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+ 134:sc= 0.141 (180deg=0) 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+ -174:sc= 0 (180deg=-0.0337) USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= -0.0413 (180deg=-0.0441) USER MOD Single : A 8 GLN : amide:sc= -0.0248 K(o=-0.025,f=-1.8!) USER MOD Single : A 10 SER OG : rot -10:sc= 1.19 USER MOD Single : A 11 GLN : amide:sc=-0.00151 K(o=-0.0015,f=-1.2) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= 0.785 (180deg=0.102) USER MOD Single : A 22 ASN : amide:sc= 0.754 K(o=0.75,f=-2.8!) USER MOD Single : A 24 SER OG : rot 40:sc= 0.312 USER MOD Single : A 25 LYS NZ :NH3+ 133:sc= 0.994 (180deg=0.307!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.19! C(o=-1.2!,f=-3.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.280 9.314 18.198 1.00 0.00 N ATOM 2 CA GLU A 1 11.308 8.696 17.261 1.00 0.00 C ATOM 3 C GLU A 1 10.910 9.789 16.320 1.00 0.00 C ATOM 4 O GLU A 1 10.818 10.944 16.733 1.00 0.00 O ATOM 5 CB GLU A 1 10.101 8.069 18.033 1.00 0.00 C ATOM 6 CG GLU A 1 8.995 7.432 17.157 1.00 0.00 C ATOM 7 CD GLU A 1 9.645 6.471 16.165 1.00 0.00 C ATOM 8 OE1 GLU A 1 9.925 5.317 16.573 1.00 0.00 O ATOM 9 OE2 GLU A 1 9.960 6.907 15.020 1.00 0.00 O ATOM 0 H1 GLU A 1 12.043 9.042 19.173 1.00 0.00 H new ATOM 0 H2 GLU A 1 13.240 8.984 17.970 1.00 0.00 H new ATOM 0 H3 GLU A 1 12.239 10.349 18.108 1.00 0.00 H new ATOM 0 HA GLU A 1 11.737 7.861 16.706 1.00 0.00 H new ATOM 0 HB2 GLU A 1 10.485 7.306 18.711 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.647 8.844 18.650 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.278 6.901 17.782 1.00 0.00 H new ATOM 0 HG3 GLU A 1 8.442 8.206 16.625 1.00 0.00 H new ATOM 18 N ALA A 2 10.725 9.416 15.020 1.00 0.00 N ATOM 19 CA ALA A 2 10.454 10.240 13.863 1.00 0.00 C ATOM 20 C ALA A 2 11.678 11.013 13.369 1.00 0.00 C ATOM 21 O ALA A 2 12.628 11.265 14.113 1.00 0.00 O ATOM 22 CB ALA A 2 9.176 11.104 14.011 1.00 0.00 C ATOM 0 H ALA A 2 10.772 8.431 14.760 1.00 0.00 H new ATOM 0 HA ALA A 2 10.224 9.545 13.056 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.032 11.698 13.108 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.313 10.455 14.160 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.283 11.768 14.869 1.00 0.00 H new ATOM 28 N TYR A 3 11.692 11.377 12.066 1.00 0.00 N ATOM 29 CA TYR A 3 12.783 12.122 11.459 1.00 0.00 C ATOM 30 C TYR A 3 12.269 12.877 10.259 1.00 0.00 C ATOM 31 O TYR A 3 12.433 14.087 10.174 1.00 0.00 O ATOM 32 CB TYR A 3 14.102 11.320 11.135 1.00 0.00 C ATOM 33 CG TYR A 3 13.937 10.006 10.403 1.00 0.00 C ATOM 34 CD1 TYR A 3 13.796 8.801 11.115 1.00 0.00 C ATOM 35 CD2 TYR A 3 14.029 9.946 9.001 1.00 0.00 C ATOM 36 CE1 TYR A 3 13.761 7.563 10.453 1.00 0.00 C ATOM 37 CE2 TYR A 3 13.976 8.717 8.327 1.00 0.00 C ATOM 38 CZ TYR A 3 13.855 7.522 9.051 1.00 0.00 C ATOM 39 OH TYR A 3 13.861 6.284 8.365 1.00 0.00 O ATOM 0 H TYR A 3 10.937 11.154 11.417 1.00 0.00 H new ATOM 0 HA TYR A 3 13.121 12.812 12.233 1.00 0.00 H new ATOM 0 HB2 TYR A 3 14.752 11.961 10.540 1.00 0.00 H new ATOM 0 HB3 TYR A 3 14.620 11.124 12.074 1.00 0.00 H new ATOM 0 HD1 TYR A 3 13.713 8.828 12.191 1.00 0.00 H new ATOM 0 HD2 TYR A 3 14.142 10.859 8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.662 6.648 11.018 1.00 0.00 H new ATOM 0 HE2 TYR A 3 14.028 8.691 7.249 1.00 0.00 H new ATOM 0 HH TYR A 3 13.931 6.445 7.401 1.00 0.00 H new ATOM 49 N LYS A 4 11.644 12.193 9.276 1.00 0.00 N ATOM 50 CA LYS A 4 11.216 12.820 8.042 1.00 0.00 C ATOM 51 C LYS A 4 10.079 11.947 7.599 1.00 0.00 C ATOM 52 O LYS A 4 10.291 10.824 7.147 1.00 0.00 O ATOM 53 CB LYS A 4 12.372 12.887 6.991 1.00 0.00 C ATOM 54 CG LYS A 4 12.303 14.039 5.973 1.00 0.00 C ATOM 55 CD LYS A 4 11.398 13.824 4.757 1.00 0.00 C ATOM 56 CE LYS A 4 11.582 14.955 3.730 1.00 0.00 C ATOM 57 NZ LYS A 4 10.775 14.719 2.508 1.00 0.00 N ATOM 0 H LYS A 4 11.431 11.197 9.331 1.00 0.00 H new ATOM 0 HA LYS A 4 10.919 13.861 8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.318 12.961 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.390 11.946 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.966 14.935 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.313 14.239 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.627 12.865 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.357 13.783 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.294 15.906 4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.635 15.036 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.923 15.500 1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.067 13.824 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.768 14.667 2.762 1.00 0.00 H new ATOM 71 N LYS A 5 8.826 12.411 7.778 1.00 0.00 N ATOM 72 CA LYS A 5 7.643 11.608 7.625 1.00 0.00 C ATOM 73 C LYS A 5 6.682 12.633 7.121 1.00 0.00 C ATOM 74 O LYS A 5 6.896 13.823 7.367 1.00 0.00 O ATOM 75 CB LYS A 5 7.176 11.029 9.000 1.00 0.00 C ATOM 76 CG LYS A 5 6.797 9.539 9.034 1.00 0.00 C ATOM 77 CD LYS A 5 5.470 9.138 8.349 1.00 0.00 C ATOM 78 CE LYS A 5 4.918 7.762 8.787 1.00 0.00 C ATOM 79 NZ LYS A 5 5.955 6.700 8.705 1.00 0.00 N ATOM 0 H LYS A 5 8.627 13.377 8.038 1.00 0.00 H new ATOM 0 HA LYS A 5 7.762 10.738 6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.973 11.193 9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.315 11.606 9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.604 8.973 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.749 9.225 10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.721 9.901 8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.620 9.129 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.546 7.828 9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.071 7.493 8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.523 5.776 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.365 6.688 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.704 6.892 9.400 1.00 0.00 H new ATOM 93 N ALA A 6 5.601 12.195 6.431 1.00 0.00 N ATOM 94 CA ALA A 6 4.508 13.023 5.952 1.00 0.00 C ATOM 95 C ALA A 6 3.412 13.099 6.992 1.00 0.00 C ATOM 96 O ALA A 6 3.175 12.158 7.750 1.00 0.00 O ATOM 97 CB ALA A 6 3.896 12.496 4.627 1.00 0.00 C ATOM 0 H ALA A 6 5.478 11.211 6.192 1.00 0.00 H new ATOM 0 HA ALA A 6 4.929 14.011 5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.084 13.152 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.664 12.476 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.510 11.488 4.780 1.00 0.00 H new ATOM 103 N LYS A 7 2.701 14.250 7.022 1.00 0.00 N ATOM 104 CA LYS A 7 1.758 14.642 8.048 1.00 0.00 C ATOM 105 C LYS A 7 0.346 14.270 7.636 1.00 0.00 C ATOM 106 O LYS A 7 -0.408 15.105 7.126 1.00 0.00 O ATOM 107 CB LYS A 7 1.866 16.165 8.281 1.00 0.00 C ATOM 108 CG LYS A 7 1.106 16.702 9.504 1.00 0.00 C ATOM 109 CD LYS A 7 1.018 18.233 9.519 1.00 0.00 C ATOM 110 CE LYS A 7 -0.273 18.810 8.902 1.00 0.00 C ATOM 111 NZ LYS A 7 -0.476 18.403 7.479 1.00 0.00 N ATOM 0 H LYS A 7 2.787 14.952 6.287 1.00 0.00 H new ATOM 0 HA LYS A 7 1.992 14.117 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.919 16.425 8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.498 16.678 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.099 16.284 9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.601 16.361 10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.098 18.578 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.875 18.638 8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.129 18.483 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.242 19.898 8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.349 18.835 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.332 18.723 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.552 17.367 7.422 1.00 0.00 H new ATOM 125 N GLN A 8 -0.005 12.974 7.842 1.00 0.00 N ATOM 126 CA GLN A 8 -1.231 12.364 7.376 1.00 0.00 C ATOM 127 C GLN A 8 -1.826 11.467 8.436 1.00 0.00 C ATOM 128 O GLN A 8 -3.012 11.170 8.365 1.00 0.00 O ATOM 129 CB GLN A 8 -1.019 11.536 6.068 1.00 0.00 C ATOM 130 CG GLN A 8 -2.317 11.182 5.274 1.00 0.00 C ATOM 131 CD GLN A 8 -2.029 10.168 4.155 1.00 0.00 C ATOM 132 OE1 GLN A 8 -0.951 9.583 4.131 1.00 0.00 O ATOM 133 NE2 GLN A 8 -2.992 9.921 3.230 1.00 0.00 N ATOM 0 H GLN A 8 0.591 12.324 8.355 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.918 13.182 7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.353 12.094 5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.508 10.608 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.062 10.772 5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.742 12.089 4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.880 10.421 3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.827 9.235 2.493 1.00 0.00 H new ATOM 142 N ALA A 9 -1.050 10.975 9.451 1.00 0.00 N ATOM 143 CA ALA A 9 -1.560 9.967 10.371 1.00 0.00 C ATOM 144 C ALA A 9 -2.054 10.604 11.646 1.00 0.00 C ATOM 145 O ALA A 9 -3.237 10.551 11.956 1.00 0.00 O ATOM 146 CB ALA A 9 -0.525 8.860 10.715 1.00 0.00 C ATOM 0 H ALA A 9 -0.090 11.268 9.632 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.386 9.485 9.849 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.973 8.144 11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.225 8.346 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.351 9.313 11.181 1.00 0.00 H new ATOM 152 N SER A 10 -1.168 11.176 12.481 1.00 0.00 N ATOM 153 CA SER A 10 -1.586 11.711 13.757 1.00 0.00 C ATOM 154 C SER A 10 -0.461 12.612 14.176 1.00 0.00 C ATOM 155 O SER A 10 0.098 13.341 13.356 1.00 0.00 O ATOM 156 CB SER A 10 -1.898 10.620 14.846 1.00 0.00 C ATOM 157 OG SER A 10 -2.962 9.762 14.449 1.00 0.00 O ATOM 0 H SER A 10 -0.172 11.272 12.284 1.00 0.00 H new ATOM 0 HA SER A 10 -2.536 12.235 13.657 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.003 10.026 15.032 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.157 11.109 15.785 1.00 0.00 H new ATOM 0 HG SER A 10 -3.393 10.125 13.647 1.00 0.00 H new ATOM 163 N GLN A 11 -0.061 12.548 15.483 1.00 0.00 N ATOM 164 CA GLN A 11 0.908 13.458 16.079 1.00 0.00 C ATOM 165 C GLN A 11 2.325 12.941 15.917 1.00 0.00 C ATOM 166 O GLN A 11 3.295 13.689 15.998 1.00 0.00 O ATOM 167 CB GLN A 11 0.567 13.865 17.532 1.00 0.00 C ATOM 168 CG GLN A 11 0.548 12.726 18.559 1.00 0.00 C ATOM 169 CD GLN A 11 0.199 13.333 19.916 1.00 0.00 C ATOM 170 OE1 GLN A 11 -0.263 14.464 20.057 1.00 0.00 O ATOM 171 NE2 GLN A 11 0.417 12.541 20.991 1.00 0.00 N ATOM 0 H GLN A 11 -0.418 11.851 16.137 1.00 0.00 H new ATOM 0 HA GLN A 11 0.844 14.390 15.517 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.291 14.611 17.859 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.411 14.347 17.534 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.185 11.970 18.278 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.518 12.231 18.599 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.800 11.604 20.865 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.198 12.881 21.927 1.00 0.00 H new ATOM 180 N ASP A 12 2.420 11.643 15.526 1.00 0.00 N ATOM 181 CA ASP A 12 3.586 10.841 15.130 1.00 0.00 C ATOM 182 C ASP A 12 3.947 11.098 13.682 1.00 0.00 C ATOM 183 O ASP A 12 4.941 10.610 13.150 1.00 0.00 O ATOM 184 CB ASP A 12 3.239 9.308 15.273 1.00 0.00 C ATOM 185 CG ASP A 12 4.044 8.660 16.396 1.00 0.00 C ATOM 186 OD1 ASP A 12 4.313 9.355 17.408 1.00 0.00 O ATOM 187 OD2 ASP A 12 4.397 7.460 16.249 1.00 0.00 O ATOM 0 H ASP A 12 1.574 11.075 15.479 1.00 0.00 H new ATOM 0 HA ASP A 12 4.422 11.117 15.773 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.174 9.191 15.472 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.446 8.797 14.333 1.00 0.00 H new ATOM 192 N ALA A 13 3.094 11.912 13.025 1.00 0.00 N ATOM 193 CA ALA A 13 3.223 12.386 11.675 1.00 0.00 C ATOM 194 C ALA A 13 3.471 13.874 11.731 1.00 0.00 C ATOM 195 O ALA A 13 3.891 14.476 10.748 1.00 0.00 O ATOM 196 CB ALA A 13 1.923 12.101 10.895 1.00 0.00 C ATOM 0 H ALA A 13 2.249 12.266 13.473 1.00 0.00 H new ATOM 0 HA ALA A 13 4.046 11.881 11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.026 12.462 9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.734 11.028 10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.090 12.611 11.378 1.00 0.00 H new ATOM 202 N GLU A 14 3.221 14.490 12.923 1.00 0.00 N ATOM 203 CA GLU A 14 3.419 15.887 13.283 1.00 0.00 C ATOM 204 C GLU A 14 4.821 16.022 13.850 1.00 0.00 C ATOM 205 O GLU A 14 5.569 16.907 13.464 1.00 0.00 O ATOM 206 CB GLU A 14 2.318 16.383 14.280 1.00 0.00 C ATOM 207 CG GLU A 14 1.468 17.612 13.889 1.00 0.00 C ATOM 208 CD GLU A 14 2.231 18.927 13.862 1.00 0.00 C ATOM 209 OE1 GLU A 14 2.354 19.595 14.936 1.00 0.00 O ATOM 210 OE2 GLU A 14 2.636 19.299 12.725 1.00 0.00 O ATOM 0 H GLU A 14 2.845 13.959 13.708 1.00 0.00 H new ATOM 0 HA GLU A 14 3.322 16.525 12.404 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.636 15.552 14.460 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.806 16.606 15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.034 17.439 12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.639 17.702 14.591 1.00 0.00 H new ATOM 217 N GLN A 15 5.267 15.080 14.735 1.00 0.00 N ATOM 218 CA GLN A 15 6.557 15.001 15.432 1.00 0.00 C ATOM 219 C GLN A 15 7.790 14.855 14.551 1.00 0.00 C ATOM 220 O GLN A 15 8.916 15.053 14.987 1.00 0.00 O ATOM 221 CB GLN A 15 6.526 13.904 16.543 1.00 0.00 C ATOM 222 CG GLN A 15 7.655 13.987 17.603 1.00 0.00 C ATOM 223 CD GLN A 15 7.083 13.698 18.982 1.00 0.00 C ATOM 224 OE1 GLN A 15 7.115 12.581 19.492 1.00 0.00 O ATOM 225 NE2 GLN A 15 6.568 14.787 19.606 1.00 0.00 N ATOM 0 H GLN A 15 4.668 14.295 14.990 1.00 0.00 H new ATOM 0 HA GLN A 15 6.674 15.986 15.884 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.566 13.960 17.056 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.574 12.926 16.064 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.442 13.271 17.367 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.110 14.977 17.587 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.567 15.692 19.135 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.182 14.701 20.546 1.00 0.00 H new ATOM 234 N ALA A 16 7.611 14.591 13.237 1.00 0.00 N ATOM 235 CA ALA A 16 8.690 14.732 12.263 1.00 0.00 C ATOM 236 C ALA A 16 8.860 16.140 11.705 1.00 0.00 C ATOM 237 O ALA A 16 9.902 16.464 11.139 1.00 0.00 O ATOM 238 CB ALA A 16 8.502 13.766 11.071 1.00 0.00 C ATOM 0 H ALA A 16 6.726 14.280 12.838 1.00 0.00 H new ATOM 0 HA ALA A 16 9.590 14.489 12.828 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.322 13.896 10.364 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.495 12.738 11.433 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.556 13.982 10.574 1.00 0.00 H new ATOM 244 N ALA A 17 7.818 17.012 11.815 1.00 0.00 N ATOM 245 CA ALA A 17 7.892 18.457 11.619 1.00 0.00 C ATOM 246 C ALA A 17 8.163 19.193 12.923 1.00 0.00 C ATOM 247 O ALA A 17 8.863 20.202 12.964 1.00 0.00 O ATOM 248 CB ALA A 17 6.610 19.031 10.947 1.00 0.00 C ATOM 0 H ALA A 17 6.877 16.699 12.052 1.00 0.00 H new ATOM 0 HA ALA A 17 8.732 18.623 10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.715 20.109 10.824 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.471 18.566 9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.745 18.821 11.575 1.00 0.00 H new ATOM 254 N LYS A 18 7.514 18.686 14.023 1.00 0.00 N ATOM 255 CA LYS A 18 7.216 19.351 15.284 1.00 0.00 C ATOM 256 C LYS A 18 8.347 19.229 16.275 1.00 0.00 C ATOM 257 O LYS A 18 8.404 19.955 17.261 1.00 0.00 O ATOM 258 CB LYS A 18 5.909 18.816 15.959 1.00 0.00 C ATOM 259 CG LYS A 18 5.257 19.706 17.022 1.00 0.00 C ATOM 260 CD LYS A 18 4.128 18.966 17.744 1.00 0.00 C ATOM 261 CE LYS A 18 3.183 19.868 18.563 1.00 0.00 C ATOM 262 NZ LYS A 18 1.923 20.135 17.802 1.00 0.00 N ATOM 0 H LYS A 18 7.170 17.726 14.023 1.00 0.00 H new ATOM 0 HA LYS A 18 7.074 20.399 15.019 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.174 18.632 15.175 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.135 17.853 16.417 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.008 20.024 17.745 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.863 20.608 16.554 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.539 18.422 17.006 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.567 18.224 18.411 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.946 19.389 19.513 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.681 20.809 18.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.649 21.131 17.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.079 19.938 16.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.164 19.521 18.161 1.00 0.00 H new ATOM 276 N ASP A 19 9.383 18.393 15.975 1.00 0.00 N ATOM 277 CA ASP A 19 10.594 18.239 16.790 1.00 0.00 C ATOM 278 C ASP A 19 11.626 19.301 16.468 1.00 0.00 C ATOM 279 O ASP A 19 12.784 19.234 16.879 1.00 0.00 O ATOM 280 CB ASP A 19 11.224 16.801 16.699 1.00 0.00 C ATOM 281 CG ASP A 19 11.297 16.174 18.089 1.00 0.00 C ATOM 282 OD1 ASP A 19 10.221 16.132 18.750 1.00 0.00 O ATOM 283 OD2 ASP A 19 12.393 15.729 18.518 1.00 0.00 O ATOM 0 H ASP A 19 9.386 17.803 15.143 1.00 0.00 H new ATOM 0 HA ASP A 19 10.273 18.375 17.823 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.625 16.174 16.039 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.222 16.859 16.264 1.00 0.00 H new ATOM 288 N ALA A 20 11.176 20.350 15.746 1.00 0.00 N ATOM 289 CA ALA A 20 11.806 21.619 15.476 1.00 0.00 C ATOM 290 C ALA A 20 11.444 22.660 16.524 1.00 0.00 C ATOM 291 O ALA A 20 12.309 23.399 16.993 1.00 0.00 O ATOM 292 CB ALA A 20 11.382 22.126 14.077 1.00 0.00 C ATOM 0 H ALA A 20 10.261 20.302 15.298 1.00 0.00 H new ATOM 0 HA ALA A 20 12.885 21.469 15.508 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.860 23.085 13.877 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.687 21.403 13.320 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.299 22.247 14.047 1.00 0.00 H new ATOM 298 N GLU A 21 10.113 22.731 16.886 1.00 0.00 N ATOM 299 CA GLU A 21 9.519 23.737 17.774 1.00 0.00 C ATOM 300 C GLU A 21 9.532 23.285 19.213 1.00 0.00 C ATOM 301 O GLU A 21 9.400 24.099 20.126 1.00 0.00 O ATOM 302 CB GLU A 21 8.082 24.228 17.384 1.00 0.00 C ATOM 303 CG GLU A 21 6.898 23.227 17.358 1.00 0.00 C ATOM 304 CD GLU A 21 5.728 23.576 18.315 1.00 0.00 C ATOM 305 OE1 GLU A 21 5.184 24.712 18.296 1.00 0.00 O ATOM 306 OE2 GLU A 21 5.329 22.633 19.047 1.00 0.00 O ATOM 0 H GLU A 21 9.426 22.059 16.544 1.00 0.00 H new ATOM 0 HA GLU A 21 10.168 24.603 17.645 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.815 25.028 18.075 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.151 24.674 16.392 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.511 23.170 16.340 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.273 22.236 17.612 1.00 0.00 H new ATOM 313 N ASN A 22 9.813 21.961 19.437 1.00 0.00 N ATOM 314 CA ASN A 22 9.901 21.256 20.725 1.00 0.00 C ATOM 315 C ASN A 22 11.016 21.806 21.610 1.00 0.00 C ATOM 316 O ASN A 22 10.908 21.824 22.831 1.00 0.00 O ATOM 317 CB ASN A 22 10.069 19.699 20.520 1.00 0.00 C ATOM 318 CG ASN A 22 8.706 18.961 20.520 1.00 0.00 C ATOM 319 OD1 ASN A 22 7.664 19.563 20.772 1.00 0.00 O ATOM 320 ND2 ASN A 22 8.693 17.621 20.269 1.00 0.00 N ATOM 0 H ASN A 22 9.994 21.330 18.656 1.00 0.00 H new ATOM 0 HA ASN A 22 8.958 21.433 21.241 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.583 19.511 19.577 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.699 19.295 21.312 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.812 17.107 20.289 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.564 17.133 20.061 1.00 0.00 H new ATOM 327 N ALA A 23 12.045 22.408 20.950 1.00 0.00 N ATOM 328 CA ALA A 23 13.187 23.124 21.511 1.00 0.00 C ATOM 329 C ALA A 23 12.837 24.459 22.169 1.00 0.00 C ATOM 330 O ALA A 23 13.459 24.869 23.146 1.00 0.00 O ATOM 331 CB ALA A 23 14.261 23.389 20.429 1.00 0.00 C ATOM 0 H ALA A 23 12.084 22.394 19.931 1.00 0.00 H new ATOM 0 HA ALA A 23 13.565 22.463 22.291 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.101 23.924 20.873 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.609 22.440 20.022 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.830 23.991 19.629 1.00 0.00 H new ATOM 337 N SER A 24 11.798 25.166 21.664 1.00 0.00 N ATOM 338 CA SER A 24 11.202 26.356 22.261 1.00 0.00 C ATOM 339 C SER A 24 10.059 26.040 23.194 1.00 0.00 C ATOM 340 O SER A 24 9.685 26.862 24.019 1.00 0.00 O ATOM 341 CB SER A 24 10.816 27.457 21.223 1.00 0.00 C ATOM 342 OG SER A 24 10.535 26.893 19.943 1.00 0.00 O ATOM 0 H SER A 24 11.342 24.900 20.791 1.00 0.00 H new ATOM 0 HA SER A 24 11.998 26.784 22.870 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.944 28.005 21.580 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.630 28.176 21.134 1.00 0.00 H new ATOM 0 HG SER A 24 10.028 26.062 20.056 1.00 0.00 H new ATOM 348 N LYS A 25 9.497 24.814 23.117 1.00 0.00 N ATOM 349 CA LYS A 25 8.418 24.353 23.983 1.00 0.00 C ATOM 350 C LYS A 25 8.921 23.664 25.257 1.00 0.00 C ATOM 351 O LYS A 25 8.171 23.514 26.221 1.00 0.00 O ATOM 352 CB LYS A 25 7.456 23.405 23.231 1.00 0.00 C ATOM 353 CG LYS A 25 6.678 23.978 22.023 1.00 0.00 C ATOM 354 CD LYS A 25 5.846 25.247 22.249 1.00 0.00 C ATOM 355 CE LYS A 25 4.646 25.074 23.192 1.00 0.00 C ATOM 356 NZ LYS A 25 3.922 26.355 23.395 1.00 0.00 N ATOM 0 H LYS A 25 9.793 24.114 22.437 1.00 0.00 H new ATOM 0 HA LYS A 25 7.881 25.253 24.284 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.034 22.549 22.882 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.729 23.027 23.949 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.396 24.184 21.229 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.010 23.200 21.654 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.497 26.024 22.651 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.483 25.603 21.285 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.963 24.331 22.781 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.990 24.693 24.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.900 26.197 23.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.117 26.716 24.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.242 27.050 22.691 1.00 0.00 H new ATOM 370 N GLU A 26 10.235 23.285 25.314 1.00 0.00 N ATOM 371 CA GLU A 26 10.954 22.858 26.520 1.00 0.00 C ATOM 372 C GLU A 26 11.485 24.062 27.256 1.00 0.00 C ATOM 373 O GLU A 26 11.615 24.075 28.477 1.00 0.00 O ATOM 374 CB GLU A 26 12.169 21.908 26.250 1.00 0.00 C ATOM 375 CG GLU A 26 13.227 22.452 25.261 1.00 0.00 C ATOM 376 CD GLU A 26 14.450 21.566 25.169 1.00 0.00 C ATOM 377 OE1 GLU A 26 14.322 20.464 24.580 1.00 0.00 O ATOM 378 OE2 GLU A 26 15.534 21.984 25.656 1.00 0.00 O ATOM 0 H GLU A 26 10.827 23.274 24.484 1.00 0.00 H new ATOM 0 HA GLU A 26 10.219 22.302 27.103 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.660 21.694 27.200 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.790 20.961 25.866 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.778 22.549 24.272 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.530 23.451 25.573 1.00 0.00 H new ATOM 385 N ALA A 27 11.758 25.154 26.490 1.00 0.00 N ATOM 386 CA ALA A 27 12.264 26.442 26.935 1.00 0.00 C ATOM 387 C ALA A 27 11.148 27.319 27.468 1.00 0.00 C ATOM 388 O ALA A 27 11.366 28.447 27.889 1.00 0.00 O ATOM 389 CB ALA A 27 12.958 27.192 25.776 1.00 0.00 C ATOM 0 H ALA A 27 11.614 25.135 25.480 1.00 0.00 H new ATOM 0 HA ALA A 27 12.981 26.241 27.731 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.328 28.153 26.134 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.793 26.597 25.406 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.243 27.356 24.969 1.00 0.00 H new ATOM 395 N GLU A 28 9.921 26.745 27.484 1.00 0.00 N ATOM 396 CA GLU A 28 8.665 27.288 27.979 1.00 0.00 C ATOM 397 C GLU A 28 8.598 27.227 29.496 1.00 0.00 C ATOM 398 O GLU A 28 8.422 28.236 30.170 1.00 0.00 O ATOM 399 CB GLU A 28 7.481 26.461 27.405 1.00 0.00 C ATOM 400 CG GLU A 28 6.081 27.089 27.546 1.00 0.00 C ATOM 401 CD GLU A 28 5.772 27.824 26.256 1.00 0.00 C ATOM 402 OE1 GLU A 28 6.420 28.855 25.954 1.00 0.00 O ATOM 403 OE2 GLU A 28 4.928 27.296 25.493 1.00 0.00 O ATOM 0 H GLU A 28 9.790 25.804 27.113 1.00 0.00 H new ATOM 0 HA GLU A 28 8.602 28.329 27.661 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.670 26.280 26.347 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.472 25.489 27.898 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.334 26.318 27.735 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.053 27.775 28.393 1.00 0.00 H new ATOM 410 N GLU A 29 8.797 25.994 30.043 1.00 0.00 N ATOM 411 CA GLU A 29 8.832 25.697 31.465 1.00 0.00 C ATOM 412 C GLU A 29 10.231 25.819 32.013 1.00 0.00 C ATOM 413 O GLU A 29 10.401 26.093 33.197 1.00 0.00 O ATOM 414 CB GLU A 29 8.240 24.293 31.835 1.00 0.00 C ATOM 415 CG GLU A 29 6.786 24.356 32.345 1.00 0.00 C ATOM 416 CD GLU A 29 6.681 25.210 33.608 1.00 0.00 C ATOM 417 OE1 GLU A 29 7.047 24.755 34.729 1.00 0.00 O ATOM 418 OE2 GLU A 29 6.206 26.363 33.441 1.00 0.00 O ATOM 0 H GLU A 29 8.940 25.165 29.467 1.00 0.00 H new ATOM 0 HA GLU A 29 8.188 26.444 31.929 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.282 23.647 30.958 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.866 23.833 32.600 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.143 24.770 31.568 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.427 23.348 32.553 1.00 0.00 H new ATOM 425 N ALA A 30 11.305 25.670 31.188 1.00 0.00 N ATOM 426 CA ALA A 30 12.678 25.725 31.684 1.00 0.00 C ATOM 427 C ALA A 30 13.226 27.145 31.845 1.00 0.00 C ATOM 428 O ALA A 30 14.116 27.407 32.646 1.00 0.00 O ATOM 429 CB ALA A 30 13.613 24.878 30.798 1.00 0.00 C ATOM 0 H ALA A 30 11.229 25.512 30.183 1.00 0.00 H new ATOM 0 HA ALA A 30 12.647 25.302 32.688 1.00 0.00 H new ATOM 0 HB1 ALA A 30 14.630 24.933 31.186 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.278 23.841 30.804 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.592 25.260 29.777 1.00 0.00 H new ATOM 435 N ALA A 31 12.678 28.126 31.086 1.00 0.00 N ATOM 436 CA ALA A 31 12.938 29.552 31.275 1.00 0.00 C ATOM 437 C ALA A 31 11.947 30.229 32.215 1.00 0.00 C ATOM 438 O ALA A 31 12.074 31.433 32.428 1.00 0.00 O ATOM 439 CB ALA A 31 12.945 30.321 29.930 1.00 0.00 C ATOM 0 H ALA A 31 12.036 27.933 30.318 1.00 0.00 H new ATOM 0 HA ALA A 31 13.927 29.594 31.732 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.142 31.377 30.116 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.723 29.915 29.283 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.975 30.213 29.444 1.00 0.00 H new ATOM 445 N LYS A 32 10.955 29.501 32.827 1.00 0.00 N ATOM 446 CA LYS A 32 9.759 30.057 33.495 1.00 0.00 C ATOM 447 C LYS A 32 10.013 30.804 34.792 1.00 0.00 C ATOM 448 O LYS A 32 9.526 31.921 34.969 1.00 0.00 O ATOM 449 CB LYS A 32 8.653 28.979 33.750 1.00 0.00 C ATOM 450 CG LYS A 32 7.327 29.424 34.441 1.00 0.00 C ATOM 451 CD LYS A 32 7.192 29.088 35.944 1.00 0.00 C ATOM 452 CE LYS A 32 6.958 27.584 36.162 1.00 0.00 C ATOM 453 NZ LYS A 32 6.805 27.176 37.573 1.00 0.00 N ATOM 0 H LYS A 32 10.981 28.482 32.862 1.00 0.00 H new ATOM 0 HA LYS A 32 9.413 30.792 32.769 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.394 28.536 32.788 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.094 28.188 34.357 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.224 30.502 34.321 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.494 28.963 33.911 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.095 29.398 36.470 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.364 29.653 36.372 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.064 27.287 35.614 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.794 27.035 35.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.652 26.149 37.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.666 27.424 38.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.989 27.668 37.990 1.00 0.00 H new ATOM 467 N GLU A 33 10.798 30.195 35.732 1.00 0.00 N ATOM 468 CA GLU A 33 11.240 30.809 36.990 1.00 0.00 C ATOM 469 C GLU A 33 12.570 31.502 36.786 1.00 0.00 C ATOM 470 O GLU A 33 13.034 32.298 37.594 1.00 0.00 O ATOM 471 CB GLU A 33 11.466 29.783 38.151 1.00 0.00 C ATOM 472 CG GLU A 33 12.486 28.627 37.898 1.00 0.00 C ATOM 473 CD GLU A 33 13.304 28.344 39.165 1.00 0.00 C ATOM 474 OE1 GLU A 33 12.703 28.360 40.273 1.00 0.00 O ATOM 475 OE2 GLU A 33 14.534 28.096 39.032 1.00 0.00 O ATOM 0 H GLU A 33 11.140 29.241 35.617 1.00 0.00 H new ATOM 0 HA GLU A 33 10.438 31.493 37.268 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.795 30.336 39.031 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.503 29.335 38.398 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.955 27.726 37.593 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.154 28.896 37.080 1.00 0.00 H new ATOM 482 N ALA A 34 13.220 31.123 35.657 1.00 0.00 N ATOM 483 CA ALA A 34 14.616 31.323 35.351 1.00 0.00 C ATOM 484 C ALA A 34 14.839 32.630 34.637 1.00 0.00 C ATOM 485 O ALA A 34 15.768 33.353 34.968 1.00 0.00 O ATOM 486 CB ALA A 34 15.196 30.143 34.537 1.00 0.00 C ATOM 0 H ALA A 34 12.731 30.641 34.903 1.00 0.00 H new ATOM 0 HA ALA A 34 15.151 31.364 36.300 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.249 30.330 34.326 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.099 29.222 35.112 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.650 30.045 33.599 1.00 0.00 H new ATOM 492 N VAL A 35 14.012 32.969 33.603 1.00 0.00 N ATOM 493 CA VAL A 35 13.957 34.233 32.857 1.00 0.00 C ATOM 494 C VAL A 35 15.218 34.499 32.001 1.00 0.00 C ATOM 495 O VAL A 35 15.529 35.615 31.592 1.00 0.00 O ATOM 496 CB VAL A 35 13.494 35.424 33.730 1.00 0.00 C ATOM 497 CG1 VAL A 35 12.988 36.627 32.891 1.00 0.00 C ATOM 498 CG2 VAL A 35 12.328 34.969 34.648 1.00 0.00 C ATOM 0 H VAL A 35 13.320 32.305 33.255 1.00 0.00 H new ATOM 0 HA VAL A 35 13.166 34.117 32.116 1.00 0.00 H new ATOM 0 HB VAL A 35 14.363 35.745 34.304 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.677 37.431 33.558 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.790 36.982 32.244 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.141 36.314 32.281 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.001 35.807 35.263 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.496 34.623 34.035 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.667 34.157 35.291 1.00 0.00 H new ATOM 508 N ASN A 36 16.006 33.430 31.727 1.00 0.00 N ATOM 509 CA ASN A 36 17.300 33.556 31.096 1.00 0.00 C ATOM 510 C ASN A 36 17.652 32.207 30.521 1.00 0.00 C ATOM 511 O ASN A 36 17.733 32.031 29.308 1.00 0.00 O ATOM 512 CB ASN A 36 18.427 34.190 32.004 1.00 0.00 C ATOM 513 CG ASN A 36 19.030 33.299 33.101 1.00 0.00 C ATOM 514 OD1 ASN A 36 20.220 33.028 33.030 1.00 0.00 O ATOM 515 ND2 ASN A 36 18.246 32.742 34.055 1.00 0.00 N ATOM 0 H ASN A 36 15.744 32.469 31.945 1.00 0.00 H new ATOM 0 HA ASN A 36 17.235 34.293 30.296 1.00 0.00 H new ATOM 0 HB2 ASN A 36 19.237 34.521 31.355 1.00 0.00 H new ATOM 0 HB3 ASN A 36 18.016 35.080 32.480 1.00 0.00 H new ATOM 0 HD21 ASN A 36 18.647 32.087 34.726 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.255 32.978 34.102 1.00 0.00 H new ATOM 522 N LEU A 37 17.925 31.238 31.439 1.00 0.00 N ATOM 523 CA LEU A 37 18.351 29.870 31.238 1.00 0.00 C ATOM 524 C LEU A 37 19.797 29.760 30.734 1.00 0.00 C ATOM 525 O LEU A 37 20.089 28.940 29.867 1.00 0.00 O ATOM 526 CB LEU A 37 17.328 29.047 30.387 1.00 0.00 C ATOM 527 CG LEU A 37 17.017 27.596 30.834 1.00 0.00 C ATOM 528 CD1 LEU A 37 16.225 26.894 29.720 1.00 0.00 C ATOM 529 CD2 LEU A 37 18.223 26.741 31.271 1.00 0.00 C ATOM 0 H LEU A 37 17.835 31.443 32.434 1.00 0.00 H new ATOM 0 HA LEU A 37 18.360 29.403 32.223 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.389 29.600 30.366 1.00 0.00 H new ATOM 0 HB3 LEU A 37 17.698 29.010 29.363 1.00 0.00 H new ATOM 0 HG LEU A 37 16.431 27.690 31.748 1.00 0.00 H new ATOM 0 HD11 LEU A 37 16.000 25.871 30.023 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.294 27.432 29.540 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.818 26.880 28.806 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.879 25.748 31.561 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.927 26.654 30.443 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.717 27.215 32.119 1.00 0.00 H new ATOM 541 N LYS A 38 20.737 30.605 31.238 1.00 0.00 N ATOM 542 CA LYS A 38 22.143 30.522 30.888 1.00 0.00 C ATOM 543 C LYS A 38 22.938 30.980 32.128 1.00 0.00 C ATOM 544 O LYS A 38 22.796 30.311 33.192 1.00 0.00 O ATOM 545 CB LYS A 38 22.580 31.397 29.679 1.00 0.00 C ATOM 546 CG LYS A 38 21.980 30.972 28.331 1.00 0.00 C ATOM 547 CD LYS A 38 22.687 31.534 27.092 1.00 0.00 C ATOM 548 CE LYS A 38 22.670 33.067 26.995 1.00 0.00 C ATOM 549 NZ LYS A 38 23.275 33.525 25.715 1.00 0.00 N ATOM 550 OXT LYS A 38 23.707 31.973 32.024 1.00 0.00 O ATOM 0 H LYS A 38 20.521 31.354 31.895 1.00 0.00 H new ATOM 0 HA LYS A 38 22.337 29.492 30.587 1.00 0.00 H new ATOM 0 HB2 LYS A 38 22.300 32.432 29.876 1.00 0.00 H new ATOM 0 HB3 LYS A 38 23.667 31.370 29.602 1.00 0.00 H new ATOM 0 HG2 LYS A 38 21.993 29.884 28.274 1.00 0.00 H new ATOM 0 HG3 LYS A 38 20.935 31.281 28.304 1.00 0.00 H new ATOM 0 HD2 LYS A 38 23.722 31.193 27.093 1.00 0.00 H new ATOM 0 HD3 LYS A 38 22.216 31.120 26.200 1.00 0.00 H new ATOM 0 HE2 LYS A 38 21.644 33.429 27.067 1.00 0.00 H new ATOM 0 HE3 LYS A 38 23.218 33.495 27.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.252 34.564 25.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.261 33.198 25.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 22.736 33.134 24.917 1.00 0.00 H new TER 564 LYS A 38