USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 363 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+ 147:sc= 0.00239 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ 157:sc= 0.00227 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.189 -1.054 4.076 1.00 11.00 N ATOM 2 CA GLU A 1 15.779 -2.001 3.054 1.00 43.05 C ATOM 3 C GLU A 1 14.917 -1.304 1.998 1.00 0.53 C ATOM 4 O GLU A 1 13.975 -0.590 2.335 1.00 72.20 O ATOM 5 CB GLU A 1 15.036 -3.187 3.670 1.00 25.54 C ATOM 6 CG GLU A 1 14.906 -4.336 2.668 1.00 33.04 C ATOM 7 CD GLU A 1 15.683 -5.567 3.142 1.00 24.51 C ATOM 8 OE1 GLU A 1 15.421 -5.997 4.286 1.00 30.21 O ATOM 9 OE2 GLU A 1 16.520 -6.050 2.349 1.00 61.33 O ATOM 0 H1 GLU A 1 16.256 -1.540 4.993 1.00 11.00 H new ATOM 0 H2 GLU A 1 17.116 -0.655 3.827 1.00 11.00 H new ATOM 0 H3 GLU A 1 15.488 -0.288 4.141 1.00 11.00 H new ATOM 0 HA GLU A 1 16.674 -2.388 2.567 1.00 43.05 H new ATOM 0 HB2 GLU A 1 15.567 -3.532 4.557 1.00 25.54 H new ATOM 0 HB3 GLU A 1 14.045 -2.870 3.995 1.00 25.54 H new ATOM 0 HG2 GLU A 1 13.855 -4.593 2.538 1.00 33.04 H new ATOM 0 HG3 GLU A 1 15.279 -4.018 1.694 1.00 33.04 H new ATOM 16 N ILE A 2 15.274 -1.534 0.743 1.00 61.01 N ATOM 17 CA ILE A 2 14.547 -0.937 -0.363 1.00 61.51 C ATOM 18 C ILE A 2 13.450 -1.899 -0.826 1.00 73.10 C ATOM 19 O ILE A 2 12.419 -1.470 -1.343 1.00 13.45 O ATOM 20 CB ILE A 2 15.510 -0.521 -1.476 1.00 61.45 C ATOM 21 CG1 ILE A 2 16.164 -1.745 -2.121 1.00 60.13 C ATOM 22 CG2 ILE A 2 16.547 0.477 -0.960 1.00 1.35 C ATOM 23 CD1 ILE A 2 15.935 -1.756 -3.633 1.00 41.43 C ATOM 0 H ILE A 2 16.058 -2.126 0.468 1.00 61.01 H new ATOM 0 HA ILE A 2 14.053 -0.020 -0.042 1.00 61.51 H new ATOM 0 HB ILE A 2 14.936 -0.015 -2.252 1.00 61.45 H new ATOM 0 HG12 ILE A 2 17.234 -1.743 -1.912 1.00 60.13 H new ATOM 0 HG13 ILE A 2 15.755 -2.655 -1.681 1.00 60.13 H new ATOM 0 HG21 ILE A 2 17.219 0.756 -1.772 1.00 1.35 H new ATOM 0 HG22 ILE A 2 16.041 1.367 -0.586 1.00 1.35 H new ATOM 0 HG23 ILE A 2 17.122 0.021 -0.154 1.00 1.35 H new ATOM 0 HD11 ILE A 2 16.410 -2.636 -4.067 1.00 41.43 H new ATOM 0 HD12 ILE A 2 14.865 -1.783 -3.839 1.00 41.43 H new ATOM 0 HD13 ILE A 2 16.367 -0.857 -4.073 1.00 41.43 H new ATOM 35 N ALA A 3 13.710 -3.182 -0.623 1.00 71.23 N ATOM 36 CA ALA A 3 12.758 -4.209 -1.013 1.00 60.51 C ATOM 37 C ALA A 3 11.503 -4.090 -0.146 1.00 40.32 C ATOM 38 O ALA A 3 10.401 -4.402 -0.596 1.00 33.23 O ATOM 39 CB ALA A 3 13.417 -5.585 -0.900 1.00 21.44 C ATOM 0 H ALA A 3 14.566 -3.534 -0.194 1.00 71.23 H new ATOM 0 HA ALA A 3 12.455 -4.077 -2.052 1.00 60.51 H new ATOM 0 HB1 ALA A 3 12.703 -6.355 -1.192 1.00 21.44 H new ATOM 0 HB2 ALA A 3 14.286 -5.627 -1.557 1.00 21.44 H new ATOM 0 HB3 ALA A 3 13.732 -5.754 0.130 1.00 21.44 H new ATOM 45 N ALA A 4 11.712 -3.640 1.082 1.00 32.44 N ATOM 46 CA ALA A 4 10.610 -3.476 2.016 1.00 2.25 C ATOM 47 C ALA A 4 9.737 -2.303 1.569 1.00 54.32 C ATOM 48 O ALA A 4 8.568 -2.217 1.940 1.00 43.05 O ATOM 49 CB ALA A 4 11.164 -3.285 3.430 1.00 12.00 C ATOM 0 H ALA A 4 12.627 -3.384 1.452 1.00 32.44 H new ATOM 0 HA ALA A 4 9.982 -4.367 2.029 1.00 2.25 H new ATOM 0 HB1 ALA A 4 10.338 -3.162 4.131 1.00 12.00 H new ATOM 0 HB2 ALA A 4 11.752 -4.159 3.712 1.00 12.00 H new ATOM 0 HB3 ALA A 4 11.797 -2.398 3.456 1.00 12.00 H new ATOM 55 N LEU A 5 10.340 -1.427 0.777 1.00 64.43 N ATOM 56 CA LEU A 5 9.631 -0.262 0.275 1.00 63.23 C ATOM 57 C LEU A 5 8.350 -0.714 -0.429 1.00 71.54 C ATOM 58 O LEU A 5 7.285 -0.133 -0.222 1.00 42.31 O ATOM 59 CB LEU A 5 10.551 0.585 -0.607 1.00 12.12 C ATOM 60 CG LEU A 5 10.419 0.371 -2.115 1.00 44.25 C ATOM 61 CD1 LEU A 5 9.080 0.899 -2.630 1.00 61.44 C ATOM 62 CD2 LEU A 5 11.604 0.987 -2.863 1.00 12.14 C ATOM 0 H LEU A 5 11.310 -1.501 0.471 1.00 64.43 H new ATOM 0 HA LEU A 5 9.331 0.386 1.099 1.00 63.23 H new ATOM 0 HB2 LEU A 5 10.361 1.636 -0.391 1.00 12.12 H new ATOM 0 HB3 LEU A 5 11.583 0.383 -0.321 1.00 12.12 H new ATOM 0 HG LEU A 5 10.438 -0.701 -2.309 1.00 44.25 H new ATOM 0 HD11 LEU A 5 9.013 0.734 -3.705 1.00 61.44 H new ATOM 0 HD12 LEU A 5 8.266 0.374 -2.131 1.00 61.44 H new ATOM 0 HD13 LEU A 5 9.005 1.966 -2.422 1.00 61.44 H new ATOM 0 HD21 LEU A 5 11.485 0.820 -3.934 1.00 12.14 H new ATOM 0 HD22 LEU A 5 11.642 2.058 -2.665 1.00 12.14 H new ATOM 0 HD23 LEU A 5 12.530 0.522 -2.524 1.00 12.14 H new ATOM 74 N GLU A 6 8.495 -1.746 -1.248 1.00 34.41 N ATOM 75 CA GLU A 6 7.363 -2.281 -1.984 1.00 62.21 C ATOM 76 C GLU A 6 6.309 -2.825 -1.016 1.00 52.51 C ATOM 77 O GLU A 6 5.111 -2.708 -1.268 1.00 42.31 O ATOM 78 CB GLU A 6 7.812 -3.362 -2.970 1.00 33.33 C ATOM 79 CG GLU A 6 6.677 -3.737 -3.926 1.00 14.43 C ATOM 80 CD GLU A 6 7.200 -3.917 -5.353 1.00 11.30 C ATOM 81 OE1 GLU A 6 8.372 -4.331 -5.480 1.00 1.42 O ATOM 82 OE2 GLU A 6 6.416 -3.635 -6.285 1.00 24.22 O ATOM 0 H GLU A 6 9.379 -2.225 -1.418 1.00 34.41 H new ATOM 0 HA GLU A 6 6.915 -1.472 -2.561 1.00 62.21 H new ATOM 0 HB2 GLU A 6 8.670 -3.006 -3.540 1.00 33.33 H new ATOM 0 HB3 GLU A 6 8.138 -4.246 -2.422 1.00 33.33 H new ATOM 0 HG2 GLU A 6 6.203 -4.659 -3.590 1.00 14.43 H new ATOM 0 HG3 GLU A 6 5.912 -2.961 -3.910 1.00 14.43 H new ATOM 89 N LYS A 7 6.795 -3.408 0.070 1.00 13.45 N ATOM 90 CA LYS A 7 5.911 -3.969 1.076 1.00 2.42 C ATOM 91 C LYS A 7 5.245 -2.833 1.855 1.00 61.30 C ATOM 92 O LYS A 7 4.148 -3.000 2.386 1.00 25.03 O ATOM 93 CB LYS A 7 6.669 -4.960 1.962 1.00 21.02 C ATOM 94 CG LYS A 7 5.898 -6.274 2.098 1.00 5.03 C ATOM 95 CD LYS A 7 6.853 -7.451 2.313 1.00 55.32 C ATOM 96 CE LYS A 7 6.530 -8.601 1.356 1.00 73.03 C ATOM 97 NZ LYS A 7 7.729 -9.440 1.131 1.00 32.53 N ATOM 0 H LYS A 7 7.790 -3.504 0.275 1.00 13.45 H new ATOM 0 HA LYS A 7 5.113 -4.543 0.605 1.00 2.42 H new ATOM 0 HB2 LYS A 7 7.654 -5.154 1.537 1.00 21.02 H new ATOM 0 HB3 LYS A 7 6.828 -4.524 2.948 1.00 21.02 H new ATOM 0 HG2 LYS A 7 5.203 -6.207 2.935 1.00 5.03 H new ATOM 0 HG3 LYS A 7 5.301 -6.444 1.202 1.00 5.03 H new ATOM 0 HD2 LYS A 7 7.881 -7.123 2.159 1.00 55.32 H new ATOM 0 HD3 LYS A 7 6.781 -7.799 3.343 1.00 55.32 H new ATOM 0 HE2 LYS A 7 5.725 -9.210 1.768 1.00 73.03 H new ATOM 0 HE3 LYS A 7 6.174 -8.202 0.406 1.00 73.03 H new ATOM 0 HZ1 LYS A 7 7.493 -10.216 0.480 1.00 32.53 H new ATOM 0 HZ2 LYS A 7 8.486 -8.859 0.718 1.00 32.53 H new ATOM 0 HZ3 LYS A 7 8.051 -9.835 2.037 1.00 32.53 H new ATOM 111 N GLU A 8 5.936 -1.703 1.898 1.00 24.12 N ATOM 112 CA GLU A 8 5.424 -0.540 2.604 1.00 41.43 C ATOM 113 C GLU A 8 4.264 0.085 1.825 1.00 11.11 C ATOM 114 O GLU A 8 3.196 0.327 2.385 1.00 53.45 O ATOM 115 CB GLU A 8 6.534 0.484 2.849 1.00 5.41 C ATOM 116 CG GLU A 8 6.572 0.909 4.318 1.00 61.11 C ATOM 117 CD GLU A 8 7.872 0.458 4.987 1.00 32.25 C ATOM 118 OE1 GLU A 8 7.932 -0.732 5.363 1.00 1.22 O ATOM 119 OE2 GLU A 8 8.775 1.313 5.106 1.00 35.24 O ATOM 0 H GLU A 8 6.845 -1.568 1.456 1.00 24.12 H new ATOM 0 HA GLU A 8 5.051 -0.863 3.576 1.00 41.43 H new ATOM 0 HB2 GLU A 8 7.496 0.058 2.565 1.00 5.41 H new ATOM 0 HB3 GLU A 8 6.373 1.358 2.218 1.00 5.41 H new ATOM 0 HG2 GLU A 8 6.480 1.993 4.389 1.00 61.11 H new ATOM 0 HG3 GLU A 8 5.720 0.481 4.846 1.00 61.11 H new ATOM 126 N ILE A 9 4.515 0.329 0.547 1.00 44.31 N ATOM 127 CA ILE A 9 3.505 0.920 -0.313 1.00 74.42 C ATOM 128 C ILE A 9 2.400 -0.105 -0.577 1.00 43.50 C ATOM 129 O ILE A 9 1.238 0.259 -0.750 1.00 1.13 O ATOM 130 CB ILE A 9 4.145 1.475 -1.588 1.00 31.43 C ATOM 131 CG1 ILE A 9 5.035 0.426 -2.256 1.00 53.11 C ATOM 132 CG2 ILE A 9 4.905 2.772 -1.299 1.00 3.35 C ATOM 133 CD1 ILE A 9 4.923 0.504 -3.780 1.00 40.44 C ATOM 0 H ILE A 9 5.403 0.128 0.087 1.00 44.31 H new ATOM 0 HA ILE A 9 3.038 1.772 0.180 1.00 74.42 H new ATOM 0 HB ILE A 9 3.349 1.717 -2.293 1.00 31.43 H new ATOM 0 HG12 ILE A 9 6.072 0.578 -1.955 1.00 53.11 H new ATOM 0 HG13 ILE A 9 4.748 -0.569 -1.917 1.00 53.11 H new ATOM 0 HG21 ILE A 9 5.350 3.146 -2.221 1.00 3.35 H new ATOM 0 HG22 ILE A 9 4.216 3.517 -0.901 1.00 3.35 H new ATOM 0 HG23 ILE A 9 5.691 2.578 -0.569 1.00 3.35 H new ATOM 0 HD11 ILE A 9 5.565 -0.252 -4.231 1.00 40.44 H new ATOM 0 HD12 ILE A 9 3.890 0.327 -4.078 1.00 40.44 H new ATOM 0 HD13 ILE A 9 5.234 1.493 -4.118 1.00 40.44 H new ATOM 145 N ALA A 10 2.802 -1.367 -0.599 1.00 43.42 N ATOM 146 CA ALA A 10 1.861 -2.448 -0.839 1.00 43.10 C ATOM 147 C ALA A 10 0.794 -2.443 0.257 1.00 13.34 C ATOM 148 O ALA A 10 -0.335 -2.873 0.032 1.00 32.20 O ATOM 149 CB ALA A 10 2.617 -3.777 -0.910 1.00 62.42 C ATOM 0 H ALA A 10 3.767 -1.665 -0.455 1.00 43.42 H new ATOM 0 HA ALA A 10 1.354 -2.310 -1.794 1.00 43.10 H new ATOM 0 HB1 ALA A 10 1.911 -4.588 -1.090 1.00 62.42 H new ATOM 0 HB2 ALA A 10 3.342 -3.740 -1.723 1.00 62.42 H new ATOM 0 HB3 ALA A 10 3.137 -3.951 0.032 1.00 62.42 H new ATOM 155 N ALA A 11 1.191 -1.950 1.422 1.00 73.13 N ATOM 156 CA ALA A 11 0.283 -1.882 2.554 1.00 61.20 C ATOM 157 C ALA A 11 -0.857 -0.915 2.231 1.00 73.11 C ATOM 158 O ALA A 11 -2.003 -1.151 2.610 1.00 11.44 O ATOM 159 CB ALA A 11 1.059 -1.471 3.807 1.00 30.13 C ATOM 0 H ALA A 11 2.129 -1.594 1.606 1.00 73.13 H new ATOM 0 HA ALA A 11 -0.159 -2.859 2.750 1.00 61.20 H new ATOM 0 HB1 ALA A 11 0.378 -1.420 4.656 1.00 30.13 H new ATOM 0 HB2 ALA A 11 1.838 -2.206 4.010 1.00 30.13 H new ATOM 0 HB3 ALA A 11 1.515 -0.494 3.648 1.00 30.13 H new ATOM 165 N LEU A 12 -0.504 0.155 1.534 1.00 42.43 N ATOM 166 CA LEU A 12 -1.483 1.159 1.155 1.00 54.20 C ATOM 167 C LEU A 12 -2.118 0.768 -0.181 1.00 64.23 C ATOM 168 O LEU A 12 -3.211 1.226 -0.511 1.00 41.40 O ATOM 169 CB LEU A 12 -0.848 2.551 1.149 1.00 20.11 C ATOM 170 CG LEU A 12 -0.192 2.994 2.459 1.00 43.44 C ATOM 171 CD1 LEU A 12 -1.042 2.588 3.663 1.00 24.34 C ATOM 172 CD2 LEU A 12 1.239 2.461 2.562 1.00 72.15 C ATOM 0 H LEU A 12 0.448 0.348 1.222 1.00 42.43 H new ATOM 0 HA LEU A 12 -2.287 1.203 1.890 1.00 54.20 H new ATOM 0 HB2 LEU A 12 -0.096 2.582 0.360 1.00 20.11 H new ATOM 0 HB3 LEU A 12 -1.616 3.278 0.886 1.00 20.11 H new ATOM 0 HG LEU A 12 -0.132 4.082 2.460 1.00 43.44 H new ATOM 0 HD11 LEU A 12 -0.553 2.915 4.581 1.00 24.34 H new ATOM 0 HD12 LEU A 12 -2.024 3.055 3.589 1.00 24.34 H new ATOM 0 HD13 LEU A 12 -1.156 1.504 3.679 1.00 24.34 H new ATOM 0 HD21 LEU A 12 1.683 2.790 3.502 1.00 72.15 H new ATOM 0 HD22 LEU A 12 1.225 1.372 2.529 1.00 72.15 H new ATOM 0 HD23 LEU A 12 1.830 2.842 1.729 1.00 72.15 H new ATOM 184 N GLU A 13 -1.407 -0.077 -0.914 1.00 11.24 N ATOM 185 CA GLU A 13 -1.887 -0.535 -2.206 1.00 73.21 C ATOM 186 C GLU A 13 -3.029 -1.537 -2.023 1.00 12.14 C ATOM 187 O GLU A 13 -3.981 -1.546 -2.801 1.00 31.42 O ATOM 188 CB GLU A 13 -0.750 -1.144 -3.028 1.00 51.14 C ATOM 189 CG GLU A 13 -1.146 -1.270 -4.501 1.00 52.31 C ATOM 190 CD GLU A 13 -1.353 -2.734 -4.891 1.00 3.33 C ATOM 191 OE1 GLU A 13 -2.362 -3.308 -4.427 1.00 5.21 O ATOM 192 OE2 GLU A 13 -0.497 -3.248 -5.644 1.00 20.44 O ATOM 0 H GLU A 13 -0.502 -0.456 -0.637 1.00 11.24 H new ATOM 0 HA GLU A 13 -2.269 0.325 -2.756 1.00 73.21 H new ATOM 0 HB2 GLU A 13 0.141 -0.523 -2.939 1.00 51.14 H new ATOM 0 HB3 GLU A 13 -0.495 -2.126 -2.631 1.00 51.14 H new ATOM 0 HG2 GLU A 13 -2.062 -0.708 -4.684 1.00 52.31 H new ATOM 0 HG3 GLU A 13 -0.371 -0.829 -5.128 1.00 52.31 H new ATOM 199 N LYS A 14 -2.896 -2.356 -0.990 1.00 11.40 N ATOM 200 CA LYS A 14 -3.904 -3.359 -0.695 1.00 62.40 C ATOM 201 C LYS A 14 -5.138 -2.676 -0.102 1.00 34.25 C ATOM 202 O LYS A 14 -6.251 -3.186 -0.219 1.00 63.32 O ATOM 203 CB LYS A 14 -3.322 -4.458 0.196 1.00 20.22 C ATOM 204 CG LYS A 14 -3.903 -5.825 -0.171 1.00 1.21 C ATOM 205 CD LYS A 14 -3.244 -6.379 -1.436 1.00 75.20 C ATOM 206 CE LYS A 14 -4.002 -7.601 -1.959 1.00 24.53 C ATOM 207 NZ LYS A 14 -4.486 -7.361 -3.337 1.00 72.01 N ATOM 0 H LYS A 14 -2.105 -2.345 -0.347 1.00 11.40 H new ATOM 0 HA LYS A 14 -4.224 -3.858 -1.610 1.00 62.40 H new ATOM 0 HB2 LYS A 14 -2.237 -4.480 0.091 1.00 20.22 H new ATOM 0 HB3 LYS A 14 -3.537 -4.236 1.241 1.00 20.22 H new ATOM 0 HG2 LYS A 14 -3.755 -6.521 0.655 1.00 1.21 H new ATOM 0 HG3 LYS A 14 -4.978 -5.738 -0.325 1.00 1.21 H new ATOM 0 HD2 LYS A 14 -3.218 -5.607 -2.205 1.00 75.20 H new ATOM 0 HD3 LYS A 14 -2.210 -6.652 -1.222 1.00 75.20 H new ATOM 0 HE2 LYS A 14 -3.350 -8.475 -1.943 1.00 24.53 H new ATOM 0 HE3 LYS A 14 -4.845 -7.821 -1.304 1.00 24.53 H new ATOM 0 HZ1 LYS A 14 -4.998 -8.200 -3.676 1.00 72.01 H new ATOM 0 HZ2 LYS A 14 -5.125 -6.540 -3.343 1.00 72.01 H new ATOM 0 HZ3 LYS A 14 -3.676 -7.174 -3.962 1.00 72.01 H new ATOM 221 N GLU A 15 -4.899 -1.532 0.522 1.00 31.30 N ATOM 222 CA GLU A 15 -5.977 -0.773 1.133 1.00 24.30 C ATOM 223 C GLU A 15 -6.840 -0.112 0.056 1.00 42.55 C ATOM 224 O GLU A 15 -8.059 -0.277 0.043 1.00 12.45 O ATOM 225 CB GLU A 15 -5.429 0.267 2.112 1.00 74.40 C ATOM 226 CG GLU A 15 -6.188 0.224 3.440 1.00 10.14 C ATOM 227 CD GLU A 15 -5.658 -0.895 4.338 1.00 41.21 C ATOM 228 OE1 GLU A 15 -4.430 -1.125 4.295 1.00 54.45 O ATOM 229 OE2 GLU A 15 -6.493 -1.497 5.048 1.00 0.43 O ATOM 0 H GLU A 15 -3.974 -1.112 0.618 1.00 31.30 H new ATOM 0 HA GLU A 15 -6.604 -1.462 1.699 1.00 24.30 H new ATOM 0 HB2 GLU A 15 -4.369 0.082 2.289 1.00 74.40 H new ATOM 0 HB3 GLU A 15 -5.511 1.262 1.674 1.00 74.40 H new ATOM 0 HG2 GLU A 15 -6.090 1.182 3.950 1.00 10.14 H new ATOM 0 HG3 GLU A 15 -7.251 0.071 3.251 1.00 10.14 H new ATOM 236 N ILE A 16 -6.172 0.622 -0.822 1.00 31.20 N ATOM 237 CA ILE A 16 -6.861 1.308 -1.901 1.00 61.44 C ATOM 238 C ILE A 16 -7.496 0.275 -2.834 1.00 62.42 C ATOM 239 O ILE A 16 -8.486 0.564 -3.506 1.00 14.23 O ATOM 240 CB ILE A 16 -5.915 2.277 -2.611 1.00 54.43 C ATOM 241 CG1 ILE A 16 -4.672 1.550 -3.129 1.00 41.43 C ATOM 242 CG2 ILE A 16 -5.552 3.455 -1.704 1.00 64.12 C ATOM 243 CD1 ILE A 16 -4.721 1.394 -4.650 1.00 13.33 C ATOM 0 H ILE A 16 -5.161 0.756 -0.808 1.00 31.20 H new ATOM 0 HA ILE A 16 -7.671 1.921 -1.505 1.00 61.44 H new ATOM 0 HB ILE A 16 -6.435 2.686 -3.478 1.00 54.43 H new ATOM 0 HG12 ILE A 16 -3.778 2.105 -2.846 1.00 41.43 H new ATOM 0 HG13 ILE A 16 -4.600 0.568 -2.661 1.00 41.43 H new ATOM 0 HG21 ILE A 16 -4.878 4.128 -2.234 1.00 64.12 H new ATOM 0 HG22 ILE A 16 -6.458 3.993 -1.426 1.00 64.12 H new ATOM 0 HG23 ILE A 16 -5.060 3.084 -0.805 1.00 64.12 H new ATOM 0 HD11 ILE A 16 -3.826 0.874 -4.991 1.00 13.33 H new ATOM 0 HD12 ILE A 16 -5.603 0.818 -4.928 1.00 13.33 H new ATOM 0 HD13 ILE A 16 -4.769 2.379 -5.115 1.00 13.33 H new ATOM 255 N ALA A 17 -6.903 -0.909 -2.845 1.00 63.32 N ATOM 256 CA ALA A 17 -7.398 -1.987 -3.684 1.00 25.41 C ATOM 257 C ALA A 17 -8.896 -2.174 -3.434 1.00 42.23 C ATOM 258 O ALA A 17 -9.612 -2.693 -4.290 1.00 50.13 O ATOM 259 CB ALA A 17 -6.598 -3.261 -3.404 1.00 52.44 C ATOM 0 H ALA A 17 -6.084 -1.146 -2.286 1.00 63.32 H new ATOM 0 HA ALA A 17 -7.266 -1.744 -4.738 1.00 25.41 H new ATOM 0 HB1 ALA A 17 -6.969 -4.070 -4.033 1.00 52.44 H new ATOM 0 HB2 ALA A 17 -5.545 -3.085 -3.623 1.00 52.44 H new ATOM 0 HB3 ALA A 17 -6.709 -3.537 -2.355 1.00 52.44 H new ATOM 265 N ALA A 18 -9.327 -1.742 -2.259 1.00 35.12 N ATOM 266 CA ALA A 18 -10.727 -1.854 -1.886 1.00 11.53 C ATOM 267 C ALA A 18 -11.551 -0.864 -2.711 1.00 54.32 C ATOM 268 O ALA A 18 -12.584 -1.227 -3.272 1.00 35.10 O ATOM 269 CB ALA A 18 -10.875 -1.625 -0.381 1.00 13.25 C ATOM 0 H ALA A 18 -8.731 -1.313 -1.551 1.00 35.12 H new ATOM 0 HA ALA A 18 -11.102 -2.854 -2.101 1.00 11.53 H new ATOM 0 HB1 ALA A 18 -11.925 -1.709 -0.102 1.00 13.25 H new ATOM 0 HB2 ALA A 18 -10.295 -2.373 0.160 1.00 13.25 H new ATOM 0 HB3 ALA A 18 -10.511 -0.630 -0.127 1.00 13.25 H new ATOM 275 N LEU A 19 -11.064 0.368 -2.759 1.00 3.33 N ATOM 276 CA LEU A 19 -11.742 1.413 -3.505 1.00 72.21 C ATOM 277 C LEU A 19 -11.978 0.937 -4.940 1.00 31.32 C ATOM 278 O LEU A 19 -13.119 0.865 -5.394 1.00 24.40 O ATOM 279 CB LEU A 19 -10.965 2.728 -3.413 1.00 23.32 C ATOM 280 CG LEU A 19 -11.338 3.800 -4.439 1.00 20.22 C ATOM 281 CD1 LEU A 19 -12.204 4.889 -3.802 1.00 54.13 C ATOM 282 CD2 LEU A 19 -10.088 4.378 -5.106 1.00 33.20 C ATOM 0 H LEU A 19 -10.207 0.665 -2.292 1.00 3.33 H new ATOM 0 HA LEU A 19 -12.721 1.617 -3.071 1.00 72.21 H new ATOM 0 HB2 LEU A 19 -11.108 3.143 -2.415 1.00 23.32 H new ATOM 0 HB3 LEU A 19 -9.903 2.507 -3.517 1.00 23.32 H new ATOM 0 HG LEU A 19 -11.934 3.332 -5.223 1.00 20.22 H new ATOM 0 HD11 LEU A 19 -12.456 5.639 -4.552 1.00 54.13 H new ATOM 0 HD12 LEU A 19 -13.120 4.444 -3.412 1.00 54.13 H new ATOM 0 HD13 LEU A 19 -11.655 5.361 -2.987 1.00 54.13 H new ATOM 0 HD21 LEU A 19 -10.381 5.138 -5.831 1.00 33.20 H new ATOM 0 HD22 LEU A 19 -9.446 4.828 -4.348 1.00 33.20 H new ATOM 0 HD23 LEU A 19 -9.546 3.581 -5.615 1.00 33.20 H new ATOM 294 N GLU A 20 -10.882 0.626 -5.614 1.00 53.33 N ATOM 295 CA GLU A 20 -10.954 0.160 -6.989 1.00 32.33 C ATOM 296 C GLU A 20 -11.931 -1.012 -7.100 1.00 63.32 C ATOM 297 O GLU A 20 -12.898 -0.949 -7.859 1.00 43.52 O ATOM 298 CB GLU A 20 -9.570 -0.229 -7.510 1.00 72.10 C ATOM 299 CG GLU A 20 -9.499 -0.095 -9.033 1.00 21.31 C ATOM 300 CD GLU A 20 -8.308 -0.871 -9.597 1.00 64.24 C ATOM 301 OE1 GLU A 20 -8.108 -2.017 -9.140 1.00 23.52 O ATOM 302 OE2 GLU A 20 -7.623 -0.301 -10.474 1.00 11.23 O ATOM 0 H GLU A 20 -9.937 0.687 -5.234 1.00 53.33 H new ATOM 0 HA GLU A 20 -11.323 0.976 -7.610 1.00 32.33 H new ATOM 0 HB2 GLU A 20 -8.813 0.406 -7.050 1.00 72.10 H new ATOM 0 HB3 GLU A 20 -9.344 -1.255 -7.221 1.00 72.10 H new ATOM 0 HG2 GLU A 20 -10.423 -0.466 -9.478 1.00 21.31 H new ATOM 0 HG3 GLU A 20 -9.414 0.957 -9.305 1.00 21.31 H new ATOM 309 N LYS A 21 -11.646 -2.054 -6.332 1.00 11.10 N ATOM 310 CA LYS A 21 -12.487 -3.238 -6.335 1.00 62.22 C ATOM 311 C LYS A 21 -13.335 -3.260 -5.062 1.00 54.03 C ATOM 312 O LYS A 21 -13.172 -4.139 -4.217 1.00 15.42 O ATOM 313 CB LYS A 21 -11.640 -4.497 -6.531 1.00 13.43 C ATOM 314 CG LYS A 21 -12.432 -5.584 -7.259 1.00 44.14 C ATOM 315 CD LYS A 21 -13.131 -6.513 -6.264 1.00 72.43 C ATOM 316 CE LYS A 21 -13.133 -7.957 -6.770 1.00 3.20 C ATOM 317 NZ LYS A 21 -14.439 -8.292 -7.379 1.00 71.35 N ATOM 0 H LYS A 21 -10.844 -2.102 -5.704 1.00 11.10 H new ATOM 0 HA LYS A 21 -13.177 -3.212 -7.178 1.00 62.22 H new ATOM 0 HB2 LYS A 21 -10.744 -4.251 -7.101 1.00 13.43 H new ATOM 0 HB3 LYS A 21 -11.309 -4.871 -5.562 1.00 13.43 H new ATOM 0 HG2 LYS A 21 -13.172 -5.123 -7.913 1.00 44.14 H new ATOM 0 HG3 LYS A 21 -11.762 -6.164 -7.894 1.00 44.14 H new ATOM 0 HD2 LYS A 21 -12.627 -6.463 -5.299 1.00 72.43 H new ATOM 0 HD3 LYS A 21 -14.156 -6.178 -6.106 1.00 72.43 H new ATOM 0 HE2 LYS A 21 -12.338 -8.092 -7.503 1.00 3.20 H new ATOM 0 HE3 LYS A 21 -12.925 -8.638 -5.945 1.00 3.20 H new ATOM 0 HZ1 LYS A 21 -14.422 -9.275 -7.717 1.00 71.35 H new ATOM 0 HZ2 LYS A 21 -15.191 -8.182 -6.669 1.00 71.35 H new ATOM 0 HZ3 LYS A 21 -14.623 -7.654 -8.180 1.00 71.35 H new TER 331 LYS A 21 ATOM 332 N LYS B 1 15.541 3.663 -3.249 1.00 30.11 N ATOM 333 CA LYS B 1 15.776 5.006 -2.747 1.00 1.44 C ATOM 334 C LYS B 1 14.734 5.336 -1.676 1.00 71.43 C ATOM 335 O LYS B 1 13.540 5.125 -1.883 1.00 0.34 O ATOM 336 CB LYS B 1 15.814 6.010 -3.899 1.00 74.14 C ATOM 337 CG LYS B 1 17.228 6.141 -4.469 1.00 5.13 C ATOM 338 CD LYS B 1 17.948 7.353 -3.874 1.00 71.13 C ATOM 339 CE LYS B 1 18.982 6.921 -2.833 1.00 43.42 C ATOM 340 NZ LYS B 1 20.354 7.200 -3.318 1.00 25.55 N ATOM 0 H1 LYS B 1 15.955 3.570 -4.199 1.00 30.11 H new ATOM 0 H2 LYS B 1 15.982 2.971 -2.610 1.00 30.11 H new ATOM 0 H3 LYS B 1 14.518 3.485 -3.299 1.00 30.11 H new ATOM 0 HA LYS B 1 16.754 5.068 -2.270 1.00 1.44 H new ATOM 0 HB2 LYS B 1 15.130 5.692 -4.685 1.00 74.14 H new ATOM 0 HB3 LYS B 1 15.468 6.983 -3.549 1.00 74.14 H new ATOM 0 HG2 LYS B 1 17.796 5.235 -4.255 1.00 5.13 H new ATOM 0 HG3 LYS B 1 17.179 6.238 -5.554 1.00 5.13 H new ATOM 0 HD2 LYS B 1 18.440 7.914 -4.669 1.00 71.13 H new ATOM 0 HD3 LYS B 1 17.221 8.022 -3.414 1.00 71.13 H new ATOM 0 HE2 LYS B 1 18.806 7.450 -1.896 1.00 43.42 H new ATOM 0 HE3 LYS B 1 18.873 5.857 -2.624 1.00 43.42 H new ATOM 0 HZ1 LYS B 1 21.044 6.901 -2.599 1.00 25.55 H new ATOM 0 HZ2 LYS B 1 20.524 6.676 -4.200 1.00 25.55 H new ATOM 0 HZ3 LYS B 1 20.459 8.219 -3.495 1.00 25.55 H new ATOM 354 N ILE B 2 15.223 5.848 -0.557 1.00 54.15 N ATOM 355 CA ILE B 2 14.349 6.210 0.545 1.00 14.13 C ATOM 356 C ILE B 2 13.560 7.467 0.174 1.00 13.01 C ATOM 357 O ILE B 2 12.419 7.637 0.603 1.00 50.35 O ATOM 358 CB ILE B 2 15.150 6.348 1.842 1.00 13.33 C ATOM 359 CG1 ILE B 2 16.233 7.420 1.706 1.00 15.40 C ATOM 360 CG2 ILE B 2 15.730 5.000 2.274 1.00 23.52 C ATOM 361 CD1 ILE B 2 16.164 8.419 2.862 1.00 0.14 C ATOM 0 H ILE B 2 16.214 6.021 -0.390 1.00 54.15 H new ATOM 0 HA ILE B 2 13.622 5.419 0.729 1.00 14.13 H new ATOM 0 HB ILE B 2 14.471 6.674 2.630 1.00 13.33 H new ATOM 0 HG12 ILE B 2 17.216 6.949 1.686 1.00 15.40 H new ATOM 0 HG13 ILE B 2 16.112 7.946 0.759 1.00 15.40 H new ATOM 0 HG21 ILE B 2 16.294 5.126 3.198 1.00 23.52 H new ATOM 0 HG22 ILE B 2 14.919 4.291 2.438 1.00 23.52 H new ATOM 0 HG23 ILE B 2 16.391 4.621 1.494 1.00 23.52 H new ATOM 0 HD11 ILE B 2 16.945 9.170 2.741 1.00 0.14 H new ATOM 0 HD12 ILE B 2 15.189 8.906 2.864 1.00 0.14 H new ATOM 0 HD13 ILE B 2 16.309 7.894 3.806 1.00 0.14 H new ATOM 373 N ALA B 3 14.198 8.315 -0.619 1.00 40.25 N ATOM 374 CA ALA B 3 13.570 9.551 -1.053 1.00 32.14 C ATOM 375 C ALA B 3 12.445 9.228 -2.039 1.00 53.54 C ATOM 376 O ALA B 3 11.488 9.990 -2.166 1.00 2.05 O ATOM 377 CB ALA B 3 14.627 10.477 -1.658 1.00 3.23 C ATOM 0 H ALA B 3 15.144 8.170 -0.972 1.00 40.25 H new ATOM 0 HA ALA B 3 13.126 10.073 -0.205 1.00 32.14 H new ATOM 0 HB1 ALA B 3 14.155 11.404 -1.983 1.00 3.23 H new ATOM 0 HB2 ALA B 3 15.387 10.700 -0.909 1.00 3.23 H new ATOM 0 HB3 ALA B 3 15.093 9.987 -2.513 1.00 3.23 H new ATOM 383 N ALA B 4 12.598 8.097 -2.712 1.00 12.34 N ATOM 384 CA ALA B 4 11.608 7.663 -3.683 1.00 31.13 C ATOM 385 C ALA B 4 10.438 7.004 -2.950 1.00 73.33 C ATOM 386 O ALA B 4 9.280 7.203 -3.318 1.00 41.21 O ATOM 387 CB ALA B 4 12.265 6.725 -4.698 1.00 24.45 C ATOM 0 H ALA B 4 13.393 7.468 -2.604 1.00 12.34 H new ATOM 0 HA ALA B 4 11.213 8.515 -4.236 1.00 31.13 H new ATOM 0 HB1 ALA B 4 11.522 6.399 -5.426 1.00 24.45 H new ATOM 0 HB2 ALA B 4 13.070 7.251 -5.211 1.00 24.45 H new ATOM 0 HB3 ALA B 4 12.671 5.856 -4.181 1.00 24.45 H new ATOM 393 N LEU B 5 10.779 6.235 -1.928 1.00 70.42 N ATOM 394 CA LEU B 5 9.770 5.546 -1.141 1.00 64.30 C ATOM 395 C LEU B 5 8.924 6.576 -0.388 1.00 42.45 C ATOM 396 O LEU B 5 7.726 6.378 -0.196 1.00 3.22 O ATOM 397 CB LEU B 5 10.421 4.501 -0.231 1.00 34.13 C ATOM 398 CG LEU B 5 9.563 3.994 0.929 1.00 34.31 C ATOM 399 CD1 LEU B 5 9.377 5.082 1.990 1.00 15.43 C ATOM 400 CD2 LEU B 5 8.224 3.453 0.425 1.00 2.11 C ATOM 0 H LEU B 5 11.740 6.073 -1.626 1.00 70.42 H new ATOM 0 HA LEU B 5 9.093 4.992 -1.791 1.00 64.30 H new ATOM 0 HB2 LEU B 5 10.712 3.647 -0.842 1.00 34.13 H new ATOM 0 HB3 LEU B 5 11.337 4.926 0.179 1.00 34.13 H new ATOM 0 HG LEU B 5 10.088 3.165 1.404 1.00 34.31 H new ATOM 0 HD11 LEU B 5 8.763 4.696 2.804 1.00 15.43 H new ATOM 0 HD12 LEU B 5 10.350 5.380 2.380 1.00 15.43 H new ATOM 0 HD13 LEU B 5 8.885 5.946 1.543 1.00 15.43 H new ATOM 0 HD21 LEU B 5 7.633 3.099 1.270 1.00 2.11 H new ATOM 0 HD22 LEU B 5 7.682 4.246 -0.090 1.00 2.11 H new ATOM 0 HD23 LEU B 5 8.401 2.628 -0.265 1.00 2.11 H new ATOM 412 N LYS B 6 9.583 7.652 0.015 1.00 63.40 N ATOM 413 CA LYS B 6 8.906 8.714 0.742 1.00 0.52 C ATOM 414 C LYS B 6 7.687 9.177 -0.057 1.00 52.44 C ATOM 415 O LYS B 6 6.586 9.273 0.483 1.00 15.13 O ATOM 416 CB LYS B 6 9.886 9.840 1.078 1.00 24.21 C ATOM 417 CG LYS B 6 9.809 10.208 2.562 1.00 74.24 C ATOM 418 CD LYS B 6 10.300 11.638 2.798 1.00 54.23 C ATOM 419 CE LYS B 6 10.121 12.044 4.262 1.00 14.11 C ATOM 420 NZ LYS B 6 9.816 13.489 4.365 1.00 4.02 N ATOM 0 H LYS B 6 10.577 7.812 -0.147 1.00 63.40 H new ATOM 0 HA LYS B 6 8.537 8.346 1.700 1.00 0.52 H new ATOM 0 HB2 LYS B 6 10.901 9.530 0.828 1.00 24.21 H new ATOM 0 HB3 LYS B 6 9.661 10.716 0.470 1.00 24.21 H new ATOM 0 HG2 LYS B 6 8.781 10.110 2.912 1.00 74.24 H new ATOM 0 HG3 LYS B 6 10.412 9.512 3.145 1.00 74.24 H new ATOM 0 HD2 LYS B 6 11.351 11.716 2.521 1.00 54.23 H new ATOM 0 HD3 LYS B 6 9.750 12.326 2.156 1.00 54.23 H new ATOM 0 HE2 LYS B 6 9.315 11.463 4.711 1.00 14.11 H new ATOM 0 HE3 LYS B 6 11.028 11.817 4.822 1.00 14.11 H new ATOM 0 HZ1 LYS B 6 9.697 13.748 5.365 1.00 4.02 H new ATOM 0 HZ2 LYS B 6 10.598 14.039 3.955 1.00 4.02 H new ATOM 0 HZ3 LYS B 6 8.938 13.696 3.847 1.00 4.02 H new ATOM 434 N GLU B 7 7.924 9.451 -1.332 1.00 70.31 N ATOM 435 CA GLU B 7 6.858 9.901 -2.211 1.00 14.22 C ATOM 436 C GLU B 7 5.979 8.721 -2.629 1.00 10.45 C ATOM 437 O GLU B 7 4.772 8.873 -2.805 1.00 31.33 O ATOM 438 CB GLU B 7 7.426 10.623 -3.435 1.00 44.12 C ATOM 439 CG GLU B 7 8.302 9.683 -4.268 1.00 20.51 C ATOM 440 CD GLU B 7 8.732 10.350 -5.576 1.00 62.10 C ATOM 441 OE1 GLU B 7 9.055 11.556 -5.518 1.00 53.13 O ATOM 442 OE2 GLU B 7 8.729 9.638 -6.604 1.00 71.41 O ATOM 0 H GLU B 7 8.838 9.370 -1.777 1.00 70.31 H new ATOM 0 HA GLU B 7 6.239 10.612 -1.664 1.00 14.22 H new ATOM 0 HB2 GLU B 7 6.610 11.004 -4.048 1.00 44.12 H new ATOM 0 HB3 GLU B 7 8.013 11.484 -3.114 1.00 44.12 H new ATOM 0 HG2 GLU B 7 9.184 9.398 -3.694 1.00 20.51 H new ATOM 0 HG3 GLU B 7 7.753 8.767 -4.486 1.00 20.51 H new ATOM 449 N LYS B 8 6.620 7.570 -2.774 1.00 24.23 N ATOM 450 CA LYS B 8 5.912 6.364 -3.167 1.00 62.31 C ATOM 451 C LYS B 8 4.698 6.170 -2.256 1.00 32.23 C ATOM 452 O LYS B 8 3.619 5.808 -2.721 1.00 75.22 O ATOM 453 CB LYS B 8 6.863 5.166 -3.188 1.00 4.31 C ATOM 454 CG LYS B 8 6.345 4.070 -4.121 1.00 22.11 C ATOM 455 CD LYS B 8 6.931 4.223 -5.526 1.00 70.31 C ATOM 456 CE LYS B 8 6.253 3.269 -6.510 1.00 24.02 C ATOM 457 NZ LYS B 8 6.820 3.434 -7.868 1.00 24.05 N ATOM 0 H LYS B 8 7.622 7.448 -2.626 1.00 24.23 H new ATOM 0 HA LYS B 8 5.535 6.459 -4.185 1.00 62.31 H new ATOM 0 HB2 LYS B 8 7.852 5.488 -3.514 1.00 4.31 H new ATOM 0 HB3 LYS B 8 6.974 4.767 -2.180 1.00 4.31 H new ATOM 0 HG2 LYS B 8 6.607 3.091 -3.719 1.00 22.11 H new ATOM 0 HG3 LYS B 8 5.257 4.114 -4.170 1.00 22.11 H new ATOM 0 HD2 LYS B 8 6.806 5.251 -5.866 1.00 70.31 H new ATOM 0 HD3 LYS B 8 8.002 4.024 -5.501 1.00 70.31 H new ATOM 0 HE2 LYS B 8 6.385 2.240 -6.177 1.00 24.02 H new ATOM 0 HE3 LYS B 8 5.180 3.462 -6.532 1.00 24.02 H new ATOM 0 HZ1 LYS B 8 6.348 2.779 -8.523 1.00 24.05 H new ATOM 0 HZ2 LYS B 8 6.672 4.412 -8.190 1.00 24.05 H new ATOM 0 HZ3 LYS B 8 7.839 3.228 -7.846 1.00 24.05 H new ATOM 471 N ILE B 9 4.917 6.420 -0.973 1.00 1.01 N ATOM 472 CA ILE B 9 3.855 6.278 0.009 1.00 64.05 C ATOM 473 C ILE B 9 2.787 7.344 -0.243 1.00 43.13 C ATOM 474 O ILE B 9 1.592 7.055 -0.195 1.00 41.33 O ATOM 475 CB ILE B 9 4.428 6.304 1.427 1.00 4.13 C ATOM 476 CG1 ILE B 9 5.506 5.233 1.603 1.00 40.45 C ATOM 477 CG2 ILE B 9 3.316 6.175 2.471 1.00 12.41 C ATOM 478 CD1 ILE B 9 4.883 3.880 1.954 1.00 23.12 C ATOM 0 H ILE B 9 5.814 6.720 -0.591 1.00 1.01 H new ATOM 0 HA ILE B 9 3.368 5.308 -0.095 1.00 64.05 H new ATOM 0 HB ILE B 9 4.906 7.271 1.584 1.00 4.13 H new ATOM 0 HG12 ILE B 9 6.087 5.143 0.685 1.00 40.45 H new ATOM 0 HG13 ILE B 9 6.198 5.534 2.390 1.00 40.45 H new ATOM 0 HG21 ILE B 9 3.751 6.196 3.470 1.00 12.41 H new ATOM 0 HG22 ILE B 9 2.617 7.004 2.362 1.00 12.41 H new ATOM 0 HG23 ILE B 9 2.788 5.233 2.325 1.00 12.41 H new ATOM 0 HD11 ILE B 9 5.671 3.137 2.074 1.00 23.12 H new ATOM 0 HD12 ILE B 9 4.323 3.968 2.885 1.00 23.12 H new ATOM 0 HD13 ILE B 9 4.211 3.570 1.154 1.00 23.12 H new ATOM 490 N ALA B 10 3.256 8.555 -0.506 1.00 62.10 N ATOM 491 CA ALA B 10 2.356 9.666 -0.765 1.00 2.33 C ATOM 492 C ALA B 10 1.480 9.334 -1.974 1.00 32.40 C ATOM 493 O ALA B 10 0.349 9.807 -2.073 1.00 74.52 O ATOM 494 CB ALA B 10 3.171 10.945 -0.968 1.00 63.23 C ATOM 0 H ALA B 10 4.248 8.791 -0.545 1.00 62.10 H new ATOM 0 HA ALA B 10 1.695 9.832 0.085 1.00 2.33 H new ATOM 0 HB1 ALA B 10 2.497 11.779 -1.162 1.00 63.23 H new ATOM 0 HB2 ALA B 10 3.754 11.151 -0.070 1.00 63.23 H new ATOM 0 HB3 ALA B 10 3.844 10.817 -1.816 1.00 63.23 H new ATOM 500 N ALA B 11 2.034 8.525 -2.864 1.00 25.12 N ATOM 501 CA ALA B 11 1.317 8.124 -4.061 1.00 72.13 C ATOM 502 C ALA B 11 -0.044 7.545 -3.667 1.00 35.12 C ATOM 503 O ALA B 11 -1.080 8.003 -4.146 1.00 32.01 O ATOM 504 CB ALA B 11 2.165 7.131 -4.857 1.00 40.22 C ATOM 0 H ALA B 11 2.973 8.136 -2.780 1.00 25.12 H new ATOM 0 HA ALA B 11 1.135 8.985 -4.704 1.00 72.13 H new ATOM 0 HB1 ALA B 11 1.626 6.830 -5.755 1.00 40.22 H new ATOM 0 HB2 ALA B 11 3.107 7.601 -5.139 1.00 40.22 H new ATOM 0 HB3 ALA B 11 2.367 6.252 -4.244 1.00 40.22 H new ATOM 510 N LEU B 12 0.004 6.547 -2.797 1.00 51.41 N ATOM 511 CA LEU B 12 -1.211 5.900 -2.333 1.00 2.02 C ATOM 512 C LEU B 12 -1.914 6.810 -1.323 1.00 45.30 C ATOM 513 O LEU B 12 -3.140 6.809 -1.230 1.00 10.25 O ATOM 514 CB LEU B 12 -0.901 4.503 -1.791 1.00 3.10 C ATOM 515 CG LEU B 12 0.054 3.654 -2.633 1.00 21.14 C ATOM 516 CD1 LEU B 12 1.459 3.646 -2.027 1.00 34.14 C ATOM 517 CD2 LEU B 12 -0.494 2.239 -2.825 1.00 21.43 C ATOM 0 H LEU B 12 0.865 6.171 -2.401 1.00 51.41 H new ATOM 0 HA LEU B 12 -1.903 5.748 -3.162 1.00 2.02 H new ATOM 0 HB2 LEU B 12 -0.478 4.608 -0.792 1.00 3.10 H new ATOM 0 HB3 LEU B 12 -1.840 3.960 -1.684 1.00 3.10 H new ATOM 0 HG LEU B 12 0.131 4.106 -3.622 1.00 21.14 H new ATOM 0 HD11 LEU B 12 2.118 3.036 -2.644 1.00 34.14 H new ATOM 0 HD12 LEU B 12 1.843 4.665 -1.984 1.00 34.14 H new ATOM 0 HD13 LEU B 12 1.418 3.231 -1.020 1.00 34.14 H new ATOM 0 HD21 LEU B 12 0.204 1.657 -3.427 1.00 21.43 H new ATOM 0 HD22 LEU B 12 -0.620 1.762 -1.853 1.00 21.43 H new ATOM 0 HD23 LEU B 12 -1.457 2.288 -3.332 1.00 21.43 H new ATOM 529 N LYS B 13 -1.106 7.563 -0.592 1.00 12.23 N ATOM 530 CA LYS B 13 -1.634 8.476 0.407 1.00 21.34 C ATOM 531 C LYS B 13 -2.725 9.343 -0.225 1.00 0.31 C ATOM 532 O LYS B 13 -3.695 9.708 0.437 1.00 41.43 O ATOM 533 CB LYS B 13 -0.503 9.282 1.049 1.00 25.02 C ATOM 534 CG LYS B 13 -0.901 9.772 2.444 1.00 42.03 C ATOM 535 CD LYS B 13 0.219 9.518 3.454 1.00 4.02 C ATOM 536 CE LYS B 13 0.442 10.743 4.344 1.00 21.23 C ATOM 537 NZ LYS B 13 0.248 10.391 5.769 1.00 51.02 N ATOM 0 H LYS B 13 -0.089 7.560 -0.672 1.00 12.23 H new ATOM 0 HA LYS B 13 -2.100 7.920 1.221 1.00 21.34 H new ATOM 0 HB2 LYS B 13 0.393 8.666 1.118 1.00 25.02 H new ATOM 0 HB3 LYS B 13 -0.255 10.135 0.417 1.00 25.02 H new ATOM 0 HG2 LYS B 13 -1.128 10.837 2.408 1.00 42.03 H new ATOM 0 HG3 LYS B 13 -1.809 9.263 2.767 1.00 42.03 H new ATOM 0 HD2 LYS B 13 -0.032 8.656 4.072 1.00 4.02 H new ATOM 0 HD3 LYS B 13 1.141 9.274 2.926 1.00 4.02 H new ATOM 0 HE2 LYS B 13 1.449 11.131 4.193 1.00 21.23 H new ATOM 0 HE3 LYS B 13 -0.251 11.536 4.062 1.00 21.23 H new ATOM 0 HZ1 LYS B 13 0.403 11.233 6.359 1.00 51.02 H new ATOM 0 HZ2 LYS B 13 -0.721 10.042 5.912 1.00 51.02 H new ATOM 0 HZ3 LYS B 13 0.926 9.650 6.039 1.00 51.02 H new ATOM 551 N GLU B 14 -2.528 9.648 -1.499 1.00 52.21 N ATOM 552 CA GLU B 14 -3.481 10.466 -2.228 1.00 61.25 C ATOM 553 C GLU B 14 -4.686 9.624 -2.655 1.00 11.30 C ATOM 554 O GLU B 14 -5.824 10.087 -2.597 1.00 22.11 O ATOM 555 CB GLU B 14 -2.822 11.131 -3.439 1.00 2.11 C ATOM 556 CG GLU B 14 -3.245 12.596 -3.557 1.00 50.10 C ATOM 557 CD GLU B 14 -2.123 13.444 -4.160 1.00 13.53 C ATOM 558 OE1 GLU B 14 -2.007 13.429 -5.405 1.00 11.02 O ATOM 559 OE2 GLU B 14 -1.406 14.087 -3.363 1.00 44.21 O ATOM 0 H GLU B 14 -1.722 9.343 -2.045 1.00 52.21 H new ATOM 0 HA GLU B 14 -3.830 11.258 -1.565 1.00 61.25 H new ATOM 0 HB2 GLU B 14 -1.738 11.068 -3.348 1.00 2.11 H new ATOM 0 HB3 GLU B 14 -3.097 10.595 -4.347 1.00 2.11 H new ATOM 0 HG2 GLU B 14 -4.137 12.672 -4.179 1.00 50.10 H new ATOM 0 HG3 GLU B 14 -3.509 12.982 -2.573 1.00 50.10 H new ATOM 566 N LYS B 15 -4.394 8.401 -3.074 1.00 31.44 N ATOM 567 CA LYS B 15 -5.438 7.489 -3.510 1.00 34.01 C ATOM 568 C LYS B 15 -6.432 7.275 -2.366 1.00 44.34 C ATOM 569 O LYS B 15 -7.639 7.212 -2.592 1.00 24.25 O ATOM 570 CB LYS B 15 -4.829 6.193 -4.047 1.00 14.41 C ATOM 571 CG LYS B 15 -5.611 5.680 -5.258 1.00 2.02 C ATOM 572 CD LYS B 15 -4.831 5.912 -6.553 1.00 34.13 C ATOM 573 CE LYS B 15 -5.616 6.810 -7.511 1.00 70.42 C ATOM 574 NZ LYS B 15 -5.561 6.271 -8.889 1.00 51.31 N ATOM 0 H LYS B 15 -3.449 8.020 -3.121 1.00 31.44 H new ATOM 0 HA LYS B 15 -5.996 7.919 -4.342 1.00 34.01 H new ATOM 0 HB2 LYS B 15 -3.790 6.364 -4.327 1.00 14.41 H new ATOM 0 HB3 LYS B 15 -4.828 5.436 -3.263 1.00 14.41 H new ATOM 0 HG2 LYS B 15 -5.816 4.616 -5.139 1.00 2.02 H new ATOM 0 HG3 LYS B 15 -6.575 6.186 -5.314 1.00 2.02 H new ATOM 0 HD2 LYS B 15 -3.869 6.370 -6.325 1.00 34.13 H new ATOM 0 HD3 LYS B 15 -4.623 4.956 -7.033 1.00 34.13 H new ATOM 0 HE2 LYS B 15 -6.653 6.882 -7.184 1.00 70.42 H new ATOM 0 HE3 LYS B 15 -5.205 7.819 -7.492 1.00 70.42 H new ATOM 0 HZ1 LYS B 15 -6.099 6.892 -9.527 1.00 51.31 H new ATOM 0 HZ2 LYS B 15 -4.571 6.225 -9.204 1.00 51.31 H new ATOM 0 HZ3 LYS B 15 -5.975 5.317 -8.905 1.00 51.31 H new ATOM 588 N ILE B 16 -5.886 7.168 -1.164 1.00 35.02 N ATOM 589 CA ILE B 16 -6.709 6.962 0.016 1.00 41.50 C ATOM 590 C ILE B 16 -7.613 8.180 0.221 1.00 23.22 C ATOM 591 O ILE B 16 -8.755 8.042 0.657 1.00 12.31 O ATOM 592 CB ILE B 16 -5.835 6.633 1.228 1.00 32.54 C ATOM 593 CG1 ILE B 16 -4.893 5.466 0.925 1.00 0.01 C ATOM 594 CG2 ILE B 16 -6.694 6.370 2.467 1.00 12.24 C ATOM 595 CD1 ILE B 16 -3.615 5.563 1.759 1.00 42.43 C ATOM 0 H ILE B 16 -4.884 7.220 -0.981 1.00 35.02 H new ATOM 0 HA ILE B 16 -7.362 6.100 -0.120 1.00 41.50 H new ATOM 0 HB ILE B 16 -5.212 7.500 1.446 1.00 32.54 H new ATOM 0 HG12 ILE B 16 -5.398 4.523 1.135 1.00 0.01 H new ATOM 0 HG13 ILE B 16 -4.640 5.464 -0.135 1.00 0.01 H new ATOM 0 HG21 ILE B 16 -6.049 6.138 3.315 1.00 12.24 H new ATOM 0 HG22 ILE B 16 -7.287 7.256 2.694 1.00 12.24 H new ATOM 0 HG23 ILE B 16 -7.359 5.528 2.277 1.00 12.24 H new ATOM 0 HD11 ILE B 16 -2.963 4.722 1.525 1.00 42.43 H new ATOM 0 HD12 ILE B 16 -3.101 6.496 1.529 1.00 42.43 H new ATOM 0 HD13 ILE B 16 -3.869 5.540 2.819 1.00 42.43 H new ATOM 607 N ALA B 17 -7.067 9.343 -0.102 1.00 20.52 N ATOM 608 CA ALA B 17 -7.810 10.584 0.042 1.00 2.40 C ATOM 609 C ALA B 17 -9.117 10.484 -0.746 1.00 22.12 C ATOM 610 O ALA B 17 -10.108 11.122 -0.394 1.00 60.24 O ATOM 611 CB ALA B 17 -6.940 11.755 -0.416 1.00 13.02 C ATOM 0 H ALA B 17 -6.119 9.453 -0.463 1.00 20.52 H new ATOM 0 HA ALA B 17 -8.068 10.759 1.086 1.00 2.40 H new ATOM 0 HB1 ALA B 17 -7.497 12.686 -0.308 1.00 13.02 H new ATOM 0 HB2 ALA B 17 -6.038 11.799 0.195 1.00 13.02 H new ATOM 0 HB3 ALA B 17 -6.664 11.616 -1.461 1.00 13.02 H new ATOM 617 N ALA B 18 -9.077 9.679 -1.798 1.00 12.20 N ATOM 618 CA ALA B 18 -10.246 9.489 -2.639 1.00 64.44 C ATOM 619 C ALA B 18 -11.329 8.757 -1.843 1.00 1.21 C ATOM 620 O ALA B 18 -12.439 9.263 -1.688 1.00 32.14 O ATOM 621 CB ALA B 18 -9.845 8.733 -3.907 1.00 71.43 C ATOM 0 H ALA B 18 -8.253 9.151 -2.087 1.00 12.20 H new ATOM 0 HA ALA B 18 -10.656 10.450 -2.948 1.00 64.44 H new ATOM 0 HB1 ALA B 18 -10.722 8.590 -4.538 1.00 71.43 H new ATOM 0 HB2 ALA B 18 -9.096 9.308 -4.452 1.00 71.43 H new ATOM 0 HB3 ALA B 18 -9.431 7.762 -3.636 1.00 71.43 H new ATOM 627 N LEU B 19 -10.967 7.579 -1.358 1.00 0.31 N ATOM 628 CA LEU B 19 -11.893 6.772 -0.581 1.00 13.23 C ATOM 629 C LEU B 19 -12.442 7.608 0.577 1.00 30.32 C ATOM 630 O LEU B 19 -13.653 7.670 0.782 1.00 33.41 O ATOM 631 CB LEU B 19 -11.226 5.469 -0.136 1.00 70.34 C ATOM 632 CG LEU B 19 -12.065 4.560 0.765 1.00 11.11 C ATOM 633 CD1 LEU B 19 -12.084 5.082 2.203 1.00 13.45 C ATOM 634 CD2 LEU B 19 -13.476 4.380 0.202 1.00 30.22 C ATOM 0 H LEU B 19 -10.045 7.163 -1.488 1.00 0.31 H new ATOM 0 HA LEU B 19 -12.745 6.474 -1.193 1.00 13.23 H new ATOM 0 HB2 LEU B 19 -10.944 4.906 -1.026 1.00 70.34 H new ATOM 0 HB3 LEU B 19 -10.304 5.717 0.389 1.00 70.34 H new ATOM 0 HG LEU B 19 -11.599 3.575 0.785 1.00 11.11 H new ATOM 0 HD11 LEU B 19 -12.687 4.418 2.823 1.00 13.45 H new ATOM 0 HD12 LEU B 19 -11.066 5.116 2.591 1.00 13.45 H new ATOM 0 HD13 LEU B 19 -12.513 6.084 2.221 1.00 13.45 H new ATOM 0 HD21 LEU B 19 -14.051 3.730 0.862 1.00 30.22 H new ATOM 0 HD22 LEU B 19 -13.966 5.351 0.132 1.00 30.22 H new ATOM 0 HD23 LEU B 19 -13.418 3.931 -0.789 1.00 30.22 H new ATOM 646 N LYS B 20 -11.525 8.229 1.303 1.00 12.04 N ATOM 647 CA LYS B 20 -11.902 9.059 2.435 1.00 25.53 C ATOM 648 C LYS B 20 -12.956 10.074 1.989 1.00 61.41 C ATOM 649 O LYS B 20 -13.963 10.269 2.669 1.00 0.14 O ATOM 650 CB LYS B 20 -10.664 9.696 3.069 1.00 21.12 C ATOM 651 CG LYS B 20 -11.059 10.680 4.173 1.00 54.24 C ATOM 652 CD LYS B 20 -10.977 12.125 3.674 1.00 42.51 C ATOM 653 CE LYS B 20 -9.573 12.698 3.883 1.00 22.52 C ATOM 654 NZ LYS B 20 -9.647 14.136 4.223 1.00 11.32 N ATOM 0 H LYS B 20 -10.521 8.174 1.130 1.00 12.04 H new ATOM 0 HA LYS B 20 -12.355 8.451 3.218 1.00 25.53 H new ATOM 0 HB2 LYS B 20 -10.022 8.918 3.482 1.00 21.12 H new ATOM 0 HB3 LYS B 20 -10.085 10.214 2.305 1.00 21.12 H new ATOM 0 HG2 LYS B 20 -12.073 10.465 4.511 1.00 54.24 H new ATOM 0 HG3 LYS B 20 -10.402 10.550 5.033 1.00 54.24 H new ATOM 0 HD2 LYS B 20 -11.236 12.163 2.616 1.00 42.51 H new ATOM 0 HD3 LYS B 20 -11.707 12.738 4.203 1.00 42.51 H new ATOM 0 HE2 LYS B 20 -9.067 12.155 4.681 1.00 22.52 H new ATOM 0 HE3 LYS B 20 -8.980 12.562 2.979 1.00 22.52 H new ATOM 0 HZ1 LYS B 20 -8.686 14.510 4.362 1.00 11.32 H new ATOM 0 HZ2 LYS B 20 -10.111 14.652 3.449 1.00 11.32 H new ATOM 0 HZ3 LYS B 20 -10.196 14.258 5.098 1.00 11.32 H new ATOM 668 N GLU B 21 -12.690 10.694 0.849 1.00 73.15 N ATOM 669 CA GLU B 21 -13.602 11.684 0.304 1.00 73.22 C ATOM 670 C GLU B 21 -13.890 12.770 1.343 1.00 61.25 C ATOM 671 O GLU B 21 -14.884 13.487 1.238 1.00 21.43 O ATOM 672 CB GLU B 21 -14.898 11.029 -0.177 1.00 73.45 C ATOM 673 CG GLU B 21 -14.963 10.999 -1.706 1.00 74.33 C ATOM 674 CD GLU B 21 -15.965 12.029 -2.233 1.00 21.44 C ATOM 675 OE1 GLU B 21 -17.163 11.675 -2.295 1.00 53.41 O ATOM 676 OE2 GLU B 21 -15.511 13.146 -2.560 1.00 15.21 O ATOM 0 H GLU B 21 -11.855 10.529 0.287 1.00 73.15 H new ATOM 0 HA GLU B 21 -13.127 12.151 -0.559 1.00 73.22 H new ATOM 0 HB2 GLU B 21 -14.963 10.013 0.213 1.00 73.45 H new ATOM 0 HB3 GLU B 21 -15.754 11.577 0.216 1.00 73.45 H new ATOM 0 HG2 GLU B 21 -13.975 11.203 -2.120 1.00 74.33 H new ATOM 0 HG3 GLU B 21 -15.250 10.002 -2.042 1.00 74.33 H new TER 683 GLU B 21