0.00 H new ATOM 725 N ALA A 47 16.047 28.381 11.620 1.00 0.00 N ATOM 726 CA ALA A 47 15.672 27.037 12.048 1.00 0.00 C ATOM 727 C ALA A 47 14.255 26.694 11.557 1.00 0.00 C ATOM 728 O ALA A 47 13.477 27.579 11.187 1.00 0.00 O ATOM 729 CB ALA A 47 15.798 26.931 13.573 1.00 0.00 C ATOM 0 H ALA A 47 15.273 29.041 11.697 1.00 0.00 H new ATOM 0 HA ALA A 47 16.348 26.306 11.604 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.518 25.927 13.892 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.828 27.131 13.868 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.138 27.659 14.044 1.00 0.00 H new ATOM 735 N ILE A 48 13.919 25.399 11.540 1.00 0.00 N ATOM 736 CA ILE A 48 12.576 24.914 11.190 1.00 0.00 C ATOM 737 C ILE A 48 11.615 25.296 12.324 1.00 0.00 C ATOM 738 O ILE A 48 11.731 24.781 13.439 1.00 0.00 O ATOM 739 CB ILE A 48 12.594 23.389 10.918 1.00 0.00 C ATOM 740 CG1 ILE A 48 13.591 23.011 9.791 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.175 22.891 10.576 1.00 0.00 C ATOM 742 CD1 ILE A 48 13.853 21.501 9.693 1.00 0.00 C ATOM 0 H ILE A 48 14.574 24.652 11.770 1.00 0.00 H new ATOM 0 HA ILE A 48 12.232 25.381 10.267 1.00 0.00 H new ATOM 0 HB ILE A 48 12.935 22.896 11.829 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.203 23.368 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 48 14.536 23.526 9.963 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.202 21.818 10.387 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.506 23.096 11.412 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.813 23.407 9.687 1.00 0.00 H new ATOM 0 HD11 ILE A 48 14.558 21.306 8.885 1.00 0.00 H new ATOM 0 HD12 ILE A 48 14.270 21.142 10.634 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.916 20.982 9.490 1.00 0.00 H new ATOM 754 N GLY A 49 10.695 26.230 12.067 1.00 0.00 N ATOM 755 CA GLY A 49 9.787 26.806 13.064 1.00 0.00 C ATOM 756 C GLY A 49 8.530 25.968 13.287 1.00 0.00 C ATOM 757 O GLY A 49 8.200 25.634 14.429 1.00 0.00 O ATOM 0 H GLY A 49 10.557 26.617 11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.317 26.913 14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.497 27.807 12.746 1.00 0.00 H new ATOM 761 N ARG A 50 7.852 25.587 12.198 1.00 0.00 N ATOM 762 CA ARG A 50 6.686 24.686 12.209 1.00 0.00 C ATOM 763 C ARG A 50 6.606 23.850 10.932 1.00 0.00 C ATOM 764 O ARG A 50 6.772 24.377 9.835 1.00 0.00 O ATOM 765 CB ARG A 50 5.400 25.510 12.437 1.00 0.00 C ATOM 766 CG ARG A 50 4.131 24.641 12.531 1.00 0.00 C ATOM 767 CD ARG A 50 2.917 25.479 12.966 1.00 0.00 C ATOM 768 NE ARG A 50 1.672 24.686 12.912 1.00 0.00 N ATOM 769 CZ ARG A 50 0.815 24.607 11.906 1.00 0.00 C ATOM 770 NH1 ARG A 50 0.928 25.302 10.811 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 -0.187 23.792 11.983 1.00 0.00 N ATOM 0 H ARG A 50 8.102 25.902 11.261 1.00 0.00 H new ATOM 0 HA ARG A 50 6.797 23.979 13.031 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.505 26.089 13.355 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.284 26.224 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.930 24.179 11.564 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.292 23.832 13.243 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.072 25.849 13.980 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.824 26.351 12.319 1.00 0.00 H new ATOM 0 HE ARG A 50 1.447 24.138 13.743 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.708 25.949 10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.236 25.200 10.068 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.313 23.216 12.815 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.851 23.726 11.212 1.00 0.00 H new ATOM 785 N VAL A 51 6.282 22.569 11.077 1.00 0.00 N ATOM 786 CA VAL A 51 5.837 21.671 9.993 1.00 0.00 C ATOM 787 C VAL A 51 4.395 21.239 10.242 1.00 0.00 C ATOM 788 O VAL A 51 4.027 20.895 11.364 1.00 0.00 O ATOM 789 CB VAL A 51 6.798 20.483 9.773 1.00 0.00 C ATOM 790 CG1 VAL A 51 7.168 19.729 11.056 1.00 0.00 C ATOM 791 CG2 VAL A 51 6.234 19.459 8.777 1.00 0.00 C ATOM 0 H VAL A 51 6.320 22.101 11.983 1.00 0.00 H new ATOM 0 HA VAL A 51 5.863 22.224 9.054 1.00 0.00 H new ATOM 0 HB VAL A 51 7.698 20.951 9.375 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.846 18.910 10.814 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.657 20.412 11.751 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.265 19.329 11.516 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.944 18.642 8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.290 19.066 9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.067 19.942 7.814 1.00 0.00 H new ATOM 801 N ASP A 52 3.585 21.244 9.186 1.00 0.00 N ATOM 802 CA ASP A 52 2.174 20.849 9.181 1.00 0.00 C ATOM 803 C ASP A 52 1.890 19.982 7.947 1.00 0.00 C ATOM 804 O ASP A 52 1.909 20.466 6.810 1.00 0.00 O ATOM 805 CB ASP A 52 1.316 22.120 9.227 1.00 0.00 C ATOM 806 CG ASP A 52 -0.207 21.899 9.160 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.677 20.791 8.805 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.945 22.871 9.445 1.00 0.00 O1- ATOM 0 H ASP A 52 3.908 21.538 8.264 1.00 0.00 H new ATOM 0 HA ASP A 52 1.926 20.245 10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.547 22.659 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.608 22.764 8.398 1.00 0.00 H new ATOM 813 N LEU A 53 1.643 18.692 8.178 1.00 0.00 N ATOM 814 CA LEU A 53 1.468 17.678 7.135 1.00 0.00 C ATOM 815 C LEU A 53 0.020 17.566 6.624 1.00 0.00 C ATOM 816 O LEU A 53 -0.214 16.951 5.580 1.00 0.00 O ATOM 817 CB LEU A 53 2.010 16.340 7.665 1.00 0.00 C ATOM 818 CG LEU A 53 3.484 16.395 8.127 1.00 0.00 C ATOM 819 CD1 LEU A 53 3.936 15.027 8.621 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.436 16.821 7.004 1.00 0.00 C ATOM 0 H LEU A 53 1.557 18.312 9.121 1.00 0.00 H new ATOM 0 HA LEU A 53 2.036 17.982 6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.390 16.015 8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.913 15.586 6.884 1.00 0.00 H new ATOM 0 HG LEU A 53 3.524 17.136 8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.976 15.082 8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.312 14.719 9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.844 14.300 7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.458 16.843 7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.369 16.110 6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.159 17.814 6.649 1.00 0.00 H new ATOM 832 N ARG A 54 -0.954 18.202 7.293 1.00 0.00 N ATOM 833 CA ARG A 54 -2.325 18.386 6.768 1.00 0.00 C ATOM 834 C ARG A 54 -2.333 19.502 5.723 1.00 0.00 C ATOM 835 O ARG A 54 -2.912 19.326 4.650 1.00 0.00 O ATOM 836 CB ARG A 54 -3.305 18.680 7.929 1.00 0.00 C ATOM 837 CG ARG A 54 -4.620 17.877 7.908 1.00 0.00 C ATOM 838 CD ARG A 54 -5.676 18.345 6.896 1.00 0.00 C ATOM 839 NE ARG A 54 -5.299 18.034 5.503 1.00 0.00 N ATOM 840 CZ ARG A 54 -5.906 17.241 4.643 1.00 0.00 C ATOM 841 NH1 ARG A 54 -6.979 16.562 4.919 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -5.439 17.097 3.441 1.00 0.00 N ATOM 0 H ARG A 54 -0.817 18.607 8.219 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.657 17.469 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.794 18.482 8.871 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.548 19.742 7.915 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.383 16.834 7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.060 17.911 8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.630 17.871 7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.822 19.420 6.998 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.456 18.494 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.399 16.626 5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.402 15.965 4.208 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.598 17.599 3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.913 16.482 2.780 1.00 0.00 H new ATOM 856 N SER A 55 -1.665 20.619 6.008 1.00 0.00 N ATOM 857 CA SER A 55 -1.473 21.737 5.068 1.00 0.00 C ATOM 858 C SER A 55 -0.410 21.450 3.994 1.00 0.00 C ATOM 859 O SER A 55 -0.492 21.970 2.883 1.00 0.00 O ATOM 860 CB SER A 55 -1.081 23.010 5.827 1.00 0.00 C ATOM 861 OG SER A 55 -2.109 23.405 6.720 1.00 0.00 O ATOM 0 H SER A 55 -1.231 20.781 6.917 1.00 0.00 H new ATOM 0 HA SER A 55 -2.428 21.872 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.159 22.838 6.382 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.881 23.814 5.118 1.00 0.00 H new ATOM 0 HG SER A 55 -1.790 23.322 7.643 1.00 0.00 H new ATOM 867 N GLY A 56 0.583 20.613 4.308 1.00 0.00 N ATOM 868 CA GLY A 56 1.757 20.356 3.456 1.00 0.00 C ATOM 869 C GLY A 56 2.761 21.518 3.455 1.00 0.00 C ATOM 870 O GLY A 56 3.317 21.846 2.406 1.00 0.00 O ATOM 0 H GLY A 56 0.597 20.082 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.257 19.451 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.425 20.169 2.435 1.00 0.00 H new ATOM 874 N VAL A 57 2.960 22.176 4.603 1.00 0.00 N ATOM 875 CA VAL A 57 3.726 23.434 4.737 1.00 0.00 C ATOM 876 C VAL A 57 4.804 23.335 5.821 1.00 0.00 C ATOM 877 O VAL A 57 4.563 22.785 6.896 1.00 0.00 O ATOM 878 CB VAL A 57 2.780 24.631 4.995 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.537 25.959 5.174 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.806 24.840 3.825 1.00 0.00 C ATOM 0 H VAL A 57 2.585 21.845 5.492 1.00 0.00 H new ATOM 0 HA VAL A 57 4.240 23.605 3.791 1.00 0.00 H new ATOM 0 HB VAL A 57 2.250 24.376 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.823 26.763 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.214 25.880 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.110 26.175 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.156 25.689 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.370 25.036 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.200 23.944 3.692 1.00 0.00 H new ATOM 890 N ILE A 58 5.979 23.914 5.548 1.00 0.00 N ATOM 891 CA ILE A 58 7.112 24.041 6.475 1.00 0.00 C ATOM 892 C ILE A 58 7.531 25.515 6.579 1.00 0.00 C ATOM 893 O ILE A 58 8.136 26.067 5.661 1.00 0.00 O ATOM 894 CB ILE A 58 8.281 23.126 6.033 1.00 0.00 C ATOM 895 CG1 ILE A 58 7.850 21.639 6.015 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.495 23.315 6.962 1.00 0.00 C ATOM 897 CD1 ILE A 58 8.881 20.682 5.409 1.00 0.00 C ATOM 0 H ILE A 58 6.176 24.325 4.635 1.00 0.00 H new ATOM 0 HA ILE A 58 6.812 23.710 7.469 1.00 0.00 H new ATOM 0 HB ILE A 58 8.564 23.411 5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.638 21.324 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.919 21.551 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.307 22.664 6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.824 24.353 6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.214 23.061 7.984 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.494 19.664 5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.077 20.966 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.807 20.735 5.982 1.00 0.00 H new ATOM 909 N SER A 59 7.210 26.163 7.696 1.00 0.00 N ATOM 910 CA SER A 59 7.600 27.541 8.007 1.00 0.00 C ATOM 911 C SER A 59 8.938 27.585 8.750 1.00 0.00 C ATOM 912 O SER A 59 9.105 26.941 9.791 1.00 0.00 O ATOM 913 CB SER A 59 6.496 28.209 8.831 1.00 0.00 C ATOM 914 OG SER A 59 6.796 29.573 9.085 1.00 0.00 O ATOM 0 H SER A 59 6.654 25.732 8.435 1.00 0.00 H new ATOM 0 HA SER A 59 7.730 28.088 7.073 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.547 28.136 8.299 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.373 27.679 9.776 1.00 0.00 H new ATOM 0 HG SER A 59 6.073 29.974 9.611 1.00 0.00 H new ATOM 920 N LEU A 60 9.904 28.344 8.222 1.00 0.00 N ATOM 921 CA LEU A 60 11.185 28.640 8.870 1.00 0.00 C ATOM 922 C LEU A 60 11.118 29.967 9.643 1.00 0.00 C ATOM 923 O LEU A 60 10.416 30.898 9.247 1.00 0.00 O ATOM 924 CB LEU A 60 12.323 28.670 7.834 1.00 0.00 C ATOM 925 CG LEU A 60 12.390 27.472 6.867 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.635 27.615 5.992 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.460 26.128 7.595 1.00 0.00 C ATOM 0 H LEU A 60 9.813 28.782 7.305 1.00 0.00 H new ATOM 0 HA LEU A 60 11.393 27.844 9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.227 29.582 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.271 28.734 8.368 1.00 0.00 H new ATOM 0 HG LEU A 60 11.476 27.480 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.694 26.773 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.577 28.544 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.524 27.630 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.505 25.320 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.351 26.100 8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.574 26.005 8.217 1.00 0.00 H new ATOM 939 N ILE A 61 11.902 30.065 10.715 1.00 0.00 N ATOM 940 CA ILE A 61 12.027 31.252 11.576 1.00 0.00 C ATOM 941 C ILE A 61 13.496 31.560 11.868 1.00 0.00 C ATOM 942 O ILE A 61 14.359 30.683 11.791 1.00 0.00 O ATOM 943 CB ILE A 61 11.200 31.110 12.878 1.00 0.00 C ATOM 944 CG1 ILE A 61 11.720 29.984 13.807 1.00 0.00 C ATOM 945 CG2 ILE A 61 9.706 30.910 12.567 1.00 0.00 C ATOM 946 CD1 ILE A 61 12.613 30.502 14.941 1.00 0.00 C ATOM 0 H ILE A 61 12.493 29.293 11.024 1.00 0.00 H new ATOM 0 HA ILE A 61 11.611 32.100 11.032 1.00 0.00 H new ATOM 0 HB ILE A 61 11.324 32.047 13.421 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.870 29.454 14.236 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.280 29.261 13.213 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.150 30.813 13.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.332 31.769 12.009 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.576 30.006 11.972 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.944 29.664 15.555 1.00 0.00 H new ATOM 0 HD12 ILE A 61 13.481 31.007 14.518 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.049 31.203 15.557 1.00 0.00 H new ATOM 958 N GLU A 62 13.787 32.815 12.199 1.00 0.00 N ATOM 959 CA GLU A 62 15.134 33.300 12.502 1.00 0.00 C ATOM 960 C GLU A 62 15.592 32.797 13.882 1.00 0.00 C ATOM 961 O GLU A 62 15.022 33.175 14.908 1.00 0.00 O ATOM 962 CB GLU A 62 15.190 34.839 12.429 1.00 0.00 C ATOM 963 CG GLU A 62 14.691 35.445 11.102 1.00 0.00 C ATOM 964 CD GLU A 62 13.220 35.919 11.144 1.00 0.00 C ATOM 965 OE1 GLU A 62 12.916 36.998 10.576 1.00 0.00 O ATOM 966 OE2 GLU A 62 12.348 35.226 11.727 1.00 0.00 O1- ATOM 0 H GLU A 62 13.076 33.543 12.266 1.00 0.00 H new ATOM 0 HA GLU A 62 15.818 32.903 11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.595 35.249 13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.219 35.159 12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.327 36.290 10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.801 34.703 10.311 1.00 0.00 H new ATOM 973 N GLU A 63 16.627 31.959 13.928 1.00 0.00 N ATOM 974 CA GLU A 63 17.153 31.391 15.173 1.00 0.00 C ATOM 975 C GLU A 63 18.252 32.289 15.771 1.00 0.00 C ATOM 976 O GLU A 63 19.114 32.795 15.048 1.00 0.00 O ATOM 977 CB GLU A 63 17.619 29.946 14.937 1.00 0.00 C ATOM 978 CG GLU A 63 18.000 29.172 16.208 1.00 0.00 C ATOM 979 CD GLU A 63 16.898 29.194 17.282 1.00 0.00 C ATOM 980 OE1 GLU A 63 16.046 28.276 17.313 1.00 0.00 O ATOM 981 OE2 GLU A 63 16.887 30.145 18.100 1.00 0.00 O1- ATOM 0 H GLU A 63 17.130 31.651 13.096 1.00 0.00 H new ATOM 0 HA GLU A 63 16.357 31.355 15.916 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.825 29.403 14.423 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.479 29.962 14.268 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.221 28.138 15.944 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.913 29.597 16.625 1.00 0.00 H new ATOM 988 N GLN A 64 18.193 32.519 17.087 1.00 0.00 N ATOM 989 CA GLN A 64 18.811 33.679 17.758 1.00 0.00 C ATOM 990 C GLN A 64 19.650 33.316 19.003 1.00 0.00 C ATOM 991 O GLN A 64 20.044 34.195 19.774 1.00 0.00 O ATOM 992 CB GLN A 64 17.728 34.733 18.056 1.00 0.00 C ATOM 993 CG GLN A 64 17.166 35.381 16.773 1.00 0.00 C ATOM 994 CD GLN A 64 15.840 36.098 17.020 1.00 0.00 C ATOM 995 OE1 GLN A 64 15.776 37.147 17.646 1.00 0.00 O ATOM 996 NE2 GLN A 64 14.734 35.568 16.540 1.00 0.00 N ATOM 0 H GLN A 64 17.707 31.896 17.732 1.00 0.00 H new ATOM 0 HA GLN A 64 19.542 34.104 17.070 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.914 34.266 18.610 1.00 0.00 H new ATOM 0 HB3 GLN A 64 18.147 35.508 18.698 1.00 0.00 H new ATOM 0 HG2 GLN A 64 17.893 36.091 16.379 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.025 34.613 16.012 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.773 34.694 16.016 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.838 36.032 16.692 1.00 0.00 H new ATOM 1005 N ASN A 65 19.970 32.029 19.193 1.00 0.00 N ATOM 1006 CA ASN A 65 20.954 31.554 20.181 1.00 0.00 C ATOM 1007 C ASN A 65 22.406 32.003 19.846 1.00 0.00 C ATOM 1008 O ASN A 65 23.261 32.090 20.732 1.00 0.00 O ATOM 1009 CB ASN A 65 20.808 30.023 20.273 1.00 0.00 C ATOM 1010 CG ASN A 65 21.523 29.384 21.457 1.00 0.00 C ATOM 1011 OD1 ASN A 65 21.851 30.009 22.458 1.00 0.00 O ATOM 1012 ND2 ASN A 65 21.777 28.098 21.384 1.00 0.00 N ATOM 0 H ASN A 65 19.546 31.273 18.655 1.00 0.00 H new ATOM 0 HA ASN A 65 20.754 32.004 21.153 1.00 0.00 H new ATOM 0 HB2 ASN A 65 19.748 29.776 20.330 1.00 0.00 H new ATOM 0 HB3 ASN A 65 21.190 29.580 19.353 1.00 0.00 H new ATOM 0 HD21 ASN A 65 22.245 27.626 22.158 1.00 0.00 H new ATOM 0 HD22 ASN A 65 21.507 27.571 20.554 1.00 0.00 H new ATOM 1019 N ARG A 66 22.675 32.313 18.569 1.00 0.00 N ATOM 1020 CA ARG A 66 23.922 32.908 18.043 1.00 0.00 C ATOM 1021 C ARG A 66 24.223 34.312 18.601 1.00 0.00 C ATOM 1022 O ARG A 66 23.287 35.135 18.733 1.00 0.00 O ATOM 1023 CB ARG A 66 23.909 32.898 16.497 1.00 0.00 C ATOM 1024 CG ARG A 66 22.693 33.584 15.845 1.00 0.00 C ATOM 1025 CD ARG A 66 22.719 33.455 14.316 1.00 0.00 C ATOM 1026 NE ARG A 66 21.412 33.798 13.732 1.00 0.00 N ATOM 1027 CZ ARG A 66 21.103 34.786 12.916 1.00 0.00 C ATOM 1028 NH1 ARG A 66 21.970 35.673 12.519 1.00 0.00 N1+ ATOM 1029 NH2 ARG A 66 19.881 34.887 12.482 1.00 0.00 N ATOM 1030 OXT ARG A 66 25.410 34.587 18.893 1.00 0.00 O1- ATOM 0 H ARG A 66 21.992 32.147 17.830 1.00 0.00 H new ATOM 0 HA ARG A 66 24.741 32.281 18.395 1.00 0.00 H new ATOM 0 HB2 ARG A 66 24.816 33.386 16.139 1.00 0.00 H new ATOM 0 HB3 ARG A 66 23.948 31.863 16.156 1.00 0.00 H new ATOM 0 HG2 ARG A 66 21.775 33.141 16.232 1.00 0.00 H new ATOM 0 HG3 ARG A 66 22.679 34.638 16.121 1.00 0.00 H new ATOM 0 HD2 ARG A 66 23.487 34.111 13.906 1.00 0.00 H new ATOM 0 HD3 ARG A 66 22.988 32.436 14.039 1.00 0.00 H new ATOM 0 HE ARG A 66 20.639 33.187 13.995 1.00 0.00 H new ATOM 0 HH11 ARG A 66 22.937 35.621 12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.682 36.420 11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.178 34.208 12.774 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.625 35.646 11.850 1.00 0.00 H new TER 1044 ARG A 66 ATOM 1045 N GLY B -3 -16.167 13.645 2.183 1.00 0.00 N ATOM 1046 CA GLY B -3 -15.452 13.818 3.462 1.00 0.00 C ATOM 1047 C GLY B -3 -13.982 14.174 3.255 1.00 0.00 C ATOM 1048 O GLY B -3 -13.596 14.565 2.150 1.00 0.00 O ATOM 0 H1 GLY B -3 -17.017 14.245 2.176 1.00 0.00 H new ATOM 0 H2 GLY B -3 -15.544 13.919 1.397 1.00 0.00 H new ATOM 0 H3 GLY B -3 -16.446 12.649 2.073 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -15.936 14.602 4.044 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -15.523 12.899 4.044 1.00 0.00 H new ATOM 1054 N PRO B -2 -13.147 14.039 4.303 1.00 0.00 N ATOM 1055 CA PRO B -2 -11.708 14.332 4.262 1.00 0.00 C ATOM 1056 C PRO B -2 -10.911 13.488 3.249 1.00 0.00 C ATOM 1057 O PRO B -2 -11.311 12.375 2.888 1.00 0.00 O ATOM 1058 CB PRO B -2 -11.192 14.099 5.689 1.00 0.00 C ATOM 1059 CG PRO B -2 -12.433 14.298 6.556 1.00 0.00 C ATOM 1060 CD PRO B -2 -13.543 13.725 5.672 1.00 0.00 C ATOM 0 HA PRO B -2 -11.564 15.357 3.920 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -10.777 13.098 5.807 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -10.403 14.804 5.950 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -12.355 13.768 7.505 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -12.601 15.349 6.790 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -13.644 12.649 5.815 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -14.508 14.170 5.914 1.00 0.00 H new ATOM 1068 N GLY B -1 -9.764 14.012 2.815 1.00 0.00 N ATOM 1069 CA GLY B -1 -8.861 13.354 1.860 1.00 0.00 C ATOM 1070 C GLY B -1 -7.495 14.033 1.744 1.00 0.00 C ATOM 1071 O GLY B -1 -7.210 15.017 2.437 1.00 0.00 O ATOM 0 H GLY B -1 -9.427 14.924 3.122 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -8.718 12.317 2.163 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -9.334 13.337 0.878 1.00 0.00 H new ATOM 1075 N SER B 0 -6.635 13.501 0.867 1.00 0.00 N ATOM 1076 CA SER B 0 -5.272 14.000 0.569 1.00 0.00 C ATOM 1077 C SER B 0 -4.355 14.138 1.801 1.00 0.00 C ATOM 1078 O SER B 0 -3.488 15.014 1.857 1.00 0.00 O ATOM 1079 CB SER B 0 -5.329 15.291 -0.269 1.00 0.00 C ATOM 1080 OG SER B 0 -6.109 15.123 -1.444 1.00 0.00 O ATOM 0 H SER B 0 -6.873 12.675 0.318 1.00 0.00 H new ATOM 0 HA SER B 0 -4.796 13.224 -0.030 1.00 0.00 H new ATOM 0 HB2 SER B 0 -5.748 16.097 0.333 1.00 0.00 H new ATOM 0 HB3 SER B 0 -4.318 15.591 -0.544 1.00 0.00 H new ATOM 0 HG SER B 0 -6.124 15.962 -1.949 1.00 0.00 H new ATOM 1086 N MET B 1 -4.558 13.284 2.811 1.00 0.00 N ATOM 1087 CA MET B 1 -3.812 13.280 4.081 1.00 0.00 C ATOM 1088 C MET B 1 -2.318 12.925 3.923 1.00 0.00 C ATOM 1089 O MET B 1 -1.929 12.143 3.050 1.00 0.00 O ATOM 1090 CB MET B 1 -4.465 12.294 5.061 1.00 0.00 C ATOM 1091 CG MET B 1 -5.752 12.848 5.696 1.00 0.00 C ATOM 1092 SD MET B 1 -5.508 14.210 6.881 1.00 0.00 S ATOM 1093 CE MET B 1 -4.625 13.367 8.228 1.00 0.00 C ATOM 0 H MET B 1 -5.268 12.553 2.769 1.00 0.00 H new ATOM 0 HA MET B 1 -3.854 14.300 4.464 1.00 0.00 H new ATOM 0 HB2 MET B 1 -4.694 11.366 4.537 1.00 0.00 H new ATOM 0 HB3 MET B 1 -3.754 12.047 5.849 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.411 13.194 4.900 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.267 12.033 6.205 1.00 0.00 H new ATOM 0 HE1 MET B 1 -4.597 14.013 9.105 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.141 12.439 8.477 1.00 0.00 H new ATOM 0 HE3 MET B 1 -3.607 13.142 7.911 1.00 0.00 H new ATOM 1103 N CYS B 2 -1.500 13.456 4.829 1.00 0.00 N ATOM 1104 CA CYS B 2 -0.108 13.064 5.083 1.00 0.00 C ATOM 1105 C CYS B 2 0.196 13.207 6.588 1.00 0.00 C ATOM 1106 O CYS B 2 -0.319 14.106 7.260 1.00 0.00 O ATOM 1107 CB CYS B 2 0.835 13.890 4.187 1.00 0.00 C ATOM 1108 SG CYS B 2 2.611 13.825 4.578 1.00 0.00 S ATOM 0 H CYS B 2 -1.803 14.213 5.441 1.00 0.00 H new ATOM 0 HA CYS B 2 0.054 12.018 4.824 1.00 0.00 H new ATOM 0 HB2 CYS B 2 0.702 13.557 3.158 1.00 0.00 H new ATOM 0 HB3 CYS B 2 0.517 14.932 4.229 1.00 0.00 H new ATOM 1113 N MET B 3 1.009 12.294 7.124 1.00 0.00 N ATOM 1114 CA MET B 3 1.481 12.271 8.514 1.00 0.00 C ATOM 1115 C MET B 3 2.822 11.525 8.609 1.00 0.00 C ATOM 1116 O MET B 3 3.155 10.720 7.733 1.00 0.00 O ATOM 1117 CB MET B 3 0.413 11.658 9.442 1.00 0.00 C ATOM 1118 CG MET B 3 0.092 10.187 9.171 1.00 0.00 C ATOM 1119 SD MET B 3 -1.183 9.543 10.284 1.00 0.00 S ATOM 1120 CE MET B 3 -1.154 7.792 9.828 1.00 0.00 C ATOM 0 H MET B 3 1.374 11.514 6.577 1.00 0.00 H new ATOM 0 HA MET B 3 1.649 13.295 8.848 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.749 11.757 10.474 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.505 12.238 9.349 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.240 10.074 8.139 1.00 0.00 H new ATOM 0 HG3 MET B 3 1.000 9.594 9.281 1.00 0.00 H new ATOM 0 HE1 MET B 3 -1.886 7.248 10.425 1.00 0.00 H new ATOM 0 HE2 MET B 3 -1.398 7.687 8.771 1.00 0.00 H new ATOM 0 HE3 MET B 3 -0.160 7.384 10.013 1.00 0.00 H new ATOM 1130 N ALA B 4 3.591 11.789 9.666 1.00 0.00 N ATOM 1131 CA ALA B 4 4.946 11.260 9.868 1.00 0.00 C ATOM 1132 C ALA B 4 5.120 10.590 11.249 1.00 0.00 C ATOM 1133 O ALA B 4 4.188 10.538 12.057 1.00 0.00 O ATOM 1134 CB ALA B 4 5.936 12.415 9.666 1.00 0.00 C ATOM 0 H ALA B 4 3.283 12.393 10.428 1.00 0.00 H new ATOM 0 HA ALA B 4 5.138 10.470 9.142 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.953 12.052 9.810 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.832 12.811 8.656 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.727 13.204 10.388 1.00 0.00 H new ATOM 1140 N LYS B 5 6.335 10.103 11.534 1.00 0.00 N ATOM 1141 CA LYS B 5 6.781 9.719 12.884 1.00 0.00 C ATOM 1142 C LYS B 5 7.999 10.538 13.331 1.00 0.00 C ATOM 1143 O LYS B 5 8.935 10.724 12.554 1.00 0.00 O ATOM 1144 CB LYS B 5 6.984 8.195 12.971 1.00 0.00 C ATOM 1145 CG LYS B 5 8.134 7.644 12.105 1.00 0.00 C ATOM 1146 CD LYS B 5 8.124 6.111 12.140 1.00 0.00 C ATOM 1147 CE LYS B 5 9.307 5.489 11.388 1.00 0.00 C ATOM 1148 NZ LYS B 5 10.611 5.743 12.067 1.00 0.00 N1+ ATOM 0 H LYS B 5 7.050 9.961 10.821 1.00 0.00 H new ATOM 0 HA LYS B 5 5.997 9.965 13.600 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.171 7.927 14.011 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.058 7.702 12.676 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.028 7.994 11.078 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.089 8.019 12.472 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.143 5.776 13.177 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.193 5.749 11.705 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.151 4.414 11.297 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.343 5.892 10.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.372 5.260 11.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.799 6.766 12.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.572 5.380 13.041 1.00 0.00 H new ATOM 1162 N VAL B 6 7.971 11.041 14.563 1.00 0.00 N ATOM 1163 CA VAL B 6 9.079 11.782 15.199 1.00 0.00 C ATOM 1164 C VAL B 6 9.987 10.819 15.963 1.00 0.00 C ATOM 1165 O VAL B 6 9.487 9.924 16.648 1.00 0.00 O ATOM 1166 CB VAL B 6 8.553 12.897 16.120 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.649 13.550 16.973 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.912 14.015 15.294 1.00 0.00 C ATOM 0 H VAL B 6 7.158 10.946 15.171 1.00 0.00 H new ATOM 0 HA VAL B 6 9.664 12.261 14.414 1.00 0.00 H new ATOM 0 HB VAL B 6 7.833 12.410 16.778 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.209 14.327 17.598 1.00 0.00 H new ATOM 0 HG12 VAL B 6 10.115 12.795 17.606 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.402 13.992 16.321 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.545 14.795 15.961 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.653 14.437 14.615 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.080 13.610 14.717 1.00 0.00 H new ATOM 1178 N VAL B 7 11.309 11.003 15.885 1.00 0.00 N ATOM 1179 CA VAL B 7 12.304 10.222 16.642 1.00 0.00 C ATOM 1180 C VAL B 7 13.383 11.112 17.280 1.00 0.00 C ATOM 1181 O VAL B 7 13.806 12.121 16.706 1.00 0.00 O ATOM 1182 CB VAL B 7 12.871 9.079 15.768 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.706 9.568 14.579 1.00 0.00 C ATOM 1184 CG2 VAL B 7 13.715 8.098 16.584 1.00 0.00 C ATOM 0 H VAL B 7 11.730 11.711 15.284 1.00 0.00 H new ATOM 0 HA VAL B 7 11.803 9.751 17.488 1.00 0.00 H new ATOM 0 HB VAL B 7 11.987 8.574 15.377 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.070 8.711 14.013 1.00 0.00 H new ATOM 0 HG12 VAL B 7 13.089 10.194 13.934 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.554 10.148 14.944 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.093 7.312 15.930 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.553 8.628 17.036 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.101 7.654 17.368 1.00 0.00 H new ATOM 1194 N LEU B 8 13.805 10.737 18.487 1.00 0.00 N ATOM 1195 CA LEU B 8 14.813 11.406 19.322 1.00 0.00 C ATOM 1196 C LEU B 8 15.533 10.386 20.226 1.00 0.00 C ATOM 1197 O LEU B 8 15.130 9.224 20.317 1.00 0.00 O ATOM 1198 CB LEU B 8 14.133 12.548 20.109 1.00 0.00 C ATOM 1199 CG LEU B 8 13.129 12.096 21.195 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.741 12.117 22.601 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.911 13.017 21.223 1.00 0.00 C ATOM 0 H LEU B 8 13.430 9.904 18.941 1.00 0.00 H new ATOM 0 HA LEU B 8 15.590 11.851 18.700 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.907 13.152 20.582 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.612 13.194 19.402 1.00 0.00 H new ATOM 0 HG LEU B 8 12.848 11.076 20.934 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.996 11.791 23.327 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.598 11.445 22.635 1.00 0.00 H new ATOM 0 HD13 LEU B 8 14.064 13.130 22.842 1.00 0.00 H new ATOM 0 HD21 LEU B 8 11.218 12.680 21.994 1.00 0.00 H new ATOM 0 HD22 LEU B 8 12.230 14.036 21.442 1.00 0.00 H new ATOM 0 HD23 LEU B 8 11.414 12.993 20.253 1.00 0.00 H new ATOM 1213 N THR B 9 16.606 10.811 20.898 1.00 0.00 N ATOM 1214 CA THR B 9 17.413 9.954 21.795 1.00 0.00 C ATOM 1215 C THR B 9 17.667 10.638 23.143 1.00 0.00 C ATOM 1216 O THR B 9 18.061 11.807 23.201 1.00 0.00 O ATOM 1217 CB THR B 9 18.740 9.548 21.133 1.00 0.00 C ATOM 1218 OG1 THR B 9 18.515 9.027 19.840 1.00 0.00 O ATOM 1219 CG2 THR B 9 19.480 8.455 21.909 1.00 0.00 C ATOM 0 H THR B 9 16.950 11.770 20.839 1.00 0.00 H new ATOM 0 HA THR B 9 16.837 9.048 21.982 1.00 0.00 H new ATOM 0 HB THR B 9 19.339 10.458 21.109 1.00 0.00 H new ATOM 0 HG1 THR B 9 19.290 9.218 19.271 1.00 0.00 H new ATOM 0 HG21 THR B 9 20.409 8.209 21.395 1.00 0.00 H new ATOM 0 HG22 THR B 9 19.705 8.811 22.914 1.00 0.00 H new ATOM 0 HG23 THR B 9 18.853 7.565 21.971 1.00 0.00 H new ATOM 1227 N LYS B 10 17.449 9.906 24.243 1.00 0.00 N ATOM 1228 CA LYS B 10 17.673 10.338 25.635 1.00 0.00 C ATOM 1229 C LYS B 10 19.160 10.442 25.994 1.00 0.00 C ATOM 1230 O LYS B 10 20.019 9.833 25.350 1.00 0.00 O ATOM 1231 CB LYS B 10 16.974 9.349 26.593 1.00 0.00 C ATOM 1232 CG LYS B 10 15.436 9.367 26.472 1.00 0.00 C ATOM 1233 CD LYS B 10 14.770 8.291 27.348 1.00 0.00 C ATOM 1234 CE LYS B 10 15.027 8.515 28.846 1.00 0.00 C ATOM 1235 NZ LYS B 10 14.419 7.448 29.674 1.00 0.00 N1+ ATOM 0 H LYS B 10 17.095 8.951 24.188 1.00 0.00 H new ATOM 0 HA LYS B 10 17.251 11.338 25.738 1.00 0.00 H new ATOM 0 HB2 LYS B 10 17.336 8.341 26.391 1.00 0.00 H new ATOM 0 HB3 LYS B 10 17.254 9.588 27.619 1.00 0.00 H new ATOM 0 HG2 LYS B 10 15.062 10.350 26.760 1.00 0.00 H new ATOM 0 HG3 LYS B 10 15.154 9.211 25.431 1.00 0.00 H new ATOM 0 HD2 LYS B 10 13.696 8.289 27.163 1.00 0.00 H new ATOM 0 HD3 LYS B 10 15.145 7.309 27.061 1.00 0.00 H new ATOM 0 HE2 LYS B 10 16.101 8.550 29.029 1.00 0.00 H new ATOM 0 HE3 LYS B 10 14.621 9.482 29.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 14.614 7.634 30.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 13.391 7.431 29.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 14.825 6.528 29.407 1.00 0.00 H new ATOM 1249 N ALA B 11 19.451 11.123 27.102 1.00 0.00 N ATOM 1250 CA ALA B 11 20.786 11.171 27.713 1.00 0.00 C ATOM 1251 C ALA B 11 21.303 9.786 28.162 1.00 0.00 C ATOM 1252 O ALA B 11 22.510 9.534 28.174 1.00 0.00 O ATOM 1253 CB ALA B 11 20.720 12.127 28.907 1.00 0.00 C ATOM 0 H ALA B 11 18.756 11.668 27.612 1.00 0.00 H new ATOM 0 HA ALA B 11 21.494 11.521 26.962 1.00 0.00 H new ATOM 0 HB1 ALA B 11 21.699 12.184 29.382 1.00 0.00 H new ATOM 0 HB2 ALA B 11 20.426 13.119 28.563 1.00 0.00 H new ATOM 0 HB3 ALA B 11 19.988 11.760 29.627 1.00 0.00 H new ATOM 1259 N ASP B 12 20.391 8.860 28.474 1.00 0.00 N ATOM 1260 CA ASP B 12 20.658 7.446 28.781 1.00 0.00 C ATOM 1261 C ASP B 12 21.097 6.614 27.549 1.00 0.00 C ATOM 1262 O ASP B 12 21.446 5.437 27.684 1.00 0.00 O ATOM 1263 CB ASP B 12 19.371 6.843 29.375 1.00 0.00 C ATOM 1264 CG ASP B 12 18.854 7.523 30.660 1.00 0.00 C ATOM 1265 OD1 ASP B 12 19.667 8.026 31.476 1.00 0.00 O ATOM 1266 OD2 ASP B 12 17.615 7.525 30.867 1.00 0.00 O1- ATOM 0 H ASP B 12 19.397 9.084 28.522 1.00 0.00 H new ATOM 0 HA ASP B 12 21.491 7.409 29.483 1.00 0.00 H new ATOM 0 HB2 ASP B 12 18.587 6.888 28.620 1.00 0.00 H new ATOM 0 HB3 ASP B 12 19.548 5.789 29.588 1.00 0.00 H new ATOM 1271 N GLY B 13 21.047 7.197 26.343 1.00 0.00 N ATOM 1272 CA GLY B 13 21.242 6.515 25.056 1.00 0.00 C ATOM 1273 C GLY B 13 19.990 5.778 24.549 1.00 0.00 C ATOM 1274 O GLY B 13 20.051 5.091 23.526 1.00 0.00 O ATOM 0 H GLY B 13 20.863 8.194 26.233 1.00 0.00 H new ATOM 0 HA2 GLY B 13 21.548 7.248 24.310 1.00 0.00 H new ATOM 0 HA3 GLY B 13 22.059 5.800 25.154 1.00 0.00 H new ATOM 1278 N GLY B 14 18.857 5.895 25.249 1.00 0.00 N ATOM 1279 CA GLY B 14 17.592 5.243 24.905 1.00 0.00 C ATOM 1280 C GLY B 14 16.825 5.985 23.812 1.00 0.00 C ATOM 1281 O GLY B 14 16.616 7.200 23.914 1.00 0.00 O ATOM 0 H GLY B 14 18.794 6.462 26.094 1.00 0.00 H new ATOM 0 HA2 GLY B 14 17.791 4.223 24.575 1.00 0.00 H new ATOM 0 HA3 GLY B 14 16.969 5.173 25.797 1.00 0.00 H new ATOM 1285 N ARG B 15 16.386 5.270 22.767 1.00 0.00 N ATOM 1286 CA ARG B 15 15.579 5.836 21.670 1.00 0.00 C ATOM 1287 C ARG B 15 14.143 6.106 22.136 1.00 0.00 C ATOM 1288 O ARG B 15 13.567 5.301 22.869 1.00 0.00 O ATOM 1289 CB ARG B 15 15.604 4.888 20.451 1.00 0.00 C ATOM 1290 CG ARG B 15 15.361 5.626 19.118 1.00 0.00 C ATOM 1291 CD ARG B 15 16.615 6.378 18.627 1.00 0.00 C ATOM 1292 NE ARG B 15 17.648 5.437 18.139 1.00 0.00 N ATOM 1293 CZ ARG B 15 18.961 5.568 18.200 1.00 0.00 C ATOM 1294 NH1 ARG B 15 19.547 6.595 18.744 1.00 0.00 N1+ ATOM 1295 NH2 ARG B 15 19.733 4.636 17.714 1.00 0.00 N ATOM 0 H ARG B 15 16.581 4.275 22.656 1.00 0.00 H new ATOM 0 HA ARG B 15 16.012 6.790 21.370 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.568 4.381 20.410 1.00 0.00 H new ATOM 0 HB3 ARG B 15 14.843 4.118 20.579 1.00 0.00 H new ATOM 0 HG2 ARG B 15 15.051 4.908 18.359 1.00 0.00 H new ATOM 0 HG3 ARG B 15 14.541 6.334 19.241 1.00 0.00 H new ATOM 0 HD2 ARG B 15 16.340 7.066 17.828 1.00 0.00 H new ATOM 0 HD3 ARG B 15 17.022 6.980 19.439 1.00 0.00 H new ATOM 0 HE ARG B 15 17.304 4.582 17.702 1.00 0.00 H new ATOM 0 HH11 ARG B 15 18.988 7.346 19.149 1.00 0.00 H new ATOM 0 HH12 ARG B 15 20.565 6.649 18.766 1.00 0.00 H new ATOM 0 HH21 ARG B 15 19.323 3.806 17.287 1.00 0.00 H new ATOM 0 HH22 ARG B 15 20.747 4.738 17.761 1.00 0.00 H new ATOM 1309 N VAL B 16 13.544 7.204 21.664 1.00 0.00 N ATOM 1310 CA VAL B 16 12.139 7.586 21.891 1.00 0.00 C ATOM 1311 C VAL B 16 11.505 7.960 20.549 1.00 0.00 C ATOM 1312 O VAL B 16 12.101 8.695 19.763 1.00 0.00 O ATOM 1313 CB VAL B 16 12.033 8.730 22.920 1.00 0.00 C ATOM 1314 CG1 VAL B 16 10.632 9.350 23.012 1.00 0.00 C ATOM 1315 CG2 VAL B 16 12.417 8.245 24.324 1.00 0.00 C ATOM 0 H VAL B 16 14.043 7.882 21.088 1.00 0.00 H new ATOM 0 HA VAL B 16 11.593 6.742 22.313 1.00 0.00 H new ATOM 0 HB VAL B 16 12.725 9.492 22.561 1.00 0.00 H new ATOM 0 HG11 VAL B 16 10.635 10.147 23.756 1.00 0.00 H new ATOM 0 HG12 VAL B 16 10.351 9.760 22.042 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.914 8.584 23.304 1.00 0.00 H new ATOM 0 HG21 VAL B 16 12.334 9.071 25.030 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.747 7.440 24.627 1.00 0.00 H new ATOM 0 HG23 VAL B 16 13.443 7.878 24.314 1.00 0.00 H new ATOM 1325 N GLU B 17 10.306 7.443 20.276 1.00 0.00 N ATOM 1326 CA GLU B 17 9.619 7.576 18.989 1.00 0.00 C ATOM 1327 C GLU B 17 8.102 7.802 19.171 1.00 0.00 C ATOM 1328 O GLU B 17 7.474 7.189 20.037 1.00 0.00 O ATOM 1329 CB GLU B 17 9.926 6.319 18.158 1.00 0.00 C ATOM 1330 CG GLU B 17 9.302 6.328 16.760 1.00 0.00 C ATOM 1331 CD GLU B 17 9.799 5.144 15.913 1.00 0.00 C ATOM 1332 OE1 GLU B 17 9.617 3.970 16.323 1.00 0.00 O ATOM 1333 OE2 GLU B 17 10.357 5.374 14.813 1.00 0.00 O1- ATOM 0 H GLU B 17 9.772 6.907 20.960 1.00 0.00 H new ATOM 0 HA GLU B 17 9.982 8.458 18.461 1.00 0.00 H new ATOM 0 HB2 GLU B 17 11.007 6.215 18.061 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.568 5.443 18.698 1.00 0.00 H new ATOM 0 HG2 GLU B 17 8.216 6.285 16.845 1.00 0.00 H new ATOM 0 HG3 GLU B 17 9.546 7.264 16.258 1.00 0.00 H new ATOM 1340 N ILE B 18 7.516 8.680 18.350 1.00 0.00 N ATOM 1341 CA ILE B 18 6.088 9.041 18.351 1.00 0.00 C ATOM 1342 C ILE B 18 5.527 8.869 16.936 1.00 0.00 C ATOM 1343 O ILE B 18 5.995 9.523 16.003 1.00 0.00 O ATOM 1344 CB ILE B 18 5.872 10.488 18.855 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.415 10.712 20.287 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.379 10.872 18.815 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.672 12.191 20.590 1.00 0.00 C ATOM 0 H ILE B 18 8.043 9.182 17.635 1.00 0.00 H new ATOM 0 HA ILE B 18 5.557 8.380 19.036 1.00 0.00 H new ATOM 0 HB ILE B 18 6.437 11.128 18.177 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.702 10.315 21.009 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.342 10.152 20.413 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.256 11.894 19.174 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.012 10.801 17.791 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.811 10.193 19.451 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.052 12.293 21.607 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.406 12.584 19.887 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.741 12.749 20.493 1.00 0.00 H new ATOM 1359 N GLY B 19 4.522 8.004 16.776 1.00 0.00 N ATOM 1360 CA GLY B 19 3.829 7.780 15.500 1.00 0.00 C ATOM 1361 C GLY B 19 2.649 8.728 15.253 1.00 0.00 C ATOM 1362 O GLY B 19 2.200 9.435 16.158 1.00 0.00 O ATOM 0 H GLY B 19 4.160 7.431 17.538 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.545 7.889 14.686 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.468 6.752 15.471 1.00 0.00 H new ATOM 1366 N ASP B 20 2.115 8.698 14.030 1.00 0.00 N ATOM 1367 CA ASP B 20 0.872 9.376 13.612 1.00 0.00 C ATOM 1368 C ASP B 20 0.884 10.909 13.823 1.00 0.00 C ATOM 1369 O ASP B 20 -0.140 11.538 14.106 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.354 8.675 14.233 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.344 7.137 14.114 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -0.852 6.462 15.040 1.00 0.00 O ATOM 1373 OD2 ASP B 20 0.124 6.588 13.089 1.00 0.00 O1- ATOM 0 H ASP B 20 2.551 8.180 13.267 1.00 0.00 H new ATOM 0 HA ASP B 20 0.799 9.275 12.529 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.414 8.944 15.288 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.256 9.057 13.754 1.00 0.00 H new ATOM 1378 N VAL B 21 2.061 11.530 13.702 1.00 0.00 N ATOM 1379 CA VAL B 21 2.310 12.964 13.908 1.00 0.00 C ATOM 1380 C VAL B 21 1.788 13.802 12.738 1.00 0.00 C ATOM 1381 O VAL B 21 2.170 13.586 11.586 1.00 0.00 O ATOM 1382 CB VAL B 21 3.809 13.237 14.147 1.00 0.00 C ATOM 1383 CG1 VAL B 21 4.108 14.733 14.308 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.282 12.512 15.410 1.00 0.00 C ATOM 0 H VAL B 21 2.909 11.024 13.445 1.00 0.00 H new ATOM 0 HA VAL B 21 1.760 13.263 14.800 1.00 0.00 H new ATOM 0 HB VAL B 21 4.340 12.869 13.269 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.176 14.875 14.474 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.808 15.263 13.404 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.553 15.125 15.160 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.342 12.712 15.569 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.713 12.868 16.269 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.129 11.439 15.293 1.00 0.00 H new ATOM 1394 N LEU B 22 0.932 14.778 13.049 1.00 0.00 N ATOM 1395 CA LEU B 22 0.293 15.683 12.091 1.00 0.00 C ATOM 1396 C LEU B 22 1.069 17.004 11.954 1.00 0.00 C ATOM 1397 O LEU B 22 1.245 17.519 10.847 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.157 15.857 12.581 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.186 16.529 11.655 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -2.005 18.040 11.514 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.225 15.879 10.273 1.00 0.00 C ATOM 0 H LEU B 22 0.654 14.967 14.012 1.00 0.00 H new ATOM 0 HA LEU B 22 0.294 15.278 11.079 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.539 14.868 12.833 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.124 16.432 13.507 1.00 0.00 H new ATOM 0 HG LEU B 22 -3.143 16.370 12.152 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -2.769 18.437 10.846 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -2.099 18.511 12.493 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -1.018 18.251 11.103 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.965 16.386 9.653 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -1.244 15.960 9.805 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -2.494 14.827 10.373 1.00 0.00 H new ATOM 1413 N GLU B 23 1.590 17.527 13.070 1.00 0.00 N ATOM 1414 CA GLU B 23 2.384 18.763 13.113 1.00 0.00 C ATOM 1415 C GLU B 23 3.456 18.749 14.219 1.00 0.00 C ATOM 1416 O GLU B 23 3.328 18.064 15.240 1.00 0.00 O ATOM 1417 CB GLU B 23 1.455 19.991 13.245 1.00 0.00 C ATOM 1418 CG GLU B 23 0.653 20.038 14.558 1.00 0.00 C ATOM 1419 CD GLU B 23 -0.254 21.279 14.637 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.443 21.147 15.027 1.00 0.00 O ATOM 1421 OE2 GLU B 23 0.199 22.408 14.323 1.00 0.00 O1- ATOM 0 H GLU B 23 1.470 17.096 13.986 1.00 0.00 H new ATOM 0 HA GLU B 23 2.927 18.831 12.170 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.056 20.897 13.167 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.758 19.997 12.407 1.00 0.00 H new ATOM 0 HG2 GLU B 23 0.044 19.138 14.643 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.341 20.038 15.403 1.00 0.00 H new ATOM 1428 N VAL B 24 4.519 19.535 14.014 1.00 0.00 N ATOM 1429 CA VAL B 24 5.633 19.717 14.962 1.00 0.00 C ATOM 1430 C VAL B 24 6.044 21.192 14.978 1.00 0.00 C ATOM 1431 O VAL B 24 6.153 21.811 13.919 1.00 0.00 O ATOM 1432 CB VAL B 24 6.848 18.817 14.634 1.00 0.00 C ATOM 1433 CG1 VAL B 24 7.943 18.884 15.706 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.462 17.340 14.473 1.00 0.00 C ATOM 0 H VAL B 24 4.635 20.080 13.160 1.00 0.00 H new ATOM 0 HA VAL B 24 5.285 19.415 15.950 1.00 0.00 H new ATOM 0 HB VAL B 24 7.226 19.211 13.691 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.770 18.233 15.423 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.303 19.909 15.795 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.536 18.558 16.663 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.352 16.754 14.244 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.017 16.977 15.400 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.742 17.239 13.661 1.00 0.00 H new ATOM 1444 N ARG B 25 6.282 21.749 16.171 1.00 0.00 N ATOM 1445 CA ARG B 25 6.747 23.129 16.407 1.00 0.00 C ATOM 1446 C ARG B 25 8.097 23.153 17.116 1.00 0.00 C ATOM 1447 O ARG B 25 8.341 22.330 18.000 1.00 0.00 O ATOM 1448 CB ARG B 25 5.720 23.905 17.253 1.00 0.00 C ATOM 1449 CG ARG B 25 4.475 24.347 16.469 1.00 0.00 C ATOM 1450 CD ARG B 25 3.441 25.031 17.381 1.00 0.00 C ATOM 1451 NE ARG B 25 4.005 26.195 18.094 1.00 0.00 N ATOM 1452 CZ ARG B 25 3.878 27.477 17.835 1.00 0.00 C ATOM 1453 NH1 ARG B 25 3.136 27.927 16.861 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 4.516 28.341 18.572 1.00 0.00 N ATOM 0 H ARG B 25 6.151 21.231 17.040 1.00 0.00 H new ATOM 0 HA ARG B 25 6.857 23.604 15.432 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.408 23.281 18.090 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.203 24.786 17.675 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.770 25.033 15.675 1.00 0.00 H new ATOM 0 HG3 ARG B 25 4.020 23.480 15.989 1.00 0.00 H new ATOM 0 HD2 ARG B 25 2.589 25.352 16.783 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.067 24.309 18.107 1.00 0.00 H new ATOM 0 HE ARG B 25 4.578 25.971 18.908 1.00 0.00 H new ATOM 0 HH11 ARG B 25 2.626 27.275 16.265 1.00 0.00 H new ATOM 0 HH12 ARG B 25 3.066 28.931 16.695 1.00 0.00 H new ATOM 0 HH21 ARG B 25 5.106 28.020 19.340 1.00 0.00 H new ATOM 0 HH22 ARG B 25 4.426 29.339 18.381 1.00 0.00 H new ATOM 1468 N ALA B 26 8.923 24.144 16.803 1.00 0.00 N ATOM 1469 CA ALA B 26 10.066 24.558 17.616 1.00 0.00 C ATOM 1470 C ALA B 26 9.762 25.910 18.290 1.00 0.00 C ATOM 1471 O ALA B 26 9.604 26.940 17.626 1.00 0.00 O ATOM 1472 CB ALA B 26 11.319 24.606 16.736 1.00 0.00 C ATOM 0 H ALA B 26 8.815 24.699 15.954 1.00 0.00 H new ATOM 0 HA ALA B 26 10.251 23.838 18.413 1.00 0.00 H new ATOM 0 HB1 ALA B 26 12.174 24.914 17.337 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.507 23.618 16.317 1.00 0.00 H new ATOM 0 HB3 ALA B 26 11.168 25.320 15.927 1.00 0.00 H new ATOM 1478 N GLU B 27 9.677 25.901 19.620 1.00 0.00 N ATOM 1479 CA GLU B 27 9.598 27.099 20.468 1.00 0.00 C ATOM 1480 C GLU B 27 11.004 27.689 20.725 1.00 0.00 C ATOM 1481 O GLU B 27 12.018 27.180 20.239 1.00 0.00 O ATOM 1482 CB GLU B 27 8.899 26.747 21.797 1.00 0.00 C ATOM 1483 CG GLU B 27 7.550 26.012 21.683 1.00 0.00 C ATOM 1484 CD GLU B 27 6.475 26.736 20.852 1.00 0.00 C ATOM 1485 OE1 GLU B 27 6.551 27.962 20.591 1.00 0.00 O ATOM 1486 OE2 GLU B 27 5.485 26.080 20.450 1.00 0.00 O1- ATOM 0 H GLU B 27 9.660 25.034 20.158 1.00 0.00 H new ATOM 0 HA GLU B 27 9.013 27.859 19.950 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.576 26.130 22.387 1.00 0.00 H new ATOM 0 HB3 GLU B 27 8.740 27.670 22.355 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.726 25.030 21.243 1.00 0.00 H new ATOM 0 HG3 GLU B 27 7.159 25.846 22.687 1.00 0.00 H new ATOM 1493 N GLY B 28 11.090 28.757 21.531 1.00 0.00 N ATOM 1494 CA GLY B 28 12.352 29.433 21.873 1.00 0.00 C ATOM 1495 C GLY B 28 13.378 28.596 22.662 1.00 0.00 C ATOM 1496 O GLY B 28 14.524 29.020 22.811 1.00 0.00 O ATOM 0 H GLY B 28 10.274 29.182 21.970 1.00 0.00 H new ATOM 0 HA2 GLY B 28 12.822 29.770 20.949 1.00 0.00 H new ATOM 0 HA3 GLY B 28 12.117 30.325 22.454 1.00 0.00 H new ATOM 1500 N GLY B 29 12.993 27.411 23.158 1.00 0.00 N ATOM 1501 CA GLY B 29 13.881 26.485 23.879 1.00 0.00 C ATOM 1502 C GLY B 29 13.380 25.037 23.995 1.00 0.00 C ATOM 1503 O GLY B 29 13.827 24.322 24.893 1.00 0.00 O ATOM 0 H GLY B 29 12.039 27.062 23.068 1.00 0.00 H new ATOM 0 HA2 GLY B 29 14.850 26.476 23.379 1.00 0.00 H new ATOM 0 HA3 GLY B 29 14.044 26.875 24.884 1.00 0.00 H new ATOM 1507 N ALA B 30 12.446 24.601 23.142 1.00 0.00 N ATOM 1508 CA ALA B 30 11.830 23.265 23.191 1.00 0.00 C ATOM 1509 C ALA B 30 11.199 22.865 21.845 1.00 0.00 C ATOM 1510 O ALA B 30 10.771 23.722 21.067 1.00 0.00 O ATOM 1511 CB ALA B 30 10.759 23.246 24.291 1.00 0.00 C ATOM 0 H ALA B 30 12.088 25.178 22.381 1.00 0.00 H new ATOM 0 HA ALA B 30 12.615 22.541 23.409 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.298 22.259 24.333 1.00 0.00 H new ATOM 0 HB2 ALA B 30 11.221 23.472 25.252 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.997 23.993 24.070 1.00 0.00 H new ATOM 1517 N VAL B 31 11.065 21.560 21.600 1.00 0.00 N ATOM 1518 CA VAL B 31 10.222 20.997 20.524 1.00 0.00 C ATOM 1519 C VAL B 31 8.880 20.522 21.087 1.00 0.00 C ATOM 1520 O VAL B 31 8.834 19.958 22.182 1.00 0.00 O ATOM 1521 CB VAL B 31 10.945 19.878 19.750 1.00 0.00 C ATOM 1522 CG1 VAL B 31 10.038 19.173 18.730 1.00 0.00 C ATOM 1523 CG2 VAL B 31 12.129 20.460 18.973 1.00 0.00 C ATOM 0 H VAL B 31 11.544 20.846 22.149 1.00 0.00 H new ATOM 0 HA VAL B 31 10.025 21.792 19.805 1.00 0.00 H new ATOM 0 HB VAL B 31 11.265 19.153 20.499 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.604 18.395 18.217 1.00 0.00 H new ATOM 0 HG12 VAL B 31 9.190 18.724 19.247 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.676 19.899 18.002 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.634 19.662 18.429 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.769 21.209 18.268 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.828 20.924 19.669 1.00 0.00 H new ATOM 1533 N ARG B 32 7.794 20.714 20.328 1.00 0.00 N ATOM 1534 CA ARG B 32 6.436 20.211 20.606 1.00 0.00 C ATOM 1535 C ARG B 32 5.899 19.409 19.423 1.00 0.00 C ATOM 1536 O ARG B 32 6.050 19.819 18.274 1.00 0.00 O ATOM 1537 CB ARG B 32 5.503 21.390 20.925 1.00 0.00 C ATOM 1538 CG ARG B 32 5.791 22.022 22.299 1.00 0.00 C ATOM 1539 CD ARG B 32 5.047 23.347 22.475 1.00 0.00 C ATOM 1540 NE ARG B 32 3.580 23.188 22.403 1.00 0.00 N ATOM 1541 CZ ARG B 32 2.698 24.041 21.926 1.00 0.00 C ATOM 1542 NH1 ARG B 32 3.015 25.180 21.373 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 1.440 23.731 22.004 1.00 0.00 N ATOM 0 H ARG B 32 7.837 21.250 19.461 1.00 0.00 H new ATOM 0 HA ARG B 32 6.479 19.546 21.468 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.608 22.150 20.151 1.00 0.00 H new ATOM 0 HB3 ARG B 32 4.469 21.047 20.897 1.00 0.00 H new ATOM 0 HG2 ARG B 32 5.495 21.330 23.088 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.863 22.189 22.406 1.00 0.00 H new ATOM 0 HD2 ARG B 32 5.315 23.785 23.437 1.00 0.00 H new ATOM 0 HD3 ARG B 32 5.371 24.047 21.705 1.00 0.00 H new ATOM 0 HE ARG B 32 3.205 22.312 22.767 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.995 25.452 21.292 1.00 0.00 H new ATOM 0 HH12 ARG B 32 2.283 25.798 21.022 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.158 22.846 22.426 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.733 24.372 21.643 1.00 0.00 H new ATOM 1557 N VAL B 33 5.261 18.276 19.703 1.00 0.00 N ATOM 1558 CA VAL B 33 4.798 17.266 18.730 1.00 0.00 C ATOM 1559 C VAL B 33 3.309 16.997 18.945 1.00 0.00 C ATOM 1560 O VAL B 33 2.901 16.783 20.089 1.00 0.00 O ATOM 1561 CB VAL B 33 5.594 15.952 18.905 1.00 0.00 C ATOM 1562 CG1 VAL B 33 5.134 14.859 17.940 1.00 0.00 C ATOM 1563 CG2 VAL B 33 7.107 16.144 18.715 1.00 0.00 C ATOM 0 H VAL B 33 5.037 18.015 20.663 1.00 0.00 H new ATOM 0 HA VAL B 33 4.959 17.644 17.721 1.00 0.00 H new ATOM 0 HB VAL B 33 5.394 15.645 19.932 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.724 13.957 18.104 1.00 0.00 H new ATOM 0 HG12 VAL B 33 4.081 14.640 18.114 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.269 15.200 16.913 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.615 15.189 18.849 1.00 0.00 H new ATOM 0 HG22 VAL B 33 7.303 16.521 17.711 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.478 16.859 19.450 1.00 0.00 H new ATOM 1573 N THR B 34 2.499 16.980 17.878 1.00 0.00 N ATOM 1574 CA THR B 34 1.043 16.758 17.965 1.00 0.00 C ATOM 1575 C THR B 34 0.547 15.748 16.920 1.00 0.00 C ATOM 1576 O THR B 34 0.845 15.871 15.728 1.00 0.00 O ATOM 1577 CB THR B 34 0.276 18.088 17.857 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.661 18.985 18.881 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.244 17.920 17.982 1.00 0.00 C ATOM 0 H THR B 34 2.833 17.120 16.925 1.00 0.00 H new ATOM 0 HA THR B 34 0.843 16.326 18.945 1.00 0.00 H new ATOM 0 HB THR B 34 0.525 18.472 16.868 1.00 0.00 H new ATOM 0 HG1 THR B 34 0.160 19.822 18.788 1.00 0.00 H new ATOM 0 HG21 THR B 34 -1.726 18.894 17.897 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.604 17.267 17.187 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.483 17.480 18.950 1.00 0.00 H new ATOM 1587 N THR B 35 -0.211 14.740 17.359 1.00 0.00 N ATOM 1588 CA THR B 35 -0.832 13.707 16.497 1.00 0.00 C ATOM 1589 C THR B 35 -2.137 14.182 15.842 1.00 0.00 C ATOM 1590 O THR B 35 -2.755 15.149 16.286 1.00 0.00 O ATOM 1591 CB THR B 35 -1.083 12.400 17.263 1.00 0.00 C ATOM 1592 OG1 THR B 35 -2.134 12.570 18.191 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.155 11.908 18.010 1.00 0.00 C ATOM 0 H THR B 35 -0.421 14.608 18.348 1.00 0.00 H new ATOM 0 HA THR B 35 -0.110 13.518 15.702 1.00 0.00 H new ATOM 0 HB THR B 35 -1.348 11.651 16.517 1.00 0.00 H new ATOM 0 HG1 THR B 35 -2.285 11.729 18.672 1.00 0.00 H new ATOM 0 HG21 THR B 35 -0.080 10.981 18.533 1.00 0.00 H new ATOM 0 HG22 THR B 35 0.962 11.729 17.299 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.468 12.663 18.731 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.613 13.467 14.811 1.00 0.00 N ATOM 1602 CA LEU B 36 -3.942 13.721 14.225 1.00 0.00 C ATOM 1603 C LEU B 36 -5.113 13.387 15.174 1.00 0.00 C ATOM 1604 O LEU B 36 -6.243 13.825 14.940 1.00 0.00 O ATOM 1605 CB LEU B 36 -4.071 13.052 12.838 1.00 0.00 C ATOM 1606 CG LEU B 36 -4.512 11.580 12.802 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -4.780 11.163 11.355 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -3.446 10.650 13.374 1.00 0.00 C ATOM 0 H LEU B 36 -2.099 12.708 14.364 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.020 14.798 14.075 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.782 13.631 12.249 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.106 13.127 12.337 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.412 11.496 13.411 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.093 10.119 11.329 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.568 11.788 10.936 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.870 11.284 10.767 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.800 9.620 13.329 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -2.530 10.745 12.791 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.246 10.920 14.411 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.847 12.645 16.254 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.771 12.401 17.373 1.00 0.00 C ATOM 1622 C PHE B 37 -5.767 13.520 18.439 1.00 0.00 C ATOM 1623 O PHE B 37 -6.445 13.407 19.465 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.454 11.029 17.995 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.391 9.874 17.011 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -6.544 9.488 16.300 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -4.183 9.183 16.799 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -6.491 8.423 15.381 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -4.134 8.115 15.887 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.284 7.731 15.176 1.00 0.00 C ATOM 0 H PHE B 37 -3.949 12.179 16.380 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.784 12.403 16.969 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.498 11.095 18.515 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.211 10.805 18.747 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -7.474 10.012 16.461 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -3.293 9.474 17.338 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -7.377 8.137 14.833 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -3.206 7.585 15.731 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.241 6.909 14.476 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.011 14.599 18.202 1.00 0.00 N ATOM 1641 CA ASP B 38 -4.822 15.750 19.100 1.00 0.00 C ATOM 1642 C ASP B 38 -4.164 15.408 20.459 1.00 0.00 C ATOM 1643 O ASP B 38 -4.406 16.068 21.469 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.122 16.573 19.200 1.00 0.00 C ATOM 1645 CG ASP B 38 -5.932 18.004 19.737 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -6.911 18.571 20.288 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -4.838 18.600 19.561 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.486 14.700 17.333 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.071 16.394 18.643 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -6.580 16.627 18.212 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -6.822 16.045 19.848 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.328 14.360 20.496 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.417 14.095 21.620 1.00 0.00 C ATOM 1654 C GLU B 39 -1.109 14.884 21.445 1.00 0.00 C ATOM 1655 O GLU B 39 -0.597 15.003 20.327 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.126 12.593 21.771 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.394 11.776 22.050 1.00 0.00 C ATOM 1658 CD GLU B 39 -3.090 10.359 22.575 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -3.905 9.822 23.365 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -2.051 9.760 22.196 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.264 13.671 19.746 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.910 14.427 22.534 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.653 12.224 20.861 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.415 12.443 22.583 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.008 12.305 22.779 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.981 11.701 21.134 1.00 0.00 H new ATOM 1667 N GLU B 40 -0.551 15.416 22.538 1.00 0.00 N ATOM 1668 CA GLU B 40 0.617 16.314 22.533 1.00 0.00 C ATOM 1669 C GLU B 40 1.786 15.794 23.393 1.00 0.00 C ATOM 1670 O GLU B 40 1.589 15.257 24.488 1.00 0.00 O ATOM 1671 CB GLU B 40 0.185 17.727 22.965 1.00 0.00 C ATOM 1672 CG GLU B 40 1.310 18.775 22.913 1.00 0.00 C ATOM 1673 CD GLU B 40 0.845 20.212 23.245 1.00 0.00 C ATOM 1674 OE1 GLU B 40 -0.290 20.425 23.737 1.00 0.00 O ATOM 1675 OE2 GLU B 40 1.639 21.162 23.031 1.00 0.00 O1- ATOM 0 H GLU B 40 -0.906 15.231 23.476 1.00 0.00 H new ATOM 0 HA GLU B 40 0.999 16.349 21.513 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -0.633 18.056 22.324 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.206 17.680 23.981 1.00 0.00 H new ATOM 0 HG2 GLU B 40 2.094 18.487 23.613 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.753 18.768 21.917 1.00 0.00 H new ATOM 1682 N HIS B 41 3.015 16.005 22.913 1.00 0.00 N ATOM 1683 CA HIS B 41 4.281 15.707 23.598 1.00 0.00 C ATOM 1684 C HIS B 41 5.237 16.908 23.488 1.00 0.00 C ATOM 1685 O HIS B 41 5.192 17.644 22.497 1.00 0.00 O ATOM 1686 CB HIS B 41 4.920 14.446 22.998 1.00 0.00 C ATOM 1687 CG HIS B 41 3.995 13.258 22.876 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.763 12.294 23.862 1.00 0.00 N ATOM 1689 CD2 HIS B 41 3.212 12.982 21.792 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.857 11.447 23.335 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.502 11.841 22.100 1.00 0.00 N ATOM 0 H HIS B 41 3.164 16.409 21.988 1.00 0.00 H new ATOM 0 HA HIS B 41 4.081 15.523 24.654 1.00 0.00 H new ATOM 0 HB2 HIS B 41 5.307 14.689 22.009 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.773 14.161 23.613 1.00 0.00 H new ATOM 0 HD2 HIS B 41 3.159 13.547 20.873 1.00 0.00 H new ATOM 0 HE1 HIS B 41 2.470 10.572 23.836 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.825 11.376 21.495 1.00 0.00 H new ATOM 1699 N ALA B 42 6.108 17.113 24.474 1.00 0.00 N ATOM 1700 CA ALA B 42 7.059 18.235 24.504 1.00 0.00 C ATOM 1701 C ALA B 42 8.435 17.848 25.085 1.00 0.00 C ATOM 1702 O ALA B 42 8.527 17.034 26.010 1.00 0.00 O ATOM 1703 CB ALA B 42 6.435 19.406 25.270 1.00 0.00 C ATOM 0 H ALA B 42 6.178 16.500 25.287 1.00 0.00 H new ATOM 0 HA ALA B 42 7.254 18.535 23.474 1.00 0.00 H new ATOM 0 HB1 ALA B 42 7.137 20.240 25.295 1.00 0.00 H new ATOM 0 HB2 ALA B 42 5.517 19.719 24.772 1.00 0.00 H new ATOM 0 HB3 ALA B 42 6.207 19.094 26.289 1.00 0.00 H new ATOM 1709 N PHE B 43 9.503 18.453 24.552 1.00 0.00 N ATOM 1710 CA PHE B 43 10.903 18.095 24.817 1.00 0.00 C ATOM 1711 C PHE B 43 11.809 19.350 24.885 1.00 0.00 C ATOM 1712 O PHE B 43 12.090 19.950 23.840 1.00 0.00 O ATOM 1713 CB PHE B 43 11.384 17.128 23.723 1.00 0.00 C ATOM 1714 CG PHE B 43 10.560 15.860 23.609 1.00 0.00 C ATOM 1715 CD1 PHE B 43 10.760 14.804 24.520 1.00 0.00 C ATOM 1716 CD2 PHE B 43 9.545 15.753 22.633 1.00 0.00 C ATOM 1717 CE1 PHE B 43 9.946 13.658 24.463 1.00 0.00 C ATOM 1718 CE2 PHE B 43 8.728 14.612 22.578 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.928 13.563 23.494 1.00 0.00 C ATOM 0 H PHE B 43 9.414 19.233 23.901 1.00 0.00 H new ATOM 0 HA PHE B 43 10.966 17.608 25.790 1.00 0.00 H new ATOM 0 HB2 PHE B 43 11.369 17.646 22.764 1.00 0.00 H new ATOM 0 HB3 PHE B 43 12.421 16.858 23.923 1.00 0.00 H new ATOM 0 HD1 PHE B 43 11.540 14.874 25.264 1.00 0.00 H new ATOM 0 HD2 PHE B 43 9.396 16.554 21.924 1.00 0.00 H new ATOM 0 HE1 PHE B 43 10.102 12.850 25.163 1.00 0.00 H new ATOM 0 HE2 PHE B 43 7.948 14.540 21.834 1.00 0.00 H new ATOM 0 HZ PHE B 43 8.301 12.685 23.454 1.00 0.00 H new ATOM 1729 N PRO B 44 12.262 19.783 26.078 1.00 0.00 N ATOM 1730 CA PRO B 44 13.123 20.955 26.232 1.00 0.00 C ATOM 1731 C PRO B 44 14.552 20.718 25.700 1.00 0.00 C ATOM 1732 O PRO B 44 15.086 19.607 25.754 1.00 0.00 O ATOM 1733 CB PRO B 44 13.121 21.274 27.730 1.00 0.00 C ATOM 1734 CG PRO B 44 12.873 19.910 28.378 1.00 0.00 C ATOM 1735 CD PRO B 44 11.963 19.202 27.379 1.00 0.00 C ATOM 0 HA PRO B 44 12.747 21.790 25.641 1.00 0.00 H new ATOM 0 HB2 PRO B 44 14.069 21.706 28.051 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.341 21.990 27.988 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.803 19.363 28.531 1.00 0.00 H new ATOM 0 HG3 PRO B 44 12.397 20.010 29.354 1.00 0.00 H new ATOM 0 HD2 PRO B 44 12.147 18.128 27.378 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.914 19.345 27.638 1.00 0.00 H new ATOM 1743 N GLY B 45 15.178 21.787 25.198 1.00 0.00 N ATOM 1744 CA GLY B 45 16.564 21.810 24.714 1.00 0.00 C ATOM 1745 C GLY B 45 16.790 21.204 23.320 1.00 0.00 C ATOM 1746 O GLY B 45 17.908 21.282 22.794 1.00 0.00 O ATOM 0 H GLY B 45 14.718 22.693 25.114 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.909 22.844 24.701 1.00 0.00 H new ATOM 0 HA3 GLY B 45 17.189 21.275 25.429 1.00 0.00 H new ATOM 1750 N LEU B 46 15.764 20.624 22.695 1.00 0.00 N ATOM 1751 CA LEU B 46 15.822 20.092 21.329 1.00 0.00 C ATOM 1752 C LEU B 46 15.484 21.156 20.270 1.00 0.00 C ATOM 1753 O LEU B 46 14.892 22.201 20.561 1.00 0.00 O ATOM 1754 CB LEU B 46 14.911 18.852 21.196 1.00 0.00 C ATOM 1755 CG LEU B 46 15.215 17.682 22.152 1.00 0.00 C ATOM 1756 CD1 LEU B 46 14.396 16.461 21.727 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.685 17.258 22.155 1.00 0.00 C ATOM 0 H LEU B 46 14.850 20.508 23.132 1.00 0.00 H new ATOM 0 HA LEU B 46 16.851 19.788 21.139 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.879 19.166 21.355 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.979 18.485 20.172 1.00 0.00 H new ATOM 0 HG LEU B 46 14.960 18.034 23.152 1.00 0.00 H new ATOM 0 HD11 LEU B 46 14.607 15.630 22.400 1.00 0.00 H new ATOM 0 HD12 LEU B 46 13.334 16.702 21.770 1.00 0.00 H new ATOM 0 HD13 LEU B 46 14.663 16.180 20.708 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.824 16.430 22.851 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.975 16.942 21.153 1.00 0.00 H new ATOM 0 HD23 LEU B 46 17.306 18.099 22.464 1.00 0.00 H new ATOM 1769 N ALA B 47 15.820 20.838 19.020 1.00 0.00 N ATOM 1770 CA ALA B 47 15.359 21.472 17.790 1.00 0.00 C ATOM 1771 C ALA B 47 15.039 20.397 16.733 1.00 0.00 C ATOM 1772 O ALA B 47 15.527 19.265 16.811 1.00 0.00 O ATOM 1773 CB ALA B 47 16.417 22.462 17.295 1.00 0.00 C ATOM 0 H ALA B 47 16.469 20.075 18.829 1.00 0.00 H new ATOM 0 HA ALA B 47 14.442 22.029 17.980 1.00 0.00 H new ATOM 0 HB1 ALA B 47 16.071 22.935 16.376 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.585 23.225 18.055 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.349 21.932 17.101 1.00 0.00 H new ATOM 1779 N ILE B 48 14.222 20.747 15.738 1.00 0.00 N ATOM 1780 CA ILE B 48 13.914 19.861 14.604 1.00 0.00 C ATOM 1781 C ILE B 48 15.151 19.797 13.692 1.00 0.00 C ATOM 1782 O ILE B 48 15.541 20.806 13.104 1.00 0.00 O ATOM 1783 CB ILE B 48 12.648 20.340 13.844 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.415 20.508 14.767 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.318 19.360 12.701 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.264 21.287 14.110 1.00 0.00 C ATOM 0 H ILE B 48 13.753 21.652 15.692 1.00 0.00 H new ATOM 0 HA ILE B 48 13.686 18.858 14.964 1.00 0.00 H new ATOM 0 HB ILE B 48 12.877 21.326 13.439 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.055 19.523 15.063 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.720 21.023 15.678 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.428 19.703 12.173 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.157 19.315 12.007 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.135 18.368 13.114 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.433 21.368 14.811 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.608 22.285 13.839 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.933 20.761 13.214 1.00 0.00 H new ATOM 1798 N GLY B 49 15.790 18.626 13.594 1.00 0.00 N ATOM 1799 CA GLY B 49 17.032 18.416 12.839 1.00 0.00 C ATOM 1800 C GLY B 49 16.806 18.026 11.373 1.00 0.00 C ATOM 1801 O GLY B 49 17.527 18.503 10.491 1.00 0.00 O ATOM 0 H GLY B 49 15.451 17.778 14.048 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.627 19.329 12.875 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.616 17.636 13.327 1.00 0.00 H new ATOM 1805 N ARG B 50 15.784 17.204 11.094 1.00 0.00 N ATOM 1806 CA ARG B 50 15.321 16.844 9.740 1.00 0.00 C ATOM 1807 C ARG B 50 13.806 16.663 9.675 1.00 0.00 C ATOM 1808 O ARG B 50 13.187 16.183 10.623 1.00 0.00 O ATOM 1809 CB ARG B 50 15.995 15.557 9.226 1.00 0.00 C ATOM 1810 CG ARG B 50 17.491 15.696 8.910 1.00 0.00 C ATOM 1811 CD ARG B 50 18.057 14.452 8.213 1.00 0.00 C ATOM 1812 NE ARG B 50 17.418 14.216 6.902 1.00 0.00 N ATOM 1813 CZ ARG B 50 17.968 14.054 5.719 1.00 0.00 C ATOM 1814 NH1 ARG B 50 19.256 13.988 5.520 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 17.188 13.995 4.689 1.00 0.00 N ATOM 0 H ARG B 50 15.236 16.755 11.828 1.00 0.00 H new ATOM 0 HA ARG B 50 15.605 17.681 9.102 1.00 0.00 H new ATOM 0 HB2 ARG B 50 15.867 14.773 9.973 1.00 0.00 H new ATOM 0 HB3 ARG B 50 15.477 15.227 8.326 1.00 0.00 H new ATOM 0 HG2 ARG B 50 17.646 16.568 8.275 1.00 0.00 H new ATOM 0 HG3 ARG B 50 18.040 15.873 9.835 1.00 0.00 H new ATOM 0 HD2 ARG B 50 19.132 14.570 8.077 1.00 0.00 H new ATOM 0 HD3 ARG B 50 17.910 13.580 8.851 1.00 0.00 H new ATOM 0 HE ARG B 50 16.399 14.172 6.917 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.898 14.063 6.309 1.00 0.00 H new ATOM 0 HH12 ARG B 50 19.620 13.861 4.576 1.00 0.00 H new ATOM 0 HH21 ARG B 50 16.178 14.074 4.809 1.00 0.00 H new ATOM 0 HH22 ARG B 50 17.583 13.870 3.757 1.00 0.00 H new ATOM 1829 N VAL B 51 13.236 16.980 8.513 1.00 0.00 N ATOM 1830 CA VAL B 51 11.856 16.696 8.098 1.00 0.00 C ATOM 1831 C VAL B 51 11.918 16.045 6.715 1.00 0.00 C ATOM 1832 O VAL B 51 12.181 16.713 5.714 1.00 0.00 O ATOM 1833 CB VAL B 51 11.002 17.982 8.078 1.00 0.00 C ATOM 1834 CG1 VAL B 51 9.585 17.734 7.558 1.00 0.00 C ATOM 1835 CG2 VAL B 51 10.883 18.599 9.474 1.00 0.00 C ATOM 0 H VAL B 51 13.756 17.474 7.788 1.00 0.00 H new ATOM 0 HA VAL B 51 11.377 16.023 8.809 1.00 0.00 H new ATOM 0 HB VAL B 51 11.521 18.664 7.404 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.026 18.670 7.564 1.00 0.00 H new ATOM 0 HG12 VAL B 51 9.633 17.347 6.540 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.084 17.008 8.199 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.275 19.502 9.422 1.00 0.00 H new ATOM 0 HG22 VAL B 51 10.413 17.884 10.149 1.00 0.00 H new ATOM 0 HG23 VAL B 51 11.876 18.851 9.846 1.00 0.00 H new ATOM 1845 N ASP B 52 11.697 14.732 6.650 1.00 0.00 N ATOM 1846 CA ASP B 52 11.824 13.906 5.446 1.00 0.00 C ATOM 1847 C ASP B 52 10.448 13.465 4.942 1.00 0.00 C ATOM 1848 O ASP B 52 9.951 12.392 5.298 1.00 0.00 O ATOM 1849 CB ASP B 52 12.743 12.709 5.735 1.00 0.00 C ATOM 1850 CG ASP B 52 14.153 13.093 6.207 1.00 0.00 C ATOM 1851 OD1 ASP B 52 14.775 12.300 6.950 1.00 0.00 O ATOM 1852 OD2 ASP B 52 14.685 14.155 5.801 1.00 0.00 O1- ATOM 0 H ASP B 52 11.413 14.192 7.467 1.00 0.00 H new ATOM 0 HA ASP B 52 12.278 14.496 4.650 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.276 12.083 6.495 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.827 12.104 4.832 1.00 0.00 H new ATOM 1857 N LEU B 53 9.827 14.286 4.094 1.00 0.00 N ATOM 1858 CA LEU B 53 8.516 13.995 3.490 1.00 0.00 C ATOM 1859 C LEU B 53 8.585 12.745 2.591 1.00 0.00 C ATOM 1860 O LEU B 53 7.655 11.937 2.568 1.00 0.00 O ATOM 1861 CB LEU B 53 8.003 15.205 2.674 1.00 0.00 C ATOM 1862 CG LEU B 53 7.915 16.601 3.320 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.281 16.568 4.712 1.00 0.00 C ATOM 1864 CD2 LEU B 53 9.251 17.341 3.360 1.00 0.00 C ATOM 0 H LEU B 53 10.219 15.181 3.801 1.00 0.00 H new ATOM 0 HA LEU B 53 7.816 13.799 4.302 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.643 15.296 1.796 1.00 0.00 H new ATOM 0 HB3 LEU B 53 7.005 14.952 2.316 1.00 0.00 H new ATOM 0 HG LEU B 53 7.256 17.166 2.661 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.245 17.578 5.119 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.269 16.168 4.642 1.00 0.00 H new ATOM 0 HD13 LEU B 53 7.877 15.934 5.368 1.00 0.00 H new ATOM 0 HD21 LEU B 53 9.113 18.316 3.828 1.00 0.00 H new ATOM 0 HD22 LEU B 53 9.971 16.761 3.936 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.623 17.475 2.344 1.00 0.00 H new ATOM 1876 N ARG B 54 9.727 12.536 1.922 1.00 0.00 N ATOM 1877 CA ARG B 54 10.074 11.328 1.144 1.00 0.00 C ATOM 1878 C ARG B 54 9.977 10.026 1.955 1.00 0.00 C ATOM 1879 O ARG B 54 9.550 9.003 1.422 1.00 0.00 O ATOM 1880 CB ARG B 54 11.490 11.535 0.580 1.00 0.00 C ATOM 1881 CG ARG B 54 11.996 10.387 -0.306 1.00 0.00 C ATOM 1882 CD ARG B 54 13.288 10.780 -1.041 1.00 0.00 C ATOM 1883 NE ARG B 54 14.378 11.170 -0.121 1.00 0.00 N ATOM 1884 CZ ARG B 54 15.259 10.384 0.472 1.00 0.00 C ATOM 1885 NH1 ARG B 54 15.262 9.092 0.318 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 16.160 10.906 1.246 1.00 0.00 N ATOM 0 H ARG B 54 10.471 13.233 1.905 1.00 0.00 H new ATOM 0 HA ARG B 54 9.347 11.206 0.341 1.00 0.00 H new ATOM 0 HB2 ARG B 54 11.505 12.458 0.001 1.00 0.00 H new ATOM 0 HB3 ARG B 54 12.183 11.668 1.411 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.177 9.504 0.307 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.229 10.119 -1.032 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.620 9.943 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG B 54 13.077 11.608 -1.718 1.00 0.00 H new ATOM 0 HE ARG B 54 14.460 12.167 0.080 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.565 8.648 -0.280 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.961 8.523 0.795 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.184 11.915 1.392 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.844 10.307 1.708 1.00 0.00 H new ATOM 1900 N SER B 55 10.347 10.068 3.236 1.00 0.00 N ATOM 1901 CA SER B 55 10.390 8.898 4.132 1.00 0.00 C ATOM 1902 C SER B 55 9.199 8.804 5.097 1.00 0.00 C ATOM 1903 O SER B 55 8.960 7.734 5.662 1.00 0.00 O ATOM 1904 CB SER B 55 11.684 8.927 4.955 1.00 0.00 C ATOM 1905 OG SER B 55 12.828 8.993 4.110 1.00 0.00 O ATOM 0 H SER B 55 10.633 10.933 3.695 1.00 0.00 H new ATOM 0 HA SER B 55 10.345 8.023 3.483 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.673 9.787 5.625 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.741 8.036 5.580 1.00 0.00 H new ATOM 0 HG SER B 55 13.640 9.012 4.659 1.00 0.00 H new ATOM 1911 N GLY B 56 8.470 9.902 5.325 1.00 0.00 N ATOM 1912 CA GLY B 56 7.456 10.011 6.379 1.00 0.00 C ATOM 1913 C GLY B 56 8.058 10.088 7.793 1.00 0.00 C ATOM 1914 O GLY B 56 7.479 9.546 8.741 1.00 0.00 O ATOM 0 H GLY B 56 8.570 10.754 4.773 1.00 0.00 H new ATOM 0 HA2 GLY B 56 6.849 10.899 6.200 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.788 9.152 6.322 1.00 0.00 H new ATOM 1918 N VAL B 57 9.233 10.711 7.946 1.00 0.00 N ATOM 1919 CA VAL B 57 10.029 10.728 9.192 1.00 0.00 C ATOM 1920 C VAL B 57 10.469 12.146 9.559 1.00 0.00 C ATOM 1921 O VAL B 57 10.836 12.945 8.695 1.00 0.00 O ATOM 1922 CB VAL B 57 11.241 9.771 9.104 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.111 9.792 10.370 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.789 8.317 8.895 1.00 0.00 C ATOM 0 H VAL B 57 9.674 11.233 7.189 1.00 0.00 H new ATOM 0 HA VAL B 57 9.382 10.368 9.992 1.00 0.00 H new ATOM 0 HB VAL B 57 11.824 10.128 8.255 1.00 0.00 H new ATOM 0 HG11 VAL B 57 12.945 9.101 10.250 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.494 10.800 10.531 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.511 9.490 11.229 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.663 7.669 8.837 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.162 8.007 9.731 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.220 8.242 7.968 1.00 0.00 H new ATOM 1934 N ILE B 58 10.462 12.453 10.856 1.00 0.00 N ATOM 1935 CA ILE B 58 10.999 13.684 11.447 1.00 0.00 C ATOM 1936 C ILE B 58 12.029 13.297 12.523 1.00 0.00 C ATOM 1937 O ILE B 58 11.774 12.404 13.335 1.00 0.00 O ATOM 1938 CB ILE B 58 9.840 14.553 11.998 1.00 0.00 C ATOM 1939 CG1 ILE B 58 8.893 15.004 10.861 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.386 15.769 12.773 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.611 15.696 11.339 1.00 0.00 C ATOM 0 H ILE B 58 10.066 11.825 11.556 1.00 0.00 H new ATOM 0 HA ILE B 58 11.509 14.292 10.699 1.00 0.00 H new ATOM 0 HB ILE B 58 9.263 13.941 12.691 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.434 15.684 10.203 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.620 14.133 10.265 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.554 16.364 13.150 1.00 0.00 H new ATOM 0 HG22 ILE B 58 10.994 15.424 13.609 1.00 0.00 H new ATOM 0 HG23 ILE B 58 10.997 16.380 12.108 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.007 15.978 10.477 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.044 15.014 11.972 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.870 16.589 11.908 1.00 0.00 H new ATOM 1953 N SER B 59 13.182 13.963 12.553 1.00 0.00 N ATOM 1954 CA SER B 59 14.296 13.644 13.464 1.00 0.00 C ATOM 1955 C SER B 59 14.714 14.866 14.267 1.00 0.00 C ATOM 1956 O SER B 59 14.953 15.934 13.691 1.00 0.00 O ATOM 1957 CB SER B 59 15.508 13.101 12.692 1.00 0.00 C ATOM 1958 OG SER B 59 15.168 11.957 11.919 1.00 0.00 O ATOM 0 H SER B 59 13.378 14.753 11.938 1.00 0.00 H new ATOM 0 HA SER B 59 13.940 12.874 14.149 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.901 13.879 12.038 1.00 0.00 H new ATOM 0 HB3 SER B 59 16.301 12.844 13.394 1.00 0.00 H new ATOM 0 HG SER B 59 15.961 11.639 11.440 1.00 0.00 H new ATOM 1964 N LEU B 60 14.806 14.741 15.592 1.00 0.00 N ATOM 1965 CA LEU B 60 15.209 15.832 16.492 1.00 0.00 C ATOM 1966 C LEU B 60 16.691 15.750 16.893 1.00 0.00 C ATOM 1967 O LEU B 60 17.283 14.668 16.938 1.00 0.00 O ATOM 1968 CB LEU B 60 14.303 15.878 17.733 1.00 0.00 C ATOM 1969 CG LEU B 60 12.784 15.831 17.458 1.00 0.00 C ATOM 1970 CD1 LEU B 60 12.044 16.038 18.776 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.314 16.897 16.462 1.00 0.00 C ATOM 0 H LEU B 60 14.601 13.869 16.080 1.00 0.00 H new ATOM 0 HA LEU B 60 15.087 16.762 15.937 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.562 15.040 18.380 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.525 16.790 18.288 1.00 0.00 H new ATOM 0 HG LEU B 60 12.567 14.859 17.015 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.969 16.007 18.598 1.00 0.00 H new ATOM 0 HD12 LEU B 60 12.319 15.248 19.475 1.00 0.00 H new ATOM 0 HD13 LEU B 60 12.315 17.006 19.197 1.00 0.00 H new ATOM 0 HD21 LEU B 60 11.238 16.808 16.314 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.546 17.888 16.853 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.824 16.755 15.509 1.00 0.00 H new ATOM 1983 N ILE B 61 17.271 16.905 17.217 1.00 0.00 N ATOM 1984 CA ILE B 61 18.670 17.096 17.648 1.00 0.00 C ATOM 1985 C ILE B 61 18.741 18.073 18.826 1.00 0.00 C ATOM 1986 O ILE B 61 17.807 18.833 19.070 1.00 0.00 O ATOM 1987 CB ILE B 61 19.567 17.562 16.473 1.00 0.00 C ATOM 1988 CG1 ILE B 61 19.149 18.921 15.864 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.632 16.483 15.378 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.951 20.117 16.388 1.00 0.00 C ATOM 0 H ILE B 61 16.756 17.785 17.187 1.00 0.00 H new ATOM 0 HA ILE B 61 19.054 16.132 17.983 1.00 0.00 H new ATOM 0 HB ILE B 61 20.558 17.714 16.900 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.259 18.870 14.781 1.00 0.00 H new ATOM 0 HG13 ILE B 61 18.092 19.089 16.069 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.267 16.830 14.562 1.00 0.00 H new ATOM 0 HG22 ILE B 61 20.047 15.566 15.795 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.629 16.288 14.999 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.596 21.030 15.911 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.822 20.197 17.467 1.00 0.00 H new ATOM 0 HD13 ILE B 61 21.007 19.975 16.159 1.00 0.00 H new ATOM 2002 N GLU B 62 19.850 18.073 19.561 1.00 0.00 N ATOM 2003 CA GLU B 62 20.093 19.024 20.662 1.00 0.00 C ATOM 2004 C GLU B 62 20.494 20.397 20.100 1.00 0.00 C ATOM 2005 O GLU B 62 21.472 20.494 19.352 1.00 0.00 O ATOM 2006 CB GLU B 62 21.180 18.494 21.612 1.00 0.00 C ATOM 2007 CG GLU B 62 20.743 17.214 22.344 1.00 0.00 C ATOM 2008 CD GLU B 62 21.838 16.673 23.285 1.00 0.00 C ATOM 2009 OE1 GLU B 62 22.486 17.468 24.009 1.00 0.00 O ATOM 2010 OE2 GLU B 62 22.045 15.436 23.334 1.00 0.00 O1- ATOM 0 H GLU B 62 20.614 17.413 19.415 1.00 0.00 H new ATOM 0 HA GLU B 62 19.170 19.134 21.231 1.00 0.00 H new ATOM 0 HB2 GLU B 62 22.089 18.293 21.044 1.00 0.00 H new ATOM 0 HB3 GLU B 62 21.425 19.263 22.345 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.841 17.418 22.920 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.487 16.449 21.611 1.00 0.00 H new ATOM 2017 N GLU B 63 19.748 21.453 20.438 1.00 0.00 N ATOM 2018 CA GLU B 63 19.904 22.790 19.844 1.00 0.00 C ATOM 2019 C GLU B 63 21.243 23.451 20.233 1.00 0.00 C ATOM 2020 O GLU B 63 21.513 23.701 21.411 1.00 0.00 O ATOM 2021 CB GLU B 63 18.686 23.654 20.223 1.00 0.00 C ATOM 2022 CG GLU B 63 18.583 24.957 19.415 1.00 0.00 C ATOM 2023 CD GLU B 63 19.372 26.110 20.055 1.00 0.00 C ATOM 2024 OE1 GLU B 63 20.437 26.490 19.508 1.00 0.00 O ATOM 2025 OE2 GLU B 63 18.933 26.656 21.099 1.00 0.00 O1- ATOM 0 H GLU B 63 19.009 21.406 21.140 1.00 0.00 H new ATOM 0 HA GLU B 63 19.939 22.693 18.759 1.00 0.00 H new ATOM 0 HB2 GLU B 63 17.777 23.071 20.075 1.00 0.00 H new ATOM 0 HB3 GLU B 63 18.739 23.897 21.284 1.00 0.00 H new ATOM 0 HG2 GLU B 63 18.953 24.784 18.405 1.00 0.00 H new ATOM 0 HG3 GLU B 63 17.535 25.244 19.326 1.00 0.00 H new ATOM 2032 N GLN B 64 22.094 23.706 19.230 1.00 0.00 N ATOM 2033 CA GLN B 64 23.478 24.177 19.378 1.00 0.00 C ATOM 2034 C GLN B 64 23.827 25.275 18.342 1.00 0.00 C ATOM 2035 O GLN B 64 24.930 25.309 17.793 1.00 0.00 O ATOM 2036 CB GLN B 64 24.448 22.971 19.327 1.00 0.00 C ATOM 2037 CG GLN B 64 24.351 22.012 20.526 1.00 0.00 C ATOM 2038 CD GLN B 64 24.992 20.662 20.212 1.00 0.00 C ATOM 2039 OE1 GLN B 64 26.160 20.416 20.487 1.00 0.00 O ATOM 2040 NE2 GLN B 64 24.253 19.749 19.616 1.00 0.00 N ATOM 0 H GLN B 64 21.826 23.585 18.253 1.00 0.00 H new ATOM 0 HA GLN B 64 23.588 24.652 20.353 1.00 0.00 H new ATOM 0 HB2 GLN B 64 24.257 22.408 18.413 1.00 0.00 H new ATOM 0 HB3 GLN B 64 25.469 23.347 19.262 1.00 0.00 H new ATOM 0 HG2 GLN B 64 24.842 22.458 21.391 1.00 0.00 H new ATOM 0 HG3 GLN B 64 23.304 21.866 20.794 1.00 0.00 H new ATOM 0 HE21 GLN B 64 23.280 19.951 19.386 1.00 0.00 H new ATOM 0 HE22 GLN B 64 24.654 18.840 19.385 1.00 0.00 H new ATOM 2049 N ASN B 65 22.890 26.185 18.050 1.00 0.00 N ATOM 2050 CA ASN B 65 23.106 27.311 17.124 1.00 0.00 C ATOM 2051 C ASN B 65 24.034 28.424 17.684 1.00 0.00 C ATOM 2052 O ASN B 65 24.472 29.301 16.938 1.00 0.00 O ATOM 2053 CB ASN B 65 21.728 27.844 16.688 1.00 0.00 C ATOM 2054 CG ASN B 65 21.812 28.910 15.608 1.00 0.00 C ATOM 2055 OD1 ASN B 65 22.280 28.675 14.505 1.00 0.00 O ATOM 2056 ND2 ASN B 65 21.339 30.103 15.883 1.00 0.00 N ATOM 0 H ASN B 65 21.952 26.163 18.451 1.00 0.00 H new ATOM 0 HA ASN B 65 23.652 26.944 16.255 1.00 0.00 H new ATOM 0 HB2 ASN B 65 21.123 27.014 16.323 1.00 0.00 H new ATOM 0 HB3 ASN B 65 21.214 28.256 17.556 1.00 0.00 H new ATOM 0 HD21 ASN B 65 21.362 30.836 15.175 1.00 0.00 H new ATOM 0 HD22 ASN B 65 20.949 30.297 16.805 1.00 0.00 H new ATOM 2063 N ARG B 66 24.357 28.375 18.987 1.00 0.00 N ATOM 2064 CA ARG B 66 25.317 29.254 19.688 1.00 0.00 C ATOM 2065 C ARG B 66 26.713 29.304 19.044 1.00 0.00 C ATOM 2066 O ARG B 66 27.215 28.261 18.567 1.00 0.00 O ATOM 2067 CB ARG B 66 25.395 28.859 21.179 1.00 0.00 C ATOM 2068 CG ARG B 66 25.905 27.427 21.437 1.00 0.00 C ATOM 2069 CD ARG B 66 25.827 27.059 22.924 1.00 0.00 C ATOM 2070 NE ARG B 66 26.309 25.685 23.157 1.00 0.00 N ATOM 2071 CZ ARG B 66 26.197 24.976 24.269 1.00 0.00 C ATOM 2072 NH1 ARG B 66 25.600 25.434 25.332 1.00 0.00 N1+ ATOM 2073 NH2 ARG B 66 26.701 23.777 24.328 1.00 0.00 N ATOM 2074 OXT ARG B 66 27.321 30.401 19.047 1.00 0.00 O1- ATOM 0 H ARG B 66 23.937 27.689 19.614 1.00 0.00 H new ATOM 0 HA ARG B 66 24.933 30.270 19.598 1.00 0.00 H new ATOM 0 HB2 ARG B 66 26.050 29.562 21.694 1.00 0.00 H new ATOM 0 HB3 ARG B 66 24.404 28.963 21.621 1.00 0.00 H new ATOM 0 HG2 ARG B 66 25.314 26.719 20.855 1.00 0.00 H new ATOM 0 HG3 ARG B 66 26.936 27.340 21.094 1.00 0.00 H new ATOM 0 HD2 ARG B 66 26.423 27.761 23.507 1.00 0.00 H new ATOM 0 HD3 ARG B 66 24.798 27.150 23.271 1.00 0.00 H new ATOM 0 HE ARG B 66 26.781 25.231 22.375 1.00 0.00 H new ATOM 0 HH11 ARG B 66 25.198 26.371 25.327 1.00 0.00 H new ATOM 0 HH12 ARG B 66 25.535 24.855 26.170 1.00 0.00 H new ATOM 0 HH21 ARG B 66 27.181 23.385 23.518 1.00 0.00 H new ATOM 0 HH22 ARG B 66 26.615 23.229 25.184 1.00 0.00 H new TER 2088 ARG B 66