USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=7 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+ 151:sc= 0.693 (180deg=-0.133!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 28:sc= 1.23 USER MOD Single : A 11 GLN : amide:sc= 0.033 X(o=0.033,f=-0.29) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 1.01 (180deg=0.939) USER MOD Single : A 22 ASN : amide:sc= -0.225 K(o=-0.23,f=-3.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0774) USER MOD Single : A 36 ASN : amide:sc= 0.377 K(o=0.38,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ -136:sc= -0.297 (180deg=-2.12!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.977 21.950 -4.280 1.00 0.00 N ATOM 2 CA GLU A 1 5.865 21.498 -2.873 1.00 0.00 C ATOM 3 C GLU A 1 7.194 21.555 -2.180 1.00 0.00 C ATOM 4 O GLU A 1 8.052 20.705 -2.396 1.00 0.00 O ATOM 5 CB GLU A 1 5.240 20.059 -2.874 1.00 0.00 C ATOM 6 CG GLU A 1 3.685 20.040 -2.971 1.00 0.00 C ATOM 7 CD GLU A 1 3.137 21.157 -3.856 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.628 21.261 -5.014 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.361 21.995 -3.335 1.00 0.00 O ATOM 0 H1 GLU A 1 5.254 21.474 -4.856 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.834 22.979 -4.326 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.922 21.715 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 1 5.212 22.163 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.652 19.496 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 1 5.543 19.543 -1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.361 19.077 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.261 20.133 -1.971 1.00 0.00 H new ATOM 18 N ALA A 2 7.375 22.568 -1.302 1.00 0.00 N ATOM 19 CA ALA A 2 8.428 22.631 -0.325 1.00 0.00 C ATOM 20 C ALA A 2 7.982 23.835 0.456 1.00 0.00 C ATOM 21 O ALA A 2 7.230 24.644 -0.088 1.00 0.00 O ATOM 22 CB ALA A 2 9.858 22.847 -0.901 1.00 0.00 C ATOM 0 H ALA A 2 6.758 23.380 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 2 8.543 21.698 0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.578 22.880 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.108 22.025 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.890 23.787 -1.451 1.00 0.00 H new ATOM 28 N TYR A 3 8.396 23.959 1.751 1.00 0.00 N ATOM 29 CA TYR A 3 8.242 25.109 2.658 1.00 0.00 C ATOM 30 C TYR A 3 6.816 25.295 3.196 1.00 0.00 C ATOM 31 O TYR A 3 6.485 26.304 3.811 1.00 0.00 O ATOM 32 CB TYR A 3 8.883 26.466 2.131 1.00 0.00 C ATOM 33 CG TYR A 3 8.892 27.609 3.150 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.540 27.479 4.396 1.00 0.00 C ATOM 35 CD2 TYR A 3 8.056 28.729 2.945 1.00 0.00 C ATOM 36 CE1 TYR A 3 9.290 28.393 5.432 1.00 0.00 C ATOM 37 CE2 TYR A 3 7.808 29.648 3.976 1.00 0.00 C ATOM 38 CZ TYR A 3 8.418 29.474 5.226 1.00 0.00 C ATOM 39 OH TYR A 3 8.129 30.350 6.297 1.00 0.00 O ATOM 0 H TYR A 3 8.883 23.190 2.212 1.00 0.00 H new ATOM 0 HA TYR A 3 8.850 24.830 3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.908 26.270 1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.335 26.791 1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.236 26.668 4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.600 28.881 1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.770 28.264 6.391 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.149 30.487 3.807 1.00 0.00 H new ATOM 0 HH TYR A 3 7.511 31.046 5.992 1.00 0.00 H new ATOM 49 N LYS A 4 5.896 24.332 2.984 1.00 0.00 N ATOM 50 CA LYS A 4 4.485 24.498 3.272 1.00 0.00 C ATOM 51 C LYS A 4 4.228 23.881 4.610 1.00 0.00 C ATOM 52 O LYS A 4 4.777 22.834 4.930 1.00 0.00 O ATOM 53 CB LYS A 4 3.553 23.899 2.174 1.00 0.00 C ATOM 54 CG LYS A 4 3.671 24.603 0.798 1.00 0.00 C ATOM 55 CD LYS A 4 2.857 25.905 0.622 1.00 0.00 C ATOM 56 CE LYS A 4 3.316 27.136 1.438 1.00 0.00 C ATOM 57 NZ LYS A 4 2.628 28.359 0.972 1.00 0.00 N ATOM 0 H LYS A 4 6.129 23.415 2.604 1.00 0.00 H new ATOM 0 HA LYS A 4 4.247 25.562 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.786 22.841 2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.520 23.960 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.722 24.830 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.361 23.899 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.872 26.174 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.820 25.694 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.107 26.976 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.395 27.261 1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.950 29.174 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.848 28.520 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.601 28.244 1.087 1.00 0.00 H new ATOM 71 N LYS A 5 3.421 24.583 5.437 1.00 0.00 N ATOM 72 CA LYS A 5 3.200 24.281 6.836 1.00 0.00 C ATOM 73 C LYS A 5 1.758 23.846 6.996 1.00 0.00 C ATOM 74 O LYS A 5 1.317 23.488 8.082 1.00 0.00 O ATOM 75 CB LYS A 5 3.542 25.501 7.750 1.00 0.00 C ATOM 76 CG LYS A 5 4.988 26.032 7.579 1.00 0.00 C ATOM 77 CD LYS A 5 6.062 24.955 7.826 1.00 0.00 C ATOM 78 CE LYS A 5 7.518 25.430 7.703 1.00 0.00 C ATOM 79 NZ LYS A 5 8.427 24.263 7.878 1.00 0.00 N ATOM 0 H LYS A 5 2.897 25.399 5.121 1.00 0.00 H new ATOM 0 HA LYS A 5 3.865 23.477 7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.842 26.309 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.392 25.215 8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.106 26.429 6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.148 26.861 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.916 24.544 8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.903 24.140 7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.682 25.892 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.731 26.189 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.415 24.577 7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.274 23.842 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.227 23.554 7.144 1.00 0.00 H new ATOM 93 N ALA A 6 1.010 23.857 5.863 1.00 0.00 N ATOM 94 CA ALA A 6 -0.376 23.454 5.729 1.00 0.00 C ATOM 95 C ALA A 6 -0.505 21.990 5.368 1.00 0.00 C ATOM 96 O ALA A 6 -1.177 21.224 6.050 1.00 0.00 O ATOM 97 CB ALA A 6 -1.106 24.294 4.651 1.00 0.00 C ATOM 0 H ALA A 6 1.402 24.170 4.975 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.838 23.624 6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.143 23.967 4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.077 25.347 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.612 24.160 3.689 1.00 0.00 H new ATOM 103 N LYS A 7 0.123 21.574 4.234 1.00 0.00 N ATOM 104 CA LYS A 7 0.122 20.219 3.725 1.00 0.00 C ATOM 105 C LYS A 7 1.449 19.614 4.121 1.00 0.00 C ATOM 106 O LYS A 7 2.418 20.354 4.289 1.00 0.00 O ATOM 107 CB LYS A 7 -0.084 20.194 2.190 1.00 0.00 C ATOM 108 CG LYS A 7 -0.842 18.964 1.693 1.00 0.00 C ATOM 109 CD LYS A 7 -0.830 18.863 0.170 1.00 0.00 C ATOM 110 CE LYS A 7 -1.669 17.696 -0.380 1.00 0.00 C ATOM 111 NZ LYS A 7 -1.208 17.320 -1.741 1.00 0.00 N ATOM 0 H LYS A 7 0.656 22.214 3.645 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.704 19.643 4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.627 21.090 1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.889 20.232 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.395 18.066 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.873 19.006 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.204 19.797 -0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.200 18.750 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.590 16.838 0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.721 17.980 -0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.785 16.531 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.306 18.136 -2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.210 17.029 -1.702 1.00 0.00 H new ATOM 125 N GLN A 8 1.525 18.277 4.287 1.00 0.00 N ATOM 126 CA GLN A 8 2.671 17.607 4.841 1.00 0.00 C ATOM 127 C GLN A 8 2.434 16.220 4.360 1.00 0.00 C ATOM 128 O GLN A 8 1.497 16.004 3.590 1.00 0.00 O ATOM 129 CB GLN A 8 2.740 17.711 6.395 1.00 0.00 C ATOM 130 CG GLN A 8 3.758 18.779 6.835 1.00 0.00 C ATOM 131 CD GLN A 8 3.217 19.488 8.064 1.00 0.00 C ATOM 132 OE1 GLN A 8 2.891 18.835 9.046 1.00 0.00 O ATOM 133 NE2 GLN A 8 3.066 20.825 8.004 1.00 0.00 N ATOM 0 H GLN A 8 0.769 17.643 4.029 1.00 0.00 H new ATOM 0 HA GLN A 8 3.630 18.028 4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.755 17.959 6.790 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.018 16.744 6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.719 18.316 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.928 19.494 6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.350 21.333 7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.667 21.329 8.796 1.00 0.00 H new ATOM 142 N ALA A 9 3.296 15.264 4.797 1.00 0.00 N ATOM 143 CA ALA A 9 3.480 13.961 4.189 1.00 0.00 C ATOM 144 C ALA A 9 2.520 12.936 4.732 1.00 0.00 C ATOM 145 O ALA A 9 1.897 12.240 3.939 1.00 0.00 O ATOM 146 CB ALA A 9 4.936 13.435 4.338 1.00 0.00 C ATOM 0 H ALA A 9 3.893 15.405 5.612 1.00 0.00 H new ATOM 0 HA ALA A 9 3.272 14.106 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.019 12.456 3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.625 14.130 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.186 13.350 5.396 1.00 0.00 H new ATOM 152 N SER A 10 2.366 12.813 6.066 1.00 0.00 N ATOM 153 CA SER A 10 1.595 11.769 6.703 1.00 0.00 C ATOM 154 C SER A 10 1.935 12.047 8.125 1.00 0.00 C ATOM 155 O SER A 10 2.482 13.121 8.398 1.00 0.00 O ATOM 156 CB SER A 10 1.969 10.291 6.300 1.00 0.00 C ATOM 157 OG SER A 10 1.394 9.968 5.043 1.00 0.00 O ATOM 0 H SER A 10 2.791 13.460 6.730 1.00 0.00 H new ATOM 0 HA SER A 10 0.540 11.799 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.052 10.182 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.612 9.597 7.061 1.00 0.00 H new ATOM 0 HG SER A 10 1.290 10.785 4.511 1.00 0.00 H new ATOM 163 N GLN A 11 1.721 11.043 9.035 1.00 0.00 N ATOM 164 CA GLN A 11 1.951 11.065 10.481 1.00 0.00 C ATOM 165 C GLN A 11 3.410 11.238 10.867 1.00 0.00 C ATOM 166 O GLN A 11 3.747 11.731 11.937 1.00 0.00 O ATOM 167 CB GLN A 11 1.447 9.766 11.175 1.00 0.00 C ATOM 168 CG GLN A 11 1.989 8.444 10.567 1.00 0.00 C ATOM 169 CD GLN A 11 2.145 7.406 11.672 1.00 0.00 C ATOM 170 OE1 GLN A 11 1.242 7.315 12.497 1.00 0.00 O ATOM 171 NE2 GLN A 11 3.247 6.615 11.728 1.00 0.00 N ATOM 0 H GLN A 11 1.356 10.140 8.733 1.00 0.00 H new ATOM 0 HA GLN A 11 1.385 11.933 10.820 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.724 9.804 12.229 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.358 9.748 11.132 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.306 8.076 9.801 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.948 8.621 10.081 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.982 6.714 11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.340 5.922 12.471 1.00 0.00 H new ATOM 180 N ASP A 12 4.309 10.912 9.910 1.00 0.00 N ATOM 181 CA ASP A 12 5.755 10.976 9.978 1.00 0.00 C ATOM 182 C ASP A 12 6.253 12.398 9.841 1.00 0.00 C ATOM 183 O ASP A 12 7.381 12.713 10.206 1.00 0.00 O ATOM 184 CB ASP A 12 6.380 10.141 8.829 1.00 0.00 C ATOM 185 CG ASP A 12 6.063 8.649 9.000 1.00 0.00 C ATOM 186 OD1 ASP A 12 5.298 8.244 9.923 1.00 0.00 O ATOM 187 OD2 ASP A 12 6.576 7.890 8.145 1.00 0.00 O ATOM 0 H ASP A 12 3.997 10.571 9.001 1.00 0.00 H new ATOM 0 HA ASP A 12 6.049 10.580 10.950 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.997 10.491 7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.460 10.288 8.813 1.00 0.00 H new ATOM 192 N ALA A 13 5.374 13.301 9.328 1.00 0.00 N ATOM 193 CA ALA A 13 5.620 14.725 9.217 1.00 0.00 C ATOM 194 C ALA A 13 4.863 15.435 10.318 1.00 0.00 C ATOM 195 O ALA A 13 5.199 16.565 10.652 1.00 0.00 O ATOM 196 CB ALA A 13 5.211 15.300 7.837 1.00 0.00 C ATOM 0 H ALA A 13 4.456 13.029 8.977 1.00 0.00 H new ATOM 0 HA ALA A 13 6.693 14.888 9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.418 16.370 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.780 14.802 7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.146 15.133 7.674 1.00 0.00 H new ATOM 202 N GLU A 14 3.861 14.756 10.958 1.00 0.00 N ATOM 203 CA GLU A 14 3.033 15.262 12.041 1.00 0.00 C ATOM 204 C GLU A 14 3.698 15.029 13.390 1.00 0.00 C ATOM 205 O GLU A 14 3.604 15.856 14.292 1.00 0.00 O ATOM 206 CB GLU A 14 1.627 14.599 12.048 1.00 0.00 C ATOM 207 CG GLU A 14 0.557 15.370 12.860 1.00 0.00 C ATOM 208 CD GLU A 14 -0.145 14.442 13.858 1.00 0.00 C ATOM 209 OE1 GLU A 14 -0.367 13.259 13.483 1.00 0.00 O ATOM 210 OE2 GLU A 14 -0.472 14.905 14.995 1.00 0.00 O ATOM 0 H GLU A 14 3.618 13.799 10.702 1.00 0.00 H new ATOM 0 HA GLU A 14 2.915 16.332 11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.281 14.499 11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.716 13.591 12.454 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.025 16.197 13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.178 15.804 12.182 1.00 0.00 H new ATOM 217 N GLN A 15 4.456 13.901 13.525 1.00 0.00 N ATOM 218 CA GLN A 15 5.203 13.449 14.701 1.00 0.00 C ATOM 219 C GLN A 15 6.421 14.327 14.924 1.00 0.00 C ATOM 220 O GLN A 15 6.740 14.781 16.023 1.00 0.00 O ATOM 221 CB GLN A 15 5.703 11.996 14.447 1.00 0.00 C ATOM 222 CG GLN A 15 6.597 11.325 15.518 1.00 0.00 C ATOM 223 CD GLN A 15 5.745 10.577 16.533 1.00 0.00 C ATOM 224 OE1 GLN A 15 5.056 9.625 16.175 1.00 0.00 O ATOM 225 NE2 GLN A 15 5.826 10.953 17.830 1.00 0.00 N ATOM 0 H GLN A 15 4.557 13.248 12.748 1.00 0.00 H new ATOM 0 HA GLN A 15 4.550 13.498 15.573 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.827 11.364 14.303 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.254 11.995 13.507 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.292 10.635 15.039 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.197 12.081 16.025 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.407 11.748 18.095 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.306 10.441 18.543 1.00 0.00 H new ATOM 234 N ALA A 16 7.071 14.657 13.778 1.00 0.00 N ATOM 235 CA ALA A 16 8.269 15.457 13.621 1.00 0.00 C ATOM 236 C ALA A 16 7.995 16.938 13.828 1.00 0.00 C ATOM 237 O ALA A 16 8.913 17.720 14.037 1.00 0.00 O ATOM 238 CB ALA A 16 8.908 15.234 12.221 1.00 0.00 C ATOM 0 H ALA A 16 6.724 14.332 12.875 1.00 0.00 H new ATOM 0 HA ALA A 16 8.968 15.130 14.390 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.805 15.846 12.129 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.172 14.183 12.105 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.195 15.517 11.446 1.00 0.00 H new ATOM 244 N ALA A 17 6.684 17.319 13.804 1.00 0.00 N ATOM 245 CA ALA A 17 6.182 18.660 14.079 1.00 0.00 C ATOM 246 C ALA A 17 5.850 18.866 15.554 1.00 0.00 C ATOM 247 O ALA A 17 5.813 19.994 16.046 1.00 0.00 O ATOM 248 CB ALA A 17 4.943 19.006 13.217 1.00 0.00 C ATOM 0 H ALA A 17 5.937 16.661 13.582 1.00 0.00 H new ATOM 0 HA ALA A 17 6.994 19.337 13.812 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.604 20.014 13.456 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.208 18.953 12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.144 18.295 13.427 1.00 0.00 H new ATOM 254 N LYS A 18 5.630 17.758 16.326 1.00 0.00 N ATOM 255 CA LYS A 18 5.310 17.824 17.758 1.00 0.00 C ATOM 256 C LYS A 18 6.566 17.820 18.605 1.00 0.00 C ATOM 257 O LYS A 18 6.644 18.492 19.629 1.00 0.00 O ATOM 258 CB LYS A 18 4.354 16.697 18.233 1.00 0.00 C ATOM 259 CG LYS A 18 2.935 16.901 17.685 1.00 0.00 C ATOM 260 CD LYS A 18 1.946 15.819 18.145 1.00 0.00 C ATOM 261 CE LYS A 18 0.461 16.231 18.080 1.00 0.00 C ATOM 262 NZ LYS A 18 0.041 16.660 16.724 1.00 0.00 N ATOM 0 H LYS A 18 5.673 16.807 15.960 1.00 0.00 H new ATOM 0 HA LYS A 18 4.783 18.769 17.892 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.737 15.730 17.906 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.326 16.676 19.322 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.568 17.877 18.001 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.971 16.911 16.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.089 14.930 17.530 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.186 15.539 19.171 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.158 15.392 18.398 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.283 17.044 18.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.950 16.973 16.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.644 17.445 16.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.134 15.862 16.063 1.00 0.00 H new ATOM 276 N ASP A 19 7.631 17.105 18.146 1.00 0.00 N ATOM 277 CA ASP A 19 8.945 17.069 18.796 1.00 0.00 C ATOM 278 C ASP A 19 9.821 18.233 18.348 1.00 0.00 C ATOM 279 O ASP A 19 10.951 18.397 18.798 1.00 0.00 O ATOM 280 CB ASP A 19 9.699 15.716 18.604 1.00 0.00 C ATOM 281 CG ASP A 19 8.875 14.610 19.264 1.00 0.00 C ATOM 282 OD1 ASP A 19 8.628 14.779 20.491 1.00 0.00 O ATOM 283 OD2 ASP A 19 8.470 13.625 18.585 1.00 0.00 O ATOM 0 H ASP A 19 7.586 16.534 17.302 1.00 0.00 H new ATOM 0 HA ASP A 19 8.744 17.167 19.863 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.837 15.505 17.544 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.692 15.768 19.051 1.00 0.00 H new ATOM 288 N ALA A 20 9.258 19.124 17.485 1.00 0.00 N ATOM 289 CA ALA A 20 9.838 20.369 17.020 1.00 0.00 C ATOM 290 C ALA A 20 9.453 21.521 17.926 1.00 0.00 C ATOM 291 O ALA A 20 10.275 22.397 18.183 1.00 0.00 O ATOM 292 CB ALA A 20 9.427 20.700 15.562 1.00 0.00 C ATOM 0 H ALA A 20 8.334 18.962 17.085 1.00 0.00 H new ATOM 0 HA ALA A 20 10.919 20.234 17.046 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.886 21.641 15.259 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.763 19.903 14.899 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.342 20.789 15.501 1.00 0.00 H new ATOM 298 N GLU A 21 8.189 21.548 18.452 1.00 0.00 N ATOM 299 CA GLU A 21 7.689 22.598 19.344 1.00 0.00 C ATOM 300 C GLU A 21 7.947 22.267 20.806 1.00 0.00 C ATOM 301 O GLU A 21 8.047 23.156 21.648 1.00 0.00 O ATOM 302 CB GLU A 21 6.190 22.982 19.136 1.00 0.00 C ATOM 303 CG GLU A 21 5.952 23.808 17.849 1.00 0.00 C ATOM 304 CD GLU A 21 4.618 24.567 17.882 1.00 0.00 C ATOM 305 OE1 GLU A 21 3.863 24.440 18.885 1.00 0.00 O ATOM 306 OE2 GLU A 21 4.354 25.315 16.901 1.00 0.00 O ATOM 0 H GLU A 21 7.496 20.826 18.255 1.00 0.00 H new ATOM 0 HA GLU A 21 8.265 23.480 19.063 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.590 22.073 19.094 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.844 23.553 19.997 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.769 24.518 17.720 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.968 23.143 16.985 1.00 0.00 H new ATOM 313 N ASN A 22 8.157 20.958 21.135 1.00 0.00 N ATOM 314 CA ASN A 22 8.492 20.465 22.484 1.00 0.00 C ATOM 315 C ASN A 22 9.816 21.016 23.039 1.00 0.00 C ATOM 316 O ASN A 22 9.889 21.379 24.210 1.00 0.00 O ATOM 317 CB ASN A 22 8.466 18.899 22.605 1.00 0.00 C ATOM 318 CG ASN A 22 7.111 18.391 23.138 1.00 0.00 C ATOM 319 OD1 ASN A 22 6.678 18.872 24.188 1.00 0.00 O ATOM 320 ND2 ASN A 22 6.464 17.399 22.478 1.00 0.00 N ATOM 0 H ASN A 22 8.094 20.209 20.446 1.00 0.00 H new ATOM 0 HA ASN A 22 7.688 20.861 23.105 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.663 18.455 21.629 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.265 18.572 23.271 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.589 17.026 22.848 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.852 17.025 21.612 1.00 0.00 H new ATOM 327 N ALA A 23 10.842 21.200 22.152 1.00 0.00 N ATOM 328 CA ALA A 23 12.171 21.737 22.474 1.00 0.00 C ATOM 329 C ALA A 23 12.205 23.234 22.787 1.00 0.00 C ATOM 330 O ALA A 23 13.142 23.732 23.410 1.00 0.00 O ATOM 331 CB ALA A 23 13.204 21.466 21.351 1.00 0.00 C ATOM 0 H ALA A 23 10.746 20.965 21.164 1.00 0.00 H new ATOM 0 HA ALA A 23 12.437 21.198 23.383 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.170 21.882 21.637 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.303 20.391 21.199 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.867 21.934 20.426 1.00 0.00 H new ATOM 337 N SER A 24 11.147 23.974 22.367 1.00 0.00 N ATOM 338 CA SER A 24 10.894 25.364 22.722 1.00 0.00 C ATOM 339 C SER A 24 10.035 25.462 23.969 1.00 0.00 C ATOM 340 O SER A 24 9.992 26.496 24.624 1.00 0.00 O ATOM 341 CB SER A 24 10.252 26.178 21.566 1.00 0.00 C ATOM 342 OG SER A 24 11.156 26.223 20.466 1.00 0.00 O ATOM 0 H SER A 24 10.431 23.591 21.750 1.00 0.00 H new ATOM 0 HA SER A 24 11.870 25.806 22.923 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.312 25.719 21.261 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.019 27.188 21.902 1.00 0.00 H new ATOM 0 HG SER A 24 10.754 26.735 19.733 1.00 0.00 H new ATOM 348 N LYS A 25 9.346 24.351 24.328 1.00 0.00 N ATOM 349 CA LYS A 25 8.360 24.245 25.394 1.00 0.00 C ATOM 350 C LYS A 25 9.041 23.874 26.708 1.00 0.00 C ATOM 351 O LYS A 25 8.663 24.305 27.792 1.00 0.00 O ATOM 352 CB LYS A 25 7.176 23.325 24.954 1.00 0.00 C ATOM 353 CG LYS A 25 6.302 22.622 26.008 1.00 0.00 C ATOM 354 CD LYS A 25 6.910 21.313 26.534 1.00 0.00 C ATOM 355 CE LYS A 25 5.979 20.503 27.415 1.00 0.00 C ATOM 356 NZ LYS A 25 6.556 19.157 27.589 1.00 0.00 N ATOM 0 H LYS A 25 9.482 23.463 23.845 1.00 0.00 H new ATOM 0 HA LYS A 25 7.894 25.211 25.588 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.512 23.929 24.335 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.592 22.549 24.312 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.140 23.301 26.846 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.324 22.411 25.575 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.213 20.700 25.685 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.813 21.546 27.098 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.853 20.990 28.382 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.990 20.436 26.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.930 18.586 28.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.655 18.699 26.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.491 19.235 28.038 1.00 0.00 H new ATOM 370 N GLU A 26 10.151 23.084 26.618 1.00 0.00 N ATOM 371 CA GLU A 26 11.036 22.794 27.748 1.00 0.00 C ATOM 372 C GLU A 26 12.094 23.872 27.921 1.00 0.00 C ATOM 373 O GLU A 26 12.812 23.910 28.918 1.00 0.00 O ATOM 374 CB GLU A 26 11.760 21.439 27.579 1.00 0.00 C ATOM 375 CG GLU A 26 12.522 21.322 26.245 1.00 0.00 C ATOM 376 CD GLU A 26 13.338 20.062 26.234 1.00 0.00 C ATOM 377 OE1 GLU A 26 12.874 19.043 26.808 1.00 0.00 O ATOM 378 OE2 GLU A 26 14.454 20.107 25.662 1.00 0.00 O ATOM 0 H GLU A 26 10.443 22.637 25.749 1.00 0.00 H new ATOM 0 HA GLU A 26 10.394 22.759 28.628 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.460 21.303 28.403 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.029 20.633 27.645 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.818 21.317 25.413 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.171 22.187 26.109 1.00 0.00 H new ATOM 385 N ALA A 27 12.187 24.793 26.921 1.00 0.00 N ATOM 386 CA ALA A 27 13.095 25.930 26.919 1.00 0.00 C ATOM 387 C ALA A 27 12.452 27.153 27.548 1.00 0.00 C ATOM 388 O ALA A 27 13.136 28.144 27.828 1.00 0.00 O ATOM 389 CB ALA A 27 13.577 26.301 25.495 1.00 0.00 C ATOM 0 H ALA A 27 11.609 24.746 26.082 1.00 0.00 H new ATOM 0 HA ALA A 27 13.958 25.621 27.509 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.252 27.155 25.550 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.101 25.452 25.056 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.718 26.557 24.875 1.00 0.00 H new ATOM 395 N GLU A 28 11.106 27.064 27.813 1.00 0.00 N ATOM 396 CA GLU A 28 10.173 28.116 28.275 1.00 0.00 C ATOM 397 C GLU A 28 10.564 28.835 29.562 1.00 0.00 C ATOM 398 O GLU A 28 10.534 30.063 29.622 1.00 0.00 O ATOM 399 CB GLU A 28 8.689 27.612 28.476 1.00 0.00 C ATOM 400 CG GLU A 28 7.871 27.457 27.181 1.00 0.00 C ATOM 401 CD GLU A 28 6.491 26.818 27.452 1.00 0.00 C ATOM 402 OE1 GLU A 28 5.891 27.248 28.475 1.00 0.00 O ATOM 403 OE2 GLU A 28 6.002 25.946 26.674 1.00 0.00 O ATOM 0 H GLU A 28 10.620 26.175 27.695 1.00 0.00 H new ATOM 0 HA GLU A 28 10.239 28.819 27.445 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.715 26.650 28.988 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.171 28.310 29.134 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.735 28.434 26.717 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.425 26.841 26.472 1.00 0.00 H new ATOM 410 N GLU A 29 10.961 28.058 30.607 1.00 0.00 N ATOM 411 CA GLU A 29 11.250 28.503 31.970 1.00 0.00 C ATOM 412 C GLU A 29 12.698 28.938 32.148 1.00 0.00 C ATOM 413 O GLU A 29 13.058 29.591 33.126 1.00 0.00 O ATOM 414 CB GLU A 29 10.894 27.380 32.994 1.00 0.00 C ATOM 415 CG GLU A 29 9.566 27.641 33.723 1.00 0.00 C ATOM 416 CD GLU A 29 9.230 26.426 34.586 1.00 0.00 C ATOM 417 OE1 GLU A 29 9.086 25.347 33.956 1.00 0.00 O ATOM 418 OE2 GLU A 29 9.144 26.534 35.837 1.00 0.00 O ATOM 0 H GLU A 29 11.090 27.052 30.499 1.00 0.00 H new ATOM 0 HA GLU A 29 10.627 29.378 32.158 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.836 26.424 32.473 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.696 27.295 33.727 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.645 28.534 34.343 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.769 27.823 33.002 1.00 0.00 H new ATOM 425 N ALA A 30 13.553 28.630 31.135 1.00 0.00 N ATOM 426 CA ALA A 30 14.975 28.923 31.032 1.00 0.00 C ATOM 427 C ALA A 30 15.137 30.322 30.460 1.00 0.00 C ATOM 428 O ALA A 30 15.956 31.124 30.915 1.00 0.00 O ATOM 429 CB ALA A 30 15.712 27.874 30.143 1.00 0.00 C ATOM 0 H ALA A 30 13.219 28.130 30.311 1.00 0.00 H new ATOM 0 HA ALA A 30 15.426 28.870 32.023 1.00 0.00 H new ATOM 0 HB1 ALA A 30 16.772 28.124 30.088 1.00 0.00 H new ATOM 0 HB2 ALA A 30 15.595 26.882 30.579 1.00 0.00 H new ATOM 0 HB3 ALA A 30 15.285 27.883 29.140 1.00 0.00 H new ATOM 435 N ALA A 31 14.217 30.690 29.519 1.00 0.00 N ATOM 436 CA ALA A 31 14.077 32.024 28.944 1.00 0.00 C ATOM 437 C ALA A 31 13.159 32.926 29.766 1.00 0.00 C ATOM 438 O ALA A 31 12.459 33.796 29.247 1.00 0.00 O ATOM 439 CB ALA A 31 13.605 31.985 27.474 1.00 0.00 C ATOM 0 H ALA A 31 13.539 30.029 29.141 1.00 0.00 H new ATOM 0 HA ALA A 31 15.078 32.454 28.968 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.517 33.002 27.093 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.329 31.434 26.874 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.635 31.491 27.416 1.00 0.00 H new ATOM 445 N LYS A 32 13.212 32.730 31.104 1.00 0.00 N ATOM 446 CA LYS A 32 12.744 33.626 32.128 1.00 0.00 C ATOM 447 C LYS A 32 13.895 33.661 33.094 1.00 0.00 C ATOM 448 O LYS A 32 14.612 34.651 33.114 1.00 0.00 O ATOM 449 CB LYS A 32 11.369 33.286 32.799 1.00 0.00 C ATOM 450 CG LYS A 32 10.201 33.364 31.798 1.00 0.00 C ATOM 451 CD LYS A 32 8.801 33.334 32.437 1.00 0.00 C ATOM 452 CE LYS A 32 7.646 33.660 31.463 1.00 0.00 C ATOM 453 NZ LYS A 32 7.710 35.076 30.980 1.00 0.00 N ATOM 0 H LYS A 32 13.613 31.879 31.498 1.00 0.00 H new ATOM 0 HA LYS A 32 12.490 34.596 31.701 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.413 32.285 33.227 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.187 33.977 33.622 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.300 34.280 31.216 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.284 32.532 31.099 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.631 32.346 32.864 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.776 34.046 33.262 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.687 32.983 30.610 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.691 33.488 31.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.850 35.298 30.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.782 35.718 31.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.543 35.197 30.369 1.00 0.00 H new ATOM 467 N GLU A 33 14.161 32.559 33.849 1.00 0.00 N ATOM 468 CA GLU A 33 15.101 32.517 34.974 1.00 0.00 C ATOM 469 C GLU A 33 16.589 32.705 34.678 1.00 0.00 C ATOM 470 O GLU A 33 17.356 33.136 35.534 1.00 0.00 O ATOM 471 CB GLU A 33 14.951 31.157 35.714 1.00 0.00 C ATOM 472 CG GLU A 33 13.642 31.075 36.515 1.00 0.00 C ATOM 473 CD GLU A 33 13.781 31.956 37.740 1.00 0.00 C ATOM 474 OE1 GLU A 33 14.671 31.613 38.561 1.00 0.00 O ATOM 475 OE2 GLU A 33 13.052 32.975 37.871 1.00 0.00 O ATOM 0 H GLU A 33 13.710 31.660 33.677 1.00 0.00 H new ATOM 0 HA GLU A 33 14.816 33.391 35.560 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.983 30.345 34.988 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.797 31.016 36.387 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.801 31.403 35.904 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.440 30.045 36.808 1.00 0.00 H new ATOM 482 N ALA A 34 17.054 32.310 33.461 1.00 0.00 N ATOM 483 CA ALA A 34 18.433 32.493 33.021 1.00 0.00 C ATOM 484 C ALA A 34 18.636 33.795 32.271 1.00 0.00 C ATOM 485 O ALA A 34 19.750 34.293 32.146 1.00 0.00 O ATOM 486 CB ALA A 34 18.952 31.319 32.154 1.00 0.00 C ATOM 0 H ALA A 34 16.464 31.854 32.765 1.00 0.00 H new ATOM 0 HA ALA A 34 19.015 32.523 33.942 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.983 31.513 31.858 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.908 30.394 32.730 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.331 31.222 31.264 1.00 0.00 H new ATOM 492 N VAL A 35 17.548 34.345 31.672 1.00 0.00 N ATOM 493 CA VAL A 35 17.626 35.400 30.659 1.00 0.00 C ATOM 494 C VAL A 35 17.315 36.733 31.305 1.00 0.00 C ATOM 495 O VAL A 35 17.716 37.790 30.827 1.00 0.00 O ATOM 496 CB VAL A 35 16.718 35.080 29.466 1.00 0.00 C ATOM 497 CG1 VAL A 35 16.601 36.220 28.417 1.00 0.00 C ATOM 498 CG2 VAL A 35 17.300 33.818 28.787 1.00 0.00 C ATOM 0 H VAL A 35 16.593 34.059 31.888 1.00 0.00 H new ATOM 0 HA VAL A 35 18.637 35.457 30.255 1.00 0.00 H new ATOM 0 HB VAL A 35 15.707 34.937 29.846 1.00 0.00 H new ATOM 0 HG11 VAL A 35 15.940 35.905 27.610 1.00 0.00 H new ATOM 0 HG12 VAL A 35 16.194 37.112 28.893 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.588 36.444 28.011 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.684 33.550 27.928 1.00 0.00 H new ATOM 0 HG22 VAL A 35 18.318 34.020 28.455 1.00 0.00 H new ATOM 0 HG23 VAL A 35 17.308 32.993 29.499 1.00 0.00 H new ATOM 508 N ASN A 36 16.590 36.716 32.435 1.00 0.00 N ATOM 509 CA ASN A 36 16.204 37.885 33.177 1.00 0.00 C ATOM 510 C ASN A 36 15.898 37.269 34.502 1.00 0.00 C ATOM 511 O ASN A 36 16.393 36.181 34.776 1.00 0.00 O ATOM 512 CB ASN A 36 15.043 38.745 32.555 1.00 0.00 C ATOM 513 CG ASN A 36 13.739 37.987 32.301 1.00 0.00 C ATOM 514 OD1 ASN A 36 12.765 38.235 33.005 1.00 0.00 O ATOM 515 ND2 ASN A 36 13.690 37.088 31.295 1.00 0.00 N ATOM 0 H ASN A 36 16.255 35.849 32.855 1.00 0.00 H new ATOM 0 HA ASN A 36 16.972 38.658 33.204 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.835 39.582 33.221 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.390 39.167 31.612 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.822 36.589 31.099 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.521 36.908 30.731 1.00 0.00 H new ATOM 522 N LEU A 37 15.063 37.929 35.320 1.00 0.00 N ATOM 523 CA LEU A 37 14.507 37.356 36.523 1.00 0.00 C ATOM 524 C LEU A 37 13.527 38.418 36.920 1.00 0.00 C ATOM 525 O LEU A 37 13.544 38.930 38.035 1.00 0.00 O ATOM 526 CB LEU A 37 15.565 37.053 37.649 1.00 0.00 C ATOM 527 CG LEU A 37 15.424 35.656 38.287 1.00 0.00 C ATOM 528 CD1 LEU A 37 16.748 35.218 38.941 1.00 0.00 C ATOM 529 CD2 LEU A 37 14.246 35.565 39.272 1.00 0.00 C ATOM 0 H LEU A 37 14.760 38.888 35.148 1.00 0.00 H new ATOM 0 HA LEU A 37 14.071 36.369 36.364 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.566 37.149 37.227 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.475 37.808 38.430 1.00 0.00 H new ATOM 0 HG LEU A 37 15.195 34.960 37.480 1.00 0.00 H new ATOM 0 HD11 LEU A 37 16.625 34.230 39.385 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.533 35.182 38.185 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.024 35.932 39.717 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.197 34.559 39.689 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.389 36.285 40.078 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.316 35.786 38.748 1.00 0.00 H new ATOM 541 N LYS A 38 12.678 38.862 35.962 1.00 0.00 N ATOM 542 CA LYS A 38 11.764 39.963 36.208 1.00 0.00 C ATOM 543 C LYS A 38 10.329 39.490 35.947 1.00 0.00 C ATOM 544 O LYS A 38 10.034 39.081 34.798 1.00 0.00 O ATOM 545 CB LYS A 38 12.025 41.187 35.303 1.00 0.00 C ATOM 546 CG LYS A 38 13.312 41.955 35.644 1.00 0.00 C ATOM 547 CD LYS A 38 13.620 43.180 34.757 1.00 0.00 C ATOM 548 CE LYS A 38 12.633 44.367 34.838 1.00 0.00 C ATOM 549 NZ LYS A 38 11.348 44.089 34.143 1.00 0.00 N ATOM 550 OXT LYS A 38 9.508 39.597 36.900 1.00 0.00 O ATOM 0 H LYS A 38 12.620 38.467 35.024 1.00 0.00 H new ATOM 0 HA LYS A 38 11.918 40.270 37.243 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.077 40.855 34.266 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.177 41.868 35.378 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.250 42.287 36.680 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.152 41.264 35.580 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.613 43.546 35.017 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.665 42.846 33.720 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.434 44.598 35.884 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.096 45.251 34.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.071 44.919 33.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.463 43.268 33.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.610 43.886 34.847 1.00 0.00 H new TER 564 LYS A 38