USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 278 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 GLU N :NH3+ -175:sc= 0.422 (180deg=-0.037) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 135:sc= -0.389 (180deg=-1.67) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.719 K(o=0.72,f=-0.015) USER MOD Single : A 10 SER OG : rot 180:sc= 0.199 USER MOD Single : A 11 GLN : amide:sc= 1.14 K(o=1.1,f=-0.39) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0146 F(o=-1.1,f=-0.015) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.76 K(o=0.76,f=-0.91) USER MOD Single : A 24 SER OG : rot -38:sc= 0.00795 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.882) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.56) USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= 0.651 (180deg=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -8.729 0.339 5.508 1.00 0.00 N ATOM 2 CA GLU A 1 -8.954 -1.101 5.693 1.00 0.00 C ATOM 3 C GLU A 1 -7.863 -1.506 6.625 1.00 0.00 C ATOM 4 O GLU A 1 -6.807 -1.960 6.200 1.00 0.00 O ATOM 5 CB GLU A 1 -8.879 -1.848 4.326 1.00 0.00 C ATOM 6 CG GLU A 1 -9.979 -1.463 3.310 1.00 0.00 C ATOM 7 CD GLU A 1 -9.734 -0.074 2.744 1.00 0.00 C ATOM 8 OE1 GLU A 1 -10.086 0.900 3.466 1.00 0.00 O ATOM 9 OE2 GLU A 1 -9.098 0.029 1.673 1.00 0.00 O ATOM 0 H1 GLU A 1 -9.497 0.739 4.933 1.00 0.00 H new ATOM 0 H2 GLU A 1 -8.710 0.809 6.435 1.00 0.00 H new ATOM 0 H3 GLU A 1 -7.820 0.489 5.025 1.00 0.00 H new ATOM 0 HA GLU A 1 -9.939 -1.343 6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -7.906 -1.654 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -8.936 -2.921 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -10.002 -2.191 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -10.955 -1.495 3.795 1.00 0.00 H new ATOM 18 N ALA A 2 -8.068 -1.252 7.935 1.00 0.00 N ATOM 19 CA ALA A 2 -7.087 -1.379 8.973 1.00 0.00 C ATOM 20 C ALA A 2 -7.888 -0.828 10.112 1.00 0.00 C ATOM 21 O ALA A 2 -9.018 -0.394 9.876 1.00 0.00 O ATOM 22 CB ALA A 2 -5.791 -0.544 8.779 1.00 0.00 C ATOM 0 H ALA A 2 -8.972 -0.940 8.288 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.695 -2.392 9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.119 -0.714 9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.299 -0.846 7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.045 0.515 8.726 1.00 0.00 H new ATOM 28 N TYR A 3 -7.319 -0.837 11.339 1.00 0.00 N ATOM 29 CA TYR A 3 -7.985 -0.512 12.583 1.00 0.00 C ATOM 30 C TYR A 3 -7.118 0.518 13.256 1.00 0.00 C ATOM 31 O TYR A 3 -6.297 0.174 14.104 1.00 0.00 O ATOM 32 CB TYR A 3 -8.219 -1.790 13.481 1.00 0.00 C ATOM 33 CG TYR A 3 -7.032 -2.744 13.527 1.00 0.00 C ATOM 34 CD1 TYR A 3 -6.774 -3.637 12.467 1.00 0.00 C ATOM 35 CD2 TYR A 3 -6.124 -2.713 14.604 1.00 0.00 C ATOM 36 CE1 TYR A 3 -5.601 -4.402 12.441 1.00 0.00 C ATOM 37 CE2 TYR A 3 -4.956 -3.486 14.594 1.00 0.00 C ATOM 38 CZ TYR A 3 -4.688 -4.329 13.505 1.00 0.00 C ATOM 39 OH TYR A 3 -3.502 -5.093 13.447 1.00 0.00 O ATOM 0 H TYR A 3 -6.339 -1.084 11.475 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.986 -0.118 12.406 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.453 -1.470 14.496 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.090 -2.329 13.108 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.490 -3.732 11.664 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.333 -2.081 15.454 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.398 -5.049 11.601 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.264 -3.433 15.422 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.971 -4.935 14.256 1.00 0.00 H new ATOM 49 N LYS A 4 -7.270 1.809 12.830 1.00 0.00 N ATOM 50 CA LYS A 4 -6.529 3.007 13.220 1.00 0.00 C ATOM 51 C LYS A 4 -5.634 3.372 12.061 1.00 0.00 C ATOM 52 O LYS A 4 -5.575 4.520 11.634 1.00 0.00 O ATOM 53 CB LYS A 4 -5.710 2.876 14.531 1.00 0.00 C ATOM 54 CG LYS A 4 -4.967 4.063 15.119 1.00 0.00 C ATOM 55 CD LYS A 4 -4.009 3.661 16.267 1.00 0.00 C ATOM 56 CE LYS A 4 -4.601 2.780 17.393 1.00 0.00 C ATOM 57 NZ LYS A 4 -4.748 1.339 17.000 1.00 0.00 N ATOM 0 H LYS A 4 -7.987 2.037 12.141 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.254 3.789 13.444 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.395 2.518 15.299 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.974 2.089 14.368 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.397 4.555 14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.689 4.790 15.492 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.161 3.132 15.832 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.619 4.573 16.719 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.961 2.847 18.272 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.577 3.173 17.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.402 0.732 17.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.750 1.129 16.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.194 1.156 16.139 1.00 0.00 H new ATOM 71 N LYS A 5 -4.920 2.323 11.563 1.00 0.00 N ATOM 72 CA LYS A 5 -3.876 2.235 10.556 1.00 0.00 C ATOM 73 C LYS A 5 -2.580 2.094 11.313 1.00 0.00 C ATOM 74 O LYS A 5 -2.577 1.641 12.461 1.00 0.00 O ATOM 75 CB LYS A 5 -3.824 3.337 9.449 1.00 0.00 C ATOM 76 CG LYS A 5 -4.971 3.242 8.439 1.00 0.00 C ATOM 77 CD LYS A 5 -5.068 4.536 7.619 1.00 0.00 C ATOM 78 CE LYS A 5 -5.495 4.333 6.162 1.00 0.00 C ATOM 79 NZ LYS A 5 -5.571 5.635 5.439 1.00 0.00 N ATOM 0 H LYS A 5 -5.111 1.391 11.930 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.100 1.371 9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.848 4.318 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.875 3.263 8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.810 2.393 7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.911 3.063 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.779 5.206 8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.099 5.035 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.785 3.675 5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.466 3.838 6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.862 5.469 4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.266 6.252 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.638 6.094 5.451 1.00 0.00 H new ATOM 93 N ALA A 6 -1.446 2.466 10.663 1.00 0.00 N ATOM 94 CA ALA A 6 -0.126 2.625 11.226 1.00 0.00 C ATOM 95 C ALA A 6 0.062 4.062 11.671 1.00 0.00 C ATOM 96 O ALA A 6 -0.807 4.913 11.473 1.00 0.00 O ATOM 97 CB ALA A 6 0.964 2.248 10.185 1.00 0.00 C ATOM 0 H ALA A 6 -1.457 2.671 9.664 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.027 1.959 12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.951 2.375 10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.833 1.209 9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.873 2.895 9.313 1.00 0.00 H new ATOM 103 N LYS A 7 1.273 4.355 12.206 1.00 0.00 N ATOM 104 CA LYS A 7 1.843 5.653 12.446 1.00 0.00 C ATOM 105 C LYS A 7 2.801 5.854 11.282 1.00 0.00 C ATOM 106 O LYS A 7 3.895 5.288 11.264 1.00 0.00 O ATOM 107 CB LYS A 7 2.588 5.660 13.809 1.00 0.00 C ATOM 108 CG LYS A 7 1.728 5.268 15.021 1.00 0.00 C ATOM 109 CD LYS A 7 2.628 4.976 16.232 1.00 0.00 C ATOM 110 CE LYS A 7 1.896 4.823 17.576 1.00 0.00 C ATOM 111 NZ LYS A 7 2.878 4.588 18.669 1.00 0.00 N ATOM 0 H LYS A 7 1.908 3.611 12.496 1.00 0.00 H new ATOM 0 HA LYS A 7 1.101 6.450 12.503 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.435 4.976 13.747 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.995 6.657 13.978 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.033 6.073 15.260 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.128 4.389 14.783 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.187 4.061 16.036 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.357 5.781 16.324 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.314 5.720 17.786 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.193 3.992 17.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.374 4.486 19.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.415 3.719 18.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.532 5.394 18.727 1.00 0.00 H new ATOM 125 N GLN A 8 2.327 6.569 10.228 1.00 0.00 N ATOM 126 CA GLN A 8 3.033 6.881 9.002 1.00 0.00 C ATOM 127 C GLN A 8 2.636 8.323 8.719 1.00 0.00 C ATOM 128 O GLN A 8 2.921 9.203 9.530 1.00 0.00 O ATOM 129 CB GLN A 8 2.659 5.922 7.827 1.00 0.00 C ATOM 130 CG GLN A 8 3.103 4.446 7.977 1.00 0.00 C ATOM 131 CD GLN A 8 4.612 4.272 7.830 1.00 0.00 C ATOM 132 OE1 GLN A 8 5.151 4.140 6.733 1.00 0.00 O ATOM 133 NE2 GLN A 8 5.335 4.280 8.969 1.00 0.00 N ATOM 0 H GLN A 8 1.383 6.956 10.233 1.00 0.00 H new ATOM 0 HA GLN A 8 4.111 6.752 9.102 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.577 5.942 7.700 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.095 6.319 6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.791 4.073 8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.596 3.839 7.227 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.868 4.391 9.869 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.349 4.175 8.930 1.00 0.00 H new ATOM 142 N ALA A 9 1.898 8.618 7.599 1.00 0.00 N ATOM 143 CA ALA A 9 1.415 9.950 7.222 1.00 0.00 C ATOM 144 C ALA A 9 0.156 10.289 8.004 1.00 0.00 C ATOM 145 O ALA A 9 -0.945 9.880 7.646 1.00 0.00 O ATOM 146 CB ALA A 9 1.162 10.075 5.697 1.00 0.00 C ATOM 0 H ALA A 9 1.626 7.900 6.928 1.00 0.00 H new ATOM 0 HA ALA A 9 2.198 10.666 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.806 11.079 5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.091 9.888 5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.412 9.346 5.392 1.00 0.00 H new ATOM 152 N SER A 10 0.366 10.941 9.163 1.00 0.00 N ATOM 153 CA SER A 10 -0.447 10.863 10.348 1.00 0.00 C ATOM 154 C SER A 10 0.517 11.483 11.316 1.00 0.00 C ATOM 155 O SER A 10 1.229 12.410 10.930 1.00 0.00 O ATOM 156 CB SER A 10 -0.902 9.401 10.737 1.00 0.00 C ATOM 157 OG SER A 10 -1.530 9.313 12.022 1.00 0.00 O ATOM 0 H SER A 10 1.161 11.569 9.284 1.00 0.00 H new ATOM 0 HA SER A 10 -1.421 11.348 10.276 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.593 9.032 9.979 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.032 8.744 10.722 1.00 0.00 H new ATOM 0 HG SER A 10 -1.787 8.384 12.198 1.00 0.00 H new ATOM 163 N GLN A 11 0.554 10.938 12.563 1.00 0.00 N ATOM 164 CA GLN A 11 1.103 11.474 13.789 1.00 0.00 C ATOM 165 C GLN A 11 2.590 11.450 13.795 1.00 0.00 C ATOM 166 O GLN A 11 3.228 12.343 14.324 1.00 0.00 O ATOM 167 CB GLN A 11 0.554 10.788 15.073 1.00 0.00 C ATOM 168 CG GLN A 11 0.983 9.316 15.346 1.00 0.00 C ATOM 169 CD GLN A 11 1.473 9.188 16.785 1.00 0.00 C ATOM 170 OE1 GLN A 11 0.766 9.630 17.684 1.00 0.00 O ATOM 171 NE2 GLN A 11 2.670 8.614 17.047 1.00 0.00 N ATOM 0 H GLN A 11 0.151 10.015 12.724 1.00 0.00 H new ATOM 0 HA GLN A 11 0.768 12.511 13.812 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.856 11.390 15.930 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.535 10.818 15.030 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.142 8.643 15.176 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.772 9.022 14.654 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.241 8.253 16.283 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.001 8.542 18.009 1.00 0.00 H new ATOM 180 N ASP A 12 3.199 10.458 13.119 1.00 0.00 N ATOM 181 CA ASP A 12 4.637 10.295 13.033 1.00 0.00 C ATOM 182 C ASP A 12 5.193 11.114 11.901 1.00 0.00 C ATOM 183 O ASP A 12 6.372 11.451 11.903 1.00 0.00 O ATOM 184 CB ASP A 12 5.027 8.815 12.820 1.00 0.00 C ATOM 185 CG ASP A 12 5.128 8.043 14.116 1.00 0.00 C ATOM 186 OD1 ASP A 12 4.446 8.405 15.116 1.00 0.00 O ATOM 187 OD2 ASP A 12 5.891 7.047 14.120 1.00 0.00 O ATOM 0 H ASP A 12 2.682 9.740 12.612 1.00 0.00 H new ATOM 0 HA ASP A 12 5.058 10.637 13.979 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.288 8.339 12.175 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.983 8.767 12.299 1.00 0.00 H new ATOM 192 N ALA A 13 4.327 11.546 10.948 1.00 0.00 N ATOM 193 CA ALA A 13 4.666 12.544 9.937 1.00 0.00 C ATOM 194 C ALA A 13 4.473 13.944 10.480 1.00 0.00 C ATOM 195 O ALA A 13 5.201 14.859 10.103 1.00 0.00 O ATOM 196 CB ALA A 13 3.814 12.427 8.655 1.00 0.00 C ATOM 0 H ALA A 13 3.370 11.200 10.871 1.00 0.00 H new ATOM 0 HA ALA A 13 5.709 12.354 9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.117 13.197 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.962 11.444 8.208 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.761 12.557 8.905 1.00 0.00 H new ATOM 202 N GLU A 14 3.495 14.110 11.409 1.00 0.00 N ATOM 203 CA GLU A 14 3.038 15.379 11.923 1.00 0.00 C ATOM 204 C GLU A 14 3.818 15.805 13.139 1.00 0.00 C ATOM 205 O GLU A 14 4.208 16.965 13.286 1.00 0.00 O ATOM 206 CB GLU A 14 1.564 15.247 12.313 1.00 0.00 C ATOM 207 CG GLU A 14 0.882 16.530 12.803 1.00 0.00 C ATOM 208 CD GLU A 14 -0.377 16.127 13.535 1.00 0.00 C ATOM 209 OE1 GLU A 14 -0.721 14.911 13.536 1.00 0.00 O ATOM 210 OE2 GLU A 14 -1.017 17.044 14.101 1.00 0.00 O ATOM 0 H GLU A 14 3.000 13.319 11.820 1.00 0.00 H new ATOM 0 HA GLU A 14 3.180 16.130 11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.012 14.872 11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.482 14.493 13.096 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.546 17.089 13.462 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.644 17.182 11.963 1.00 0.00 H new ATOM 217 N GLN A 15 4.137 14.855 14.067 1.00 0.00 N ATOM 218 CA GLN A 15 4.926 15.058 15.280 1.00 0.00 C ATOM 219 C GLN A 15 6.367 15.333 14.905 1.00 0.00 C ATOM 220 O GLN A 15 7.057 16.040 15.602 1.00 0.00 O ATOM 221 CB GLN A 15 4.880 13.879 16.313 1.00 0.00 C ATOM 222 CG GLN A 15 5.179 14.215 17.804 1.00 0.00 C ATOM 223 CD GLN A 15 4.008 14.940 18.502 1.00 0.00 C ATOM 224 OE1 GLN A 15 2.749 14.692 18.066 1.00 0.00 O flip ATOM 225 NE2 GLN A 15 4.234 15.742 19.406 1.00 0.00 N flip ATOM 0 H GLN A 15 3.828 13.888 13.967 1.00 0.00 H new ATOM 0 HA GLN A 15 4.467 15.909 15.783 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.890 13.427 16.263 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.593 13.121 15.990 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.401 13.293 18.342 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.071 14.839 17.859 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.193 15.908 19.713 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.463 16.242 19.849 1.00 0.00 H new ATOM 234 N ALA A 16 6.824 14.909 13.699 1.00 0.00 N ATOM 235 CA ALA A 16 8.126 15.240 13.114 1.00 0.00 C ATOM 236 C ALA A 16 8.182 16.625 12.457 1.00 0.00 C ATOM 237 O ALA A 16 9.223 17.042 11.957 1.00 0.00 O ATOM 238 CB ALA A 16 8.608 14.160 12.109 1.00 0.00 C ATOM 0 H ALA A 16 6.267 14.306 13.094 1.00 0.00 H new ATOM 0 HA ALA A 16 8.807 15.264 13.965 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.577 14.449 11.701 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.701 13.202 12.621 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.886 14.070 11.298 1.00 0.00 H new ATOM 244 N ALA A 17 7.042 17.384 12.480 1.00 0.00 N ATOM 245 CA ALA A 17 7.010 18.836 12.316 1.00 0.00 C ATOM 246 C ALA A 17 7.098 19.507 13.674 1.00 0.00 C ATOM 247 O ALA A 17 7.814 20.488 13.862 1.00 0.00 O ATOM 248 CB ALA A 17 5.723 19.342 11.608 1.00 0.00 C ATOM 0 H ALA A 17 6.117 16.977 12.616 1.00 0.00 H new ATOM 0 HA ALA A 17 7.863 19.093 11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.761 20.428 11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.655 18.897 10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.849 19.057 12.194 1.00 0.00 H new ATOM 254 N LYS A 18 6.326 18.969 14.651 1.00 0.00 N ATOM 255 CA LYS A 18 6.049 19.552 15.954 1.00 0.00 C ATOM 256 C LYS A 18 7.144 19.278 16.970 1.00 0.00 C ATOM 257 O LYS A 18 7.314 20.025 17.929 1.00 0.00 O ATOM 258 CB LYS A 18 4.687 19.054 16.511 1.00 0.00 C ATOM 259 CG LYS A 18 4.215 19.753 17.796 1.00 0.00 C ATOM 260 CD LYS A 18 2.792 19.359 18.192 1.00 0.00 C ATOM 261 CE LYS A 18 2.326 20.079 19.466 1.00 0.00 C ATOM 262 NZ LYS A 18 0.894 19.790 19.768 1.00 0.00 N ATOM 0 H LYS A 18 5.863 18.069 14.528 1.00 0.00 H new ATOM 0 HA LYS A 18 6.007 20.630 15.797 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.926 19.188 15.742 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.760 17.984 16.704 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.896 19.506 18.610 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.263 20.833 17.656 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.111 19.593 17.374 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.745 18.281 18.347 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.946 19.769 20.307 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.464 21.154 19.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.614 20.292 20.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.301 20.109 18.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.768 18.767 19.905 1.00 0.00 H new ATOM 276 N ASP A 19 7.989 18.230 16.764 1.00 0.00 N ATOM 277 CA ASP A 19 9.095 17.854 17.639 1.00 0.00 C ATOM 278 C ASP A 19 10.349 18.698 17.369 1.00 0.00 C ATOM 279 O ASP A 19 11.363 18.629 18.054 1.00 0.00 O ATOM 280 CB ASP A 19 9.322 16.300 17.607 1.00 0.00 C ATOM 281 CG ASP A 19 9.659 15.732 18.968 1.00 0.00 C ATOM 282 OD1 ASP A 19 8.946 16.129 19.941 1.00 0.00 O ATOM 283 OD2 ASP A 19 10.572 14.859 19.037 1.00 0.00 O ATOM 0 H ASP A 19 7.902 17.615 15.955 1.00 0.00 H new ATOM 0 HA ASP A 19 8.831 18.090 18.670 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.424 15.813 17.227 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.129 16.069 16.911 1.00 0.00 H new ATOM 288 N ALA A 20 10.229 19.620 16.373 1.00 0.00 N ATOM 289 CA ALA A 20 11.066 20.784 16.143 1.00 0.00 C ATOM 290 C ALA A 20 10.539 22.023 16.860 1.00 0.00 C ATOM 291 O ALA A 20 11.317 22.944 17.103 1.00 0.00 O ATOM 292 CB ALA A 20 11.237 21.084 14.625 1.00 0.00 C ATOM 0 H ALA A 20 9.489 19.545 15.675 1.00 0.00 H new ATOM 0 HA ALA A 20 12.043 20.539 16.560 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.870 21.962 14.497 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.701 20.228 14.135 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.260 21.272 14.179 1.00 0.00 H new ATOM 298 N GLU A 21 9.216 22.095 17.229 1.00 0.00 N ATOM 299 CA GLU A 21 8.585 23.234 17.923 1.00 0.00 C ATOM 300 C GLU A 21 8.666 23.037 19.435 1.00 0.00 C ATOM 301 O GLU A 21 8.654 23.990 20.219 1.00 0.00 O ATOM 302 CB GLU A 21 7.086 23.471 17.512 1.00 0.00 C ATOM 303 CG GLU A 21 6.810 23.733 16.001 1.00 0.00 C ATOM 304 CD GLU A 21 5.298 23.952 15.755 1.00 0.00 C ATOM 305 OE1 GLU A 21 4.521 23.112 16.277 1.00 0.00 O ATOM 306 OE2 GLU A 21 4.908 24.941 15.081 1.00 0.00 O ATOM 0 H GLU A 21 8.560 21.338 17.040 1.00 0.00 H new ATOM 0 HA GLU A 21 9.143 24.119 17.618 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.507 22.600 17.818 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.707 24.321 18.080 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.369 24.608 15.670 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.162 22.888 15.409 1.00 0.00 H new ATOM 313 N ASN A 22 8.780 21.738 19.843 1.00 0.00 N ATOM 314 CA ASN A 22 8.976 21.192 21.188 1.00 0.00 C ATOM 315 C ASN A 22 10.354 21.493 21.746 1.00 0.00 C ATOM 316 O ASN A 22 10.469 21.678 22.949 1.00 0.00 O ATOM 317 CB ASN A 22 8.810 19.628 21.315 1.00 0.00 C ATOM 318 CG ASN A 22 7.406 19.148 21.643 1.00 0.00 C ATOM 319 OD1 ASN A 22 6.667 19.822 22.367 1.00 0.00 O ATOM 320 ND2 ASN A 22 7.028 17.915 21.184 1.00 0.00 N ATOM 0 H ASN A 22 8.729 20.986 19.156 1.00 0.00 H new ATOM 0 HA ASN A 22 8.182 21.690 21.745 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.123 19.169 20.377 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.489 19.269 22.088 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.117 17.533 21.439 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.657 17.378 20.587 1.00 0.00 H new ATOM 327 N ALA A 23 11.436 21.596 20.928 1.00 0.00 N ATOM 328 CA ALA A 23 12.813 21.698 21.435 1.00 0.00 C ATOM 329 C ALA A 23 13.157 23.042 22.066 1.00 0.00 C ATOM 330 O ALA A 23 13.930 23.123 23.014 1.00 0.00 O ATOM 331 CB ALA A 23 13.877 21.370 20.356 1.00 0.00 C ATOM 0 H ALA A 23 11.370 21.610 19.910 1.00 0.00 H new ATOM 0 HA ALA A 23 12.843 20.944 22.221 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.874 21.462 20.788 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.729 20.351 19.997 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.777 22.066 19.523 1.00 0.00 H new ATOM 337 N SER A 24 12.532 24.148 21.586 1.00 0.00 N ATOM 338 CA SER A 24 12.586 25.475 22.197 1.00 0.00 C ATOM 339 C SER A 24 11.443 25.683 23.197 1.00 0.00 C ATOM 340 O SER A 24 11.349 26.735 23.822 1.00 0.00 O ATOM 341 CB SER A 24 12.684 26.619 21.130 1.00 0.00 C ATOM 342 OG SER A 24 13.218 27.840 21.642 1.00 0.00 O ATOM 0 H SER A 24 11.964 24.126 20.739 1.00 0.00 H new ATOM 0 HA SER A 24 13.511 25.529 22.771 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.307 26.279 20.303 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.691 26.810 20.723 1.00 0.00 H new ATOM 0 HG SER A 24 12.880 27.989 22.550 1.00 0.00 H new ATOM 348 N LYS A 25 10.552 24.667 23.418 1.00 0.00 N ATOM 349 CA LYS A 25 9.495 24.615 24.424 1.00 0.00 C ATOM 350 C LYS A 25 10.045 23.977 25.695 1.00 0.00 C ATOM 351 O LYS A 25 9.453 24.011 26.769 1.00 0.00 O ATOM 352 CB LYS A 25 8.266 23.872 23.824 1.00 0.00 C ATOM 353 CG LYS A 25 6.992 23.724 24.644 1.00 0.00 C ATOM 354 CD LYS A 25 6.895 22.394 25.404 1.00 0.00 C ATOM 355 CE LYS A 25 5.870 22.328 26.564 1.00 0.00 C ATOM 356 NZ LYS A 25 4.670 23.181 26.363 1.00 0.00 N ATOM 0 H LYS A 25 10.573 23.819 22.851 1.00 0.00 H new ATOM 0 HA LYS A 25 9.153 25.612 24.703 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.999 24.382 22.899 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.595 22.869 23.552 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.934 24.545 25.359 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.132 23.816 23.981 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.649 21.610 24.688 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.880 22.160 25.807 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.550 21.294 26.693 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.364 22.627 27.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.910 22.867 27.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.909 24.171 26.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.350 23.103 25.377 1.00 0.00 H new ATOM 370 N GLU A 26 11.286 23.428 25.598 1.00 0.00 N ATOM 371 CA GLU A 26 12.114 22.918 26.685 1.00 0.00 C ATOM 372 C GLU A 26 12.921 24.028 27.354 1.00 0.00 C ATOM 373 O GLU A 26 13.718 23.771 28.254 1.00 0.00 O ATOM 374 CB GLU A 26 13.067 21.808 26.150 1.00 0.00 C ATOM 375 CG GLU A 26 12.299 20.597 25.580 1.00 0.00 C ATOM 376 CD GLU A 26 13.225 19.645 24.815 1.00 0.00 C ATOM 377 OE1 GLU A 26 14.453 19.683 25.105 1.00 0.00 O ATOM 378 OE2 GLU A 26 12.734 18.877 23.947 1.00 0.00 O ATOM 0 H GLU A 26 11.749 23.332 24.694 1.00 0.00 H new ATOM 0 HA GLU A 26 11.450 22.496 27.439 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.708 22.226 25.374 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.720 21.474 26.956 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.815 20.057 26.394 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.509 20.947 24.916 1.00 0.00 H new ATOM 385 N ALA A 27 12.694 25.304 26.937 1.00 0.00 N ATOM 386 CA ALA A 27 13.041 26.517 27.650 1.00 0.00 C ATOM 387 C ALA A 27 11.948 27.052 28.569 1.00 0.00 C ATOM 388 O ALA A 27 12.221 27.953 29.360 1.00 0.00 O ATOM 389 CB ALA A 27 13.530 27.636 26.696 1.00 0.00 C ATOM 0 H ALA A 27 12.239 25.500 26.045 1.00 0.00 H new ATOM 0 HA ALA A 27 13.863 26.214 28.298 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.778 28.525 27.275 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.414 27.295 26.158 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.742 27.876 25.983 1.00 0.00 H new ATOM 395 N GLU A 28 10.680 26.530 28.516 1.00 0.00 N ATOM 396 CA GLU A 28 9.428 27.120 29.034 1.00 0.00 C ATOM 397 C GLU A 28 9.385 27.293 30.556 1.00 0.00 C ATOM 398 O GLU A 28 8.712 28.179 31.075 1.00 0.00 O ATOM 399 CB GLU A 28 8.166 26.342 28.513 1.00 0.00 C ATOM 400 CG GLU A 28 6.769 26.992 28.757 1.00 0.00 C ATOM 401 CD GLU A 28 5.614 26.260 28.036 1.00 0.00 C ATOM 402 OE1 GLU A 28 5.838 25.308 27.240 1.00 0.00 O ATOM 403 OE2 GLU A 28 4.449 26.660 28.264 1.00 0.00 O ATOM 0 H GLU A 28 10.509 25.625 28.078 1.00 0.00 H new ATOM 0 HA GLU A 28 9.407 28.132 28.631 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.284 26.190 27.440 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.164 25.355 28.976 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.566 27.008 29.828 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.796 28.029 28.423 1.00 0.00 H new ATOM 410 N GLU A 29 10.194 26.470 31.275 1.00 0.00 N ATOM 411 CA GLU A 29 10.403 26.505 32.717 1.00 0.00 C ATOM 412 C GLU A 29 11.532 27.427 33.155 1.00 0.00 C ATOM 413 O GLU A 29 11.548 27.916 34.284 1.00 0.00 O ATOM 414 CB GLU A 29 10.667 25.072 33.281 1.00 0.00 C ATOM 415 CG GLU A 29 9.379 24.393 33.766 1.00 0.00 C ATOM 416 CD GLU A 29 8.954 25.073 35.067 1.00 0.00 C ATOM 417 OE1 GLU A 29 9.470 24.627 36.119 1.00 0.00 O ATOM 418 OE2 GLU A 29 8.143 26.038 35.000 1.00 0.00 O ATOM 0 H GLU A 29 10.738 25.733 30.826 1.00 0.00 H new ATOM 0 HA GLU A 29 9.478 26.909 33.128 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.130 24.459 32.508 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.376 25.133 34.106 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.594 24.481 33.015 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.546 23.328 33.928 1.00 0.00 H new ATOM 425 N ALA A 30 12.511 27.725 32.256 1.00 0.00 N ATOM 426 CA ALA A 30 13.621 28.641 32.515 1.00 0.00 C ATOM 427 C ALA A 30 13.220 30.043 32.106 1.00 0.00 C ATOM 428 O ALA A 30 13.635 31.050 32.681 1.00 0.00 O ATOM 429 CB ALA A 30 14.881 28.218 31.721 1.00 0.00 C ATOM 0 H ALA A 30 12.537 27.320 31.320 1.00 0.00 H new ATOM 0 HA ALA A 30 13.854 28.612 33.579 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.693 28.914 31.930 1.00 0.00 H new ATOM 0 HB2 ALA A 30 15.179 27.213 32.020 1.00 0.00 H new ATOM 0 HB3 ALA A 30 14.659 28.229 30.654 1.00 0.00 H new ATOM 435 N ALA A 31 12.316 30.095 31.091 1.00 0.00 N ATOM 436 CA ALA A 31 11.707 31.247 30.452 1.00 0.00 C ATOM 437 C ALA A 31 10.410 31.643 31.126 1.00 0.00 C ATOM 438 O ALA A 31 9.517 32.211 30.494 1.00 0.00 O ATOM 439 CB ALA A 31 11.434 30.969 28.944 1.00 0.00 C ATOM 0 H ALA A 31 11.974 29.230 30.672 1.00 0.00 H new ATOM 0 HA ALA A 31 12.416 32.070 30.548 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.978 31.848 28.489 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.374 30.746 28.439 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.759 30.118 28.847 1.00 0.00 H new ATOM 445 N LYS A 32 10.321 31.352 32.449 1.00 0.00 N ATOM 446 CA LYS A 32 9.245 31.712 33.346 1.00 0.00 C ATOM 447 C LYS A 32 9.741 32.840 34.240 1.00 0.00 C ATOM 448 O LYS A 32 9.564 34.022 33.924 1.00 0.00 O ATOM 449 CB LYS A 32 8.721 30.482 34.149 1.00 0.00 C ATOM 450 CG LYS A 32 7.303 30.626 34.745 1.00 0.00 C ATOM 451 CD LYS A 32 6.230 29.862 33.952 1.00 0.00 C ATOM 452 CE LYS A 32 4.804 30.189 34.438 1.00 0.00 C ATOM 453 NZ LYS A 32 3.778 29.395 33.701 1.00 0.00 N ATOM 0 H LYS A 32 11.054 30.827 32.926 1.00 0.00 H new ATOM 0 HA LYS A 32 8.382 32.061 32.779 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.733 29.611 33.493 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.418 30.278 34.962 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.310 30.265 35.774 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.036 31.682 34.779 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.317 30.110 32.894 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.407 28.790 34.044 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.727 29.983 35.506 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.608 31.253 34.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.831 29.640 34.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.836 29.610 32.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.951 28.380 33.850 1.00 0.00 H new ATOM 467 N GLU A 33 10.439 32.501 35.363 1.00 0.00 N ATOM 468 CA GLU A 33 10.772 33.387 36.490 1.00 0.00 C ATOM 469 C GLU A 33 11.874 34.393 36.217 1.00 0.00 C ATOM 470 O GLU A 33 12.050 35.369 36.942 1.00 0.00 O ATOM 471 CB GLU A 33 11.231 32.586 37.749 1.00 0.00 C ATOM 472 CG GLU A 33 10.221 31.556 38.267 1.00 0.00 C ATOM 473 CD GLU A 33 8.908 32.269 38.531 1.00 0.00 C ATOM 474 OE1 GLU A 33 8.938 33.236 39.335 1.00 0.00 O ATOM 475 OE2 GLU A 33 7.884 31.873 37.927 1.00 0.00 O ATOM 0 H GLU A 33 10.796 31.555 35.501 1.00 0.00 H new ATOM 0 HA GLU A 33 9.835 33.920 36.654 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.163 32.072 37.514 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.450 33.292 38.550 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.081 30.760 37.535 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.590 31.088 39.180 1.00 0.00 H new ATOM 482 N ALA A 34 12.657 34.144 35.149 1.00 0.00 N ATOM 483 CA ALA A 34 13.743 34.993 34.719 1.00 0.00 C ATOM 484 C ALA A 34 13.304 36.038 33.715 1.00 0.00 C ATOM 485 O ALA A 34 13.734 37.187 33.761 1.00 0.00 O ATOM 486 CB ALA A 34 14.863 34.122 34.105 1.00 0.00 C ATOM 0 H ALA A 34 12.534 33.322 34.558 1.00 0.00 H new ATOM 0 HA ALA A 34 14.109 35.524 35.598 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.684 34.761 33.780 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.226 33.417 34.852 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.469 33.573 33.249 1.00 0.00 H new ATOM 492 N VAL A 35 12.475 35.607 32.731 1.00 0.00 N ATOM 493 CA VAL A 35 12.308 36.289 31.458 1.00 0.00 C ATOM 494 C VAL A 35 10.999 37.042 31.453 1.00 0.00 C ATOM 495 O VAL A 35 10.868 38.061 30.772 1.00 0.00 O ATOM 496 CB VAL A 35 12.407 35.313 30.275 1.00 0.00 C ATOM 497 CG1 VAL A 35 12.497 36.054 28.921 1.00 0.00 C ATOM 498 CG2 VAL A 35 13.682 34.451 30.446 1.00 0.00 C ATOM 0 H VAL A 35 11.905 34.765 32.817 1.00 0.00 H new ATOM 0 HA VAL A 35 13.121 37.005 31.337 1.00 0.00 H new ATOM 0 HB VAL A 35 11.507 34.699 30.270 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.565 35.327 28.112 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.607 36.668 28.782 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.382 36.690 28.913 1.00 0.00 H new ATOM 0 HG21 VAL A 35 13.764 33.754 29.612 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.559 35.098 30.465 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.622 33.894 31.381 1.00 0.00 H new ATOM 508 N ASN A 36 9.984 36.558 32.212 1.00 0.00 N ATOM 509 CA ASN A 36 8.682 37.211 32.206 1.00 0.00 C ATOM 510 C ASN A 36 8.238 37.526 33.612 1.00 0.00 C ATOM 511 O ASN A 36 7.569 38.538 33.820 1.00 0.00 O ATOM 512 CB ASN A 36 7.639 36.475 31.303 1.00 0.00 C ATOM 513 CG ASN A 36 6.959 35.227 31.875 1.00 0.00 C ATOM 514 OD1 ASN A 36 5.997 35.435 32.606 1.00 0.00 O ATOM 515 ND2 ASN A 36 7.372 33.977 31.554 1.00 0.00 N ATOM 0 H ASN A 36 10.052 35.739 32.816 1.00 0.00 H new ATOM 0 HA ASN A 36 8.774 38.180 31.716 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.860 37.190 31.038 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.138 36.190 30.377 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.877 33.166 31.924 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.178 33.848 30.942 1.00 0.00 H new ATOM 522 N LEU A 37 8.629 36.666 34.594 1.00 0.00 N ATOM 523 CA LEU A 37 8.491 36.845 36.035 1.00 0.00 C ATOM 524 C LEU A 37 7.182 36.265 36.558 1.00 0.00 C ATOM 525 O LEU A 37 6.948 36.337 37.762 1.00 0.00 O ATOM 526 CB LEU A 37 8.746 38.300 36.642 1.00 0.00 C ATOM 527 CG LEU A 37 10.222 38.772 36.839 1.00 0.00 C ATOM 528 CD1 LEU A 37 10.860 38.219 38.135 1.00 0.00 C ATOM 529 CD2 LEU A 37 11.114 38.582 35.604 1.00 0.00 C ATOM 0 H LEU A 37 9.076 35.778 34.366 1.00 0.00 H new ATOM 0 HA LEU A 37 9.340 36.272 36.407 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.250 39.022 35.994 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.250 38.348 37.611 1.00 0.00 H new ATOM 0 HG LEU A 37 10.155 39.852 36.967 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.885 38.580 38.219 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.285 38.557 38.997 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.860 37.129 38.104 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.121 38.935 35.825 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.149 37.525 35.340 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.705 39.151 34.769 1.00 0.00 H new ATOM 541 N LYS A 38 6.255 35.731 35.712 1.00 0.00 N ATOM 542 CA LYS A 38 4.905 35.405 36.130 1.00 0.00 C ATOM 543 C LYS A 38 4.578 33.993 35.623 1.00 0.00 C ATOM 544 O LYS A 38 5.217 33.575 34.609 1.00 0.00 O ATOM 545 CB LYS A 38 3.804 36.344 35.549 1.00 0.00 C ATOM 546 CG LYS A 38 4.008 37.878 35.621 1.00 0.00 C ATOM 547 CD LYS A 38 3.564 38.662 36.890 1.00 0.00 C ATOM 548 CE LYS A 38 4.545 38.747 38.083 1.00 0.00 C ATOM 549 NZ LYS A 38 4.710 37.462 38.729 1.00 0.00 N ATOM 550 OXT LYS A 38 3.652 33.361 36.167 1.00 0.00 O ATOM 0 H LYS A 38 6.444 35.524 34.731 1.00 0.00 H new ATOM 0 HA LYS A 38 4.892 35.506 37.215 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.666 36.080 34.501 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.870 36.112 36.061 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.071 38.071 35.476 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.485 38.315 34.770 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.324 39.680 36.584 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.640 38.212 37.252 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.513 39.107 37.734 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.177 39.474 38.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.730 37.592 39.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.916 36.841 38.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.603 37.029 38.417 1.00 0.00 H new TER 564 LYS A 38