USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 360 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 145:sc= -0.21 (180deg=-0.737) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00995) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 62:sc= 0.942 USER MOD Single : A 27 THR OG1 : rot 86:sc= 1.03 USER MOD Single : A 29 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.086) USER MOD Single : A 32 TYR OH : rot -11:sc= 0.00129 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0149) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -5.99! C(o=-6!,f=-4.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.881 6.932 11.854 1.00 0.00 N ATOM 2 CA GLY A 1 -26.866 6.091 12.545 1.00 0.00 C ATOM 3 C GLY A 1 -25.524 6.099 11.839 1.00 0.00 C ATOM 4 O GLY A 1 -24.836 7.120 11.811 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.779 6.892 12.377 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.547 7.916 11.814 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.027 6.576 10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.737 6.449 13.566 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.232 5.066 12.610 1.00 0.00 H new ATOM 10 N LYS A 2 -25.151 4.956 11.272 1.00 0.00 N ATOM 11 CA LYS A 2 -23.881 4.832 10.563 1.00 0.00 C ATOM 12 C LYS A 2 -23.945 3.714 9.527 1.00 0.00 C ATOM 13 O LYS A 2 -23.686 2.552 9.838 1.00 0.00 O ATOM 14 CB LYS A 2 -22.743 4.561 11.552 1.00 0.00 C ATOM 15 CG LYS A 2 -23.158 4.675 13.010 1.00 0.00 C ATOM 16 CD LYS A 2 -22.014 4.324 13.947 1.00 0.00 C ATOM 17 CE LYS A 2 -21.607 5.516 14.798 1.00 0.00 C ATOM 18 NZ LYS A 2 -20.433 6.231 14.228 1.00 0.00 N ATOM 0 H LYS A 2 -25.709 4.103 11.289 1.00 0.00 H new ATOM 0 HA LYS A 2 -23.688 5.773 10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.349 3.561 11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -21.931 5.262 11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -23.497 5.691 13.214 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -24.002 4.012 13.201 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.312 3.498 14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.158 3.981 13.366 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.447 6.206 14.881 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.371 5.178 15.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.188 7.037 14.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.624 5.580 14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -20.666 6.576 13.275 1.00 0.00 H new ATOM 32 N ILE A 3 -24.290 4.074 8.296 1.00 0.00 N ATOM 33 CA ILE A 3 -24.388 3.100 7.214 1.00 0.00 C ATOM 34 C ILE A 3 -23.029 2.865 6.562 1.00 0.00 C ATOM 35 O ILE A 3 -22.612 1.722 6.365 1.00 0.00 O ATOM 36 CB ILE A 3 -25.394 3.554 6.139 1.00 0.00 C ATOM 37 CG1 ILE A 3 -26.482 4.430 6.763 1.00 0.00 C ATOM 38 CG2 ILE A 3 -26.010 2.348 5.446 1.00 0.00 C ATOM 39 CD1 ILE A 3 -27.162 3.789 7.954 1.00 0.00 C ATOM 0 H ILE A 3 -24.506 5.032 8.022 1.00 0.00 H new ATOM 0 HA ILE A 3 -24.740 2.168 7.656 1.00 0.00 H new ATOM 0 HB ILE A 3 -24.862 4.145 5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -26.042 5.378 7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -27.232 4.659 6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -26.718 2.686 4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -25.224 1.761 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -26.529 1.732 6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -27.922 4.465 8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -27.632 2.855 7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -26.423 3.585 8.729 1.00 0.00 H new ATOM 51 N PRO A 4 -22.322 3.950 6.215 1.00 0.00 N ATOM 52 CA PRO A 4 -21.009 3.876 5.581 1.00 0.00 C ATOM 53 C PRO A 4 -19.876 3.779 6.595 1.00 0.00 C ATOM 54 O PRO A 4 -18.938 4.578 6.569 1.00 0.00 O ATOM 55 CB PRO A 4 -20.938 5.197 4.823 1.00 0.00 C ATOM 56 CG PRO A 4 -21.721 6.156 5.659 1.00 0.00 C ATOM 57 CD PRO A 4 -22.753 5.345 6.411 1.00 0.00 C ATOM 0 HA PRO A 4 -20.896 2.990 4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.907 5.529 4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -21.363 5.104 3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.068 6.687 6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.202 6.909 5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.777 5.611 7.468 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.756 5.512 6.018 1.00 0.00 H new ATOM 65 N VAL A 5 -19.965 2.798 7.486 1.00 0.00 N ATOM 66 CA VAL A 5 -18.942 2.600 8.506 1.00 0.00 C ATOM 67 C VAL A 5 -17.709 1.929 7.920 1.00 0.00 C ATOM 68 O VAL A 5 -16.584 2.198 8.341 1.00 0.00 O ATOM 69 CB VAL A 5 -19.470 1.755 9.680 1.00 0.00 C ATOM 70 CG1 VAL A 5 -18.606 1.957 10.914 1.00 0.00 C ATOM 71 CG2 VAL A 5 -20.922 2.102 9.976 1.00 0.00 C ATOM 0 H VAL A 5 -20.734 2.128 7.523 1.00 0.00 H new ATOM 0 HA VAL A 5 -18.671 3.588 8.879 1.00 0.00 H new ATOM 0 HB VAL A 5 -19.421 0.703 9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -18.995 1.352 11.733 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -17.582 1.656 10.694 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -18.621 3.009 11.201 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -21.279 1.495 10.808 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -20.998 3.157 10.238 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -21.531 1.902 9.094 1.00 0.00 H new ATOM 81 N LYS A 6 -17.922 1.062 6.938 1.00 0.00 N ATOM 82 CA LYS A 6 -16.816 0.372 6.292 1.00 0.00 C ATOM 83 C LYS A 6 -15.965 1.369 5.514 1.00 0.00 C ATOM 84 O LYS A 6 -14.826 1.080 5.146 1.00 0.00 O ATOM 85 CB LYS A 6 -17.341 -0.723 5.362 1.00 0.00 C ATOM 86 CG LYS A 6 -18.280 -1.702 6.050 1.00 0.00 C ATOM 87 CD LYS A 6 -19.702 -1.575 5.528 1.00 0.00 C ATOM 88 CE LYS A 6 -19.759 -1.735 4.017 1.00 0.00 C ATOM 89 NZ LYS A 6 -20.087 -0.453 3.335 1.00 0.00 N ATOM 0 H LYS A 6 -18.844 0.822 6.574 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.197 -0.096 7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.862 -0.259 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.496 -1.272 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.924 -2.720 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.269 -1.523 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.332 -2.330 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.107 -0.602 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.799 -2.104 3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.507 -2.485 3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.577 -0.401 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.111 -0.406 3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.803 0.344 3.939 1.00 0.00 H new ATOM 103 N ALA A 7 -16.523 2.555 5.289 1.00 0.00 N ATOM 104 CA ALA A 7 -15.816 3.609 4.578 1.00 0.00 C ATOM 105 C ALA A 7 -14.978 4.418 5.553 1.00 0.00 C ATOM 106 O ALA A 7 -13.781 4.621 5.347 1.00 0.00 O ATOM 107 CB ALA A 7 -16.800 4.507 3.842 1.00 0.00 C ATOM 0 H ALA A 7 -17.464 2.808 5.590 1.00 0.00 H new ATOM 0 HA ALA A 7 -15.154 3.155 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -16.254 5.290 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -17.367 3.914 3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -17.485 4.961 4.559 1.00 0.00 H new ATOM 113 N ILE A 8 -15.619 4.862 6.627 1.00 0.00 N ATOM 114 CA ILE A 8 -14.938 5.633 7.657 1.00 0.00 C ATOM 115 C ILE A 8 -13.900 4.768 8.359 1.00 0.00 C ATOM 116 O ILE A 8 -12.914 5.274 8.894 1.00 0.00 O ATOM 117 CB ILE A 8 -15.933 6.188 8.698 1.00 0.00 C ATOM 118 CG1 ILE A 8 -15.186 6.860 9.851 1.00 0.00 C ATOM 119 CG2 ILE A 8 -16.831 5.079 9.223 1.00 0.00 C ATOM 120 CD1 ILE A 8 -16.074 7.188 11.032 1.00 0.00 C ATOM 0 H ILE A 8 -16.610 4.701 6.807 1.00 0.00 H new ATOM 0 HA ILE A 8 -14.447 6.475 7.169 1.00 0.00 H new ATOM 0 HB ILE A 8 -16.558 6.936 8.209 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.380 6.205 10.183 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.723 7.778 9.488 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -17.526 5.490 9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -17.392 4.643 8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -16.220 4.309 9.694 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.480 7.662 11.813 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -16.865 7.867 10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -16.517 6.271 11.420 1.00 0.00 H new ATOM 132 N LYS A 9 -14.126 3.456 8.339 1.00 0.00 N ATOM 133 CA LYS A 9 -13.204 2.513 8.958 1.00 0.00 C ATOM 134 C LYS A 9 -11.967 2.345 8.088 1.00 0.00 C ATOM 135 O LYS A 9 -10.838 2.351 8.579 1.00 0.00 O ATOM 136 CB LYS A 9 -13.890 1.160 9.168 1.00 0.00 C ATOM 137 CG LYS A 9 -12.927 0.035 9.512 1.00 0.00 C ATOM 138 CD LYS A 9 -13.637 -1.111 10.216 1.00 0.00 C ATOM 139 CE LYS A 9 -14.708 -1.730 9.332 1.00 0.00 C ATOM 140 NZ LYS A 9 -14.210 -2.941 8.621 1.00 0.00 N ATOM 0 H LYS A 9 -14.940 3.024 7.901 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.901 2.905 9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.625 1.255 9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.436 0.895 8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.455 -0.333 8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.131 0.418 10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.910 -1.873 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.090 -0.748 11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.572 -1.996 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.047 -0.994 8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.970 -3.333 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.401 -2.683 8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.911 -3.654 9.317 1.00 0.00 H new ATOM 154 N LYS A 10 -12.191 2.206 6.785 1.00 0.00 N ATOM 155 CA LYS A 10 -11.097 2.048 5.835 1.00 0.00 C ATOM 156 C LYS A 10 -10.143 3.231 5.917 1.00 0.00 C ATOM 157 O LYS A 10 -8.926 3.069 5.822 1.00 0.00 O ATOM 158 CB LYS A 10 -11.642 1.915 4.410 1.00 0.00 C ATOM 159 CG LYS A 10 -11.213 0.637 3.710 1.00 0.00 C ATOM 160 CD LYS A 10 -11.364 0.751 2.201 1.00 0.00 C ATOM 161 CE LYS A 10 -10.227 1.550 1.586 1.00 0.00 C ATOM 162 NZ LYS A 10 -9.184 0.667 0.993 1.00 0.00 N ATOM 0 H LYS A 10 -13.120 2.200 6.364 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.552 1.140 6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.731 1.954 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.310 2.770 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.175 0.416 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.812 -0.198 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.389 -0.246 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.315 1.228 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.623 2.211 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.775 2.184 2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.426 1.251 0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.787 0.053 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.609 0.080 0.247 1.00 0.00 H new ATOM 176 N ALA A 11 -10.701 4.425 6.098 1.00 0.00 N ATOM 177 CA ALA A 11 -9.891 5.630 6.196 1.00 0.00 C ATOM 178 C ALA A 11 -9.014 5.584 7.434 1.00 0.00 C ATOM 179 O ALA A 11 -7.797 5.760 7.352 1.00 0.00 O ATOM 180 CB ALA A 11 -10.772 6.870 6.205 1.00 0.00 C ATOM 0 H ALA A 11 -11.706 4.581 6.179 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.243 5.680 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.147 7.760 6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.353 6.910 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.448 6.830 7.059 1.00 0.00 H new ATOM 186 N GLY A 12 -9.631 5.323 8.578 1.00 0.00 N ATOM 187 CA GLY A 12 -8.877 5.232 9.808 1.00 0.00 C ATOM 188 C GLY A 12 -7.815 4.157 9.721 1.00 0.00 C ATOM 189 O GLY A 12 -6.892 4.112 10.535 1.00 0.00 O ATOM 0 H GLY A 12 -10.635 5.174 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.409 6.193 10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.552 5.014 10.636 1.00 0.00 H new ATOM 193 N ALA A 13 -7.945 3.291 8.715 1.00 0.00 N ATOM 194 CA ALA A 13 -6.989 2.211 8.508 1.00 0.00 C ATOM 195 C ALA A 13 -5.751 2.720 7.782 1.00 0.00 C ATOM 196 O ALA A 13 -4.626 2.351 8.118 1.00 0.00 O ATOM 197 CB ALA A 13 -7.634 1.077 7.725 1.00 0.00 C ATOM 0 H ALA A 13 -8.703 3.319 8.033 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.682 1.832 9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.908 0.277 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.490 0.693 8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.967 1.448 6.755 1.00 0.00 H new ATOM 203 N ALA A 14 -5.967 3.576 6.790 1.00 0.00 N ATOM 204 CA ALA A 14 -4.869 4.144 6.020 1.00 0.00 C ATOM 205 C ALA A 14 -4.070 5.126 6.865 1.00 0.00 C ATOM 206 O ALA A 14 -2.843 5.180 6.783 1.00 0.00 O ATOM 207 CB ALA A 14 -5.398 4.824 4.766 1.00 0.00 C ATOM 0 H ALA A 14 -6.893 3.891 6.501 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.204 3.334 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.566 5.244 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.923 4.094 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.085 5.622 5.047 1.00 0.00 H new ATOM 213 N ILE A 15 -4.776 5.898 7.686 1.00 0.00 N ATOM 214 CA ILE A 15 -4.130 6.870 8.557 1.00 0.00 C ATOM 215 C ILE A 15 -3.202 6.173 9.539 1.00 0.00 C ATOM 216 O ILE A 15 -2.047 6.564 9.706 1.00 0.00 O ATOM 217 CB ILE A 15 -5.164 7.702 9.339 1.00 0.00 C ATOM 218 CG1 ILE A 15 -5.996 8.554 8.378 1.00 0.00 C ATOM 219 CG2 ILE A 15 -4.468 8.580 10.369 1.00 0.00 C ATOM 220 CD1 ILE A 15 -7.101 9.330 9.060 1.00 0.00 C ATOM 0 H ILE A 15 -5.792 5.868 7.765 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.552 7.541 7.921 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.834 7.022 9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.338 9.253 7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.433 7.907 7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.212 9.162 10.913 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.915 7.952 11.068 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.778 9.256 9.864 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.649 9.911 8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.782 8.636 9.553 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.669 10.003 9.801 1.00 0.00 H new ATOM 232 N GLY A 16 -3.714 5.130 10.180 1.00 0.00 N ATOM 233 CA GLY A 16 -2.916 4.382 11.131 1.00 0.00 C ATOM 234 C GLY A 16 -1.691 3.769 10.484 1.00 0.00 C ATOM 235 O GLY A 16 -0.585 3.853 11.022 1.00 0.00 O ATOM 0 H GLY A 16 -4.668 4.789 10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.606 5.041 11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.525 3.594 11.575 1.00 0.00 H new ATOM 239 N LYS A 17 -1.887 3.157 9.319 1.00 0.00 N ATOM 240 CA LYS A 17 -0.789 2.535 8.593 1.00 0.00 C ATOM 241 C LYS A 17 0.187 3.597 8.098 1.00 0.00 C ATOM 242 O LYS A 17 1.388 3.358 8.002 1.00 0.00 O ATOM 243 CB LYS A 17 -1.330 1.706 7.417 1.00 0.00 C ATOM 244 CG LYS A 17 -1.172 2.370 6.054 1.00 0.00 C ATOM 245 CD LYS A 17 -2.319 2.014 5.124 1.00 0.00 C ATOM 246 CE LYS A 17 -1.921 0.925 4.141 1.00 0.00 C ATOM 247 NZ LYS A 17 -1.652 -0.369 4.826 1.00 0.00 N ATOM 0 H LYS A 17 -2.795 3.080 8.860 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.256 1.867 9.269 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.818 0.744 7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.387 1.502 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.126 3.452 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.228 2.060 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.175 1.681 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.634 2.902 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.716 0.789 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.032 1.238 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.433 -1.098 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.843 -0.259 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.491 -0.655 5.369 1.00 0.00 H new ATOM 261 N GLY A 18 -0.347 4.773 7.785 1.00 0.00 N ATOM 262 CA GLY A 18 0.482 5.858 7.302 1.00 0.00 C ATOM 263 C GLY A 18 1.612 6.186 8.254 1.00 0.00 C ATOM 264 O GLY A 18 2.767 6.289 7.844 1.00 0.00 O ATOM 0 H GLY A 18 -1.340 4.993 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.895 5.591 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.134 6.745 7.154 1.00 0.00 H new ATOM 268 N LEU A 19 1.280 6.352 9.528 1.00 0.00 N ATOM 269 CA LEU A 19 2.278 6.673 10.541 1.00 0.00 C ATOM 270 C LEU A 19 3.285 5.541 10.696 1.00 0.00 C ATOM 271 O LEU A 19 4.494 5.772 10.723 1.00 0.00 O ATOM 272 CB LEU A 19 1.600 6.959 11.881 1.00 0.00 C ATOM 273 CG LEU A 19 0.450 7.966 11.823 1.00 0.00 C ATOM 274 CD1 LEU A 19 -0.829 7.350 12.369 1.00 0.00 C ATOM 275 CD2 LEU A 19 0.807 9.226 12.596 1.00 0.00 C ATOM 0 H LEU A 19 0.328 6.270 9.885 1.00 0.00 H new ATOM 0 HA LEU A 19 2.814 7.564 10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.221 6.021 12.287 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.351 7.328 12.579 1.00 0.00 H new ATOM 0 HG LEU A 19 0.282 8.236 10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.635 8.082 12.319 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.095 6.476 11.774 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.675 7.050 13.405 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.022 9.932 12.544 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.002 8.971 13.638 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.697 9.680 12.161 1.00 0.00 H new ATOM 287 N ARG A 20 2.781 4.318 10.798 1.00 0.00 N ATOM 288 CA ARG A 20 3.640 3.149 10.951 1.00 0.00 C ATOM 289 C ARG A 20 4.565 2.992 9.749 1.00 0.00 C ATOM 290 O ARG A 20 5.776 2.829 9.900 1.00 0.00 O ATOM 291 CB ARG A 20 2.792 1.888 11.124 1.00 0.00 C ATOM 292 CG ARG A 20 2.949 1.231 12.485 1.00 0.00 C ATOM 293 CD ARG A 20 1.666 0.540 12.918 1.00 0.00 C ATOM 294 NE ARG A 20 1.165 1.064 14.185 1.00 0.00 N ATOM 295 CZ ARG A 20 1.798 0.917 15.344 1.00 0.00 C ATOM 296 NH1 ARG A 20 2.949 0.260 15.394 1.00 0.00 N ATOM 297 NH2 ARG A 20 1.281 1.426 16.454 1.00 0.00 N ATOM 0 H ARG A 20 1.783 4.109 10.778 1.00 0.00 H new ATOM 0 HA ARG A 20 4.252 3.293 11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.743 2.142 10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.062 1.170 10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.761 0.505 12.449 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.227 1.983 13.224 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.907 0.668 12.147 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.845 -0.531 13.014 1.00 0.00 H new ATOM 0 HE ARG A 20 0.280 1.571 14.180 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.349 -0.133 14.542 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.434 0.148 16.284 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.396 1.931 16.419 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.769 1.312 17.343 1.00 0.00 H new ATOM 311 N ALA A 21 3.984 3.038 8.555 1.00 0.00 N ATOM 312 CA ALA A 21 4.748 2.899 7.322 1.00 0.00 C ATOM 313 C ALA A 21 5.760 4.028 7.168 1.00 0.00 C ATOM 314 O ALA A 21 6.843 3.832 6.617 1.00 0.00 O ATOM 315 CB ALA A 21 3.813 2.861 6.124 1.00 0.00 C ATOM 0 H ALA A 21 2.982 3.171 8.416 1.00 0.00 H new ATOM 0 HA ALA A 21 5.298 1.960 7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.397 2.757 5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.134 2.014 6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.236 3.785 6.083 1.00 0.00 H new ATOM 321 N ILE A 22 5.404 5.212 7.655 1.00 0.00 N ATOM 322 CA ILE A 22 6.288 6.366 7.566 1.00 0.00 C ATOM 323 C ILE A 22 7.346 6.328 8.661 1.00 0.00 C ATOM 324 O ILE A 22 8.448 6.849 8.491 1.00 0.00 O ATOM 325 CB ILE A 22 5.501 7.689 7.663 1.00 0.00 C ATOM 326 CG1 ILE A 22 4.660 7.900 6.403 1.00 0.00 C ATOM 327 CG2 ILE A 22 6.449 8.861 7.874 1.00 0.00 C ATOM 328 CD1 ILE A 22 5.476 7.927 5.129 1.00 0.00 C ATOM 0 H ILE A 22 4.512 5.396 8.114 1.00 0.00 H new ATOM 0 HA ILE A 22 6.776 6.319 6.592 1.00 0.00 H new ATOM 0 HB ILE A 22 4.832 7.631 8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.919 7.104 6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.113 8.838 6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.875 9.786 7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.009 8.714 8.798 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.143 8.923 7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.814 8.080 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.200 8.741 5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.003 6.980 5.014 1.00 0.00 H new ATOM 340 N ASN A 23 7.008 5.699 9.781 1.00 0.00 N ATOM 341 CA ASN A 23 7.937 5.587 10.897 1.00 0.00 C ATOM 342 C ASN A 23 9.098 4.672 10.526 1.00 0.00 C ATOM 343 O ASN A 23 10.258 5.090 10.526 1.00 0.00 O ATOM 344 CB ASN A 23 7.219 5.050 12.136 1.00 0.00 C ATOM 345 CG ASN A 23 7.642 5.765 13.403 1.00 0.00 C ATOM 346 OD1 ASN A 23 6.832 6.417 14.062 1.00 0.00 O ATOM 347 ND2 ASN A 23 8.917 5.646 13.751 1.00 0.00 N ATOM 0 H ASN A 23 6.101 5.261 9.939 1.00 0.00 H new ATOM 0 HA ASN A 23 8.329 6.579 11.123 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.142 5.157 12.004 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.423 3.984 12.238 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.260 6.105 14.595 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.554 5.095 13.175 1.00 0.00 H new ATOM 354 N ILE A 24 8.777 3.426 10.198 1.00 0.00 N ATOM 355 CA ILE A 24 9.790 2.455 9.813 1.00 0.00 C ATOM 356 C ILE A 24 10.512 2.900 8.551 1.00 0.00 C ATOM 357 O ILE A 24 11.708 2.658 8.389 1.00 0.00 O ATOM 358 CB ILE A 24 9.177 1.062 9.575 1.00 0.00 C ATOM 359 CG1 ILE A 24 10.264 0.066 9.168 1.00 0.00 C ATOM 360 CG2 ILE A 24 8.092 1.137 8.510 1.00 0.00 C ATOM 361 CD1 ILE A 24 11.196 -0.307 10.299 1.00 0.00 C ATOM 0 H ILE A 24 7.823 3.066 10.191 1.00 0.00 H new ATOM 0 HA ILE A 24 10.500 2.391 10.638 1.00 0.00 H new ATOM 0 HB ILE A 24 8.724 0.716 10.504 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.792 -0.838 8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.848 0.491 8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.668 0.145 8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.308 1.819 8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.523 1.500 7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.941 -1.016 9.938 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.696 0.588 10.668 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.623 -0.762 11.107 1.00 0.00 H new ATOM 373 N ALA A 25 9.782 3.561 7.659 1.00 0.00 N ATOM 374 CA ALA A 25 10.365 4.043 6.418 1.00 0.00 C ATOM 375 C ALA A 25 11.309 5.201 6.690 1.00 0.00 C ATOM 376 O ALA A 25 12.457 5.196 6.249 1.00 0.00 O ATOM 377 CB ALA A 25 9.276 4.453 5.438 1.00 0.00 C ATOM 0 H ALA A 25 8.791 3.773 7.774 1.00 0.00 H new ATOM 0 HA ALA A 25 10.938 3.232 5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.733 4.811 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.641 3.594 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.673 5.248 5.876 1.00 0.00 H new ATOM 383 N SER A 26 10.828 6.181 7.443 1.00 0.00 N ATOM 384 CA SER A 26 11.647 7.327 7.793 1.00 0.00 C ATOM 385 C SER A 26 12.913 6.851 8.489 1.00 0.00 C ATOM 386 O SER A 26 13.908 7.573 8.558 1.00 0.00 O ATOM 387 CB SER A 26 10.871 8.280 8.703 1.00 0.00 C ATOM 388 OG SER A 26 9.722 8.786 8.047 1.00 0.00 O ATOM 0 H SER A 26 9.880 6.203 7.820 1.00 0.00 H new ATOM 0 HA SER A 26 11.915 7.864 6.883 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.574 7.759 9.613 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.515 9.106 9.004 1.00 0.00 H new ATOM 0 HG SER A 26 9.120 8.045 7.823 1.00 0.00 H new ATOM 394 N THR A 27 12.871 5.618 8.994 1.00 0.00 N ATOM 395 CA THR A 27 14.018 5.034 9.676 1.00 0.00 C ATOM 396 C THR A 27 14.890 4.271 8.688 1.00 0.00 C ATOM 397 O THR A 27 16.098 4.491 8.610 1.00 0.00 O ATOM 398 CB THR A 27 13.557 4.105 10.801 1.00 0.00 C ATOM 399 OG1 THR A 27 12.446 4.660 11.483 1.00 0.00 O ATOM 400 CG2 THR A 27 14.636 3.830 11.826 1.00 0.00 C ATOM 0 H THR A 27 12.055 5.008 8.942 1.00 0.00 H new ATOM 0 HA THR A 27 14.607 5.841 10.112 1.00 0.00 H new ATOM 0 HB THR A 27 13.293 3.166 10.315 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.620 4.416 11.015 1.00 0.00 H new ATOM 0 HG21 THR A 27 14.245 3.165 12.596 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.489 3.358 11.338 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.952 4.768 12.282 1.00 0.00 H new ATOM 408 N ALA A 28 14.263 3.379 7.926 1.00 0.00 N ATOM 409 CA ALA A 28 14.980 2.592 6.933 1.00 0.00 C ATOM 410 C ALA A 28 15.719 3.508 5.970 1.00 0.00 C ATOM 411 O ALA A 28 16.877 3.268 5.627 1.00 0.00 O ATOM 412 CB ALA A 28 14.015 1.688 6.179 1.00 0.00 C ATOM 0 H ALA A 28 13.263 3.185 7.978 1.00 0.00 H new ATOM 0 HA ALA A 28 15.711 1.965 7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.565 1.105 5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.524 1.014 6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.264 2.297 5.676 1.00 0.00 H new ATOM 418 N HIS A 29 15.042 4.571 5.550 1.00 0.00 N ATOM 419 CA HIS A 29 15.631 5.542 4.638 1.00 0.00 C ATOM 420 C HIS A 29 16.918 6.105 5.235 1.00 0.00 C ATOM 421 O HIS A 29 17.974 6.073 4.604 1.00 0.00 O ATOM 422 CB HIS A 29 14.619 6.662 4.341 1.00 0.00 C ATOM 423 CG HIS A 29 15.207 8.043 4.302 1.00 0.00 C ATOM 424 ND1 HIS A 29 14.853 9.036 5.192 1.00 0.00 N ATOM 425 CD2 HIS A 29 16.124 8.595 3.471 1.00 0.00 C ATOM 426 CE1 HIS A 29 15.525 10.138 4.910 1.00 0.00 C ATOM 427 NE2 HIS A 29 16.303 9.897 3.871 1.00 0.00 N ATOM 0 H HIS A 29 14.083 4.782 5.828 1.00 0.00 H new ATOM 0 HA HIS A 29 15.881 5.051 3.697 1.00 0.00 H new ATOM 0 HB2 HIS A 29 14.142 6.458 3.383 1.00 0.00 H new ATOM 0 HB3 HIS A 29 13.836 6.636 5.099 1.00 0.00 H new ATOM 0 HD2 HIS A 29 16.621 8.103 2.648 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.451 11.076 5.439 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.935 10.569 3.436 1.00 0.00 H new ATOM 436 N ASP A 30 16.822 6.609 6.463 1.00 0.00 N ATOM 437 CA ASP A 30 17.980 7.166 7.149 1.00 0.00 C ATOM 438 C ASP A 30 19.044 6.094 7.358 1.00 0.00 C ATOM 439 O ASP A 30 20.242 6.354 7.227 1.00 0.00 O ATOM 440 CB ASP A 30 17.562 7.758 8.498 1.00 0.00 C ATOM 441 CG ASP A 30 17.864 9.240 8.598 1.00 0.00 C ATOM 442 OD1 ASP A 30 18.598 9.757 7.729 1.00 0.00 O ATOM 443 OD2 ASP A 30 17.365 9.884 9.545 1.00 0.00 O ATOM 0 H ASP A 30 15.956 6.642 7.000 1.00 0.00 H new ATOM 0 HA ASP A 30 18.400 7.958 6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.494 7.597 8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 30 18.079 7.230 9.299 1.00 0.00 H new ATOM 448 N VAL A 31 18.595 4.887 7.679 1.00 0.00 N ATOM 449 CA VAL A 31 19.500 3.770 7.906 1.00 0.00 C ATOM 450 C VAL A 31 20.220 3.380 6.624 1.00 0.00 C ATOM 451 O VAL A 31 21.362 3.785 6.411 1.00 0.00 O ATOM 452 CB VAL A 31 18.756 2.540 8.463 1.00 0.00 C ATOM 453 CG1 VAL A 31 19.704 1.359 8.612 1.00 0.00 C ATOM 454 CG2 VAL A 31 18.097 2.873 9.793 1.00 0.00 C ATOM 0 H VAL A 31 17.607 4.658 7.788 1.00 0.00 H new ATOM 0 HA VAL A 31 20.230 4.102 8.644 1.00 0.00 H new ATOM 0 HB VAL A 31 17.976 2.261 7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 31 19.158 0.502 9.007 1.00 0.00 H new ATOM 0 HG12 VAL A 31 20.124 1.105 7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.509 1.623 9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.576 1.993 10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.859 3.180 10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.383 3.684 9.652 1.00 0.00 H new ATOM 464 N TYR A 32 19.547 2.591 5.783 1.00 0.00 N ATOM 465 CA TYR A 32 20.123 2.139 4.515 1.00 0.00 C ATOM 466 C TYR A 32 21.097 3.176 3.975 1.00 0.00 C ATOM 467 O TYR A 32 22.136 2.842 3.407 1.00 0.00 O ATOM 468 CB TYR A 32 19.018 1.873 3.491 1.00 0.00 C ATOM 469 CG TYR A 32 18.377 0.510 3.633 1.00 0.00 C ATOM 470 CD1 TYR A 32 18.609 -0.274 4.756 1.00 0.00 C ATOM 471 CD2 TYR A 32 17.539 0.009 2.644 1.00 0.00 C ATOM 472 CE1 TYR A 32 18.026 -1.520 4.890 1.00 0.00 C ATOM 473 CE2 TYR A 32 16.952 -1.236 2.771 1.00 0.00 C ATOM 474 CZ TYR A 32 17.198 -1.996 3.895 1.00 0.00 C ATOM 475 OH TYR A 32 16.616 -3.235 4.024 1.00 0.00 O ATOM 0 H TYR A 32 18.601 2.252 5.958 1.00 0.00 H new ATOM 0 HA TYR A 32 20.664 1.210 4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 32 18.249 2.639 3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.433 1.967 2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 32 19.256 0.096 5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 32 17.343 0.602 1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 32 18.218 -2.118 5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 32 16.304 -1.612 1.993 1.00 0.00 H new ATOM 0 HH TYR A 32 17.026 -3.712 4.776 1.00 0.00 H new ATOM 485 N SER A 33 20.756 4.440 4.190 1.00 0.00 N ATOM 486 CA SER A 33 21.592 5.550 3.765 1.00 0.00 C ATOM 487 C SER A 33 23.000 5.389 4.302 1.00 0.00 C ATOM 488 O SER A 33 23.946 5.161 3.550 1.00 0.00 O ATOM 489 CB SER A 33 21.002 6.853 4.285 1.00 0.00 C ATOM 490 OG SER A 33 20.983 7.853 3.281 1.00 0.00 O ATOM 0 H SER A 33 19.896 4.721 4.661 1.00 0.00 H new ATOM 0 HA SER A 33 21.629 5.565 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 33 19.988 6.677 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.585 7.203 5.137 1.00 0.00 H new ATOM 0 HG SER A 33 20.597 8.676 3.647 1.00 0.00 H new ATOM 496 N PHE A 34 23.124 5.488 5.618 1.00 0.00 N ATOM 497 CA PHE A 34 24.414 5.333 6.268 1.00 0.00 C ATOM 498 C PHE A 34 24.635 3.869 6.615 1.00 0.00 C ATOM 499 O PHE A 34 25.457 3.535 7.468 1.00 0.00 O ATOM 500 CB PHE A 34 24.489 6.193 7.529 1.00 0.00 C ATOM 501 CG PHE A 34 25.832 6.158 8.202 1.00 0.00 C ATOM 502 CD1 PHE A 34 26.997 6.125 7.452 1.00 0.00 C ATOM 503 CD2 PHE A 34 25.928 6.159 9.584 1.00 0.00 C ATOM 504 CE1 PHE A 34 28.233 6.091 8.069 1.00 0.00 C ATOM 505 CE2 PHE A 34 27.161 6.126 10.205 1.00 0.00 C ATOM 506 CZ PHE A 34 28.316 6.092 9.448 1.00 0.00 C ATOM 0 H PHE A 34 22.348 5.674 6.254 1.00 0.00 H new ATOM 0 HA PHE A 34 25.196 5.664 5.585 1.00 0.00 H new ATOM 0 HB2 PHE A 34 24.248 7.224 7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 34 23.730 5.856 8.234 1.00 0.00 H new ATOM 0 HD1 PHE A 34 26.938 6.126 6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 34 25.029 6.186 10.182 1.00 0.00 H new ATOM 0 HE1 PHE A 34 29.134 6.064 7.474 1.00 0.00 H new ATOM 0 HE2 PHE A 34 27.222 6.127 11.283 1.00 0.00 H new ATOM 0 HZ PHE A 34 29.281 6.066 9.933 1.00 0.00 H new ATOM 516 N PHE A 35 23.880 2.999 5.946 1.00 0.00 N ATOM 517 CA PHE A 35 23.975 1.572 6.180 1.00 0.00 C ATOM 518 C PHE A 35 24.470 0.829 4.949 1.00 0.00 C ATOM 519 O PHE A 35 24.203 -0.362 4.788 1.00 0.00 O ATOM 520 CB PHE A 35 22.631 1.013 6.627 1.00 0.00 C ATOM 521 CG PHE A 35 22.707 0.354 7.963 1.00 0.00 C ATOM 522 CD1 PHE A 35 22.978 1.094 9.101 1.00 0.00 C ATOM 523 CD2 PHE A 35 22.539 -1.010 8.072 1.00 0.00 C ATOM 524 CE1 PHE A 35 23.075 0.473 10.334 1.00 0.00 C ATOM 525 CE2 PHE A 35 22.641 -1.638 9.296 1.00 0.00 C ATOM 526 CZ PHE A 35 22.910 -0.897 10.429 1.00 0.00 C ATOM 0 H PHE A 35 23.196 3.265 5.237 1.00 0.00 H new ATOM 0 HA PHE A 35 24.705 1.421 6.975 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.899 1.820 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.276 0.293 5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 35 23.115 2.163 9.026 1.00 0.00 H new ATOM 0 HD2 PHE A 35 22.325 -1.594 7.189 1.00 0.00 H new ATOM 0 HE1 PHE A 35 23.279 1.057 11.220 1.00 0.00 H new ATOM 0 HE2 PHE A 35 22.511 -2.708 9.368 1.00 0.00 H new ATOM 0 HZ PHE A 35 22.992 -1.386 11.388 1.00 0.00 H new ATOM 536 N LYS A 36 25.205 1.518 4.090 1.00 0.00 N ATOM 537 CA LYS A 36 25.746 0.879 2.901 1.00 0.00 C ATOM 538 C LYS A 36 27.197 0.462 3.136 1.00 0.00 C ATOM 539 O LYS A 36 27.569 -0.686 2.890 1.00 0.00 O ATOM 540 CB LYS A 36 25.647 1.797 1.681 1.00 0.00 C ATOM 541 CG LYS A 36 24.474 2.761 1.735 1.00 0.00 C ATOM 542 CD LYS A 36 24.412 3.630 0.489 1.00 0.00 C ATOM 543 CE LYS A 36 24.648 2.813 -0.771 1.00 0.00 C ATOM 544 NZ LYS A 36 23.593 1.780 -0.970 1.00 0.00 N ATOM 0 H LYS A 36 25.438 2.506 4.191 1.00 0.00 H new ATOM 0 HA LYS A 36 25.150 -0.011 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 36 26.571 2.368 1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 36 25.562 1.185 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 36 23.545 2.200 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.562 3.394 2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 36 23.438 4.117 0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 36 25.160 4.420 0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 36 24.673 3.477 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 36 25.623 2.329 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 24.029 0.836 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 22.904 1.834 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 23.109 1.948 -1.875 1.00 0.00 H new ATOM 558 N PRO A 37 28.036 1.390 3.628 1.00 0.00 N ATOM 559 CA PRO A 37 29.448 1.114 3.908 1.00 0.00 C ATOM 560 C PRO A 37 29.615 0.133 5.066 1.00 0.00 C ATOM 561 O PRO A 37 29.389 0.482 6.224 1.00 0.00 O ATOM 562 CB PRO A 37 30.027 2.486 4.286 1.00 0.00 C ATOM 563 CG PRO A 37 28.996 3.483 3.870 1.00 0.00 C ATOM 564 CD PRO A 37 27.677 2.773 3.956 1.00 0.00 C ATOM 0 HA PRO A 37 29.948 0.654 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 37 30.223 2.548 5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 37 30.974 2.666 3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 37 29.012 4.356 4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 37 29.183 3.838 2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 37 27.238 2.853 4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 37 26.951 3.181 3.253 1.00 0.00 H new ATOM 572 N LYS A 38 30.005 -1.097 4.745 1.00 0.00 N ATOM 573 CA LYS A 38 30.193 -2.129 5.761 1.00 0.00 C ATOM 574 C LYS A 38 28.848 -2.698 6.200 1.00 0.00 C ATOM 575 O LYS A 38 28.572 -3.884 6.019 1.00 0.00 O ATOM 576 CB LYS A 38 30.941 -1.562 6.968 1.00 0.00 C ATOM 577 CG LYS A 38 32.140 -2.396 7.386 1.00 0.00 C ATOM 578 CD LYS A 38 33.220 -2.393 6.315 1.00 0.00 C ATOM 579 CE LYS A 38 33.652 -3.806 5.954 1.00 0.00 C ATOM 580 NZ LYS A 38 35.099 -3.872 5.606 1.00 0.00 N ATOM 0 H LYS A 38 30.197 -1.404 3.791 1.00 0.00 H new ATOM 0 HA LYS A 38 30.788 -2.932 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 38 31.275 -0.551 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 38 30.252 -1.485 7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 38 32.549 -2.006 8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 38 31.822 -3.420 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 38 32.849 -1.886 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 38 34.082 -1.827 6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 38 33.449 -4.473 6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 38 33.059 -4.163 5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 35.354 -4.851 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 35.288 -3.255 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 35.666 -3.556 6.418 1.00 0.00 H new ATOM 594 N HIS A 39 28.016 -1.835 6.766 1.00 0.00 N ATOM 595 CA HIS A 39 26.687 -2.225 7.227 1.00 0.00 C ATOM 596 C HIS A 39 26.069 -3.264 6.295 1.00 0.00 C ATOM 597 O HIS A 39 26.472 -3.391 5.139 1.00 0.00 O ATOM 598 CB HIS A 39 25.785 -0.998 7.285 1.00 0.00 C ATOM 599 CG HIS A 39 26.403 0.165 8.000 1.00 0.00 C ATOM 600 ND1 HIS A 39 26.344 0.324 9.368 1.00 0.00 N ATOM 601 CD2 HIS A 39 27.100 1.228 7.530 1.00 0.00 C ATOM 602 CE1 HIS A 39 26.974 1.434 9.709 1.00 0.00 C ATOM 603 NE2 HIS A 39 27.441 1.999 8.612 1.00 0.00 N ATOM 0 H HIS A 39 28.239 -0.851 6.919 1.00 0.00 H new ATOM 0 HA HIS A 39 26.784 -2.663 8.220 1.00 0.00 H new ATOM 0 HB2 HIS A 39 25.530 -0.696 6.269 1.00 0.00 H new ATOM 0 HB3 HIS A 39 24.852 -1.266 7.782 1.00 0.00 H new ATOM 0 HD2 HIS A 39 27.342 1.430 6.497 1.00 0.00 H new ATOM 0 HE1 HIS A 39 27.087 1.814 10.714 1.00 0.00 H new ATOM 0 HE2 HIS A 39 27.971 2.870 8.575 1.00 0.00 H new ATOM 612 N LYS A 40 25.085 -3.997 6.807 1.00 0.00 N ATOM 613 CA LYS A 40 24.397 -5.023 6.026 1.00 0.00 C ATOM 614 C LYS A 40 23.760 -6.068 6.938 1.00 0.00 C ATOM 615 O LYS A 40 24.418 -7.016 7.364 1.00 0.00 O ATOM 616 CB LYS A 40 25.370 -5.707 5.066 1.00 0.00 C ATOM 617 CG LYS A 40 26.693 -6.081 5.710 1.00 0.00 C ATOM 618 CD LYS A 40 26.697 -7.529 6.165 1.00 0.00 C ATOM 619 CE LYS A 40 27.740 -8.338 5.414 1.00 0.00 C ATOM 620 NZ LYS A 40 27.390 -9.784 5.357 1.00 0.00 N ATOM 0 H LYS A 40 24.744 -3.900 7.763 1.00 0.00 H new ATOM 0 HA LYS A 40 23.611 -4.533 5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 40 24.902 -6.607 4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 40 25.560 -5.045 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 40 27.504 -5.919 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 40 26.881 -5.429 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 40 26.898 -7.576 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 40 25.711 -7.965 6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 40 27.840 -7.949 4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 40 28.709 -8.218 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 28.128 -10.299 4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 27.320 -10.163 6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 26.478 -9.901 4.872 1.00 0.00 H new ATOM 634 N LYS A 41 22.475 -5.889 7.234 1.00 0.00 N ATOM 635 CA LYS A 41 21.758 -6.824 8.095 1.00 0.00 C ATOM 636 C LYS A 41 20.306 -6.398 8.280 1.00 0.00 C ATOM 637 O LYS A 41 19.383 -7.148 7.967 1.00 0.00 O ATOM 638 CB LYS A 41 22.449 -6.932 9.453 1.00 0.00 C ATOM 639 CG LYS A 41 22.911 -8.340 9.787 1.00 0.00 C ATOM 640 CD LYS A 41 21.901 -9.064 10.664 1.00 0.00 C ATOM 641 CE LYS A 41 20.862 -9.796 9.831 1.00 0.00 C ATOM 642 NZ LYS A 41 21.128 -11.260 9.771 1.00 0.00 N ATOM 0 H LYS A 41 21.912 -5.110 6.892 1.00 0.00 H new ATOM 0 HA LYS A 41 21.768 -7.801 7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.309 -6.263 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.764 -6.589 10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.064 -8.902 8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.873 -8.297 10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 41 22.420 -9.775 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.405 -8.346 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.872 -9.624 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.853 -9.387 8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.397 -11.722 9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.062 -11.426 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.111 -11.656 10.733 1.00 0.00 H new ATOM 656 N LYS A 42 20.114 -5.190 8.793 1.00 0.00 N ATOM 657 CA LYS A 42 18.775 -4.662 9.025 1.00 0.00 C ATOM 658 C LYS A 42 18.307 -3.823 7.841 1.00 0.00 C ATOM 659 O LYS A 42 18.015 -2.625 8.042 1.00 0.00 O ATOM 660 CB LYS A 42 18.752 -3.820 10.303 1.00 0.00 C ATOM 661 CG LYS A 42 19.573 -4.415 11.436 1.00 0.00 C ATOM 662 CD LYS A 42 18.716 -4.696 12.659 1.00 0.00 C ATOM 663 CE LYS A 42 18.645 -6.184 12.960 1.00 0.00 C ATOM 664 NZ LYS A 42 19.826 -6.651 13.738 1.00 0.00 N ATOM 665 OXT LYS A 42 18.238 -4.370 6.720 1.00 0.00 O ATOM 0 H LYS A 42 20.869 -4.556 9.057 1.00 0.00 H new ATOM 0 HA LYS A 42 18.094 -5.505 9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.128 -2.822 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.720 -3.705 10.634 1.00 0.00 H new ATOM 0 HG2 LYS A 42 20.042 -5.339 11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.376 -3.729 11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.126 -4.169 13.521 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.710 -4.308 12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.734 -6.398 13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.583 -6.741 12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.739 -7.671 13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 20.694 -6.470 13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.871 -6.138 14.642 1.00 0.00 H new TER 679 LYS A 42