USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 308 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.0156 (180deg=-0.184) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 2.232 0.028 1.239 1.00 13.00 N ATOM 2 CA GLY A 26 2.515 0.008 -0.222 1.00 45.03 C ATOM 3 C GLY A 26 3.035 -1.336 -0.694 1.00 32.52 C ATOM 4 O GLY A 26 4.058 -1.819 -0.206 1.00 31.04 O ATOM 0 HA2 GLY A 26 1.605 0.254 -0.769 1.00 45.03 H new ATOM 0 HA3 GLY A 26 3.247 0.780 -0.458 1.00 45.03 H new ATOM 10 N GLY A 27 2.330 -1.942 -1.643 1.00 44.11 N ATOM 11 CA GLY A 27 2.742 -3.232 -2.164 1.00 63.53 C ATOM 12 C GLY A 27 3.946 -3.133 -3.081 1.00 10.44 C ATOM 13 O GLY A 27 4.661 -4.115 -3.282 1.00 41.23 O ATOM 0 H GLY A 27 1.480 -1.563 -2.061 1.00 44.11 H new ATOM 0 HA2 GLY A 27 2.977 -3.897 -1.333 1.00 63.53 H new ATOM 0 HA3 GLY A 27 1.912 -3.682 -2.708 1.00 63.53 H new ATOM 17 N LEU A 28 4.175 -1.945 -3.639 1.00 75.43 N ATOM 18 CA LEU A 28 5.304 -1.726 -4.539 1.00 2.41 C ATOM 19 C LEU A 28 6.588 -2.295 -3.946 1.00 21.11 C ATOM 20 O LEU A 28 7.202 -3.197 -4.516 1.00 0.13 O ATOM 21 CB LEU A 28 5.479 -0.231 -4.821 1.00 11.11 C ATOM 22 CG LEU A 28 6.597 0.131 -5.807 1.00 31.11 C ATOM 23 CD1 LEU A 28 7.889 0.430 -5.065 1.00 51.43 C ATOM 24 CD2 LEU A 28 6.811 -0.985 -6.823 1.00 23.30 C ATOM 0 H LEU A 28 3.594 -1.121 -3.483 1.00 75.43 H new ATOM 0 HA LEU A 28 5.095 -2.243 -5.476 1.00 2.41 H new ATOM 0 HB2 LEU A 28 4.538 0.160 -5.207 1.00 11.11 H new ATOM 0 HB3 LEU A 28 5.673 0.278 -3.877 1.00 11.11 H new ATOM 0 HG LEU A 28 6.293 1.028 -6.347 1.00 31.11 H new ATOM 0 HD11 LEU A 28 8.670 0.685 -5.782 1.00 51.43 H new ATOM 0 HD12 LEU A 28 7.733 1.268 -4.386 1.00 51.43 H new ATOM 0 HD13 LEU A 28 8.192 -0.448 -4.495 1.00 51.43 H new ATOM 0 HD21 LEU A 28 7.609 -0.703 -7.510 1.00 23.30 H new ATOM 0 HD22 LEU A 28 7.087 -1.902 -6.303 1.00 23.30 H new ATOM 0 HD23 LEU A 28 5.890 -1.148 -7.383 1.00 23.30 H new ATOM 36 N LYS A 29 6.979 -1.772 -2.790 1.00 44.14 N ATOM 37 CA LYS A 29 8.179 -2.240 -2.111 1.00 2.12 C ATOM 38 C LYS A 29 8.047 -3.717 -1.756 1.00 21.25 C ATOM 39 O LYS A 29 9.044 -4.419 -1.592 1.00 3.13 O ATOM 40 CB LYS A 29 8.431 -1.417 -0.846 1.00 0.35 C ATOM 41 CG LYS A 29 7.266 -1.429 0.131 1.00 23.52 C ATOM 42 CD LYS A 29 7.488 -0.455 1.278 1.00 61.35 C ATOM 43 CE LYS A 29 6.248 0.383 1.547 1.00 44.55 C ATOM 44 NZ LYS A 29 6.145 0.779 2.979 1.00 62.10 N ATOM 0 H LYS A 29 6.483 -1.025 -2.305 1.00 44.14 H new ATOM 0 HA LYS A 29 9.027 -2.116 -2.785 1.00 2.12 H new ATOM 0 HB2 LYS A 29 9.319 -1.801 -0.344 1.00 0.35 H new ATOM 0 HB3 LYS A 29 8.646 -0.387 -1.130 1.00 0.35 H new ATOM 0 HG2 LYS A 29 6.347 -1.170 -0.395 1.00 23.52 H new ATOM 0 HG3 LYS A 29 7.133 -2.435 0.528 1.00 23.52 H new ATOM 0 HD2 LYS A 29 7.757 -1.007 2.178 1.00 61.35 H new ATOM 0 HD3 LYS A 29 8.327 0.200 1.043 1.00 61.35 H new ATOM 0 HE2 LYS A 29 6.272 1.277 0.924 1.00 44.55 H new ATOM 0 HE3 LYS A 29 5.360 -0.181 1.261 1.00 44.55 H new ATOM 0 HZ1 LYS A 29 5.287 1.349 3.121 1.00 62.10 H new ATOM 0 HZ2 LYS A 29 6.096 -0.074 3.572 1.00 62.10 H new ATOM 0 HZ3 LYS A 29 6.980 1.339 3.245 1.00 62.10 H new ATOM 58 N LYS A 30 6.805 -4.181 -1.644 1.00 13.10 N ATOM 59 CA LYS A 30 6.532 -5.574 -1.314 1.00 31.44 C ATOM 60 C LYS A 30 6.954 -6.492 -2.457 1.00 54.10 C ATOM 61 O LYS A 30 7.546 -7.547 -2.234 1.00 41.44 O ATOM 62 CB LYS A 30 5.043 -5.765 -1.016 1.00 73.45 C ATOM 63 CG LYS A 30 4.763 -6.848 0.013 1.00 63.24 C ATOM 64 CD LYS A 30 3.393 -7.473 -0.197 1.00 60.20 C ATOM 65 CE LYS A 30 3.373 -8.930 0.236 1.00 44.34 C ATOM 66 NZ LYS A 30 1.997 -9.500 0.202 1.00 50.55 N ATOM 0 H LYS A 30 5.971 -3.610 -1.778 1.00 13.10 H new ATOM 0 HA LYS A 30 7.110 -5.834 -0.427 1.00 31.44 H new ATOM 0 HB2 LYS A 30 4.628 -4.822 -0.661 1.00 73.45 H new ATOM 0 HB3 LYS A 30 4.524 -6.013 -1.942 1.00 73.45 H new ATOM 0 HG2 LYS A 30 5.530 -7.620 -0.051 1.00 63.24 H new ATOM 0 HG3 LYS A 30 4.821 -6.423 1.015 1.00 63.24 H new ATOM 0 HD2 LYS A 30 2.647 -6.914 0.368 1.00 60.20 H new ATOM 0 HD3 LYS A 30 3.117 -7.401 -1.249 1.00 60.20 H new ATOM 0 HE2 LYS A 30 4.023 -9.512 -0.417 1.00 44.34 H new ATOM 0 HE3 LYS A 30 3.776 -9.015 1.245 1.00 44.34 H new ATOM 0 HZ1 LYS A 30 2.026 -10.495 0.504 1.00 50.55 H new ATOM 0 HZ2 LYS A 30 1.382 -8.961 0.844 1.00 50.55 H new ATOM 0 HZ3 LYS A 30 1.621 -9.443 -0.766 1.00 50.55 H new ATOM 80 N LEU A 31 6.645 -6.079 -3.681 1.00 45.34 N ATOM 81 CA LEU A 31 6.991 -6.861 -4.861 1.00 20.04 C ATOM 82 C LEU A 31 8.440 -6.613 -5.270 1.00 60.44 C ATOM 83 O LEU A 31 9.152 -7.538 -5.663 1.00 72.04 O ATOM 84 CB LEU A 31 6.053 -6.515 -6.021 1.00 72.32 C ATOM 85 CG LEU A 31 6.142 -7.445 -7.234 1.00 10.14 C ATOM 86 CD1 LEU A 31 7.420 -7.184 -8.015 1.00 72.11 C ATOM 87 CD2 LEU A 31 6.070 -8.901 -6.798 1.00 10.23 C ATOM 0 H LEU A 31 6.155 -5.207 -3.882 1.00 45.34 H new ATOM 0 HA LEU A 31 6.877 -7.917 -4.615 1.00 20.04 H new ATOM 0 HB2 LEU A 31 5.027 -6.523 -5.652 1.00 72.32 H new ATOM 0 HB3 LEU A 31 6.266 -5.497 -6.348 1.00 72.32 H new ATOM 0 HG LEU A 31 5.293 -7.240 -7.886 1.00 10.14 H new ATOM 0 HD11 LEU A 31 7.465 -7.854 -8.873 1.00 72.11 H new ATOM 0 HD12 LEU A 31 7.430 -6.150 -8.361 1.00 72.11 H new ATOM 0 HD13 LEU A 31 8.282 -7.360 -7.371 1.00 72.11 H new ATOM 0 HD21 LEU A 31 6.135 -9.547 -7.674 1.00 10.23 H new ATOM 0 HD22 LEU A 31 6.898 -9.120 -6.124 1.00 10.23 H new ATOM 0 HD23 LEU A 31 5.126 -9.081 -6.284 1.00 10.23 H new ATOM 99 N GLY A 32 8.867 -5.359 -5.177 1.00 64.21 N ATOM 100 CA GLY A 32 10.228 -5.009 -5.540 1.00 75.45 C ATOM 101 C GLY A 32 11.262 -5.712 -4.683 1.00 42.33 C ATOM 102 O GLY A 32 12.414 -5.862 -5.088 1.00 54.51 O ATOM 0 H GLY A 32 8.295 -4.578 -4.857 1.00 64.21 H new ATOM 0 HA2 GLY A 32 10.397 -5.262 -6.587 1.00 75.45 H new ATOM 0 HA3 GLY A 32 10.358 -3.931 -5.448 1.00 75.45 H new ATOM 106 N LYS A 33 10.852 -6.143 -3.492 1.00 74.43 N ATOM 107 CA LYS A 33 11.755 -6.832 -2.577 1.00 75.54 C ATOM 108 C LYS A 33 11.521 -8.339 -2.612 1.00 62.13 C ATOM 109 O LYS A 33 12.463 -9.125 -2.513 1.00 23.40 O ATOM 110 CB LYS A 33 11.569 -6.309 -1.152 1.00 10.40 C ATOM 111 CG LYS A 33 12.471 -5.134 -0.812 1.00 52.22 C ATOM 112 CD LYS A 33 12.332 -4.730 0.646 1.00 20.53 C ATOM 113 CE LYS A 33 13.302 -3.617 1.011 1.00 53.01 C ATOM 114 NZ LYS A 33 12.748 -2.271 0.696 1.00 24.32 N ATOM 0 H LYS A 33 9.902 -6.027 -3.140 1.00 74.43 H new ATOM 0 HA LYS A 33 12.777 -6.634 -2.899 1.00 75.54 H new ATOM 0 HB2 LYS A 33 10.530 -6.009 -1.017 1.00 10.40 H new ATOM 0 HB3 LYS A 33 11.761 -7.119 -0.449 1.00 10.40 H new ATOM 0 HG2 LYS A 33 13.508 -5.398 -1.020 1.00 52.22 H new ATOM 0 HG3 LYS A 33 12.223 -4.286 -1.451 1.00 52.22 H new ATOM 0 HD2 LYS A 33 11.311 -4.401 0.838 1.00 20.53 H new ATOM 0 HD3 LYS A 33 12.513 -5.596 1.283 1.00 20.53 H new ATOM 0 HE2 LYS A 33 13.536 -3.673 2.074 1.00 53.01 H new ATOM 0 HE3 LYS A 33 14.238 -3.760 0.471 1.00 53.01 H new ATOM 0 HZ1 LYS A 33 13.440 -1.540 0.960 1.00 24.32 H new ATOM 0 HZ2 LYS A 33 12.549 -2.207 -0.323 1.00 24.32 H new ATOM 0 HZ3 LYS A 33 11.868 -2.124 1.231 1.00 24.32 H new ATOM 128 N LYS A 34 10.261 -8.735 -2.754 1.00 15.41 N ATOM 129 CA LYS A 34 9.905 -10.148 -2.801 1.00 54.53 C ATOM 130 C LYS A 34 10.509 -10.816 -4.031 1.00 72.32 C ATOM 131 O LYS A 34 11.265 -11.781 -3.918 1.00 74.34 O ATOM 132 CB LYS A 34 8.384 -10.314 -2.813 1.00 24.44 C ATOM 133 CG LYS A 34 7.928 -11.756 -2.656 1.00 75.02 C ATOM 134 CD LYS A 34 6.479 -11.836 -2.208 1.00 41.34 C ATOM 135 CE LYS A 34 6.135 -13.216 -1.671 1.00 52.20 C ATOM 136 NZ LYS A 34 4.786 -13.664 -2.111 1.00 30.10 N ATOM 0 H LYS A 34 9.469 -8.097 -2.839 1.00 15.41 H new ATOM 0 HA LYS A 34 10.308 -10.629 -1.910 1.00 54.53 H new ATOM 0 HB2 LYS A 34 7.955 -9.716 -2.008 1.00 24.44 H new ATOM 0 HB3 LYS A 34 7.991 -9.917 -3.749 1.00 24.44 H new ATOM 0 HG2 LYS A 34 8.046 -12.281 -3.604 1.00 75.02 H new ATOM 0 HG3 LYS A 34 8.563 -12.262 -1.929 1.00 75.02 H new ATOM 0 HD2 LYS A 34 6.294 -11.088 -1.437 1.00 41.34 H new ATOM 0 HD3 LYS A 34 5.825 -11.598 -3.046 1.00 41.34 H new ATOM 0 HE2 LYS A 34 6.883 -13.933 -2.008 1.00 52.20 H new ATOM 0 HE3 LYS A 34 6.175 -13.202 -0.582 1.00 52.20 H new ATOM 0 HZ1 LYS A 34 4.590 -14.609 -1.723 1.00 30.10 H new ATOM 0 HZ2 LYS A 34 4.069 -12.994 -1.768 1.00 30.10 H new ATOM 0 HZ3 LYS A 34 4.755 -13.703 -3.150 1.00 30.10 H new ATOM 150 N LEU A 35 10.172 -10.292 -5.204 1.00 12.32 N ATOM 151 CA LEU A 35 10.683 -10.833 -6.458 1.00 51.11 C ATOM 152 C LEU A 35 12.205 -10.762 -6.500 1.00 52.15 C ATOM 153 O LEU A 35 12.870 -11.715 -6.906 1.00 34.21 O ATOM 154 CB LEU A 35 10.097 -10.064 -7.645 1.00 4.41 C ATOM 155 CG LEU A 35 10.023 -10.844 -8.963 1.00 63.41 C ATOM 156 CD1 LEU A 35 9.810 -9.891 -10.128 1.00 41.31 C ATOM 157 CD2 LEU A 35 11.285 -11.670 -9.178 1.00 43.43 C ATOM 0 H LEU A 35 9.547 -9.493 -5.313 1.00 12.32 H new ATOM 0 HA LEU A 35 10.381 -11.878 -6.523 1.00 51.11 H new ATOM 0 HB2 LEU A 35 9.092 -9.733 -7.381 1.00 4.41 H new ATOM 0 HB3 LEU A 35 10.696 -9.167 -7.806 1.00 4.41 H new ATOM 0 HG LEU A 35 9.175 -11.527 -8.908 1.00 63.41 H new ATOM 0 HD11 LEU A 35 9.759 -10.458 -11.057 1.00 41.31 H new ATOM 0 HD12 LEU A 35 8.878 -9.344 -9.985 1.00 41.31 H new ATOM 0 HD13 LEU A 35 10.640 -9.186 -10.178 1.00 41.31 H new ATOM 0 HD21 LEU A 35 11.208 -12.214 -10.119 1.00 43.43 H new ATOM 0 HD22 LEU A 35 12.151 -11.009 -9.211 1.00 43.43 H new ATOM 0 HD23 LEU A 35 11.400 -12.379 -8.358 1.00 43.43 H new ATOM 169 N GLU A 36 12.748 -9.625 -6.081 1.00 74.53 N ATOM 170 CA GLU A 36 14.192 -9.425 -6.073 1.00 44.23 C ATOM 171 C GLU A 36 14.890 -10.504 -5.250 1.00 55.34 C ATOM 172 O GLU A 36 15.903 -11.062 -5.670 1.00 53.24 O ATOM 173 CB GLU A 36 14.533 -8.040 -5.517 1.00 23.21 C ATOM 174 CG GLU A 36 14.850 -7.015 -6.593 1.00 43.10 C ATOM 175 CD GLU A 36 16.312 -7.025 -6.995 1.00 25.42 C ATOM 176 OE1 GLU A 36 17.173 -7.142 -6.099 1.00 51.35 O ATOM 177 OE2 GLU A 36 16.595 -6.917 -8.207 1.00 23.41 O ATOM 0 H GLU A 36 12.210 -8.827 -5.742 1.00 74.53 H new ATOM 0 HA GLU A 36 14.548 -9.494 -7.101 1.00 44.23 H new ATOM 0 HB2 GLU A 36 13.695 -7.681 -4.920 1.00 23.21 H new ATOM 0 HB3 GLU A 36 15.388 -8.127 -4.846 1.00 23.21 H new ATOM 0 HG2 GLU A 36 14.234 -7.213 -7.471 1.00 43.10 H new ATOM 0 HG3 GLU A 36 14.583 -6.021 -6.233 1.00 43.10 H new ATOM 184 N GLY A 37 14.340 -10.793 -4.074 1.00 35.41 N ATOM 185 CA GLY A 37 14.922 -11.805 -3.211 1.00 4.50 C ATOM 186 C GLY A 37 15.039 -13.152 -3.895 1.00 13.03 C ATOM 187 O GLY A 37 16.086 -13.797 -3.834 1.00 32.14 O ATOM 0 H GLY A 37 13.502 -10.344 -3.704 1.00 35.41 H new ATOM 0 HA2 GLY A 37 15.910 -11.478 -2.888 1.00 4.50 H new ATOM 0 HA3 GLY A 37 14.311 -11.908 -2.314 1.00 4.50 H new ATOM 191 N ALA A 38 13.963 -13.577 -4.549 1.00 23.42 N ATOM 192 CA ALA A 38 13.951 -14.855 -5.250 1.00 14.13 C ATOM 193 C ALA A 38 14.757 -14.775 -6.540 1.00 23.25 C ATOM 194 O ALA A 38 15.556 -15.660 -6.841 1.00 33.34 O ATOM 195 CB ALA A 38 12.521 -15.282 -5.543 1.00 32.35 C ATOM 0 H ALA A 38 13.089 -13.055 -4.608 1.00 23.42 H new ATOM 0 HA ALA A 38 14.415 -15.602 -4.606 1.00 14.13 H new ATOM 0 HB1 ALA A 38 12.527 -16.238 -6.067 1.00 32.35 H new ATOM 0 HB2 ALA A 38 11.973 -15.385 -4.606 1.00 32.35 H new ATOM 0 HB3 ALA A 38 12.037 -14.530 -6.166 1.00 32.35 H new ATOM 201 N GLY A 39 14.548 -13.705 -7.297 1.00 65.15 N ATOM 202 CA GLY A 39 15.264 -13.522 -8.543 1.00 23.53 C ATOM 203 C GLY A 39 16.765 -13.531 -8.351 1.00 35.00 C ATOM 204 O GLY A 39 17.514 -13.820 -9.285 1.00 12.51 O ATOM 0 H GLY A 39 13.892 -12.958 -7.068 1.00 65.15 H new ATOM 0 HA2 GLY A 39 14.985 -14.313 -9.239 1.00 23.53 H new ATOM 0 HA3 GLY A 39 14.964 -12.577 -8.996 1.00 23.53 H new ATOM 208 N LYS A 40 17.210 -13.219 -7.136 1.00 33.04 N ATOM 209 CA LYS A 40 18.634 -13.201 -6.837 1.00 41.50 C ATOM 210 C LYS A 40 19.218 -14.602 -6.959 1.00 12.35 C ATOM 211 O LYS A 40 20.134 -14.838 -7.744 1.00 41.33 O ATOM 212 CB LYS A 40 18.886 -12.646 -5.434 1.00 13.11 C ATOM 213 CG LYS A 40 18.926 -11.127 -5.378 1.00 33.42 C ATOM 214 CD LYS A 40 20.353 -10.608 -5.276 1.00 11.12 C ATOM 215 CE LYS A 40 20.542 -9.720 -4.055 1.00 1.13 C ATOM 216 NZ LYS A 40 21.820 -10.011 -3.347 1.00 41.44 N ATOM 0 H LYS A 40 16.607 -12.977 -6.349 1.00 33.04 H new ATOM 0 HA LYS A 40 19.126 -12.550 -7.559 1.00 41.50 H new ATOM 0 HB2 LYS A 40 18.105 -13.005 -4.764 1.00 13.11 H new ATOM 0 HB3 LYS A 40 19.831 -13.040 -5.061 1.00 13.11 H new ATOM 0 HG2 LYS A 40 18.452 -10.717 -6.270 1.00 33.42 H new ATOM 0 HG3 LYS A 40 18.349 -10.779 -4.521 1.00 33.42 H new ATOM 0 HD2 LYS A 40 21.044 -11.450 -5.224 1.00 11.12 H new ATOM 0 HD3 LYS A 40 20.601 -10.046 -6.177 1.00 11.12 H new ATOM 0 HE2 LYS A 40 20.527 -8.674 -4.361 1.00 1.13 H new ATOM 0 HE3 LYS A 40 19.707 -9.863 -3.369 1.00 1.13 H new ATOM 0 HZ1 LYS A 40 21.910 -9.385 -2.522 1.00 41.44 H new ATOM 0 HZ2 LYS A 40 21.824 -11.002 -3.032 1.00 41.44 H new ATOM 0 HZ3 LYS A 40 22.619 -9.850 -3.993 1.00 41.44 H new ATOM 230 N ARG A 41 18.674 -15.541 -6.192 1.00 62.24 N ATOM 231 CA ARG A 41 19.151 -16.918 -6.248 1.00 64.24 C ATOM 232 C ARG A 41 18.958 -17.482 -7.654 1.00 51.43 C ATOM 233 O ARG A 41 19.611 -18.451 -8.043 1.00 42.54 O ATOM 234 CB ARG A 41 18.442 -17.800 -5.213 1.00 15.53 C ATOM 235 CG ARG A 41 16.927 -17.670 -5.209 1.00 64.05 C ATOM 236 CD ARG A 41 16.287 -18.511 -6.303 1.00 24.04 C ATOM 237 NE ARG A 41 15.547 -19.647 -5.757 1.00 61.41 N ATOM 238 CZ ARG A 41 15.194 -20.713 -6.471 1.00 20.04 C ATOM 239 NH1 ARG A 41 15.510 -20.793 -7.758 1.00 44.42 N ATOM 240 NH2 ARG A 41 14.523 -21.703 -5.897 1.00 11.24 N ATOM 0 H ARG A 41 17.913 -15.378 -5.533 1.00 62.24 H new ATOM 0 HA ARG A 41 20.214 -16.918 -6.007 1.00 64.24 H new ATOM 0 HB2 ARG A 41 18.705 -18.841 -5.400 1.00 15.53 H new ATOM 0 HB3 ARG A 41 18.819 -17.550 -4.221 1.00 15.53 H new ATOM 0 HG2 ARG A 41 16.538 -17.978 -4.239 1.00 64.05 H new ATOM 0 HG3 ARG A 41 16.651 -16.624 -5.346 1.00 64.05 H new ATOM 0 HD2 ARG A 41 15.613 -17.888 -6.892 1.00 24.04 H new ATOM 0 HD3 ARG A 41 17.060 -18.874 -6.981 1.00 24.04 H new ATOM 0 HE ARG A 41 15.286 -19.621 -4.771 1.00 61.41 H new ATOM 0 HH11 ARG A 41 16.026 -20.035 -8.205 1.00 44.42 H new ATOM 0 HH12 ARG A 41 15.237 -21.613 -8.300 1.00 44.42 H new ATOM 0 HH21 ARG A 41 14.278 -21.647 -4.909 1.00 11.24 H new ATOM 0 HH22 ARG A 41 14.252 -22.520 -6.444 1.00 11.24 H new ATOM 254 N VAL A 42 18.066 -16.853 -8.420 1.00 3.33 N ATOM 255 CA VAL A 42 17.793 -17.269 -9.787 1.00 44.41 C ATOM 256 C VAL A 42 18.849 -16.718 -10.731 1.00 65.13 C ATOM 257 O VAL A 42 19.416 -17.450 -11.541 1.00 40.51 O ATOM 258 CB VAL A 42 16.408 -16.787 -10.251 1.00 32.34 C ATOM 259 CG1 VAL A 42 16.142 -17.197 -11.693 1.00 4.25 C ATOM 260 CG2 VAL A 42 15.338 -17.329 -9.330 1.00 23.00 C ATOM 0 H VAL A 42 17.520 -16.049 -8.110 1.00 3.33 H new ATOM 0 HA VAL A 42 17.813 -18.359 -9.806 1.00 44.41 H new ATOM 0 HB VAL A 42 16.387 -15.698 -10.209 1.00 32.34 H new ATOM 0 HG11 VAL A 42 15.156 -16.844 -11.996 1.00 4.25 H new ATOM 0 HG12 VAL A 42 16.900 -16.758 -12.342 1.00 4.25 H new ATOM 0 HG13 VAL A 42 16.179 -18.283 -11.775 1.00 4.25 H new ATOM 0 HG21 VAL A 42 14.360 -16.983 -9.665 1.00 23.00 H new ATOM 0 HG22 VAL A 42 15.362 -18.419 -9.345 1.00 23.00 H new ATOM 0 HG23 VAL A 42 15.519 -16.976 -8.315 1.00 23.00 H new ATOM 270 N PHE A 43 19.116 -15.421 -10.611 1.00 71.21 N ATOM 271 CA PHE A 43 20.116 -14.772 -11.446 1.00 32.54 C ATOM 272 C PHE A 43 21.401 -15.592 -11.436 1.00 2.42 C ATOM 273 O PHE A 43 21.989 -15.864 -12.483 1.00 70.40 O ATOM 274 CB PHE A 43 20.355 -13.333 -10.957 1.00 33.42 C ATOM 275 CG PHE A 43 21.609 -13.137 -10.147 1.00 23.21 C ATOM 276 CD1 PHE A 43 22.856 -13.240 -10.736 1.00 23.55 C ATOM 277 CD2 PHE A 43 21.534 -12.841 -8.798 1.00 33.25 C ATOM 278 CE1 PHE A 43 24.007 -13.054 -9.993 1.00 43.10 C ATOM 279 CE2 PHE A 43 22.678 -12.652 -8.047 1.00 0.05 C ATOM 280 CZ PHE A 43 23.918 -12.759 -8.647 1.00 51.24 C ATOM 0 H PHE A 43 18.654 -14.802 -9.945 1.00 71.21 H new ATOM 0 HA PHE A 43 19.760 -14.716 -12.475 1.00 32.54 H new ATOM 0 HB2 PHE A 43 20.393 -12.672 -11.823 1.00 33.42 H new ATOM 0 HB3 PHE A 43 19.500 -13.023 -10.356 1.00 33.42 H new ATOM 0 HD1 PHE A 43 22.932 -13.468 -11.789 1.00 23.55 H new ATOM 0 HD2 PHE A 43 20.567 -12.756 -8.325 1.00 33.25 H new ATOM 0 HE1 PHE A 43 24.975 -13.139 -10.465 1.00 43.10 H new ATOM 0 HE2 PHE A 43 22.603 -12.421 -6.995 1.00 0.05 H new ATOM 0 HZ PHE A 43 24.816 -12.612 -8.065 1.00 51.24 H new ATOM 290 N LYS A 44 21.813 -16.006 -10.243 1.00 2.42 N ATOM 291 CA LYS A 44 23.005 -16.822 -10.091 1.00 13.33 C ATOM 292 C LYS A 44 22.743 -18.218 -10.643 1.00 24.41 C ATOM 293 O LYS A 44 23.650 -18.878 -11.151 1.00 14.35 O ATOM 294 CB LYS A 44 23.419 -16.902 -8.620 1.00 71.01 C ATOM 295 CG LYS A 44 24.905 -16.686 -8.394 1.00 11.34 C ATOM 296 CD LYS A 44 25.244 -16.642 -6.914 1.00 33.23 C ATOM 297 CE LYS A 44 25.250 -15.217 -6.386 1.00 23.02 C ATOM 298 NZ LYS A 44 26.414 -14.440 -6.896 1.00 65.34 N ATOM 0 H LYS A 44 21.336 -15.788 -9.368 1.00 2.42 H new ATOM 0 HA LYS A 44 23.821 -16.363 -10.649 1.00 13.33 H new ATOM 0 HB2 LYS A 44 22.862 -16.156 -8.053 1.00 71.01 H new ATOM 0 HB3 LYS A 44 23.138 -17.878 -8.225 1.00 71.01 H new ATOM 0 HG2 LYS A 44 25.467 -17.488 -8.873 1.00 11.34 H new ATOM 0 HG3 LYS A 44 25.214 -15.754 -8.867 1.00 11.34 H new ATOM 0 HD2 LYS A 44 24.519 -17.235 -6.356 1.00 33.23 H new ATOM 0 HD3 LYS A 44 26.221 -17.096 -6.750 1.00 33.23 H new ATOM 0 HE2 LYS A 44 24.325 -14.718 -6.677 1.00 23.02 H new ATOM 0 HE3 LYS A 44 25.274 -15.234 -5.296 1.00 23.02 H new ATOM 0 HZ1 LYS A 44 26.634 -13.669 -6.233 1.00 65.34 H new ATOM 0 HZ2 LYS A 44 27.239 -15.067 -6.984 1.00 65.34 H new ATOM 0 HZ3 LYS A 44 26.183 -14.040 -7.828 1.00 65.34 H new ATOM 312 N ALA A 45 21.487 -18.653 -10.553 1.00 64.40 N ATOM 313 CA ALA A 45 21.092 -19.960 -11.057 1.00 13.10 C ATOM 314 C ALA A 45 21.382 -20.063 -12.548 1.00 43.34 C ATOM 315 O ALA A 45 21.923 -21.063 -13.020 1.00 10.33 O ATOM 316 CB ALA A 45 19.615 -20.205 -10.781 1.00 62.54 C ATOM 0 H ALA A 45 20.727 -18.116 -10.135 1.00 64.40 H new ATOM 0 HA ALA A 45 21.673 -20.725 -10.541 1.00 13.10 H new ATOM 0 HB1 ALA A 45 19.331 -21.186 -11.163 1.00 62.54 H new ATOM 0 HB2 ALA A 45 19.435 -20.168 -9.707 1.00 62.54 H new ATOM 0 HB3 ALA A 45 19.020 -19.437 -11.276 1.00 62.54 H new ATOM 322 N SER A 46 21.025 -19.016 -13.286 1.00 13.54 N ATOM 323 CA SER A 46 21.256 -18.979 -14.724 1.00 51.13 C ATOM 324 C SER A 46 22.667 -18.486 -15.027 1.00 51.21 C ATOM 325 O SER A 46 23.303 -18.937 -15.979 1.00 52.00 O ATOM 326 CB SER A 46 20.229 -18.076 -15.408 1.00 25.23 C ATOM 327 OG SER A 46 20.637 -17.743 -16.723 1.00 61.34 O ATOM 0 H SER A 46 20.574 -18.182 -12.910 1.00 13.54 H new ATOM 0 HA SER A 46 21.148 -19.992 -15.113 1.00 51.13 H new ATOM 0 HB2 SER A 46 19.263 -18.579 -15.440 1.00 25.23 H new ATOM 0 HB3 SER A 46 20.095 -17.165 -14.824 1.00 25.23 H new ATOM 0 HG SER A 46 19.962 -17.166 -17.139 1.00 61.34 H new ATOM 333 N GLU A 47 23.151 -17.558 -14.205 1.00 32.45 N ATOM 334 CA GLU A 47 24.488 -17.003 -14.379 1.00 13.22 C ATOM 335 C GLU A 47 25.535 -18.112 -14.366 1.00 31.00 C ATOM 336 O GLU A 47 26.569 -18.012 -15.027 1.00 22.01 O ATOM 337 CB GLU A 47 24.789 -15.984 -13.278 1.00 75.13 C ATOM 338 CG GLU A 47 26.080 -15.212 -13.498 1.00 53.01 C ATOM 339 CD GLU A 47 25.955 -14.168 -14.590 1.00 74.33 C ATOM 340 OE1 GLU A 47 25.800 -14.554 -15.767 1.00 21.13 O ATOM 341 OE2 GLU A 47 26.011 -12.961 -14.266 1.00 75.32 O ATOM 0 H GLU A 47 22.636 -17.175 -13.412 1.00 32.45 H new ATOM 0 HA GLU A 47 24.527 -16.499 -15.345 1.00 13.22 H new ATOM 0 HB2 GLU A 47 23.961 -15.279 -13.211 1.00 75.13 H new ATOM 0 HB3 GLU A 47 24.844 -16.502 -12.321 1.00 75.13 H new ATOM 0 HG2 GLU A 47 26.372 -14.726 -12.567 1.00 53.01 H new ATOM 0 HG3 GLU A 47 26.877 -15.909 -13.756 1.00 53.01 H new ATOM 348 N LYS A 48 25.255 -19.172 -13.614 1.00 11.53 N ATOM 349 CA LYS A 48 26.169 -20.304 -13.521 1.00 71.42 C ATOM 350 C LYS A 48 26.169 -21.099 -14.821 1.00 61.02 C ATOM 351 O LYS A 48 27.184 -21.683 -15.203 1.00 1.53 O ATOM 352 CB LYS A 48 25.776 -21.211 -12.352 1.00 3.11 C ATOM 353 CG LYS A 48 26.963 -21.869 -11.667 1.00 75.31 C ATOM 354 CD LYS A 48 26.516 -22.866 -10.611 1.00 23.24 C ATOM 355 CE LYS A 48 26.519 -22.248 -9.223 1.00 72.22 C ATOM 356 NZ LYS A 48 26.789 -23.259 -8.163 1.00 64.03 N ATOM 0 H LYS A 48 24.404 -19.270 -13.061 1.00 11.53 H new ATOM 0 HA LYS A 48 27.174 -19.920 -13.347 1.00 71.42 H new ATOM 0 HB2 LYS A 48 25.223 -20.625 -11.618 1.00 3.11 H new ATOM 0 HB3 LYS A 48 25.101 -21.986 -12.715 1.00 3.11 H new ATOM 0 HG2 LYS A 48 27.578 -22.376 -12.410 1.00 75.31 H new ATOM 0 HG3 LYS A 48 27.587 -21.104 -11.205 1.00 75.31 H new ATOM 0 HD2 LYS A 48 25.514 -23.224 -10.848 1.00 23.24 H new ATOM 0 HD3 LYS A 48 27.176 -23.733 -10.625 1.00 23.24 H new ATOM 0 HE2 LYS A 48 27.275 -21.464 -9.177 1.00 72.22 H new ATOM 0 HE3 LYS A 48 25.556 -21.774 -9.035 1.00 72.22 H new ATOM 0 HZ1 LYS A 48 26.782 -22.796 -7.232 1.00 64.03 H new ATOM 0 HZ2 LYS A 48 26.054 -23.994 -8.189 1.00 64.03 H new ATOM 0 HZ3 LYS A 48 27.720 -23.694 -8.327 1.00 64.03 H new ATOM 370 N ALA A 49 25.026 -21.113 -15.501 1.00 22.54 N ATOM 371 CA ALA A 49 24.898 -21.829 -16.763 1.00 72.32 C ATOM 372 C ALA A 49 24.963 -20.883 -17.949 1.00 4.15 C ATOM 373 O ALA A 49 24.646 -21.275 -19.066 1.00 73.21 O ATOM 374 CB ALA A 49 23.604 -22.616 -16.806 1.00 63.25 C ATOM 0 H ALA A 49 24.177 -20.636 -15.198 1.00 22.54 H new ATOM 0 HA ALA A 49 25.738 -22.520 -16.829 1.00 72.32 H new ATOM 0 HB1 ALA A 49 23.530 -23.143 -17.757 1.00 63.25 H new ATOM 0 HB2 ALA A 49 23.590 -23.338 -15.990 1.00 63.25 H new ATOM 0 HB3 ALA A 49 22.760 -21.934 -16.702 1.00 63.25 H new ATOM 380 N LEU A 50 25.389 -19.639 -17.723 1.00 51.52 N ATOM 381 CA LEU A 50 25.494 -18.689 -18.824 1.00 54.43 C ATOM 382 C LEU A 50 26.386 -19.257 -19.915 1.00 62.22 C ATOM 383 O LEU A 50 26.054 -19.209 -21.091 1.00 34.44 O ATOM 384 CB LEU A 50 26.008 -17.326 -18.350 1.00 10.44 C ATOM 385 CG LEU A 50 26.264 -16.298 -19.452 1.00 62.32 C ATOM 386 CD1 LEU A 50 25.792 -14.919 -19.016 1.00 72.34 C ATOM 387 CD2 LEU A 50 27.742 -16.265 -19.816 1.00 45.11 C ATOM 0 H LEU A 50 25.660 -19.275 -16.810 1.00 51.52 H new ATOM 0 HA LEU A 50 24.495 -18.530 -19.231 1.00 54.43 H new ATOM 0 HB2 LEU A 50 25.285 -16.909 -17.649 1.00 10.44 H new ATOM 0 HB3 LEU A 50 26.935 -17.479 -17.798 1.00 10.44 H new ATOM 0 HG LEU A 50 25.697 -16.592 -20.335 1.00 62.32 H new ATOM 0 HD11 LEU A 50 25.982 -14.200 -19.813 1.00 72.34 H new ATOM 0 HD12 LEU A 50 24.723 -14.951 -18.803 1.00 72.34 H new ATOM 0 HD13 LEU A 50 26.332 -14.617 -18.118 1.00 72.34 H new ATOM 0 HD21 LEU A 50 27.907 -15.528 -20.602 1.00 45.11 H new ATOM 0 HD22 LEU A 50 28.327 -15.995 -18.937 1.00 45.11 H new ATOM 0 HD23 LEU A 50 28.052 -17.248 -20.170 1.00 45.11 H new ATOM 399 N PRO A 51 27.502 -19.864 -19.518 1.00 74.21 N ATOM 400 CA PRO A 51 28.422 -20.514 -20.444 1.00 53.03 C ATOM 401 C PRO A 51 27.741 -21.713 -21.094 1.00 23.02 C ATOM 402 O PRO A 51 28.101 -22.140 -22.192 1.00 42.24 O ATOM 403 CB PRO A 51 29.589 -20.980 -19.560 1.00 53.32 C ATOM 404 CG PRO A 51 29.353 -20.394 -18.204 1.00 71.42 C ATOM 405 CD PRO A 51 27.899 -20.019 -18.128 1.00 2.12 C ATOM 0 HA PRO A 51 28.748 -19.854 -21.248 1.00 53.03 H new ATOM 0 HB2 PRO A 51 29.629 -22.068 -19.511 1.00 53.32 H new ATOM 0 HB3 PRO A 51 30.543 -20.644 -19.967 1.00 53.32 H new ATOM 0 HG2 PRO A 51 29.606 -21.113 -17.425 1.00 71.42 H new ATOM 0 HG3 PRO A 51 29.984 -19.519 -18.048 1.00 71.42 H new ATOM 0 HD2 PRO A 51 27.313 -20.791 -17.629 1.00 2.12 H new ATOM 0 HD3 PRO A 51 27.754 -19.096 -17.566 1.00 2.12 H new ATOM 413 N VAL A 52 26.745 -22.242 -20.386 1.00 43.43 N ATOM 414 CA VAL A 52 25.974 -23.389 -20.844 1.00 13.15 C ATOM 415 C VAL A 52 24.680 -22.949 -21.516 1.00 74.11 C ATOM 416 O VAL A 52 23.997 -23.754 -22.142 1.00 41.32 O ATOM 417 CB VAL A 52 25.662 -24.328 -19.660 1.00 75.05 C ATOM 418 CG1 VAL A 52 24.627 -25.374 -20.032 1.00 60.54 C ATOM 419 CG2 VAL A 52 26.937 -24.985 -19.153 1.00 51.44 C ATOM 0 H VAL A 52 26.452 -21.884 -19.477 1.00 43.43 H new ATOM 0 HA VAL A 52 26.573 -23.926 -21.579 1.00 13.15 H new ATOM 0 HB VAL A 52 25.239 -23.723 -18.858 1.00 75.05 H new ATOM 0 HG11 VAL A 52 24.434 -26.016 -19.173 1.00 60.54 H new ATOM 0 HG12 VAL A 52 23.702 -24.881 -20.332 1.00 60.54 H new ATOM 0 HG13 VAL A 52 25.001 -25.977 -20.859 1.00 60.54 H new ATOM 0 HG21 VAL A 52 26.699 -25.644 -18.318 1.00 51.44 H new ATOM 0 HG22 VAL A 52 27.391 -25.566 -19.956 1.00 51.44 H new ATOM 0 HG23 VAL A 52 27.635 -24.217 -18.821 1.00 51.44 H new ATOM 429 N VAL A 53 24.367 -21.666 -21.401 1.00 73.23 N ATOM 430 CA VAL A 53 23.182 -21.100 -22.022 1.00 54.30 C ATOM 431 C VAL A 53 23.608 -20.284 -23.233 1.00 14.42 C ATOM 432 O VAL A 53 22.868 -20.145 -24.207 1.00 23.13 O ATOM 433 CB VAL A 53 22.398 -20.202 -21.043 1.00 72.01 C ATOM 434 CG1 VAL A 53 21.162 -19.623 -21.716 1.00 63.41 C ATOM 435 CG2 VAL A 53 22.017 -20.982 -19.792 1.00 52.11 C ATOM 0 H VAL A 53 24.926 -20.992 -20.877 1.00 73.23 H new ATOM 0 HA VAL A 53 22.524 -21.916 -22.320 1.00 54.30 H new ATOM 0 HB VAL A 53 23.041 -19.373 -20.747 1.00 72.01 H new ATOM 0 HG11 VAL A 53 20.624 -18.993 -21.008 1.00 63.41 H new ATOM 0 HG12 VAL A 53 21.462 -19.026 -22.577 1.00 63.41 H new ATOM 0 HG13 VAL A 53 20.513 -20.435 -22.046 1.00 63.41 H new ATOM 0 HG21 VAL A 53 21.465 -20.333 -19.113 1.00 52.11 H new ATOM 0 HG22 VAL A 53 21.393 -21.832 -20.069 1.00 52.11 H new ATOM 0 HG23 VAL A 53 22.920 -21.340 -19.298 1.00 52.11 H new ATOM 445 N VAL A 54 24.831 -19.764 -23.161 1.00 45.52 N ATOM 446 CA VAL A 54 25.407 -18.980 -24.234 1.00 62.32 C ATOM 447 C VAL A 54 25.990 -19.884 -25.294 1.00 14.15 C ATOM 448 O VAL A 54 25.832 -19.641 -26.482 1.00 44.31 O ATOM 449 CB VAL A 54 26.519 -18.044 -23.720 1.00 30.24 C ATOM 450 CG1 VAL A 54 26.006 -17.138 -22.611 1.00 64.25 C ATOM 451 CG2 VAL A 54 27.725 -18.845 -23.240 1.00 51.32 C ATOM 0 H VAL A 54 25.445 -19.878 -22.355 1.00 45.52 H new ATOM 0 HA VAL A 54 24.603 -18.377 -24.656 1.00 62.32 H new ATOM 0 HB VAL A 54 26.833 -17.415 -24.553 1.00 30.24 H new ATOM 0 HG11 VAL A 54 26.812 -16.489 -22.269 1.00 64.25 H new ATOM 0 HG12 VAL A 54 25.186 -16.528 -22.990 1.00 64.25 H new ATOM 0 HG13 VAL A 54 25.652 -17.746 -21.779 1.00 64.25 H new ATOM 0 HG21 VAL A 54 28.496 -18.163 -22.882 1.00 51.32 H new ATOM 0 HG22 VAL A 54 27.422 -19.508 -22.429 1.00 51.32 H new ATOM 0 HG23 VAL A 54 28.120 -19.438 -24.065 1.00 51.32 H new ATOM 461 N GLY A 55 26.667 -20.934 -24.853 1.00 14.13 N ATOM 462 CA GLY A 55 27.264 -21.868 -25.784 1.00 13.44 C ATOM 463 C GLY A 55 26.311 -22.258 -26.886 1.00 30.23 C ATOM 464 O GLY A 55 26.730 -22.560 -27.998 1.00 53.35 O ATOM 0 H GLY A 55 26.813 -21.155 -23.868 1.00 14.13 H new ATOM 0 HA2 GLY A 55 28.159 -21.423 -26.220 1.00 13.44 H new ATOM 0 HA3 GLY A 55 27.582 -22.762 -25.247 1.00 13.44 H new ATOM 468 N ILE A 56 25.022 -22.230 -26.582 1.00 1.10 N ATOM 469 CA ILE A 56 24.009 -22.567 -27.581 1.00 11.40 C ATOM 470 C ILE A 56 23.639 -21.323 -28.370 1.00 3.30 C ATOM 471 O ILE A 56 23.390 -21.383 -29.574 1.00 20.32 O ATOM 472 CB ILE A 56 22.734 -23.165 -26.953 1.00 2.25 C ATOM 473 CG1 ILE A 56 23.070 -23.936 -25.678 1.00 21.43 C ATOM 474 CG2 ILE A 56 22.024 -24.066 -27.952 1.00 24.12 C ATOM 475 CD1 ILE A 56 22.907 -23.109 -24.426 1.00 52.33 C ATOM 0 H ILE A 56 24.652 -21.981 -25.665 1.00 1.10 H new ATOM 0 HA ILE A 56 24.441 -23.325 -28.235 1.00 11.40 H new ATOM 0 HB ILE A 56 22.065 -22.346 -26.688 1.00 2.25 H new ATOM 0 HG12 ILE A 56 22.428 -24.815 -25.612 1.00 21.43 H new ATOM 0 HG13 ILE A 56 24.097 -24.295 -25.738 1.00 21.43 H new ATOM 0 HG21 ILE A 56 21.126 -24.481 -27.494 1.00 24.12 H new ATOM 0 HG22 ILE A 56 21.748 -23.486 -28.833 1.00 24.12 H new ATOM 0 HG23 ILE A 56 22.689 -24.878 -28.246 1.00 24.12 H new ATOM 0 HD11 ILE A 56 23.161 -23.713 -23.555 1.00 52.33 H new ATOM 0 HD12 ILE A 56 23.569 -22.244 -24.473 1.00 52.33 H new ATOM 0 HD13 ILE A 56 21.874 -22.771 -24.345 1.00 52.33 H new ATOM 487 N LYS A 57 23.631 -20.189 -27.682 1.00 24.42 N ATOM 488 CA LYS A 57 23.327 -18.919 -28.316 1.00 55.10 C ATOM 489 C LYS A 57 24.556 -18.419 -29.070 1.00 42.45 C ATOM 490 O LYS A 57 24.455 -17.608 -29.990 1.00 75.51 O ATOM 491 CB LYS A 57 22.887 -17.887 -27.272 1.00 45.45 C ATOM 492 CG LYS A 57 21.468 -17.384 -27.477 1.00 22.12 C ATOM 493 CD LYS A 57 21.356 -15.896 -27.187 1.00 33.13 C ATOM 494 CE LYS A 57 20.902 -15.639 -25.759 1.00 44.55 C ATOM 495 NZ LYS A 57 19.964 -14.486 -25.673 1.00 13.54 N ATOM 0 H LYS A 57 23.832 -20.126 -26.684 1.00 24.42 H new ATOM 0 HA LYS A 57 22.507 -19.061 -29.019 1.00 55.10 H new ATOM 0 HB2 LYS A 57 22.967 -18.330 -26.279 1.00 45.45 H new ATOM 0 HB3 LYS A 57 23.572 -17.039 -27.299 1.00 45.45 H new ATOM 0 HG2 LYS A 57 21.156 -17.580 -28.503 1.00 22.12 H new ATOM 0 HG3 LYS A 57 20.788 -17.935 -26.827 1.00 22.12 H new ATOM 0 HD2 LYS A 57 22.321 -15.418 -27.355 1.00 33.13 H new ATOM 0 HD3 LYS A 57 20.650 -15.441 -27.882 1.00 33.13 H new ATOM 0 HE2 LYS A 57 20.416 -16.532 -25.366 1.00 44.55 H new ATOM 0 HE3 LYS A 57 21.772 -15.447 -25.131 1.00 44.55 H new ATOM 0 HZ1 LYS A 57 19.678 -14.344 -24.683 1.00 13.54 H new ATOM 0 HZ2 LYS A 57 20.436 -13.628 -26.024 1.00 13.54 H new ATOM 0 HZ3 LYS A 57 19.122 -14.680 -26.252 1.00 13.54 H new ATOM 509 N ALA A 58 25.723 -18.915 -28.673 1.00 41.12 N ATOM 510 CA ALA A 58 26.967 -18.530 -29.311 1.00 42.31 C ATOM 511 C ALA A 58 27.260 -19.423 -30.514 1.00 54.22 C ATOM 512 O ALA A 58 28.027 -19.055 -31.404 1.00 21.14 O ATOM 513 CB ALA A 58 28.108 -18.574 -28.304 1.00 5.42 C ATOM 0 H ALA A 58 25.829 -19.585 -27.911 1.00 41.12 H new ATOM 0 HA ALA A 58 26.870 -17.507 -29.675 1.00 42.31 H new ATOM 0 HB1 ALA A 58 29.037 -18.283 -28.794 1.00 5.42 H new ATOM 0 HB2 ALA A 58 27.898 -17.885 -27.486 1.00 5.42 H new ATOM 0 HB3 ALA A 58 28.207 -19.586 -27.910 1.00 5.42 H new ATOM 519 N ILE A 59 26.650 -20.604 -30.524 1.00 61.12 N ATOM 520 CA ILE A 59 26.845 -21.563 -31.604 1.00 23.02 C ATOM 521 C ILE A 59 25.720 -21.510 -32.621 1.00 64.23 C ATOM 522 O ILE A 59 25.954 -21.527 -33.830 1.00 14.15 O ATOM 523 CB ILE A 59 26.954 -22.992 -31.049 1.00 41.23 C ATOM 524 CG1 ILE A 59 25.666 -23.409 -30.337 1.00 12.04 C ATOM 525 CG2 ILE A 59 28.128 -23.070 -30.102 1.00 52.13 C ATOM 526 CD1 ILE A 59 24.668 -24.100 -31.241 1.00 75.42 C ATOM 0 H ILE A 59 26.014 -20.920 -29.792 1.00 61.12 H new ATOM 0 HA ILE A 59 27.774 -21.289 -32.103 1.00 23.02 H new ATOM 0 HB ILE A 59 27.108 -23.680 -31.880 1.00 41.23 H new ATOM 0 HG12 ILE A 59 25.917 -24.075 -29.511 1.00 12.04 H new ATOM 0 HG13 ILE A 59 25.199 -22.525 -29.903 1.00 12.04 H new ATOM 0 HG21 ILE A 59 28.209 -24.082 -29.706 1.00 52.13 H new ATOM 0 HG22 ILE A 59 29.044 -22.815 -30.636 1.00 52.13 H new ATOM 0 HG23 ILE A 59 27.980 -22.369 -29.280 1.00 52.13 H new ATOM 0 HD11 ILE A 59 23.781 -24.366 -30.667 1.00 75.42 H new ATOM 0 HD12 ILE A 59 24.387 -23.429 -32.053 1.00 75.42 H new ATOM 0 HD13 ILE A 59 25.117 -25.003 -31.655 1.00 75.42 H new ATOM 538 N GLY A 60 24.501 -21.441 -32.123 1.00 10.41 N ATOM 539 CA GLY A 60 23.346 -21.381 -32.992 1.00 3.34 C ATOM 540 C GLY A 60 22.461 -20.201 -32.668 1.00 54.42 C ATOM 541 O GLY A 60 21.405 -20.021 -33.276 1.00 63.31 O ATOM 0 H GLY A 60 24.287 -21.425 -31.126 1.00 10.41 H new ATOM 0 HA2 GLY A 60 23.675 -21.315 -34.029 1.00 3.34 H new ATOM 0 HA3 GLY A 60 22.772 -22.303 -32.898 1.00 3.34 H new ATOM 545 N LYS A 61 22.890 -19.392 -31.702 1.00 0.22 N ATOM 546 CA LYS A 61 22.114 -18.218 -31.302 1.00 3.00 C ATOM 547 C LYS A 61 20.672 -18.599 -30.976 1.00 31.41 C ATOM 548 O LYS A 61 20.378 -19.812 -30.930 1.00 12.22 O ATOM 549 CB LYS A 61 22.135 -17.166 -32.412 1.00 21.42 C ATOM 550 CG LYS A 61 22.054 -15.737 -31.896 1.00 41.55 C ATOM 551 CD LYS A 61 20.971 -14.944 -32.609 1.00 21.54 C ATOM 552 CE LYS A 61 20.945 -13.496 -32.147 1.00 51.52 C ATOM 553 NZ LYS A 61 20.108 -13.319 -30.928 1.00 31.33 N ATOM 554 OXT LYS A 61 19.851 -17.681 -30.767 1.00 38.27 O ATOM 0 H LYS A 61 23.760 -19.524 -31.186 1.00 0.22 H new ATOM 0 HA LYS A 61 22.571 -17.802 -30.404 1.00 3.00 H new ATOM 0 HB2 LYS A 61 23.049 -17.282 -32.994 1.00 21.42 H new ATOM 0 HB3 LYS A 61 21.300 -17.347 -33.089 1.00 21.42 H new ATOM 0 HG2 LYS A 61 21.852 -15.747 -30.825 1.00 41.55 H new ATOM 0 HG3 LYS A 61 23.017 -15.245 -32.034 1.00 41.55 H new ATOM 0 HD2 LYS A 61 21.141 -14.981 -33.685 1.00 21.54 H new ATOM 0 HD3 LYS A 61 20.000 -15.404 -32.423 1.00 21.54 H new ATOM 0 HE2 LYS A 61 21.962 -13.162 -31.941 1.00 51.52 H new ATOM 0 HE3 LYS A 61 20.558 -12.866 -32.948 1.00 51.52 H new ATOM 0 HZ1 LYS A 61 20.115 -12.319 -30.644 1.00 31.33 H new ATOM 0 HZ2 LYS A 61 19.132 -13.614 -31.131 1.00 31.33 H new ATOM 0 HZ3 LYS A 61 20.492 -13.901 -30.156 1.00 31.33 H new TER 568 LYS A 61