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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0241) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.504 K(o=0.5,f=-1.2) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 29 HIS : no HE2:sc= -1.75! C(o=-1.7!,f=-6.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -8.89! C(o=-8.9!,f=-6.1!) 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+ -123:sc= -0.199 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.990 2.954 6.518 1.00 0.00 N ATOM 2 CA GLY A 1 -27.161 3.755 6.069 1.00 0.00 C ATOM 3 C GLY A 1 -27.062 5.211 6.480 1.00 0.00 C ATOM 4 O GLY A 1 -26.625 6.054 5.698 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.107 1.967 6.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.121 3.345 6.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.922 2.989 7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.245 3.692 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.072 3.325 6.485 1.00 0.00 H new ATOM 10 N LYS A 2 -27.469 5.505 7.710 1.00 0.00 N ATOM 11 CA LYS A 2 -27.424 6.870 8.221 1.00 0.00 C ATOM 12 C LYS A 2 -26.002 7.261 8.600 1.00 0.00 C ATOM 13 O LYS A 2 -25.455 8.234 8.081 1.00 0.00 O ATOM 14 CB LYS A 2 -28.346 7.016 9.432 1.00 0.00 C ATOM 15 CG LYS A 2 -28.790 8.447 9.689 1.00 0.00 C ATOM 16 CD LYS A 2 -30.283 8.615 9.459 1.00 0.00 C ATOM 17 CE LYS A 2 -30.676 8.216 8.045 1.00 0.00 C ATOM 18 NZ LYS A 2 -32.076 8.609 7.725 1.00 0.00 N ATOM 0 H LYS A 2 -27.833 4.818 8.370 1.00 0.00 H new ATOM 0 HA LYS A 2 -27.767 7.538 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -29.227 6.392 9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -27.833 6.639 10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -28.545 8.727 10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -28.241 9.123 9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -30.834 8.007 10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -30.566 9.652 9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -29.996 8.685 7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -30.566 7.138 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -32.304 8.319 6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -32.728 8.142 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -32.175 9.641 7.811 1.00 0.00 H new ATOM 32 N ILE A 3 -25.412 6.496 9.508 1.00 0.00 N ATOM 33 CA ILE A 3 -24.051 6.758 9.962 1.00 0.00 C ATOM 34 C ILE A 3 -23.066 5.766 9.353 1.00 0.00 C ATOM 35 O ILE A 3 -22.975 4.617 9.786 1.00 0.00 O ATOM 36 CB ILE A 3 -23.936 6.695 11.499 1.00 0.00 C ATOM 37 CG1 ILE A 3 -25.181 6.047 12.109 1.00 0.00 C ATOM 38 CG2 ILE A 3 -23.725 8.088 12.070 1.00 0.00 C ATOM 39 CD1 ILE A 3 -25.044 5.758 13.588 1.00 0.00 C ATOM 0 H ILE A 3 -25.854 5.688 9.946 1.00 0.00 H new ATOM 0 HA ILE A 3 -23.805 7.767 9.631 1.00 0.00 H new ATOM 0 HB ILE A 3 -23.073 6.080 11.755 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -26.037 6.703 11.952 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -25.392 5.116 11.582 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -23.646 8.028 13.155 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -22.808 8.513 11.662 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -24.570 8.723 11.802 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -25.962 5.299 13.956 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -24.208 5.077 13.750 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -24.863 6.689 14.125 1.00 0.00 H new ATOM 51 N PRO A 4 -22.312 6.207 8.337 1.00 0.00 N ATOM 52 CA PRO A 4 -21.322 5.366 7.658 1.00 0.00 C ATOM 53 C PRO A 4 -20.254 4.848 8.612 1.00 0.00 C ATOM 54 O PRO A 4 -19.139 5.370 8.654 1.00 0.00 O ATOM 55 CB PRO A 4 -20.697 6.304 6.618 1.00 0.00 C ATOM 56 CG PRO A 4 -21.685 7.405 6.444 1.00 0.00 C ATOM 57 CD PRO A 4 -22.366 7.564 7.772 1.00 0.00 C ATOM 0 HA PRO A 4 -21.778 4.476 7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.736 6.687 6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.516 5.784 5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.190 8.330 6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.405 7.163 5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -21.851 8.286 8.406 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.392 7.914 7.660 1.00 0.00 H new ATOM 65 N VAL A 5 -20.597 3.815 9.372 1.00 0.00 N ATOM 66 CA VAL A 5 -19.658 3.228 10.316 1.00 0.00 C ATOM 67 C VAL A 5 -18.575 2.458 9.581 1.00 0.00 C ATOM 68 O VAL A 5 -17.400 2.521 9.942 1.00 0.00 O ATOM 69 CB VAL A 5 -20.363 2.294 11.317 1.00 0.00 C ATOM 70 CG1 VAL A 5 -19.351 1.659 12.260 1.00 0.00 C ATOM 71 CG2 VAL A 5 -21.426 3.052 12.096 1.00 0.00 C ATOM 0 H VAL A 5 -21.514 3.369 9.353 1.00 0.00 H new ATOM 0 HA VAL A 5 -19.207 4.049 10.874 1.00 0.00 H new ATOM 0 HB VAL A 5 -20.854 1.497 10.759 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -19.868 1.002 12.960 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -18.630 1.079 11.683 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -18.829 2.440 12.813 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -21.914 2.376 12.798 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -20.961 3.871 12.644 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -22.167 3.453 11.405 1.00 0.00 H new ATOM 81 N LYS A 6 -18.971 1.752 8.530 1.00 0.00 N ATOM 82 CA LYS A 6 -18.019 0.999 7.732 1.00 0.00 C ATOM 83 C LYS A 6 -17.164 1.960 6.916 1.00 0.00 C ATOM 84 O LYS A 6 -16.140 1.574 6.347 1.00 0.00 O ATOM 85 CB LYS A 6 -18.746 0.020 6.806 1.00 0.00 C ATOM 86 CG LYS A 6 -18.670 -1.426 7.268 1.00 0.00 C ATOM 87 CD LYS A 6 -19.728 -2.283 6.591 1.00 0.00 C ATOM 88 CE LYS A 6 -20.037 -3.533 7.400 1.00 0.00 C ATOM 89 NZ LYS A 6 -19.064 -4.628 7.128 1.00 0.00 N ATOM 0 H LYS A 6 -19.938 1.686 8.214 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.377 0.424 8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.793 0.314 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.321 0.096 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.680 -1.827 7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.801 -1.471 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.639 -1.700 6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.385 -2.568 5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.022 -3.290 8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -21.045 -3.877 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.311 -5.461 7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.096 -4.878 6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.105 -4.310 7.376 1.00 0.00 H new ATOM 103 N ALA A 7 -17.585 3.223 6.878 1.00 0.00 N ATOM 104 CA ALA A 7 -16.856 4.248 6.147 1.00 0.00 C ATOM 105 C ALA A 7 -15.725 4.794 7.001 1.00 0.00 C ATOM 106 O ALA A 7 -14.587 4.917 6.546 1.00 0.00 O ATOM 107 CB ALA A 7 -17.794 5.369 5.722 1.00 0.00 C ATOM 0 H ALA A 7 -18.427 3.557 7.346 1.00 0.00 H new ATOM 0 HA ALA A 7 -16.430 3.801 5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -17.232 6.127 5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -18.576 4.965 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -18.247 5.819 6.605 1.00 0.00 H new ATOM 113 N ILE A 8 -16.045 5.102 8.251 1.00 0.00 N ATOM 114 CA ILE A 8 -15.055 5.617 9.182 1.00 0.00 C ATOM 115 C ILE A 8 -13.939 4.592 9.363 1.00 0.00 C ATOM 116 O ILE A 8 -12.775 4.949 9.549 1.00 0.00 O ATOM 117 CB ILE A 8 -15.705 5.981 10.547 1.00 0.00 C ATOM 118 CG1 ILE A 8 -15.785 7.501 10.696 1.00 0.00 C ATOM 119 CG2 ILE A 8 -14.951 5.372 11.727 1.00 0.00 C ATOM 120 CD1 ILE A 8 -17.106 8.083 10.243 1.00 0.00 C ATOM 0 H ILE A 8 -16.982 5.004 8.641 1.00 0.00 H new ATOM 0 HA ILE A 8 -14.630 6.532 8.771 1.00 0.00 H new ATOM 0 HB ILE A 8 -16.710 5.559 10.556 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -15.620 7.765 11.741 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.980 7.957 10.121 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -15.443 5.654 12.658 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.946 4.286 11.634 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.925 5.740 11.732 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -17.092 9.165 10.377 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -17.264 7.850 9.190 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -17.915 7.654 10.835 1.00 0.00 H new ATOM 132 N LYS A 9 -14.305 3.317 9.290 1.00 0.00 N ATOM 133 CA LYS A 9 -13.337 2.239 9.427 1.00 0.00 C ATOM 134 C LYS A 9 -12.355 2.270 8.264 1.00 0.00 C ATOM 135 O LYS A 9 -11.140 2.302 8.461 1.00 0.00 O ATOM 136 CB LYS A 9 -14.049 0.886 9.482 1.00 0.00 C ATOM 137 CG LYS A 9 -13.410 -0.097 10.450 1.00 0.00 C ATOM 138 CD LYS A 9 -14.284 -0.322 11.674 1.00 0.00 C ATOM 139 CE LYS A 9 -13.514 -1.011 12.788 1.00 0.00 C ATOM 140 NZ LYS A 9 -14.352 -2.008 13.510 1.00 0.00 N ATOM 0 H LYS A 9 -15.264 3.007 9.137 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.787 2.379 10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.089 1.043 9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.057 0.448 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.238 -1.047 9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.436 0.279 10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.665 0.635 12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.148 -0.927 11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.638 -1.508 12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.150 -0.264 13.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.789 -2.455 14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.175 -1.530 13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.678 -2.736 12.842 1.00 0.00 H new ATOM 154 N LYS A 10 -12.895 2.274 7.050 1.00 0.00 N ATOM 155 CA LYS A 10 -12.068 2.317 5.852 1.00 0.00 C ATOM 156 C LYS A 10 -11.052 3.447 5.951 1.00 0.00 C ATOM 157 O LYS A 10 -9.875 3.277 5.621 1.00 0.00 O ATOM 158 CB LYS A 10 -12.939 2.501 4.609 1.00 0.00 C ATOM 159 CG LYS A 10 -12.954 1.289 3.694 1.00 0.00 C ATOM 160 CD LYS A 10 -14.365 0.758 3.498 1.00 0.00 C ATOM 161 CE LYS A 10 -15.159 1.635 2.543 1.00 0.00 C ATOM 162 NZ LYS A 10 -14.764 1.411 1.126 1.00 0.00 N ATOM 0 H LYS A 10 -13.899 2.248 6.871 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.534 1.371 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.960 2.724 4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.581 3.365 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.527 1.556 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.324 0.505 4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.322 -0.260 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.875 0.711 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.223 1.429 2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.007 2.683 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.406 1.937 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.789 1.743 0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.820 0.396 0.906 1.00 0.00 H new ATOM 176 N ALA A 11 -11.512 4.600 6.423 1.00 0.00 N ATOM 177 CA ALA A 11 -10.641 5.755 6.581 1.00 0.00 C ATOM 178 C ALA A 11 -9.535 5.443 7.575 1.00 0.00 C ATOM 179 O ALA A 11 -8.365 5.744 7.333 1.00 0.00 O ATOM 180 CB ALA A 11 -11.439 6.971 7.028 1.00 0.00 C ATOM 0 H ALA A 11 -12.480 4.758 6.702 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.187 5.985 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.770 7.824 7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.199 7.202 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.921 6.759 7.983 1.00 0.00 H new ATOM 186 N GLY A 12 -9.907 4.814 8.682 1.00 0.00 N ATOM 187 CA GLY A 12 -8.926 4.448 9.681 1.00 0.00 C ATOM 188 C GLY A 12 -7.919 3.463 9.127 1.00 0.00 C ATOM 189 O GLY A 12 -6.878 3.215 9.734 1.00 0.00 O ATOM 0 H GLY A 12 -10.867 4.552 8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.409 5.342 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.428 4.011 10.544 1.00 0.00 H new ATOM 193 N ALA A 13 -8.232 2.909 7.957 1.00 0.00 N ATOM 194 CA ALA A 13 -7.351 1.953 7.303 1.00 0.00 C ATOM 195 C ALA A 13 -6.197 2.673 6.618 1.00 0.00 C ATOM 196 O ALA A 13 -5.030 2.371 6.862 1.00 0.00 O ATOM 197 CB ALA A 13 -8.129 1.117 6.298 1.00 0.00 C ATOM 0 H ALA A 13 -9.091 3.108 7.445 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.939 1.287 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.456 0.407 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.922 0.574 6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.567 1.770 5.543 1.00 0.00 H new ATOM 203 N ALA A 14 -6.532 3.638 5.767 1.00 0.00 N ATOM 204 CA ALA A 14 -5.519 4.410 5.056 1.00 0.00 C ATOM 205 C ALA A 14 -4.616 5.144 6.040 1.00 0.00 C ATOM 206 O ALA A 14 -3.405 5.238 5.838 1.00 0.00 O ATOM 207 CB ALA A 14 -6.174 5.395 4.100 1.00 0.00 C ATOM 0 H ALA A 14 -7.494 3.903 5.554 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.906 3.720 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.404 5.963 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.778 4.851 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.810 6.079 4.662 1.00 0.00 H new ATOM 213 N ILE A 15 -5.216 5.659 7.108 1.00 0.00 N ATOM 214 CA ILE A 15 -4.472 6.383 8.131 1.00 0.00 C ATOM 215 C ILE A 15 -3.452 5.474 8.806 1.00 0.00 C ATOM 216 O ILE A 15 -2.310 5.868 9.040 1.00 0.00 O ATOM 217 CB ILE A 15 -5.412 6.968 9.202 1.00 0.00 C ATOM 218 CG1 ILE A 15 -6.474 7.855 8.551 1.00 0.00 C ATOM 219 CG2 ILE A 15 -4.617 7.753 10.233 1.00 0.00 C ATOM 220 CD1 ILE A 15 -7.667 8.124 9.443 1.00 0.00 C ATOM 0 H ILE A 15 -6.218 5.588 7.287 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.954 7.201 7.631 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.915 6.146 9.710 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.020 8.805 8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.818 7.381 7.631 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.295 8.160 10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.896 7.093 10.716 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.089 8.569 9.741 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.379 8.759 8.916 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.146 7.180 9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.336 8.626 10.352 1.00 0.00 H new ATOM 232 N GLY A 16 -3.874 4.252 9.110 1.00 0.00 N ATOM 233 CA GLY A 16 -2.986 3.299 9.749 1.00 0.00 C ATOM 234 C GLY A 16 -1.781 2.978 8.889 1.00 0.00 C ATOM 235 O GLY A 16 -0.673 2.804 9.396 1.00 0.00 O ATOM 0 H GLY A 16 -4.815 3.904 8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.652 3.701 10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.533 2.381 9.963 1.00 0.00 H new ATOM 239 N LYS A 17 -2.002 2.904 7.581 1.00 0.00 N ATOM 240 CA LYS A 17 -0.932 2.608 6.638 1.00 0.00 C ATOM 241 C LYS A 17 -0.083 3.848 6.383 1.00 0.00 C ATOM 242 O LYS A 17 1.105 3.747 6.076 1.00 0.00 O ATOM 243 CB LYS A 17 -1.517 2.084 5.323 1.00 0.00 C ATOM 244 CG LYS A 17 -0.616 2.304 4.117 1.00 0.00 C ATOM 245 CD LYS A 17 -0.834 3.677 3.503 1.00 0.00 C ATOM 246 CE LYS A 17 -1.485 3.579 2.133 1.00 0.00 C ATOM 247 NZ LYS A 17 -0.979 4.626 1.201 1.00 0.00 N ATOM 0 H LYS A 17 -2.915 3.046 7.150 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.293 1.838 7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.717 1.017 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.475 2.572 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.427 2.199 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.812 1.535 3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.462 4.276 4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.122 4.194 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.293 2.593 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.566 3.677 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.447 4.525 0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.184 5.568 1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.048 4.517 1.082 1.00 0.00 H new ATOM 261 N GLY A 18 -0.700 5.016 6.517 1.00 0.00 N ATOM 262 CA GLY A 18 0.016 6.258 6.302 1.00 0.00 C ATOM 263 C GLY A 18 1.069 6.504 7.361 1.00 0.00 C ATOM 264 O GLY A 18 2.227 6.778 7.046 1.00 0.00 O ATOM 0 H GLY A 18 -1.682 5.125 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.489 6.237 5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.692 7.087 6.297 1.00 0.00 H new ATOM 268 N LEU A 19 0.668 6.404 8.624 1.00 0.00 N ATOM 269 CA LEU A 19 1.586 6.615 9.735 1.00 0.00 C ATOM 270 C LEU A 19 2.574 5.459 9.847 1.00 0.00 C ATOM 271 O LEU A 19 3.739 5.654 10.193 1.00 0.00 O ATOM 272 CB LEU A 19 0.809 6.764 11.045 1.00 0.00 C ATOM 273 CG LEU A 19 0.332 8.182 11.357 1.00 0.00 C ATOM 274 CD1 LEU A 19 -0.149 8.277 12.797 1.00 0.00 C ATOM 275 CD2 LEU A 19 1.444 9.186 11.098 1.00 0.00 C ATOM 0 H LEU A 19 -0.287 6.178 8.903 1.00 0.00 H new ATOM 0 HA LEU A 19 2.144 7.532 9.545 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.058 6.104 11.012 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.440 6.421 11.865 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.504 8.418 10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.485 9.293 13.002 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.976 7.584 12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.669 8.022 13.471 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.087 10.191 11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.300 8.953 11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.743 9.135 10.051 1.00 0.00 H new ATOM 287 N ARG A 20 2.099 4.254 9.551 1.00 0.00 N ATOM 288 CA ARG A 20 2.940 3.065 9.616 1.00 0.00 C ATOM 289 C ARG A 20 3.983 3.078 8.505 1.00 0.00 C ATOM 290 O ARG A 20 5.081 2.543 8.663 1.00 0.00 O ATOM 291 CB ARG A 20 2.083 1.802 9.521 1.00 0.00 C ATOM 292 CG ARG A 20 2.752 0.570 10.109 1.00 0.00 C ATOM 293 CD ARG A 20 2.445 -0.673 9.291 1.00 0.00 C ATOM 294 NE ARG A 20 2.743 -1.900 10.020 1.00 0.00 N ATOM 295 CZ ARG A 20 3.976 -2.342 10.250 1.00 0.00 C ATOM 296 NH1 ARG A 20 5.023 -1.641 9.833 1.00 0.00 N ATOM 297 NH2 ARG A 20 4.164 -3.480 10.903 1.00 0.00 N ATOM 0 H ARG A 20 1.137 4.075 9.264 1.00 0.00 H new ATOM 0 HA ARG A 20 3.459 3.067 10.574 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.138 1.974 10.037 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.845 1.612 8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.830 0.724 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.413 0.425 11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.393 -0.668 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.025 -0.651 8.368 1.00 0.00 H new ATOM 0 HE ARG A 20 1.961 -2.451 10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.883 -0.762 9.335 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.968 -1.981 10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.362 -4.019 11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.111 -3.817 11.078 1.00 0.00 H new ATOM 311 N ALA A 21 3.635 3.696 7.381 1.00 0.00 N ATOM 312 CA ALA A 21 4.545 3.784 6.248 1.00 0.00 C ATOM 313 C ALA A 21 5.685 4.750 6.546 1.00 0.00 C ATOM 314 O ALA A 21 6.830 4.517 6.157 1.00 0.00 O ATOM 315 CB ALA A 21 3.796 4.217 4.997 1.00 0.00 C ATOM 0 H ALA A 21 2.730 4.142 7.232 1.00 0.00 H new ATOM 0 HA ALA A 21 4.970 2.796 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.491 4.278 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.017 3.490 4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.343 5.194 5.164 1.00 0.00 H new ATOM 321 N ILE A 22 5.363 5.834 7.246 1.00 0.00 N ATOM 322 CA ILE A 22 6.360 6.834 7.604 1.00 0.00 C ATOM 323 C ILE A 22 7.332 6.284 8.640 1.00 0.00 C ATOM 324 O ILE A 22 8.494 6.685 8.687 1.00 0.00 O ATOM 325 CB ILE A 22 5.706 8.114 8.160 1.00 0.00 C ATOM 326 CG1 ILE A 22 4.718 8.697 7.148 1.00 0.00 C ATOM 327 CG2 ILE A 22 6.772 9.139 8.518 1.00 0.00 C ATOM 328 CD1 ILE A 22 5.361 9.097 5.838 1.00 0.00 C ATOM 0 H ILE A 22 4.420 6.041 7.576 1.00 0.00 H new ATOM 0 HA ILE A 22 6.901 7.083 6.691 1.00 0.00 H new ATOM 0 HB ILE A 22 5.155 7.856 9.065 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.937 7.963 6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.233 9.569 7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.296 10.038 8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.438 8.723 9.274 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.347 9.392 7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.602 9.502 5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.123 9.854 6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.822 8.223 5.377 1.00 0.00 H new ATOM 340 N ASN A 23 6.854 5.358 9.464 1.00 0.00 N ATOM 341 CA ASN A 23 7.691 4.751 10.490 1.00 0.00 C ATOM 342 C ASN A 23 8.777 3.901 9.844 1.00 0.00 C ATOM 343 O ASN A 23 9.967 4.203 9.948 1.00 0.00 O ATOM 344 CB ASN A 23 6.846 3.894 11.435 1.00 0.00 C ATOM 345 CG ASN A 23 6.192 4.715 12.529 1.00 0.00 C ATOM 346 OD1 ASN A 23 6.603 4.665 13.688 1.00 0.00 O ATOM 347 ND2 ASN A 23 5.167 5.478 12.167 1.00 0.00 N ATOM 0 H ASN A 23 5.894 5.013 9.441 1.00 0.00 H new ATOM 0 HA ASN A 23 8.160 5.546 11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.076 3.378 10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.475 3.127 11.887 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.688 6.052 12.861 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.858 5.490 11.195 1.00 0.00 H new ATOM 354 N ILE A 24 8.357 2.843 9.157 1.00 0.00 N ATOM 355 CA ILE A 24 9.288 1.962 8.479 1.00 0.00 C ATOM 356 C ILE A 24 10.166 2.753 7.521 1.00 0.00 C ATOM 357 O ILE A 24 11.323 2.401 7.288 1.00 0.00 O ATOM 358 CB ILE A 24 8.545 0.867 7.695 1.00 0.00 C ATOM 359 CG1 ILE A 24 7.403 1.480 6.884 1.00 0.00 C ATOM 360 CG2 ILE A 24 8.016 -0.201 8.642 1.00 0.00 C ATOM 361 CD1 ILE A 24 7.365 1.011 5.446 1.00 0.00 C ATOM 0 H ILE A 24 7.377 2.579 9.058 1.00 0.00 H new ATOM 0 HA ILE A 24 9.909 1.491 9.241 1.00 0.00 H new ATOM 0 HB ILE A 24 9.246 0.396 7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.455 1.235 7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.497 2.566 6.901 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.493 -0.968 8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.848 -0.654 9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.327 0.253 9.354 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.530 1.486 4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.298 1.280 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.239 -0.071 5.420 1.00 0.00 H new ATOM 373 N ALA A 25 9.614 3.834 6.977 1.00 0.00 N ATOM 374 CA ALA A 25 10.358 4.681 6.059 1.00 0.00 C ATOM 375 C ALA A 25 11.372 5.514 6.822 1.00 0.00 C ATOM 376 O ALA A 25 12.498 5.713 6.368 1.00 0.00 O ATOM 377 CB ALA A 25 9.412 5.574 5.268 1.00 0.00 C ATOM 0 H ALA A 25 8.658 4.141 7.157 1.00 0.00 H new ATOM 0 HA ALA A 25 10.893 4.046 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.988 6.200 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.721 4.955 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.849 6.207 5.955 1.00 0.00 H new ATOM 383 N SER A 26 10.970 5.981 7.998 1.00 0.00 N ATOM 384 CA SER A 26 11.853 6.770 8.838 1.00 0.00 C ATOM 385 C SER A 26 13.059 5.934 9.238 1.00 0.00 C ATOM 386 O SER A 26 14.087 6.464 9.658 1.00 0.00 O ATOM 387 CB SER A 26 11.112 7.261 10.084 1.00 0.00 C ATOM 388 OG SER A 26 10.812 8.642 9.989 1.00 0.00 O ATOM 0 H SER A 26 10.040 5.826 8.388 1.00 0.00 H new ATOM 0 HA SER A 26 12.191 7.641 8.276 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.190 6.693 10.210 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.722 7.078 10.969 1.00 0.00 H new ATOM 0 HG SER A 26 10.337 8.930 10.797 1.00 0.00 H new ATOM 394 N THR A 27 12.926 4.617 9.089 1.00 0.00 N ATOM 395 CA THR A 27 14.007 3.699 9.422 1.00 0.00 C ATOM 396 C THR A 27 14.890 3.454 8.204 1.00 0.00 C ATOM 397 O THR A 27 16.095 3.232 8.331 1.00 0.00 O ATOM 398 CB THR A 27 13.445 2.374 9.938 1.00 0.00 C ATOM 399 OG1 THR A 27 12.074 2.508 10.271 1.00 0.00 O ATOM 400 CG2 THR A 27 14.167 1.856 11.162 1.00 0.00 C ATOM 0 H THR A 27 12.081 4.165 8.740 1.00 0.00 H new ATOM 0 HA THR A 27 14.611 4.151 10.208 1.00 0.00 H new ATOM 0 HB THR A 27 13.586 1.662 9.125 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.731 1.650 10.598 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.719 0.913 11.477 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.219 1.696 10.924 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.084 2.584 11.969 1.00 0.00 H new ATOM 408 N ALA A 28 14.281 3.497 7.022 1.00 0.00 N ATOM 409 CA ALA A 28 15.008 3.283 5.779 1.00 0.00 C ATOM 410 C ALA A 28 16.209 4.213 5.685 1.00 0.00 C ATOM 411 O ALA A 28 17.339 3.768 5.478 1.00 0.00 O ATOM 412 CB ALA A 28 14.086 3.481 4.584 1.00 0.00 C ATOM 0 H ALA A 28 13.285 3.678 6.901 1.00 0.00 H new ATOM 0 HA ALA A 28 15.373 2.256 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.645 3.317 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.261 2.771 4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.691 4.497 4.593 1.00 0.00 H new ATOM 418 N HIS A 29 15.961 5.506 5.847 1.00 0.00 N ATOM 419 CA HIS A 29 17.029 6.495 5.789 1.00 0.00 C ATOM 420 C HIS A 29 18.124 6.140 6.787 1.00 0.00 C ATOM 421 O HIS A 29 19.312 6.298 6.505 1.00 0.00 O ATOM 422 CB HIS A 29 16.479 7.901 6.064 1.00 0.00 C ATOM 423 CG HIS A 29 16.552 8.318 7.502 1.00 0.00 C ATOM 424 ND1 HIS A 29 15.686 7.850 8.467 1.00 0.00 N ATOM 425 CD2 HIS A 29 17.393 9.170 8.136 1.00 0.00 C ATOM 426 CE1 HIS A 29 15.991 8.397 9.632 1.00 0.00 C ATOM 427 NE2 HIS A 29 17.022 9.201 9.457 1.00 0.00 N ATOM 0 H HIS A 29 15.033 5.893 6.019 1.00 0.00 H new ATOM 0 HA HIS A 29 17.457 6.490 4.786 1.00 0.00 H new ATOM 0 HB2 HIS A 29 17.032 8.620 5.460 1.00 0.00 H new ATOM 0 HB3 HIS A 29 15.440 7.943 5.737 1.00 0.00 H new ATOM 0 HD1 HIS A 29 14.929 7.186 8.308 1.00 0.00 H new ATOM 0 HD2 HIS A 29 18.205 9.722 7.686 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.482 8.216 10.567 1.00 0.00 H new ATOM 436 N ASP A 30 17.713 5.648 7.952 1.00 0.00 N ATOM 437 CA ASP A 30 18.657 5.256 8.988 1.00 0.00 C ATOM 438 C ASP A 30 19.611 4.190 8.461 1.00 0.00 C ATOM 439 O ASP A 30 20.791 4.168 8.810 1.00 0.00 O ATOM 440 CB ASP A 30 17.913 4.731 10.217 1.00 0.00 C ATOM 441 CG ASP A 30 18.739 4.840 11.484 1.00 0.00 C ATOM 442 OD1 ASP A 30 19.777 5.533 11.459 1.00 0.00 O ATOM 443 OD2 ASP A 30 18.347 4.231 12.502 1.00 0.00 O ATOM 0 H ASP A 30 16.733 5.512 8.200 1.00 0.00 H new ATOM 0 HA ASP A 30 19.235 6.134 9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.985 5.289 10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.638 3.689 10.054 1.00 0.00 H new ATOM 448 N VAL A 31 19.089 3.311 7.609 1.00 0.00 N ATOM 449 CA VAL A 31 19.894 2.247 7.025 1.00 0.00 C ATOM 450 C VAL A 31 20.934 2.823 6.076 1.00 0.00 C ATOM 451 O VAL A 31 22.131 2.799 6.365 1.00 0.00 O ATOM 452 CB VAL A 31 19.022 1.225 6.268 1.00 0.00 C ATOM 453 CG1 VAL A 31 19.787 -0.070 6.049 1.00 0.00 C ATOM 454 CG2 VAL A 31 17.725 0.966 7.022 1.00 0.00 C ATOM 0 H VAL A 31 18.114 3.316 7.310 1.00 0.00 H new ATOM 0 HA VAL A 31 20.394 1.733 7.846 1.00 0.00 H new ATOM 0 HB VAL A 31 18.771 1.641 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 31 19.156 -0.779 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 31 20.684 0.132 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.071 -0.493 7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.123 0.242 6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.952 0.571 8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.170 1.899 7.122 1.00 0.00 H new ATOM 464 N TYR A 32 20.474 3.361 4.953 1.00 0.00 N ATOM 465 CA TYR A 32 21.376 3.964 3.981 1.00 0.00 C ATOM 466 C TYR A 32 22.460 4.750 4.708 1.00 0.00 C ATOM 467 O TYR A 32 23.589 4.875 4.236 1.00 0.00 O ATOM 468 CB TYR A 32 20.602 4.887 3.036 1.00 0.00 C ATOM 469 CG TYR A 32 19.986 4.170 1.856 1.00 0.00 C ATOM 470 CD1 TYR A 32 19.340 2.950 2.018 1.00 0.00 C ATOM 471 CD2 TYR A 32 20.049 4.713 0.580 1.00 0.00 C ATOM 472 CE1 TYR A 32 18.774 2.293 0.941 1.00 0.00 C ATOM 473 CE2 TYR A 32 19.486 4.063 -0.501 1.00 0.00 C ATOM 474 CZ TYR A 32 18.851 2.853 -0.315 1.00 0.00 C ATOM 475 OH TYR A 32 18.291 2.201 -1.391 1.00 0.00 O ATOM 0 H TYR A 32 19.488 3.392 4.694 1.00 0.00 H new ATOM 0 HA TYR A 32 21.839 3.174 3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 32 19.814 5.388 3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 32 21.274 5.662 2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 32 19.279 2.508 3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 32 20.547 5.660 0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 32 18.274 1.346 1.084 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.543 4.500 -1.487 1.00 0.00 H new ATOM 0 HH TYR A 32 18.432 2.730 -2.204 1.00 0.00 H new ATOM 485 N SER A 33 22.088 5.272 5.872 1.00 0.00 N ATOM 486 CA SER A 33 22.988 6.049 6.712 1.00 0.00 C ATOM 487 C SER A 33 24.228 5.248 7.085 1.00 0.00 C ATOM 488 O SER A 33 25.340 5.565 6.660 1.00 0.00 O ATOM 489 CB SER A 33 22.255 6.460 7.980 1.00 0.00 C ATOM 490 OG SER A 33 22.444 7.835 8.263 1.00 0.00 O ATOM 0 H SER A 33 21.150 5.167 6.259 1.00 0.00 H new ATOM 0 HA SER A 33 23.306 6.929 6.153 1.00 0.00 H new ATOM 0 HB2 SER A 33 21.191 6.252 7.870 1.00 0.00 H new ATOM 0 HB3 SER A 33 22.612 5.862 8.819 1.00 0.00 H new ATOM 0 HG SER A 33 21.960 8.070 9.082 1.00 0.00 H new ATOM 496 N PHE A 34 24.022 4.204 7.880 1.00 0.00 N ATOM 497 CA PHE A 34 25.115 3.340 8.318 1.00 0.00 C ATOM 498 C PHE A 34 25.477 2.337 7.228 1.00 0.00 C ATOM 499 O PHE A 34 26.246 1.403 7.459 1.00 0.00 O ATOM 500 CB PHE A 34 24.720 2.596 9.597 1.00 0.00 C ATOM 501 CG PHE A 34 25.648 2.842 10.755 1.00 0.00 C ATOM 502 CD1 PHE A 34 26.987 2.492 10.677 1.00 0.00 C ATOM 503 CD2 PHE A 34 25.177 3.420 11.923 1.00 0.00 C ATOM 504 CE1 PHE A 34 27.838 2.716 11.743 1.00 0.00 C ATOM 505 CE2 PHE A 34 26.024 3.644 12.993 1.00 0.00 C ATOM 506 CZ PHE A 34 27.356 3.292 12.902 1.00 0.00 C ATOM 0 H PHE A 34 23.105 3.934 8.236 1.00 0.00 H new ATOM 0 HA PHE A 34 25.985 3.965 8.521 1.00 0.00 H new ATOM 0 HB2 PHE A 34 23.711 2.894 9.883 1.00 0.00 H new ATOM 0 HB3 PHE A 34 24.689 1.526 9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 34 27.369 2.040 9.774 1.00 0.00 H new ATOM 0 HD2 PHE A 34 24.136 3.699 11.999 1.00 0.00 H new ATOM 0 HE1 PHE A 34 28.880 2.441 11.670 1.00 0.00 H new ATOM 0 HE2 PHE A 34 25.644 4.094 13.899 1.00 0.00 H new ATOM 0 HZ PHE A 34 28.020 3.467 13.736 1.00 0.00 H new ATOM 516 N PHE A 35 24.912 2.533 6.042 1.00 0.00 N ATOM 517 CA PHE A 35 25.164 1.645 4.916 1.00 0.00 C ATOM 518 C PHE A 35 26.492 1.948 4.238 1.00 0.00 C ATOM 519 O PHE A 35 27.449 1.189 4.369 1.00 0.00 O ATOM 520 CB PHE A 35 24.027 1.734 3.899 1.00 0.00 C ATOM 521 CG PHE A 35 23.366 0.417 3.665 1.00 0.00 C ATOM 522 CD1 PHE A 35 23.243 -0.500 4.693 1.00 0.00 C ATOM 523 CD2 PHE A 35 22.897 0.085 2.409 1.00 0.00 C ATOM 524 CE1 PHE A 35 22.665 -1.734 4.469 1.00 0.00 C ATOM 525 CE2 PHE A 35 22.311 -1.143 2.178 1.00 0.00 C ATOM 526 CZ PHE A 35 22.198 -2.054 3.209 1.00 0.00 C ATOM 0 H PHE A 35 24.274 3.302 5.836 1.00 0.00 H new ATOM 0 HA PHE A 35 25.216 0.630 5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 35 23.286 2.452 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 35 24.417 2.114 2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 35 23.602 -0.249 5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 35 22.990 0.794 1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 35 22.578 -2.446 5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 35 21.942 -1.390 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 35 21.744 -3.018 3.030 1.00 0.00 H new ATOM 536 N LYS A 36 26.545 3.051 3.509 1.00 0.00 N ATOM 537 CA LYS A 36 27.763 3.435 2.808 1.00 0.00 C ATOM 538 C LYS A 36 28.994 3.140 3.655 1.00 0.00 C ATOM 539 O LYS A 36 29.969 2.573 3.162 1.00 0.00 O ATOM 540 CB LYS A 36 27.722 4.915 2.415 1.00 0.00 C ATOM 541 CG LYS A 36 26.540 5.272 1.527 1.00 0.00 C ATOM 542 CD LYS A 36 25.720 6.406 2.121 1.00 0.00 C ATOM 543 CE LYS A 36 26.264 7.763 1.708 1.00 0.00 C ATOM 544 NZ LYS A 36 25.242 8.581 0.998 1.00 0.00 N ATOM 0 H LYS A 36 25.763 3.695 3.386 1.00 0.00 H new ATOM 0 HA LYS A 36 27.827 2.841 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 36 27.684 5.522 3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.646 5.171 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.900 5.560 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 36 25.907 4.395 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 36 24.683 6.315 1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 36 25.723 6.327 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 36 26.608 8.300 2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 36 27.131 7.625 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 25.654 9.499 0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 24.932 8.081 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 24.425 8.735 1.623 1.00 0.00 H new ATOM 558 N PRO A 37 28.972 3.507 4.946 1.00 0.00 N ATOM 559 CA PRO A 37 30.100 3.257 5.842 1.00 0.00 C ATOM 560 C PRO A 37 30.523 1.791 5.835 1.00 0.00 C ATOM 561 O PRO A 37 31.619 1.453 6.285 1.00 0.00 O ATOM 562 CB PRO A 37 29.560 3.655 7.218 1.00 0.00 C ATOM 563 CG PRO A 37 28.480 4.636 6.927 1.00 0.00 C ATOM 564 CD PRO A 37 27.856 4.184 5.637 1.00 0.00 C ATOM 0 HA PRO A 37 30.989 3.813 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 37 29.175 2.790 7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 37 30.340 4.097 7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 37 27.744 4.658 7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 37 28.882 5.645 6.835 1.00 0.00 H new ATOM 0 HD2 PRO A 37 27.019 3.508 5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 37 27.473 5.024 5.058 1.00 0.00 H new ATOM 572 N LYS A 38 29.653 0.919 5.325 1.00 0.00 N ATOM 573 CA LYS A 38 29.957 -0.507 5.273 1.00 0.00 C ATOM 574 C LYS A 38 28.950 -1.291 4.425 1.00 0.00 C ATOM 575 O LYS A 38 28.594 -2.417 4.776 1.00 0.00 O ATOM 576 CB LYS A 38 29.997 -1.085 6.689 1.00 0.00 C ATOM 577 CG LYS A 38 28.662 -1.020 7.411 1.00 0.00 C ATOM 578 CD LYS A 38 28.605 -2.008 8.564 1.00 0.00 C ATOM 579 CE LYS A 38 29.438 -1.535 9.742 1.00 0.00 C ATOM 580 NZ LYS A 38 28.630 -1.434 10.989 1.00 0.00 N ATOM 0 H LYS A 38 28.741 1.174 4.946 1.00 0.00 H new ATOM 0 HA LYS A 38 30.933 -0.609 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 38 30.323 -2.124 6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 38 30.743 -0.544 7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 38 28.499 -0.010 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 38 27.856 -1.232 6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 38 27.570 -2.142 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 38 28.965 -2.981 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 38 30.266 -2.225 9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 38 29.873 -0.563 9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 29.235 -1.108 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 27.854 -0.756 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 28.235 -2.367 11.224 1.00 0.00 H new ATOM 594 N HIS A 39 28.503 -0.710 3.307 1.00 0.00 N ATOM 595 CA HIS A 39 27.554 -1.389 2.421 1.00 0.00 C ATOM 596 C HIS A 39 27.807 -2.892 2.405 1.00 0.00 C ATOM 597 O HIS A 39 26.946 -3.686 2.783 1.00 0.00 O ATOM 598 CB HIS A 39 27.690 -0.839 1.002 1.00 0.00 C ATOM 599 CG HIS A 39 26.802 0.319 0.716 1.00 0.00 C ATOM 600 ND1 HIS A 39 27.287 1.539 0.314 1.00 0.00 N ATOM 601 CD2 HIS A 39 25.459 0.454 0.794 1.00 0.00 C ATOM 602 CE1 HIS A 39 26.287 2.381 0.164 1.00 0.00 C ATOM 603 NE2 HIS A 39 25.163 1.750 0.446 1.00 0.00 N ATOM 0 H HIS A 39 28.781 0.221 2.996 1.00 0.00 H new ATOM 0 HA HIS A 39 26.546 -1.207 2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 39 28.725 -0.540 0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 39 27.471 -1.636 0.292 1.00 0.00 H new ATOM 0 HD2 HIS A 39 24.752 -0.312 1.077 1.00 0.00 H new ATOM 0 HE1 HIS A 39 26.372 3.414 -0.139 1.00 0.00 H new ATOM 0 HE2 HIS A 39 24.228 2.157 0.411 1.00 0.00 H new ATOM 612 N LYS A 40 28.999 -3.271 1.963 1.00 0.00 N ATOM 613 CA LYS A 40 29.384 -4.675 1.890 1.00 0.00 C ATOM 614 C LYS A 40 30.867 -4.848 2.205 1.00 0.00 C ATOM 615 O LYS A 40 31.569 -5.608 1.538 1.00 0.00 O ATOM 616 CB LYS A 40 29.080 -5.238 0.500 1.00 0.00 C ATOM 617 CG LYS A 40 28.151 -6.442 0.520 1.00 0.00 C ATOM 618 CD LYS A 40 27.038 -6.302 -0.506 1.00 0.00 C ATOM 619 CE LYS A 40 25.763 -5.766 0.125 1.00 0.00 C ATOM 620 NZ LYS A 40 24.548 -6.414 -0.439 1.00 0.00 N ATOM 0 H LYS A 40 29.720 -2.622 1.648 1.00 0.00 H new ATOM 0 HA LYS A 40 28.804 -5.224 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 40 28.632 -4.454 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 40 30.016 -5.520 0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 40 28.723 -7.348 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 40 27.719 -6.553 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 40 27.359 -5.633 -1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 40 26.839 -7.271 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 40 25.795 -5.930 1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 40 25.706 -4.689 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.701 -6.020 0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 24.503 -6.236 -1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 24.590 -7.439 -0.267 1.00 0.00 H new ATOM 634 N LYS A 41 31.338 -4.137 3.224 1.00 0.00 N ATOM 635 CA LYS A 41 32.738 -4.213 3.624 1.00 0.00 C ATOM 636 C LYS A 41 33.653 -4.128 2.407 1.00 0.00 C ATOM 637 O LYS A 41 34.319 -5.100 2.049 1.00 0.00 O ATOM 638 CB LYS A 41 33.001 -5.512 4.387 1.00 0.00 C ATOM 639 CG LYS A 41 32.721 -5.408 5.878 1.00 0.00 C ATOM 640 CD LYS A 41 32.962 -6.734 6.583 1.00 0.00 C ATOM 641 CE LYS A 41 31.661 -7.345 7.076 1.00 0.00 C ATOM 642 NZ LYS A 41 31.784 -7.863 8.467 1.00 0.00 N ATOM 0 H LYS A 41 30.772 -3.503 3.787 1.00 0.00 H new ATOM 0 HA LYS A 41 32.953 -3.368 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 41 32.383 -6.304 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.040 -5.806 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 41 33.358 -4.640 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 41 31.689 -5.093 6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 41 33.455 -7.426 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 41 33.637 -6.582 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 41 30.870 -6.596 7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 41 31.366 -8.157 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 30.876 -8.272 8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 32.521 -8.596 8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 32.041 -7.084 9.106 1.00 0.00 H new ATOM 656 N LYS A 42 33.681 -2.960 1.776 1.00 0.00 N ATOM 657 CA LYS A 42 34.512 -2.748 0.596 1.00 0.00 C ATOM 658 C LYS A 42 35.664 -1.797 0.908 1.00 0.00 C ATOM 659 O LYS A 42 35.578 -0.614 0.515 1.00 0.00 O ATOM 660 CB LYS A 42 33.673 -2.188 -0.557 1.00 0.00 C ATOM 661 CG LYS A 42 32.193 -2.061 -0.230 1.00 0.00 C ATOM 662 CD LYS A 42 31.434 -1.357 -1.343 1.00 0.00 C ATOM 663 CE LYS A 42 31.854 -1.865 -2.711 1.00 0.00 C ATOM 664 NZ LYS A 42 32.959 -1.052 -3.290 1.00 0.00 N ATOM 665 OXT LYS A 42 36.644 -2.243 1.541 1.00 0.00 O ATOM 0 H LYS A 42 33.138 -2.145 2.061 1.00 0.00 H new ATOM 0 HA LYS A 42 34.926 -3.711 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 42 34.060 -1.208 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 42 33.790 -2.834 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 42 31.769 -3.052 -0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 42 32.071 -1.508 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 42 30.363 -1.512 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 42 31.611 -0.283 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.172 -2.904 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 42 30.997 -1.845 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 32.665 -0.675 -4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.182 -0.264 -2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 33.802 -1.649 -3.412 1.00 0.00 H new TER 679 LYS A 42