USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 392 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 Set 1.1: A 34 GLN : amide:sc= -0.0737 K(o=0.32,f=1.4) USER MOD Set 1.2: A 38 TYR OH : rot 165:sc= 0.39 USER MOD Set 2.1: A 17 MET CE :methyl -170:sc= -9.23! (180deg=-9.53!) USER MOD Set 2.2: A 23 SER OG : rot -26:sc= 0.154 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -82:sc= 1.27 USER MOD Single : A 13 SER OG : rot -38:sc= -0.808 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -19.7! C(o=-20!,f=-25!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -160:sc= -0.0757 (180deg=-0.795) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -28:sc= 0.942 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.48! C(o=-5.5!,f=-5.1!) USER MOD Single : A 46 THR OG1 : rot 81:sc= 0.222 USER MOD Single : A 48 GLN : amide:sc= -2.76 K(o=-2.8,f=-0.47) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0677 USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= -0.199 (180deg=-1.08) USER MOD Single : A 52 HIS : no HD1:sc= -1.99! K(o=-2!,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.291 -17.683 4.962 1.00 0.00 N ATOM 2 CA GLY A 1 27.504 -17.414 3.514 1.00 0.00 C ATOM 3 C GLY A 1 27.685 -15.937 3.220 1.00 0.00 C ATOM 4 O GLY A 1 26.750 -15.150 3.362 1.00 0.00 O ATOM 0 H1 GLY A 1 27.173 -18.705 5.111 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.114 -17.347 5.502 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.437 -17.185 5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.383 -17.960 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.653 -17.793 2.948 1.00 0.00 H new ATOM 10 N SER A 2 28.891 -15.561 2.809 1.00 0.00 N ATOM 11 CA SER A 2 29.192 -14.170 2.494 1.00 0.00 C ATOM 12 C SER A 2 29.603 -14.025 1.033 1.00 0.00 C ATOM 13 O SER A 2 30.712 -14.397 0.650 1.00 0.00 O ATOM 14 CB SER A 2 30.305 -13.649 3.404 1.00 0.00 C ATOM 15 OG SER A 2 30.081 -12.297 3.763 1.00 0.00 O ATOM 0 H SER A 2 29.676 -16.201 2.686 1.00 0.00 H new ATOM 0 HA SER A 2 28.291 -13.580 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.361 -14.263 4.303 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.266 -13.739 2.897 1.00 0.00 H new ATOM 0 HG SER A 2 30.387 -11.711 3.039 1.00 0.00 H new ATOM 21 N PRO A 3 28.707 -13.483 0.196 1.00 0.00 N ATOM 22 CA PRO A 3 28.957 -13.289 -1.218 1.00 0.00 C ATOM 23 C PRO A 3 29.457 -11.885 -1.525 1.00 0.00 C ATOM 24 O PRO A 3 29.198 -10.946 -0.773 1.00 0.00 O ATOM 25 CB PRO A 3 27.571 -13.506 -1.825 1.00 0.00 C ATOM 26 CG PRO A 3 26.592 -13.157 -0.740 1.00 0.00 C ATOM 27 CD PRO A 3 27.368 -13.014 0.552 1.00 0.00 C ATOM 0 HA PRO A 3 29.729 -13.954 -1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 3 27.425 -12.875 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 3 27.443 -14.539 -2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 3 26.072 -12.229 -0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 3 25.833 -13.933 -0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 3 27.383 -11.981 0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 3 26.932 -13.613 1.351 1.00 0.00 H new ATOM 35 N PRO A 4 30.173 -11.721 -2.644 1.00 0.00 N ATOM 36 CA PRO A 4 30.700 -10.421 -3.061 1.00 0.00 C ATOM 37 C PRO A 4 29.578 -9.433 -3.349 1.00 0.00 C ATOM 38 O PRO A 4 29.434 -8.953 -4.473 1.00 0.00 O ATOM 39 CB PRO A 4 31.479 -10.732 -4.345 1.00 0.00 C ATOM 40 CG PRO A 4 31.690 -12.208 -4.330 1.00 0.00 C ATOM 41 CD PRO A 4 30.514 -12.785 -3.597 1.00 0.00 C ATOM 0 HA PRO A 4 31.314 -9.960 -2.288 1.00 0.00 H new ATOM 0 HB2 PRO A 4 30.920 -10.424 -5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 4 32.430 -10.199 -4.367 1.00 0.00 H new ATOM 0 HG2 PRO A 4 31.751 -12.604 -5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 4 32.625 -12.464 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 4 29.686 -13.006 -4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 4 30.770 -13.716 -3.090 1.00 0.00 H new ATOM 49 N GLU A 5 28.778 -9.140 -2.329 1.00 0.00 N ATOM 50 CA GLU A 5 27.663 -8.219 -2.482 1.00 0.00 C ATOM 51 C GLU A 5 27.423 -7.426 -1.202 1.00 0.00 C ATOM 52 O GLU A 5 26.299 -7.370 -0.704 1.00 0.00 O ATOM 53 CB GLU A 5 26.395 -8.982 -2.863 1.00 0.00 C ATOM 54 CG GLU A 5 25.421 -8.166 -3.696 1.00 0.00 C ATOM 55 CD GLU A 5 23.973 -8.471 -3.364 1.00 0.00 C ATOM 56 OE1 GLU A 5 23.733 -9.274 -2.437 1.00 0.00 O ATOM 57 OE2 GLU A 5 23.080 -7.907 -4.029 1.00 0.00 O ATOM 0 H GLU A 5 28.882 -9.527 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 5 27.915 -7.518 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 5 26.673 -9.878 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 5 25.893 -9.313 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 5 25.611 -7.105 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 5 25.597 -8.365 -4.753 1.00 0.00 H new ATOM 64 N ALA A 6 28.482 -6.808 -0.684 1.00 0.00 N ATOM 65 CA ALA A 6 28.385 -6.006 0.529 1.00 0.00 C ATOM 66 C ALA A 6 28.658 -6.842 1.767 1.00 0.00 C ATOM 67 O ALA A 6 27.754 -7.131 2.550 1.00 0.00 O ATOM 68 CB ALA A 6 27.022 -5.336 0.630 1.00 0.00 C ATOM 0 H ALA A 6 29.418 -6.849 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 6 29.148 -5.230 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.975 -4.743 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.871 -4.686 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 6 26.243 -6.098 0.651 1.00 0.00 H new ATOM 74 N ASP A 7 29.917 -7.206 1.945 1.00 0.00 N ATOM 75 CA ASP A 7 30.334 -7.985 3.095 1.00 0.00 C ATOM 76 C ASP A 7 31.009 -7.060 4.089 1.00 0.00 C ATOM 77 O ASP A 7 31.535 -6.018 3.696 1.00 0.00 O ATOM 78 CB ASP A 7 31.292 -9.103 2.677 1.00 0.00 C ATOM 79 CG ASP A 7 30.816 -9.840 1.439 1.00 0.00 C ATOM 80 OD1 ASP A 7 30.077 -10.835 1.588 1.00 0.00 O ATOM 81 OD2 ASP A 7 31.185 -9.423 0.321 1.00 0.00 O ATOM 0 H ASP A 7 30.672 -6.971 1.301 1.00 0.00 H new ATOM 0 HA ASP A 7 29.461 -8.449 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.279 -8.680 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 7 31.401 -9.811 3.499 1.00 0.00 H new ATOM 86 N PRO A 8 31.009 -7.414 5.382 1.00 0.00 N ATOM 87 CA PRO A 8 31.636 -6.598 6.408 1.00 0.00 C ATOM 88 C PRO A 8 32.816 -5.825 5.837 1.00 0.00 C ATOM 89 O PRO A 8 32.866 -4.598 5.904 1.00 0.00 O ATOM 90 CB PRO A 8 32.080 -7.651 7.416 1.00 0.00 C ATOM 91 CG PRO A 8 31.026 -8.713 7.336 1.00 0.00 C ATOM 92 CD PRO A 8 30.425 -8.639 5.946 1.00 0.00 C ATOM 0 HA PRO A 8 30.986 -5.836 6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.064 -8.049 7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.149 -7.235 8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 8 31.457 -9.698 7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.261 -8.554 8.096 1.00 0.00 H new ATOM 0 HD2 PRO A 8 30.681 -9.516 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.337 -8.585 5.982 1.00 0.00 H new ATOM 100 N ARG A 9 33.754 -6.563 5.257 1.00 0.00 N ATOM 101 CA ARG A 9 34.937 -5.977 4.646 1.00 0.00 C ATOM 102 C ARG A 9 34.569 -4.873 3.657 1.00 0.00 C ATOM 103 O ARG A 9 34.802 -3.700 3.907 1.00 0.00 O ATOM 104 CB ARG A 9 35.718 -7.067 3.913 1.00 0.00 C ATOM 105 CG ARG A 9 36.115 -8.233 4.805 1.00 0.00 C ATOM 106 CD ARG A 9 36.730 -7.752 6.111 1.00 0.00 C ATOM 107 NE ARG A 9 37.701 -8.703 6.647 1.00 0.00 N ATOM 108 CZ ARG A 9 38.283 -8.571 7.834 1.00 0.00 C ATOM 109 NH1 ARG A 9 37.982 -7.539 8.612 1.00 0.00 N ATOM 110 NH2 ARG A 9 39.167 -9.470 8.248 1.00 0.00 N ATOM 0 H ARG A 9 33.715 -7.581 5.198 1.00 0.00 H new ATOM 0 HA ARG A 9 35.544 -5.537 5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.115 -7.441 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 9 36.617 -6.629 3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 9 35.238 -8.844 5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 9 36.827 -8.869 4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 9 37.217 -6.790 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.940 -7.589 6.844 1.00 0.00 H new ATOM 0 HE ARG A 9 37.946 -9.514 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 9 37.303 -6.845 8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 9 38.430 -7.439 9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.402 -10.266 7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 9 39.612 -9.365 9.160 1.00 0.00 H new ATOM 124 N LEU A 10 34.005 -5.274 2.524 1.00 0.00 N ATOM 125 CA LEU A 10 33.619 -4.340 1.479 1.00 0.00 C ATOM 126 C LEU A 10 32.639 -3.304 2.012 1.00 0.00 C ATOM 127 O LEU A 10 32.626 -2.156 1.577 1.00 0.00 O ATOM 128 CB LEU A 10 33.025 -5.100 0.293 1.00 0.00 C ATOM 129 CG LEU A 10 34.033 -5.934 -0.508 1.00 0.00 C ATOM 130 CD1 LEU A 10 34.742 -5.073 -1.539 1.00 0.00 C ATOM 131 CD2 LEU A 10 35.054 -6.586 0.414 1.00 0.00 C ATOM 0 H LEU A 10 33.804 -6.250 2.307 1.00 0.00 H new ATOM 0 HA LEU A 10 34.508 -3.808 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.239 -5.760 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 10 32.552 -4.384 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 10 33.480 -6.719 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 10 35.453 -5.684 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 10 34.009 -4.651 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 10 35.274 -4.266 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 10 35.757 -7.172 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 10 35.595 -5.814 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 10 34.542 -7.240 1.120 1.00 0.00 H new ATOM 143 N ILE A 11 31.854 -3.695 2.998 1.00 0.00 N ATOM 144 CA ILE A 11 30.924 -2.767 3.609 1.00 0.00 C ATOM 145 C ILE A 11 31.692 -1.868 4.572 1.00 0.00 C ATOM 146 O ILE A 11 31.249 -0.775 4.922 1.00 0.00 O ATOM 147 CB ILE A 11 29.760 -3.507 4.329 1.00 0.00 C ATOM 148 CG1 ILE A 11 28.432 -3.169 3.654 1.00 0.00 C ATOM 149 CG2 ILE A 11 29.695 -3.175 5.818 1.00 0.00 C ATOM 150 CD1 ILE A 11 27.262 -3.954 4.204 1.00 0.00 C ATOM 0 H ILE A 11 31.841 -4.637 3.389 1.00 0.00 H new ATOM 0 HA ILE A 11 30.464 -2.158 2.831 1.00 0.00 H new ATOM 0 HB ILE A 11 29.952 -4.577 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 11 28.233 -2.104 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 11 28.518 -3.360 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 11 28.867 -3.716 6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 11 30.629 -3.469 6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 11 29.543 -2.103 5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.351 -3.664 3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.440 -5.020 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 11 27.151 -3.744 5.268 1.00 0.00 H new ATOM 162 N GLU A 12 32.860 -2.353 4.974 1.00 0.00 N ATOM 163 CA GLU A 12 33.730 -1.620 5.881 1.00 0.00 C ATOM 164 C GLU A 12 34.793 -0.835 5.113 1.00 0.00 C ATOM 165 O GLU A 12 34.881 0.387 5.228 1.00 0.00 O ATOM 166 CB GLU A 12 34.399 -2.581 6.864 1.00 0.00 C ATOM 167 CG GLU A 12 33.550 -2.884 8.088 1.00 0.00 C ATOM 168 CD GLU A 12 33.771 -4.287 8.621 1.00 0.00 C ATOM 169 OE1 GLU A 12 34.940 -4.649 8.875 1.00 0.00 O ATOM 170 OE2 GLU A 12 32.775 -5.022 8.787 1.00 0.00 O ATOM 0 H GLU A 12 33.228 -3.259 4.682 1.00 0.00 H new ATOM 0 HA GLU A 12 33.116 -0.910 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 12 34.627 -3.514 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 12 35.349 -2.155 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 12 33.779 -2.162 8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 12 32.497 -2.757 7.835 1.00 0.00 H new ATOM 177 N SER A 13 35.621 -1.556 4.359 1.00 0.00 N ATOM 178 CA SER A 13 36.709 -0.946 3.604 1.00 0.00 C ATOM 179 C SER A 13 36.317 -0.547 2.177 1.00 0.00 C ATOM 180 O SER A 13 36.818 0.455 1.667 1.00 0.00 O ATOM 181 CB SER A 13 37.910 -1.892 3.557 1.00 0.00 C ATOM 182 OG SER A 13 37.564 -3.129 2.958 1.00 0.00 O ATOM 0 H SER A 13 35.557 -2.569 4.256 1.00 0.00 H new ATOM 0 HA SER A 13 36.966 -0.026 4.130 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.721 -1.427 2.996 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.280 -2.065 4.568 1.00 0.00 H new ATOM 0 HG SER A 13 36.657 -3.382 3.231 1.00 0.00 H new ATOM 188 N LEU A 14 35.440 -1.310 1.515 1.00 0.00 N ATOM 189 CA LEU A 14 35.057 -0.952 0.146 1.00 0.00 C ATOM 190 C LEU A 14 34.149 0.258 0.172 1.00 0.00 C ATOM 191 O LEU A 14 34.547 1.335 -0.266 1.00 0.00 O ATOM 192 CB LEU A 14 34.394 -2.111 -0.608 1.00 0.00 C ATOM 193 CG LEU A 14 34.321 -1.918 -2.125 1.00 0.00 C ATOM 194 CD1 LEU A 14 35.466 -2.645 -2.813 1.00 0.00 C ATOM 195 CD2 LEU A 14 32.980 -2.396 -2.659 1.00 0.00 C ATOM 0 H LEU A 14 34.996 -2.149 1.888 1.00 0.00 H new ATOM 0 HA LEU A 14 35.971 -0.715 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 14 34.944 -3.028 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.384 -2.249 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 14 34.415 -0.854 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 14 35.397 -2.496 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 14 36.416 -2.251 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 14 35.407 -3.710 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 14 32.946 -2.251 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 14 32.854 -3.454 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 14 32.178 -1.826 -2.191 1.00 0.00 H new ATOM 207 N SER A 15 32.939 0.100 0.701 1.00 0.00 N ATOM 208 CA SER A 15 32.020 1.228 0.795 1.00 0.00 C ATOM 209 C SER A 15 32.812 2.448 1.235 1.00 0.00 C ATOM 210 O SER A 15 32.926 3.428 0.505 1.00 0.00 O ATOM 211 CB SER A 15 30.898 0.930 1.791 1.00 0.00 C ATOM 212 OG SER A 15 29.745 1.704 1.509 1.00 0.00 O ATOM 0 H SER A 15 32.577 -0.782 1.065 1.00 0.00 H new ATOM 0 HA SER A 15 31.557 1.411 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 15 30.646 -0.130 1.753 1.00 0.00 H new ATOM 0 HB3 SER A 15 31.242 1.140 2.804 1.00 0.00 H new ATOM 0 HG SER A 15 29.042 1.493 2.159 1.00 0.00 H new ATOM 218 N GLN A 16 33.380 2.365 2.433 1.00 0.00 N ATOM 219 CA GLN A 16 34.195 3.448 2.958 1.00 0.00 C ATOM 220 C GLN A 16 35.057 4.023 1.843 1.00 0.00 C ATOM 221 O GLN A 16 35.287 5.226 1.780 1.00 0.00 O ATOM 222 CB GLN A 16 35.096 2.942 4.092 1.00 0.00 C ATOM 223 CG GLN A 16 36.105 3.972 4.584 1.00 0.00 C ATOM 224 CD GLN A 16 37.202 4.272 3.573 1.00 0.00 C ATOM 225 OE1 GLN A 16 37.421 3.512 2.630 1.00 0.00 O ATOM 226 NE2 GLN A 16 37.897 5.389 3.762 1.00 0.00 N ATOM 0 H GLN A 16 33.290 1.561 3.055 1.00 0.00 H new ATOM 0 HA GLN A 16 33.537 4.222 3.352 1.00 0.00 H new ATOM 0 HB2 GLN A 16 34.471 2.632 4.929 1.00 0.00 H new ATOM 0 HB3 GLN A 16 35.632 2.057 3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 16 35.581 4.897 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 16 36.560 3.612 5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 16 37.685 5.993 4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 16 38.642 5.642 3.113 1.00 0.00 H new ATOM 235 N MET A 17 35.532 3.146 0.961 1.00 0.00 N ATOM 236 CA MET A 17 36.367 3.562 -0.156 1.00 0.00 C ATOM 237 C MET A 17 35.578 4.469 -1.093 1.00 0.00 C ATOM 238 O MET A 17 36.110 5.449 -1.618 1.00 0.00 O ATOM 239 CB MET A 17 36.918 2.335 -0.900 1.00 0.00 C ATOM 240 CG MET A 17 36.170 1.975 -2.176 1.00 0.00 C ATOM 241 SD MET A 17 36.946 2.665 -3.649 1.00 0.00 S ATOM 242 CE MET A 17 35.636 3.722 -4.258 1.00 0.00 C ATOM 0 H MET A 17 35.351 2.143 1.001 1.00 0.00 H new ATOM 0 HA MET A 17 37.216 4.128 0.228 1.00 0.00 H new ATOM 0 HB2 MET A 17 37.964 2.517 -1.147 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.894 1.478 -0.227 1.00 0.00 H new ATOM 0 HG2 MET A 17 36.120 0.890 -2.270 1.00 0.00 H new ATOM 0 HG3 MET A 17 35.144 2.337 -2.106 1.00 0.00 H new ATOM 0 HE1 MET A 17 35.892 4.081 -5.255 1.00 0.00 H new ATOM 0 HE2 MET A 17 34.705 3.158 -4.304 1.00 0.00 H new ATOM 0 HE3 MET A 17 35.513 4.572 -3.587 1.00 0.00 H new ATOM 252 N LEU A 18 34.299 4.154 -1.277 1.00 0.00 N ATOM 253 CA LEU A 18 33.429 4.960 -2.127 1.00 0.00 C ATOM 254 C LEU A 18 32.651 5.963 -1.273 1.00 0.00 C ATOM 255 O LEU A 18 32.766 7.176 -1.453 1.00 0.00 O ATOM 256 CB LEU A 18 32.465 4.057 -2.901 1.00 0.00 C ATOM 257 CG LEU A 18 31.304 4.772 -3.592 1.00 0.00 C ATOM 258 CD1 LEU A 18 31.817 5.667 -4.712 1.00 0.00 C ATOM 259 CD2 LEU A 18 30.305 3.759 -4.132 1.00 0.00 C ATOM 0 H LEU A 18 33.843 3.348 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 18 34.040 5.509 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 18 33.032 3.511 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.055 3.318 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 18 30.798 5.399 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 18 30.976 6.167 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.496 6.413 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.347 5.062 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 18 29.484 4.283 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 18 30.800 3.108 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 18 29.914 3.160 -3.310 1.00 0.00 H new ATOM 271 N SER A 19 31.847 5.436 -0.350 1.00 0.00 N ATOM 272 CA SER A 19 31.020 6.251 0.547 1.00 0.00 C ATOM 273 C SER A 19 31.801 7.377 1.240 1.00 0.00 C ATOM 274 O SER A 19 31.197 8.261 1.850 1.00 0.00 O ATOM 275 CB SER A 19 30.370 5.358 1.607 1.00 0.00 C ATOM 276 OG SER A 19 28.993 5.658 1.752 1.00 0.00 O ATOM 0 H SER A 19 31.749 4.432 -0.201 1.00 0.00 H new ATOM 0 HA SER A 19 30.262 6.726 -0.076 1.00 0.00 H new ATOM 0 HB2 SER A 19 30.490 4.311 1.328 1.00 0.00 H new ATOM 0 HB3 SER A 19 30.877 5.494 2.562 1.00 0.00 H new ATOM 0 HG SER A 19 28.601 5.073 2.433 1.00 0.00 H new ATOM 282 N MET A 20 33.129 7.366 1.138 1.00 0.00 N ATOM 283 CA MET A 20 33.938 8.416 1.746 1.00 0.00 C ATOM 284 C MET A 20 34.196 9.522 0.735 1.00 0.00 C ATOM 285 O MET A 20 34.340 10.690 1.095 1.00 0.00 O ATOM 286 CB MET A 20 35.266 7.861 2.259 1.00 0.00 C ATOM 287 CG MET A 20 35.130 7.069 3.549 1.00 0.00 C ATOM 288 SD MET A 20 35.036 8.128 5.005 1.00 0.00 S ATOM 289 CE MET A 20 34.372 6.986 6.215 1.00 0.00 C ATOM 0 H MET A 20 33.661 6.649 0.645 1.00 0.00 H new ATOM 0 HA MET A 20 33.387 8.821 2.595 1.00 0.00 H new ATOM 0 HB2 MET A 20 35.704 7.221 1.493 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.959 8.687 2.420 1.00 0.00 H new ATOM 0 HG2 MET A 20 34.236 6.448 3.497 1.00 0.00 H new ATOM 0 HG3 MET A 20 35.981 6.395 3.649 1.00 0.00 H new ATOM 0 HE1 MET A 20 33.929 7.546 7.039 1.00 0.00 H new ATOM 0 HE2 MET A 20 33.609 6.363 5.747 1.00 0.00 H new ATOM 0 HE3 MET A 20 35.173 6.353 6.596 1.00 0.00 H new ATOM 299 N GLY A 21 34.250 9.138 -0.533 1.00 0.00 N ATOM 300 CA GLY A 21 34.486 10.099 -1.588 1.00 0.00 C ATOM 301 C GLY A 21 35.807 9.879 -2.295 1.00 0.00 C ATOM 302 O GLY A 21 36.360 10.808 -2.884 1.00 0.00 O ATOM 0 H GLY A 21 34.134 8.175 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.676 10.041 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.466 11.105 -1.169 1.00 0.00 H new ATOM 306 N PHE A 22 36.319 8.649 -2.250 1.00 0.00 N ATOM 307 CA PHE A 22 37.573 8.326 -2.901 1.00 0.00 C ATOM 308 C PHE A 22 37.377 7.115 -3.788 1.00 0.00 C ATOM 309 O PHE A 22 36.259 6.619 -3.933 1.00 0.00 O ATOM 310 CB PHE A 22 38.663 8.037 -1.869 1.00 0.00 C ATOM 311 CG PHE A 22 38.583 8.903 -0.648 1.00 0.00 C ATOM 312 CD1 PHE A 22 38.878 10.255 -0.721 1.00 0.00 C ATOM 313 CD2 PHE A 22 38.216 8.366 0.573 1.00 0.00 C ATOM 314 CE1 PHE A 22 38.809 11.054 0.404 1.00 0.00 C ATOM 315 CE2 PHE A 22 38.144 9.158 1.701 1.00 0.00 C ATOM 316 CZ PHE A 22 38.441 10.504 1.616 1.00 0.00 C ATOM 0 H PHE A 22 35.879 7.865 -1.768 1.00 0.00 H new ATOM 0 HA PHE A 22 37.887 9.180 -3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 22 38.597 6.992 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.638 8.173 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 22 39.165 10.689 -1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 22 37.983 7.314 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 22 39.042 12.106 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 22 37.856 8.726 2.648 1.00 0.00 H new ATOM 0 HZ PHE A 22 38.385 11.126 2.497 1.00 0.00 H new ATOM 326 N SER A 23 38.456 6.632 -4.372 1.00 0.00 N ATOM 327 CA SER A 23 38.372 5.470 -5.231 1.00 0.00 C ATOM 328 C SER A 23 39.743 4.812 -5.372 1.00 0.00 C ATOM 329 O SER A 23 40.507 4.748 -4.409 1.00 0.00 O ATOM 330 CB SER A 23 37.819 5.867 -6.601 1.00 0.00 C ATOM 331 OG SER A 23 36.619 6.610 -6.471 1.00 0.00 O ATOM 0 H SER A 23 39.393 7.023 -4.268 1.00 0.00 H new ATOM 0 HA SER A 23 37.692 4.747 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 23 38.560 6.459 -7.138 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.634 4.972 -7.195 1.00 0.00 H new ATOM 0 HG SER A 23 36.175 6.370 -5.631 1.00 0.00 H new ATOM 337 N ASP A 24 40.063 4.334 -6.573 1.00 0.00 N ATOM 338 CA ASP A 24 41.352 3.702 -6.812 1.00 0.00 C ATOM 339 C ASP A 24 42.247 4.621 -7.634 1.00 0.00 C ATOM 340 O ASP A 24 41.937 4.943 -8.781 1.00 0.00 O ATOM 341 CB ASP A 24 41.165 2.370 -7.539 1.00 0.00 C ATOM 342 CG ASP A 24 40.961 2.551 -9.029 1.00 0.00 C ATOM 343 OD1 ASP A 24 41.955 2.813 -9.738 1.00 0.00 O ATOM 344 OD2 ASP A 24 39.804 2.434 -9.488 1.00 0.00 O ATOM 0 H ASP A 24 39.451 4.373 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 24 41.828 3.514 -5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.038 1.740 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.307 1.846 -7.118 1.00 0.00 H new ATOM 349 N GLU A 25 43.354 5.048 -7.039 1.00 0.00 N ATOM 350 CA GLU A 25 44.288 5.938 -7.714 1.00 0.00 C ATOM 351 C GLU A 25 45.392 5.154 -8.412 1.00 0.00 C ATOM 352 O GLU A 25 46.574 5.459 -8.256 1.00 0.00 O ATOM 353 CB GLU A 25 44.898 6.923 -6.716 1.00 0.00 C ATOM 354 CG GLU A 25 44.784 8.373 -7.155 1.00 0.00 C ATOM 355 CD GLU A 25 45.929 9.230 -6.649 1.00 0.00 C ATOM 356 OE1 GLU A 25 46.905 8.663 -6.114 1.00 0.00 O ATOM 357 OE2 GLU A 25 45.850 10.469 -6.790 1.00 0.00 O ATOM 0 H GLU A 25 43.626 4.792 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 25 43.733 6.492 -8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 25 44.406 6.803 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 25 45.950 6.677 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 25 44.756 8.418 -8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 25 43.841 8.784 -6.795 1.00 0.00 H new ATOM 364 N GLY A 26 45.001 4.146 -9.186 1.00 0.00 N ATOM 365 CA GLY A 26 45.979 3.343 -9.899 1.00 0.00 C ATOM 366 C GLY A 26 45.596 1.876 -9.995 1.00 0.00 C ATOM 367 O GLY A 26 46.307 1.087 -10.616 1.00 0.00 O ATOM 0 H GLY A 26 44.030 3.872 -9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 26 46.106 3.745 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.943 3.428 -9.398 1.00 0.00 H new ATOM 371 N GLY A 27 44.479 1.503 -9.373 1.00 0.00 N ATOM 372 CA GLY A 27 44.048 0.119 -9.405 1.00 0.00 C ATOM 373 C GLY A 27 44.770 -0.695 -8.360 1.00 0.00 C ATOM 374 O GLY A 27 44.960 -1.902 -8.505 1.00 0.00 O ATOM 0 H GLY A 27 43.869 2.132 -8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.973 0.065 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 27 44.236 -0.302 -10.393 1.00 0.00 H new ATOM 378 N TRP A 28 45.176 -0.008 -7.302 1.00 0.00 N ATOM 379 CA TRP A 28 45.891 -0.619 -6.200 1.00 0.00 C ATOM 380 C TRP A 28 44.923 -0.967 -5.079 1.00 0.00 C ATOM 381 O TRP A 28 45.171 -1.882 -4.301 1.00 0.00 O ATOM 382 CB TRP A 28 46.949 0.354 -5.692 1.00 0.00 C ATOM 383 CG TRP A 28 46.365 1.702 -5.453 1.00 0.00 C ATOM 384 CD1 TRP A 28 46.433 2.789 -6.271 1.00 0.00 C ATOM 385 CD2 TRP A 28 45.587 2.090 -4.328 1.00 0.00 C ATOM 386 NE1 TRP A 28 45.737 3.834 -5.715 1.00 0.00 N ATOM 387 CE2 TRP A 28 45.210 3.429 -4.520 1.00 0.00 C ATOM 388 CE3 TRP A 28 45.174 1.430 -3.176 1.00 0.00 C ATOM 389 CZ2 TRP A 28 44.433 4.121 -3.596 1.00 0.00 C ATOM 390 CZ3 TRP A 28 44.410 2.114 -2.260 1.00 0.00 C ATOM 391 CH2 TRP A 28 44.044 3.447 -2.471 1.00 0.00 C ATOM 0 H TRP A 28 45.016 0.993 -7.187 1.00 0.00 H new ATOM 0 HA TRP A 28 46.372 -1.536 -6.541 1.00 0.00 H new ATOM 0 HB2 TRP A 28 47.384 -0.027 -4.768 1.00 0.00 H new ATOM 0 HB3 TRP A 28 47.758 0.428 -6.418 1.00 0.00 H new ATOM 0 HD1 TRP A 28 46.956 2.824 -7.215 1.00 0.00 H new ATOM 0 HE1 TRP A 28 45.630 4.761 -6.126 1.00 0.00 H new ATOM 0 HE3 TRP A 28 45.448 0.400 -3.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 44.148 5.150 -3.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 44.086 1.612 -1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 28 43.442 3.954 -1.731 1.00 0.00 H new ATOM 402 N LEU A 29 43.812 -0.225 -5.002 1.00 0.00 N ATOM 403 CA LEU A 29 42.808 -0.469 -3.971 1.00 0.00 C ATOM 404 C LEU A 29 42.685 -1.966 -3.732 1.00 0.00 C ATOM 405 O LEU A 29 43.105 -2.469 -2.691 1.00 0.00 O ATOM 406 CB LEU A 29 41.456 0.125 -4.374 1.00 0.00 C ATOM 407 CG LEU A 29 40.245 -0.493 -3.673 1.00 0.00 C ATOM 408 CD1 LEU A 29 39.395 0.589 -3.025 1.00 0.00 C ATOM 409 CD2 LEU A 29 39.415 -1.305 -4.653 1.00 0.00 C ATOM 0 H LEU A 29 43.590 0.542 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 29 43.122 0.018 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 29 41.470 1.195 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 29 41.332 0.010 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 29 40.606 -1.163 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.538 0.131 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 29 39.992 1.129 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 29 39.045 1.283 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 29 38.559 -1.736 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 29 39.064 -0.657 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 29 40.026 -2.105 -5.072 1.00 0.00 H new ATOM 421 N THR A 30 42.122 -2.674 -4.712 1.00 0.00 N ATOM 422 CA THR A 30 41.969 -4.124 -4.617 1.00 0.00 C ATOM 423 C THR A 30 43.151 -4.716 -3.853 1.00 0.00 C ATOM 424 O THR A 30 43.007 -5.679 -3.101 1.00 0.00 O ATOM 425 CB THR A 30 41.875 -4.746 -6.013 1.00 0.00 C ATOM 426 OG1 THR A 30 42.220 -6.120 -5.973 1.00 0.00 O ATOM 427 CG2 THR A 30 42.775 -4.078 -7.030 1.00 0.00 C ATOM 0 H THR A 30 41.766 -2.268 -5.577 1.00 0.00 H new ATOM 0 HA THR A 30 41.047 -4.348 -4.080 1.00 0.00 H new ATOM 0 HB THR A 30 40.839 -4.606 -6.322 1.00 0.00 H new ATOM 0 HG1 THR A 30 42.153 -6.501 -6.874 1.00 0.00 H new ATOM 0 HG21 THR A 30 42.658 -4.568 -7.997 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.503 -3.026 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 30 43.813 -4.158 -6.706 1.00 0.00 H new ATOM 435 N ARG A 31 44.315 -4.091 -4.028 1.00 0.00 N ATOM 436 CA ARG A 31 45.527 -4.505 -3.334 1.00 0.00 C ATOM 437 C ARG A 31 45.503 -3.947 -1.917 1.00 0.00 C ATOM 438 O ARG A 31 45.594 -4.694 -0.944 1.00 0.00 O ATOM 439 CB ARG A 31 46.775 -4.031 -4.102 1.00 0.00 C ATOM 440 CG ARG A 31 47.583 -2.950 -3.395 1.00 0.00 C ATOM 441 CD ARG A 31 48.916 -2.706 -4.082 1.00 0.00 C ATOM 442 NE ARG A 31 49.931 -2.235 -3.141 1.00 0.00 N ATOM 443 CZ ARG A 31 50.977 -1.492 -3.490 1.00 0.00 C ATOM 444 NH1 ARG A 31 51.163 -1.153 -4.759 1.00 0.00 N ATOM 445 NH2 ARG A 31 51.842 -1.090 -2.568 1.00 0.00 N ATOM 0 H ARG A 31 44.441 -3.292 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 31 45.570 -5.593 -3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 31 47.422 -4.890 -4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 31 46.464 -3.655 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 31 47.010 -2.023 -3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 31 47.755 -3.243 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 31 49.257 -3.628 -4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 31 48.787 -1.971 -4.876 1.00 0.00 H new ATOM 0 HE ARG A 31 49.831 -2.491 -2.159 1.00 0.00 H new ATOM 0 HH11 ARG A 31 50.502 -1.462 -5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 31 51.967 -0.583 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 31 51.705 -1.351 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 31 52.644 -0.520 -2.836 1.00 0.00 H new ATOM 459 N LEU A 32 45.351 -2.629 -1.813 1.00 0.00 N ATOM 460 CA LEU A 32 45.278 -1.970 -0.518 1.00 0.00 C ATOM 461 C LEU A 32 44.542 -2.851 0.482 1.00 0.00 C ATOM 462 O LEU A 32 45.128 -3.412 1.407 1.00 0.00 O ATOM 463 CB LEU A 32 44.535 -0.636 -0.675 1.00 0.00 C ATOM 464 CG LEU A 32 43.625 -0.220 0.493 1.00 0.00 C ATOM 465 CD1 LEU A 32 44.442 0.436 1.577 1.00 0.00 C ATOM 466 CD2 LEU A 32 42.515 0.697 0.005 1.00 0.00 C ATOM 0 H LEU A 32 45.276 -1.999 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 32 46.288 -1.791 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.274 0.151 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.929 -0.687 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 32 43.157 -1.111 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 32 43.789 0.727 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.193 -0.265 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.936 1.321 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 32 41.882 0.981 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.951 1.592 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.915 0.177 -0.742 1.00 0.00 H new ATOM 478 N LEU A 33 43.242 -2.952 0.268 1.00 0.00 N ATOM 479 CA LEU A 33 42.371 -3.742 1.122 1.00 0.00 C ATOM 480 C LEU A 33 42.979 -5.122 1.327 1.00 0.00 C ATOM 481 O LEU A 33 43.424 -5.469 2.421 1.00 0.00 O ATOM 482 CB LEU A 33 40.957 -3.846 0.515 1.00 0.00 C ATOM 483 CG LEU A 33 40.562 -2.745 -0.484 1.00 0.00 C ATOM 484 CD1 LEU A 33 39.314 -3.134 -1.257 1.00 0.00 C ATOM 485 CD2 LEU A 33 40.353 -1.424 0.241 1.00 0.00 C ATOM 0 H LEU A 33 42.760 -2.489 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 33 42.277 -3.250 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.870 -4.810 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 33 40.234 -3.844 1.330 1.00 0.00 H new ATOM 0 HG LEU A 33 41.376 -2.625 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 33 39.056 -2.338 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 33 39.500 -4.056 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 33 38.489 -3.287 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 33 40.074 -0.654 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.559 -1.536 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 33 41.276 -1.134 0.743 1.00 0.00 H new ATOM 497 N GLN A 34 43.004 -5.889 0.255 1.00 0.00 N ATOM 498 CA GLN A 34 43.570 -7.229 0.272 1.00 0.00 C ATOM 499 C GLN A 34 44.863 -7.277 1.093 1.00 0.00 C ATOM 500 O GLN A 34 44.978 -8.046 2.047 1.00 0.00 O ATOM 501 CB GLN A 34 43.858 -7.658 -1.159 1.00 0.00 C ATOM 502 CG GLN A 34 42.626 -8.119 -1.921 1.00 0.00 C ATOM 503 CD GLN A 34 42.059 -9.416 -1.380 1.00 0.00 C ATOM 504 OE1 GLN A 34 42.650 -10.482 -1.546 1.00 0.00 O ATOM 505 NE2 GLN A 34 40.904 -9.331 -0.729 1.00 0.00 N ATOM 0 H GLN A 34 42.634 -5.604 -0.652 1.00 0.00 H new ATOM 0 HA GLN A 34 42.853 -7.906 0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 34 44.314 -6.824 -1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 34 44.589 -8.466 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 34 41.861 -7.344 -1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.881 -8.249 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 34 40.448 -8.426 -0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 34 40.473 -10.171 -0.343 1.00 0.00 H new ATOM 514 N THR A 35 45.831 -6.453 0.699 1.00 0.00 N ATOM 515 CA THR A 35 47.129 -6.388 1.375 1.00 0.00 C ATOM 516 C THR A 35 47.040 -5.654 2.709 1.00 0.00 C ATOM 517 O THR A 35 48.034 -5.516 3.421 1.00 0.00 O ATOM 518 CB THR A 35 48.161 -5.705 0.476 1.00 0.00 C ATOM 519 OG1 THR A 35 47.752 -4.388 0.154 1.00 0.00 O ATOM 520 CG2 THR A 35 48.400 -6.443 -0.823 1.00 0.00 C ATOM 0 H THR A 35 45.741 -5.815 -0.092 1.00 0.00 H new ATOM 0 HA THR A 35 47.442 -7.412 1.577 1.00 0.00 H new ATOM 0 HB THR A 35 49.088 -5.700 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 35 46.774 -4.334 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 35 49.142 -5.907 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 35 48.764 -7.448 -0.609 1.00 0.00 H new ATOM 0 HG23 THR A 35 47.467 -6.506 -1.382 1.00 0.00 H new ATOM 528 N LYS A 36 45.845 -5.206 3.047 1.00 0.00 N ATOM 529 CA LYS A 36 45.628 -4.510 4.304 1.00 0.00 C ATOM 530 C LYS A 36 44.470 -5.142 5.058 1.00 0.00 C ATOM 531 O LYS A 36 43.775 -4.477 5.824 1.00 0.00 O ATOM 532 CB LYS A 36 45.371 -3.018 4.071 1.00 0.00 C ATOM 533 CG LYS A 36 46.482 -2.323 3.298 1.00 0.00 C ATOM 534 CD LYS A 36 47.160 -1.253 4.137 1.00 0.00 C ATOM 535 CE LYS A 36 48.321 -1.821 4.936 1.00 0.00 C ATOM 536 NZ LYS A 36 49.506 -0.919 4.914 1.00 0.00 N ATOM 0 H LYS A 36 45.010 -5.311 2.470 1.00 0.00 H new ATOM 0 HA LYS A 36 46.531 -4.602 4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 36 44.433 -2.900 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 36 45.246 -2.524 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 36 47.220 -3.059 2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 36 46.071 -1.872 2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 36 47.520 -0.455 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 36 46.433 -0.808 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 36 48.007 -1.982 5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 36 48.598 -2.794 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 50.275 -1.343 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 49.822 -0.785 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 49.249 0.002 5.324 1.00 0.00 H new ATOM 550 N ASN A 37 44.254 -6.433 4.812 1.00 0.00 N ATOM 551 CA ASN A 37 43.163 -7.154 5.450 1.00 0.00 C ATOM 552 C ASN A 37 41.880 -6.354 5.308 1.00 0.00 C ATOM 553 O ASN A 37 41.030 -6.352 6.197 1.00 0.00 O ATOM 554 CB ASN A 37 43.471 -7.408 6.930 1.00 0.00 C ATOM 555 CG ASN A 37 43.160 -6.209 7.806 1.00 0.00 C ATOM 556 OD1 ASN A 37 42.035 -6.046 8.280 1.00 0.00 O ATOM 557 ND2 ASN A 37 44.159 -5.364 8.029 1.00 0.00 N ATOM 0 H ASN A 37 44.820 -6.996 4.177 1.00 0.00 H new ATOM 0 HA ASN A 37 43.043 -8.121 4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 37 42.893 -8.265 7.275 1.00 0.00 H new ATOM 0 HB3 ASN A 37 44.524 -7.669 7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 37 44.010 -4.541 8.613 1.00 0.00 H new ATOM 0 HD22 ASN A 37 45.076 -5.538 7.616 1.00 0.00 H new ATOM 564 N TYR A 38 41.761 -5.660 4.182 1.00 0.00 N ATOM 565 CA TYR A 38 40.596 -4.834 3.914 1.00 0.00 C ATOM 566 C TYR A 38 40.599 -3.611 4.821 1.00 0.00 C ATOM 567 O TYR A 38 39.671 -3.409 5.604 1.00 0.00 O ATOM 568 CB TYR A 38 39.307 -5.634 4.123 1.00 0.00 C ATOM 569 CG TYR A 38 39.245 -6.911 3.315 1.00 0.00 C ATOM 570 CD1 TYR A 38 39.770 -8.096 3.812 1.00 0.00 C ATOM 571 CD2 TYR A 38 38.662 -6.929 2.054 1.00 0.00 C ATOM 572 CE1 TYR A 38 39.716 -9.265 3.076 1.00 0.00 C ATOM 573 CE2 TYR A 38 38.604 -8.093 1.311 1.00 0.00 C ATOM 574 CZ TYR A 38 39.132 -9.257 1.826 1.00 0.00 C ATOM 575 OH TYR A 38 39.078 -10.419 1.089 1.00 0.00 O ATOM 0 H TYR A 38 42.461 -5.655 3.440 1.00 0.00 H new ATOM 0 HA TYR A 38 40.639 -4.508 2.875 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.210 -5.879 5.181 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.455 -5.007 3.861 1.00 0.00 H new ATOM 0 HD1 TYR A 38 40.228 -8.105 4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 38 38.247 -6.018 1.648 1.00 0.00 H new ATOM 0 HE1 TYR A 38 40.128 -10.179 3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 38 38.147 -8.090 0.332 1.00 0.00 H new ATOM 0 HH TYR A 38 38.439 -10.311 0.354 1.00 0.00 H new ATOM 585 N ASP A 39 41.655 -2.802 4.733 1.00 0.00 N ATOM 586 CA ASP A 39 41.758 -1.622 5.576 1.00 0.00 C ATOM 587 C ASP A 39 41.876 -0.357 4.746 1.00 0.00 C ATOM 588 O ASP A 39 42.771 -0.221 3.913 1.00 0.00 O ATOM 589 CB ASP A 39 42.952 -1.756 6.527 1.00 0.00 C ATOM 590 CG ASP A 39 43.475 -0.417 7.016 1.00 0.00 C ATOM 591 OD1 ASP A 39 42.963 0.084 8.039 1.00 0.00 O ATOM 592 OD2 ASP A 39 44.396 0.130 6.374 1.00 0.00 O ATOM 0 H ASP A 39 42.438 -2.943 4.095 1.00 0.00 H new ATOM 0 HA ASP A 39 40.844 -1.546 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.660 -2.361 7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.755 -2.290 6.020 1.00 0.00 H new ATOM 597 N ILE A 40 40.974 0.574 5.006 1.00 0.00 N ATOM 598 CA ILE A 40 40.968 1.845 4.321 1.00 0.00 C ATOM 599 C ILE A 40 41.891 2.795 5.048 1.00 0.00 C ATOM 600 O ILE A 40 42.415 3.748 4.469 1.00 0.00 O ATOM 601 CB ILE A 40 39.557 2.451 4.261 1.00 0.00 C ATOM 602 CG1 ILE A 40 39.072 2.812 5.670 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.605 1.481 3.581 1.00 0.00 C ATOM 604 CD1 ILE A 40 38.225 1.741 6.328 1.00 0.00 C ATOM 0 H ILE A 40 40.230 0.466 5.696 1.00 0.00 H new ATOM 0 HA ILE A 40 41.307 1.686 3.297 1.00 0.00 H new ATOM 0 HB ILE A 40 39.585 3.369 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 40 39.938 3.013 6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.495 3.735 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 40 37.607 1.918 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 40 38.953 1.280 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.572 0.549 4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 40 37.923 2.075 7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 40 37.338 1.555 5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 40 38.804 0.822 6.415 1.00 0.00 H new ATOM 616 N GLY A 41 42.095 2.513 6.330 1.00 0.00 N ATOM 617 CA GLY A 41 42.965 3.336 7.126 1.00 0.00 C ATOM 618 C GLY A 41 44.179 3.750 6.338 1.00 0.00 C ATOM 619 O GLY A 41 44.553 4.923 6.305 1.00 0.00 O ATOM 0 H GLY A 41 41.671 1.729 6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 41 42.426 4.221 7.464 1.00 0.00 H new ATOM 0 HA3 GLY A 41 43.274 2.790 8.018 1.00 0.00 H new ATOM 623 N ALA A 42 44.774 2.771 5.680 1.00 0.00 N ATOM 624 CA ALA A 42 45.941 3.006 4.849 1.00 0.00 C ATOM 625 C ALA A 42 45.506 3.480 3.478 1.00 0.00 C ATOM 626 O ALA A 42 46.224 4.223 2.809 1.00 0.00 O ATOM 627 CB ALA A 42 46.798 1.752 4.749 1.00 0.00 C ATOM 0 H ALA A 42 44.465 1.799 5.706 1.00 0.00 H new ATOM 0 HA ALA A 42 46.551 3.783 5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.666 1.954 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.131 1.458 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.212 0.945 4.309 1.00 0.00 H new ATOM 633 N ALA A 43 44.303 3.085 3.082 1.00 0.00 N ATOM 634 CA ALA A 43 43.761 3.522 1.803 1.00 0.00 C ATOM 635 C ALA A 43 43.950 5.026 1.670 1.00 0.00 C ATOM 636 O ALA A 43 44.696 5.502 0.814 1.00 0.00 O ATOM 637 CB ALA A 43 42.287 3.171 1.696 1.00 0.00 C ATOM 0 H ALA A 43 43.691 2.471 3.620 1.00 0.00 H new ATOM 0 HA ALA A 43 44.290 3.011 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 43 41.902 3.506 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.163 2.091 1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.737 3.663 2.498 1.00 0.00 H new ATOM 643 N LEU A 44 43.275 5.764 2.545 1.00 0.00 N ATOM 644 CA LEU A 44 43.369 7.216 2.556 1.00 0.00 C ATOM 645 C LEU A 44 44.794 7.648 2.228 1.00 0.00 C ATOM 646 O LEU A 44 45.038 8.356 1.250 1.00 0.00 O ATOM 647 CB LEU A 44 42.967 7.765 3.929 1.00 0.00 C ATOM 648 CG LEU A 44 41.465 7.757 4.223 1.00 0.00 C ATOM 649 CD1 LEU A 44 40.953 6.331 4.373 1.00 0.00 C ATOM 650 CD2 LEU A 44 41.167 8.562 5.481 1.00 0.00 C ATOM 0 H LEU A 44 42.656 5.377 3.257 1.00 0.00 H new ATOM 0 HA LEU A 44 42.689 7.615 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 44 43.474 7.182 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 44 43.331 8.789 4.013 1.00 0.00 H new ATOM 0 HG LEU A 44 40.949 8.220 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.883 6.349 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.134 5.781 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 44 41.475 5.842 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 44 40.095 8.547 5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 44 41.697 8.124 6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.496 9.592 5.340 1.00 0.00 H new ATOM 662 N ASP A 45 45.728 7.225 3.073 1.00 0.00 N ATOM 663 CA ASP A 45 47.134 7.568 2.908 1.00 0.00 C ATOM 664 C ASP A 45 47.583 7.490 1.448 1.00 0.00 C ATOM 665 O ASP A 45 48.399 8.296 1.007 1.00 0.00 O ATOM 666 CB ASP A 45 48.005 6.647 3.765 1.00 0.00 C ATOM 667 CG ASP A 45 49.485 6.916 3.576 1.00 0.00 C ATOM 668 OD1 ASP A 45 49.975 7.939 4.100 1.00 0.00 O ATOM 669 OD2 ASP A 45 50.156 6.105 2.903 1.00 0.00 O ATOM 0 H ASP A 45 45.533 6.639 3.885 1.00 0.00 H new ATOM 0 HA ASP A 45 47.253 8.601 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 45 47.745 6.779 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 45 47.791 5.609 3.511 1.00 0.00 H new ATOM 674 N THR A 46 47.081 6.507 0.707 1.00 0.00 N ATOM 675 CA THR A 46 47.483 6.339 -0.690 1.00 0.00 C ATOM 676 C THR A 46 46.501 6.973 -1.685 1.00 0.00 C ATOM 677 O THR A 46 46.918 7.464 -2.735 1.00 0.00 O ATOM 678 CB THR A 46 47.672 4.855 -1.011 1.00 0.00 C ATOM 679 OG1 THR A 46 46.426 4.227 -1.229 1.00 0.00 O ATOM 680 CG2 THR A 46 48.389 4.091 0.081 1.00 0.00 C ATOM 0 H THR A 46 46.404 5.822 1.042 1.00 0.00 H new ATOM 0 HA THR A 46 48.429 6.868 -0.806 1.00 0.00 H new ATOM 0 HB THR A 46 48.288 4.831 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 46 46.127 4.403 -2.145 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.489 3.046 -0.212 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.379 4.521 0.236 1.00 0.00 H new ATOM 0 HG23 THR A 46 47.816 4.155 1.006 1.00 0.00 H new ATOM 688 N ILE A 47 45.206 6.952 -1.376 1.00 0.00 N ATOM 689 CA ILE A 47 44.203 7.525 -2.289 1.00 0.00 C ATOM 690 C ILE A 47 44.333 9.042 -2.403 1.00 0.00 C ATOM 691 O ILE A 47 44.103 9.610 -3.470 1.00 0.00 O ATOM 692 CB ILE A 47 42.743 7.195 -1.893 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.652 6.662 -0.463 1.00 0.00 C ATOM 694 CG2 ILE A 47 42.139 6.197 -2.872 1.00 0.00 C ATOM 695 CD1 ILE A 47 41.273 6.814 0.144 1.00 0.00 C ATOM 0 H ILE A 47 44.825 6.553 -0.518 1.00 0.00 H new ATOM 0 HA ILE A 47 44.415 7.056 -3.250 1.00 0.00 H new ATOM 0 HB ILE A 47 42.172 8.122 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.931 5.608 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 47 43.376 7.187 0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 47 41.113 5.976 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 47 42.147 6.622 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 47 42.725 5.278 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 47 41.276 6.416 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 47 41.000 7.869 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.548 6.266 -0.458 1.00 0.00 H new ATOM 707 N GLN A 48 44.692 9.696 -1.306 1.00 0.00 N ATOM 708 CA GLN A 48 44.834 11.149 -1.308 1.00 0.00 C ATOM 709 C GLN A 48 45.378 11.654 0.024 1.00 0.00 C ATOM 710 O GLN A 48 44.989 12.720 0.501 1.00 0.00 O ATOM 711 CB GLN A 48 43.485 11.808 -1.605 1.00 0.00 C ATOM 712 CG GLN A 48 43.296 12.175 -3.069 1.00 0.00 C ATOM 713 CD GLN A 48 41.970 11.692 -3.624 1.00 0.00 C ATOM 714 OE1 GLN A 48 41.279 12.422 -4.335 1.00 0.00 O ATOM 715 NE2 GLN A 48 41.608 10.456 -3.301 1.00 0.00 N ATOM 0 H GLN A 48 44.889 9.250 -0.410 1.00 0.00 H new ATOM 0 HA GLN A 48 45.547 11.417 -2.088 1.00 0.00 H new ATOM 0 HB2 GLN A 48 42.685 11.132 -1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 48 43.388 12.708 -0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 48 43.359 13.258 -3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 48 44.109 11.746 -3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 48 42.212 9.886 -2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.726 10.077 -3.645 1.00 0.00 H new ATOM 724 N TYR A 49 46.282 10.883 0.614 1.00 0.00 N ATOM 725 CA TYR A 49 46.886 11.254 1.888 1.00 0.00 C ATOM 726 C TYR A 49 48.321 10.752 1.972 1.00 0.00 C ATOM 727 O TYR A 49 48.830 10.473 3.058 1.00 0.00 O ATOM 728 CB TYR A 49 46.063 10.694 3.050 1.00 0.00 C ATOM 729 CG TYR A 49 45.004 11.646 3.553 1.00 0.00 C ATOM 730 CD1 TYR A 49 45.356 12.819 4.208 1.00 0.00 C ATOM 731 CD2 TYR A 49 43.654 11.375 3.371 1.00 0.00 C ATOM 732 CE1 TYR A 49 44.391 13.695 4.668 1.00 0.00 C ATOM 733 CE2 TYR A 49 42.683 12.247 3.829 1.00 0.00 C ATOM 734 CZ TYR A 49 43.058 13.404 4.477 1.00 0.00 C ATOM 735 OH TYR A 49 42.093 14.273 4.934 1.00 0.00 O ATOM 0 H TYR A 49 46.613 9.997 0.232 1.00 0.00 H new ATOM 0 HA TYR A 49 46.897 12.342 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 49 45.586 9.767 2.733 1.00 0.00 H new ATOM 0 HB3 TYR A 49 46.734 10.442 3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 49 46.400 13.050 4.360 1.00 0.00 H new ATOM 0 HD2 TYR A 49 43.358 10.469 2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 49 44.681 14.604 5.175 1.00 0.00 H new ATOM 0 HE2 TYR A 49 41.637 12.023 3.680 1.00 0.00 H new ATOM 0 HH TYR A 49 41.205 13.919 4.717 1.00 0.00 H new ATOM 745 N SER A 50 48.969 10.639 0.817 1.00 0.00 N ATOM 746 CA SER A 50 50.348 10.171 0.757 1.00 0.00 C ATOM 747 C SER A 50 51.320 11.345 0.808 1.00 0.00 C ATOM 748 O SER A 50 52.425 11.274 0.271 1.00 0.00 O ATOM 749 CB SER A 50 50.578 9.361 -0.520 1.00 0.00 C ATOM 750 OG SER A 50 49.546 9.592 -1.462 1.00 0.00 O ATOM 0 H SER A 50 48.561 10.865 -0.090 1.00 0.00 H new ATOM 0 HA SER A 50 50.528 9.532 1.622 1.00 0.00 H new ATOM 0 HB2 SER A 50 51.540 9.629 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 50 50.623 8.299 -0.278 1.00 0.00 H new ATOM 0 HG SER A 50 49.717 9.064 -2.270 1.00 0.00 H new ATOM 756 N LYS A 51 50.895 12.424 1.454 1.00 0.00 N ATOM 757 CA LYS A 51 51.724 13.616 1.575 1.00 0.00 C ATOM 758 C LYS A 51 51.508 14.289 2.926 1.00 0.00 C ATOM 759 O LYS A 51 51.489 15.515 3.024 1.00 0.00 O ATOM 760 CB LYS A 51 51.407 14.598 0.445 1.00 0.00 C ATOM 761 CG LYS A 51 52.426 14.579 -0.682 1.00 0.00 C ATOM 762 CD LYS A 51 53.723 15.256 -0.272 1.00 0.00 C ATOM 763 CE LYS A 51 54.814 14.238 0.021 1.00 0.00 C ATOM 764 NZ LYS A 51 55.064 13.342 -1.142 1.00 0.00 N ATOM 0 H LYS A 51 49.982 12.498 1.902 1.00 0.00 H new ATOM 0 HA LYS A 51 52.769 13.314 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 51 50.423 14.365 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 51 51.351 15.606 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 51 52.629 13.548 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 51 52.013 15.082 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 51 54.052 15.925 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 51 53.550 15.871 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 51 55.735 14.758 0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 51 54.529 13.639 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 56.063 13.052 -1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 54.460 12.499 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 54.844 13.848 -2.024 1.00 0.00 H new ATOM 778 N HIS A 52 51.345 13.477 3.966 1.00 0.00 N ATOM 779 CA HIS A 52 51.131 13.992 5.314 1.00 0.00 C ATOM 780 C HIS A 52 52.293 14.879 5.749 1.00 0.00 C ATOM 781 O HIS A 52 53.293 14.951 5.003 1.00 0.00 O ATOM 782 CB HIS A 52 50.955 12.838 6.303 1.00 0.00 C ATOM 783 CG HIS A 52 50.675 13.284 7.705 1.00 0.00 C ATOM 784 ND1 HIS A 52 49.416 13.325 8.262 1.00 0.00 N ATOM 785 CD2 HIS A 52 51.527 13.708 8.674 1.00 0.00 C ATOM 786 CE1 HIS A 52 49.537 13.762 9.523 1.00 0.00 C ATOM 787 NE2 HIS A 52 50.798 14.009 9.822 1.00 0.00 N ATOM 788 OXT HIS A 52 52.192 15.497 6.829 1.00 0.00 O ATOM 0 H HIS A 52 51.357 12.459 3.901 1.00 0.00 H new ATOM 0 HA HIS A 52 50.222 14.594 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 52 50.138 12.202 5.964 1.00 0.00 H new ATOM 0 HB3 HIS A 52 51.858 12.227 6.299 1.00 0.00 H new ATOM 0 HD2 HIS A 52 52.598 13.797 8.571 1.00 0.00 H new ATOM 0 HE1 HIS A 52 48.710 13.895 10.205 1.00 0.00 H new ATOM 0 HE2 HIS A 52 51.164 14.350 10.711 1.00 0.00 H new TER 796 HIS A 52