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+ -117:sc=-0.00374 (180deg=-0.14) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0189 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 3.389 -0.116 1.175 1.00 13.00 N ATOM 2 CA GLY A 26 2.666 -0.460 -0.081 1.00 45.03 C ATOM 3 C GLY A 26 3.144 -1.767 -0.683 1.00 0.34 C ATOM 4 O GLY A 26 4.232 -2.246 -0.362 1.00 54.11 O ATOM 0 HA2 GLY A 26 1.598 -0.527 0.125 1.00 45.03 H new ATOM 0 HA3 GLY A 26 2.801 0.342 -0.806 1.00 45.03 H new ATOM 10 N GLY A 27 2.328 -2.346 -1.559 1.00 23.14 N ATOM 11 CA GLY A 27 2.691 -3.600 -2.193 1.00 54.32 C ATOM 12 C GLY A 27 3.677 -3.414 -3.331 1.00 11.01 C ATOM 13 O GLY A 27 4.396 -4.344 -3.694 1.00 72.51 O ATOM 0 H GLY A 27 1.423 -1.969 -1.841 1.00 23.14 H new ATOM 0 HA2 GLY A 27 3.123 -4.268 -1.448 1.00 54.32 H new ATOM 0 HA3 GLY A 27 1.791 -4.085 -2.572 1.00 54.32 H new ATOM 17 N LEU A 28 3.710 -2.209 -3.896 1.00 32.11 N ATOM 18 CA LEU A 28 4.615 -1.902 -5.004 1.00 35.45 C ATOM 19 C LEU A 28 6.023 -2.389 -4.708 1.00 52.14 C ATOM 20 O LEU A 28 6.557 -3.254 -5.402 1.00 41.45 O ATOM 21 CB LEU A 28 4.648 -0.392 -5.251 1.00 21.45 C ATOM 22 CG LEU A 28 4.490 0.482 -4.002 1.00 11.41 C ATOM 23 CD1 LEU A 28 5.424 1.680 -4.064 1.00 63.14 C ATOM 24 CD2 LEU A 28 3.047 0.934 -3.847 1.00 72.24 C ATOM 0 H LEU A 28 3.121 -1.429 -3.606 1.00 32.11 H new ATOM 0 HA LEU A 28 4.244 -2.414 -5.892 1.00 35.45 H new ATOM 0 HB2 LEU A 28 5.593 -0.140 -5.733 1.00 21.45 H new ATOM 0 HB3 LEU A 28 3.854 -0.138 -5.954 1.00 21.45 H new ATOM 0 HG LEU A 28 4.758 -0.114 -3.130 1.00 11.41 H new ATOM 0 HD11 LEU A 28 5.296 2.288 -3.168 1.00 63.14 H new ATOM 0 HD12 LEU A 28 6.456 1.334 -4.124 1.00 63.14 H new ATOM 0 HD13 LEU A 28 5.190 2.278 -4.945 1.00 63.14 H new ATOM 0 HD21 LEU A 28 2.954 1.553 -2.955 1.00 72.24 H new ATOM 0 HD22 LEU A 28 2.751 1.512 -4.723 1.00 72.24 H new ATOM 0 HD23 LEU A 28 2.401 0.061 -3.752 1.00 72.24 H new ATOM 36 N LYS A 29 6.607 -1.836 -3.659 1.00 31.33 N ATOM 37 CA LYS A 29 7.947 -2.217 -3.241 1.00 22.55 C ATOM 38 C LYS A 29 7.956 -3.667 -2.776 1.00 34.32 C ATOM 39 O LYS A 29 8.992 -4.332 -2.798 1.00 74.34 O ATOM 40 CB LYS A 29 8.436 -1.301 -2.117 1.00 50.43 C ATOM 41 CG LYS A 29 7.430 -1.131 -0.991 1.00 2.23 C ATOM 42 CD LYS A 29 8.101 -0.663 0.291 1.00 32.23 C ATOM 43 CE LYS A 29 8.343 -1.821 1.246 1.00 74.41 C ATOM 44 NZ LYS A 29 9.261 -1.442 2.357 1.00 63.42 N ATOM 0 H LYS A 29 6.173 -1.119 -3.078 1.00 31.33 H new ATOM 0 HA LYS A 29 8.621 -2.113 -4.092 1.00 22.55 H new ATOM 0 HB2 LYS A 29 9.362 -1.704 -1.708 1.00 50.43 H new ATOM 0 HB3 LYS A 29 8.671 -0.322 -2.534 1.00 50.43 H new ATOM 0 HG2 LYS A 29 6.668 -0.410 -1.288 1.00 2.23 H new ATOM 0 HG3 LYS A 29 6.920 -2.078 -0.811 1.00 2.23 H new ATOM 0 HD2 LYS A 29 9.050 -0.182 0.052 1.00 32.23 H new ATOM 0 HD3 LYS A 29 7.477 0.087 0.777 1.00 32.23 H new ATOM 0 HE2 LYS A 29 7.392 -2.156 1.659 1.00 74.41 H new ATOM 0 HE3 LYS A 29 8.766 -2.662 0.697 1.00 74.41 H new ATOM 0 HZ1 LYS A 29 9.400 -2.258 2.986 1.00 63.42 H new ATOM 0 HZ2 LYS A 29 10.178 -1.147 1.964 1.00 63.42 H new ATOM 0 HZ3 LYS A 29 8.846 -0.656 2.897 1.00 63.42 H new ATOM 58 N LYS A 30 6.789 -4.153 -2.359 1.00 30.25 N ATOM 59 CA LYS A 30 6.655 -5.526 -1.892 1.00 62.03 C ATOM 60 C LYS A 30 6.767 -6.506 -3.056 1.00 1.21 C ATOM 61 O LYS A 30 7.321 -7.596 -2.911 1.00 75.33 O ATOM 62 CB LYS A 30 5.316 -5.715 -1.177 1.00 13.40 C ATOM 63 CG LYS A 30 5.413 -6.572 0.076 1.00 51.20 C ATOM 64 CD LYS A 30 4.605 -5.982 1.220 1.00 41.44 C ATOM 65 CE LYS A 30 5.457 -5.077 2.096 1.00 53.45 C ATOM 66 NZ LYS A 30 5.178 -5.284 3.544 1.00 74.43 N ATOM 0 H LYS A 30 5.923 -3.614 -2.336 1.00 30.25 H new ATOM 0 HA LYS A 30 7.464 -5.728 -1.190 1.00 62.03 H new ATOM 0 HB2 LYS A 30 4.915 -4.737 -0.909 1.00 13.40 H new ATOM 0 HB3 LYS A 30 4.606 -6.172 -1.866 1.00 13.40 H new ATOM 0 HG2 LYS A 30 5.055 -7.578 -0.142 1.00 51.20 H new ATOM 0 HG3 LYS A 30 6.457 -6.663 0.376 1.00 51.20 H new ATOM 0 HD2 LYS A 30 3.765 -5.415 0.819 1.00 41.44 H new ATOM 0 HD3 LYS A 30 4.187 -6.787 1.825 1.00 41.44 H new ATOM 0 HE2 LYS A 30 6.512 -5.268 1.898 1.00 53.45 H new ATOM 0 HE3 LYS A 30 5.268 -4.036 1.835 1.00 53.45 H new ATOM 0 HZ1 LYS A 30 5.779 -4.649 4.108 1.00 74.43 H new ATOM 0 HZ2 LYS A 30 4.177 -5.077 3.738 1.00 74.43 H new ATOM 0 HZ3 LYS A 30 5.383 -6.271 3.799 1.00 74.43 H new ATOM 80 N LEU A 31 6.238 -6.111 -4.210 1.00 24.13 N ATOM 81 CA LEU A 31 6.279 -6.957 -5.398 1.00 62.53 C ATOM 82 C LEU A 31 7.625 -6.834 -6.107 1.00 4.45 C ATOM 83 O LEU A 31 8.198 -7.829 -6.549 1.00 64.23 O ATOM 84 CB LEU A 31 5.147 -6.580 -6.357 1.00 5.03 C ATOM 85 CG LEU A 31 4.900 -7.571 -7.497 1.00 51.14 C ATOM 86 CD1 LEU A 31 6.014 -7.488 -8.530 1.00 33.34 C ATOM 87 CD2 LEU A 31 4.777 -8.988 -6.956 1.00 1.14 C ATOM 0 H LEU A 31 5.777 -5.212 -4.348 1.00 24.13 H new ATOM 0 HA LEU A 31 6.149 -7.992 -5.082 1.00 62.53 H new ATOM 0 HB2 LEU A 31 4.226 -6.475 -5.783 1.00 5.03 H new ATOM 0 HB3 LEU A 31 5.368 -5.603 -6.788 1.00 5.03 H new ATOM 0 HG LEU A 31 3.961 -7.306 -7.984 1.00 51.14 H new ATOM 0 HD11 LEU A 31 5.820 -8.200 -9.332 1.00 33.34 H new ATOM 0 HD12 LEU A 31 6.054 -6.480 -8.942 1.00 33.34 H new ATOM 0 HD13 LEU A 31 6.967 -7.725 -8.057 1.00 33.34 H new ATOM 0 HD21 LEU A 31 4.602 -9.678 -7.781 1.00 1.14 H new ATOM 0 HD22 LEU A 31 5.698 -9.263 -6.443 1.00 1.14 H new ATOM 0 HD23 LEU A 31 3.943 -9.039 -6.256 1.00 1.14 H new ATOM 99 N GLY A 32 8.121 -5.606 -6.213 1.00 33.13 N ATOM 100 CA GLY A 32 9.393 -5.374 -6.870 1.00 41.23 C ATOM 101 C GLY A 32 10.565 -5.961 -6.106 1.00 73.13 C ATOM 102 O GLY A 32 11.625 -6.210 -6.681 1.00 32.31 O ATOM 0 H GLY A 32 7.664 -4.767 -5.855 1.00 33.13 H new ATOM 0 HA2 GLY A 32 9.364 -5.806 -7.870 1.00 41.23 H new ATOM 0 HA3 GLY A 32 9.544 -4.301 -6.990 1.00 41.23 H new ATOM 106 N LYS A 33 10.380 -6.179 -4.808 1.00 43.10 N ATOM 107 CA LYS A 33 11.434 -6.738 -3.969 1.00 30.22 C ATOM 108 C LYS A 33 11.263 -8.246 -3.797 1.00 51.03 C ATOM 109 O LYS A 33 12.227 -8.959 -3.516 1.00 20.43 O ATOM 110 CB LYS A 33 11.440 -6.054 -2.600 1.00 40.32 C ATOM 111 CG LYS A 33 12.803 -6.054 -1.927 1.00 13.43 C ATOM 112 CD LYS A 33 12.854 -5.063 -0.775 1.00 13.35 C ATOM 113 CE LYS A 33 13.754 -5.559 0.346 1.00 33.13 C ATOM 114 NZ LYS A 33 15.118 -4.969 0.265 1.00 5.40 N ATOM 0 H LYS A 33 9.510 -5.977 -4.314 1.00 43.10 H new ATOM 0 HA LYS A 33 12.388 -6.558 -4.465 1.00 30.22 H new ATOM 0 HB2 LYS A 33 11.101 -5.025 -2.716 1.00 40.32 H new ATOM 0 HB3 LYS A 33 10.723 -6.555 -1.950 1.00 40.32 H new ATOM 0 HG2 LYS A 33 13.028 -7.055 -1.558 1.00 13.43 H new ATOM 0 HG3 LYS A 33 13.571 -5.804 -2.658 1.00 13.43 H new ATOM 0 HD2 LYS A 33 13.218 -4.101 -1.137 1.00 13.35 H new ATOM 0 HD3 LYS A 33 11.848 -4.899 -0.390 1.00 13.35 H new ATOM 0 HE2 LYS A 33 13.307 -5.309 1.308 1.00 33.13 H new ATOM 0 HE3 LYS A 33 13.825 -6.646 0.300 1.00 33.13 H new ATOM 0 HZ1 LYS A 33 15.700 -5.332 1.046 1.00 5.40 H new ATOM 0 HZ2 LYS A 33 15.555 -5.229 -0.642 1.00 5.40 H new ATOM 0 HZ3 LYS A 33 15.053 -3.933 0.334 1.00 5.40 H new ATOM 128 N LYS A 34 10.034 -8.726 -3.964 1.00 74.33 N ATOM 129 CA LYS A 34 9.746 -10.149 -3.824 1.00 13.41 C ATOM 130 C LYS A 34 10.410 -10.950 -4.939 1.00 22.53 C ATOM 131 O LYS A 34 11.243 -11.818 -4.684 1.00 74.45 O ATOM 132 CB LYS A 34 8.235 -10.389 -3.841 1.00 33.14 C ATOM 133 CG LYS A 34 7.847 -11.836 -3.591 1.00 62.24 C ATOM 134 CD LYS A 34 8.206 -12.275 -2.181 1.00 62.44 C ATOM 135 CE LYS A 34 7.389 -11.525 -1.140 1.00 50.22 C ATOM 136 NZ LYS A 34 6.981 -12.408 -0.013 1.00 71.03 N ATOM 0 H LYS A 34 9.224 -8.152 -4.196 1.00 74.33 H new ATOM 0 HA LYS A 34 10.150 -10.484 -2.869 1.00 13.41 H new ATOM 0 HB2 LYS A 34 7.767 -9.760 -3.084 1.00 33.14 H new ATOM 0 HB3 LYS A 34 7.837 -10.076 -4.806 1.00 33.14 H new ATOM 0 HG2 LYS A 34 6.776 -11.959 -3.749 1.00 62.24 H new ATOM 0 HG3 LYS A 34 8.352 -12.479 -4.313 1.00 62.24 H new ATOM 0 HD2 LYS A 34 8.034 -13.346 -2.077 1.00 62.44 H new ATOM 0 HD3 LYS A 34 9.268 -12.104 -2.004 1.00 62.44 H new ATOM 0 HE2 LYS A 34 7.973 -10.689 -0.754 1.00 50.22 H new ATOM 0 HE3 LYS A 34 6.501 -11.103 -1.610 1.00 50.22 H new ATOM 0 HZ1 LYS A 34 6.426 -11.859 0.675 1.00 71.03 H new ATOM 0 HZ2 LYS A 34 6.403 -13.192 -0.378 1.00 71.03 H new ATOM 0 HZ3 LYS A 34 7.829 -12.791 0.453 1.00 71.03 H new ATOM 150 N LEU A 35 10.030 -10.649 -6.176 1.00 72.02 N ATOM 151 CA LEU A 35 10.585 -11.340 -7.336 1.00 43.41 C ATOM 152 C LEU A 35 12.090 -11.116 -7.435 1.00 1.33 C ATOM 153 O LEU A 35 12.854 -12.053 -7.664 1.00 20.13 O ATOM 154 CB LEU A 35 9.905 -10.853 -8.617 1.00 64.15 C ATOM 155 CG LEU A 35 9.892 -11.854 -9.777 1.00 12.34 C ATOM 156 CD1 LEU A 35 9.546 -11.149 -11.079 1.00 22.24 C ATOM 157 CD2 LEU A 35 11.236 -12.559 -9.898 1.00 4.41 C ATOM 0 H LEU A 35 9.341 -9.932 -6.402 1.00 72.02 H new ATOM 0 HA LEU A 35 10.400 -12.407 -7.214 1.00 43.41 H new ATOM 0 HB2 LEU A 35 8.876 -10.583 -8.381 1.00 64.15 H new ATOM 0 HB3 LEU A 35 10.405 -9.944 -8.950 1.00 64.15 H new ATOM 0 HG LEU A 35 9.129 -12.605 -9.572 1.00 12.34 H new ATOM 0 HD11 LEU A 35 9.541 -11.873 -11.894 1.00 22.24 H new ATOM 0 HD12 LEU A 35 8.561 -10.691 -10.994 1.00 22.24 H new ATOM 0 HD13 LEU A 35 10.288 -10.378 -11.284 1.00 22.24 H new ATOM 0 HD21 LEU A 35 11.203 -13.265 -10.728 1.00 4.41 H new ATOM 0 HD22 LEU A 35 12.018 -11.822 -10.079 1.00 4.41 H new ATOM 0 HD23 LEU A 35 11.450 -13.096 -8.974 1.00 4.41 H new ATOM 169 N GLU A 36 12.507 -9.865 -7.267 1.00 21.35 N ATOM 170 CA GLU A 36 13.920 -9.512 -7.344 1.00 24.11 C ATOM 171 C GLU A 36 14.749 -10.345 -6.370 1.00 53.43 C ATOM 172 O GLU A 36 15.851 -10.785 -6.698 1.00 62.53 O ATOM 173 CB GLU A 36 14.111 -8.022 -7.050 1.00 51.11 C ATOM 174 CG GLU A 36 14.179 -7.160 -8.299 1.00 12.24 C ATOM 175 CD GLU A 36 15.560 -7.151 -8.926 1.00 31.12 C ATOM 176 OE1 GLU A 36 16.161 -8.238 -9.054 1.00 13.53 O ATOM 177 OE2 GLU A 36 16.041 -6.056 -9.286 1.00 24.13 O ATOM 0 H GLU A 36 11.886 -9.079 -7.077 1.00 21.35 H new ATOM 0 HA GLU A 36 14.265 -9.725 -8.356 1.00 24.11 H new ATOM 0 HB2 GLU A 36 13.289 -7.675 -6.424 1.00 51.11 H new ATOM 0 HB3 GLU A 36 15.028 -7.888 -6.476 1.00 51.11 H new ATOM 0 HG2 GLU A 36 13.455 -7.525 -9.028 1.00 12.24 H new ATOM 0 HG3 GLU A 36 13.891 -6.139 -8.048 1.00 12.24 H new ATOM 184 N GLY A 37 14.213 -10.557 -5.172 1.00 22.12 N ATOM 185 CA GLY A 37 14.919 -11.336 -4.170 1.00 53.22 C ATOM 186 C GLY A 37 15.356 -12.692 -4.688 1.00 52.24 C ATOM 187 O GLY A 37 16.467 -13.142 -4.407 1.00 0.04 O ATOM 0 H GLY A 37 13.303 -10.204 -4.877 1.00 22.12 H new ATOM 0 HA2 GLY A 37 15.794 -10.780 -3.833 1.00 53.22 H new ATOM 0 HA3 GLY A 37 14.275 -11.473 -3.301 1.00 53.22 H new ATOM 191 N ALA A 38 14.481 -13.344 -5.448 1.00 74.13 N ATOM 192 CA ALA A 38 14.787 -14.653 -6.008 1.00 21.33 C ATOM 193 C ALA A 38 15.886 -14.549 -7.059 1.00 0.04 C ATOM 194 O ALA A 38 16.842 -15.324 -7.053 1.00 70.03 O ATOM 195 CB ALA A 38 13.535 -15.277 -6.607 1.00 61.03 C ATOM 0 H ALA A 38 13.556 -12.987 -5.689 1.00 74.13 H new ATOM 0 HA ALA A 38 15.146 -15.295 -5.203 1.00 21.33 H new ATOM 0 HB1 ALA A 38 13.779 -16.255 -7.022 1.00 61.03 H new ATOM 0 HB2 ALA A 38 12.778 -15.390 -5.831 1.00 61.03 H new ATOM 0 HB3 ALA A 38 13.150 -14.633 -7.398 1.00 61.03 H new ATOM 201 N GLY A 39 15.741 -13.583 -7.960 1.00 32.14 N ATOM 202 CA GLY A 39 16.725 -13.387 -9.008 1.00 24.41 C ATOM 203 C GLY A 39 18.123 -13.175 -8.462 1.00 45.13 C ATOM 204 O GLY A 39 19.100 -13.642 -9.049 1.00 11.25 O ATOM 0 H GLY A 39 14.957 -12.931 -7.983 1.00 32.14 H new ATOM 0 HA2 GLY A 39 16.724 -14.254 -9.669 1.00 24.41 H new ATOM 0 HA3 GLY A 39 16.440 -12.526 -9.612 1.00 24.41 H new ATOM 208 N LYS A 40 18.226 -12.473 -7.337 1.00 14.35 N ATOM 209 CA LYS A 40 19.524 -12.213 -6.723 1.00 45.43 C ATOM 210 C LYS A 40 20.181 -13.518 -6.297 1.00 45.22 C ATOM 211 O LYS A 40 21.395 -13.670 -6.398 1.00 72.31 O ATOM 212 CB LYS A 40 19.384 -11.284 -5.515 1.00 30.43 C ATOM 213 CG LYS A 40 18.340 -10.191 -5.696 1.00 55.11 C ATOM 214 CD LYS A 40 18.906 -8.817 -5.373 1.00 14.20 C ATOM 215 CE LYS A 40 18.992 -8.587 -3.873 1.00 32.30 C ATOM 216 NZ LYS A 40 20.353 -8.874 -3.343 1.00 12.24 N ATOM 0 H LYS A 40 17.432 -12.076 -6.835 1.00 14.35 H new ATOM 0 HA LYS A 40 20.153 -11.722 -7.466 1.00 45.43 H new ATOM 0 HB2 LYS A 40 19.125 -11.879 -4.639 1.00 30.43 H new ATOM 0 HB3 LYS A 40 20.349 -10.821 -5.311 1.00 30.43 H new ATOM 0 HG2 LYS A 40 17.975 -10.202 -6.723 1.00 55.11 H new ATOM 0 HG3 LYS A 40 17.485 -10.394 -5.051 1.00 55.11 H new ATOM 0 HD2 LYS A 40 19.898 -8.718 -5.814 1.00 14.20 H new ATOM 0 HD3 LYS A 40 18.278 -8.049 -5.824 1.00 14.20 H new ATOM 0 HE2 LYS A 40 18.726 -7.554 -3.649 1.00 32.30 H new ATOM 0 HE3 LYS A 40 18.264 -9.221 -3.366 1.00 32.30 H new ATOM 0 HZ1 LYS A 40 20.304 -9.665 -2.669 1.00 12.24 H new ATOM 0 HZ2 LYS A 40 20.985 -9.128 -4.129 1.00 12.24 H new ATOM 0 HZ3 LYS A 40 20.723 -8.030 -2.860 1.00 12.24 H new ATOM 230 N ARG A 41 19.370 -14.460 -5.828 1.00 3.02 N ATOM 231 CA ARG A 41 19.872 -15.761 -5.400 1.00 60.34 C ATOM 232 C ARG A 41 20.066 -16.676 -6.606 1.00 33.20 C ATOM 233 O ARG A 41 21.128 -17.266 -6.794 1.00 74.11 O ATOM 234 CB ARG A 41 18.897 -16.406 -4.408 1.00 50.23 C ATOM 235 CG ARG A 41 19.214 -17.861 -4.090 1.00 1.22 C ATOM 236 CD ARG A 41 18.620 -18.805 -5.128 1.00 11.42 C ATOM 237 NE ARG A 41 18.332 -20.123 -4.567 1.00 43.21 N ATOM 238 CZ ARG A 41 17.887 -21.152 -5.284 1.00 72.22 C ATOM 239 NH1 ARG A 41 17.675 -21.021 -6.588 1.00 11.10 N ATOM 240 NH2 ARG A 41 17.653 -22.318 -4.695 1.00 72.43 N ATOM 0 H ARG A 41 18.361 -14.347 -5.734 1.00 3.02 H new ATOM 0 HA ARG A 41 20.834 -15.616 -4.908 1.00 60.34 H new ATOM 0 HB2 ARG A 41 18.904 -15.832 -3.481 1.00 50.23 H new ATOM 0 HB3 ARG A 41 17.887 -16.345 -4.814 1.00 50.23 H new ATOM 0 HG2 ARG A 41 20.295 -17.998 -4.049 1.00 1.22 H new ATOM 0 HG3 ARG A 41 18.823 -18.112 -3.104 1.00 1.22 H new ATOM 0 HD2 ARG A 41 17.703 -18.373 -5.528 1.00 11.42 H new ATOM 0 HD3 ARG A 41 19.314 -18.910 -5.962 1.00 11.42 H new ATOM 0 HE ARG A 41 18.481 -20.263 -3.568 1.00 43.21 H new ATOM 0 HH11 ARG A 41 17.853 -20.127 -7.046 1.00 11.10 H new ATOM 0 HH12 ARG A 41 17.334 -21.814 -7.131 1.00 11.10 H new ATOM 0 HH21 ARG A 41 17.814 -22.425 -3.694 1.00 72.43 H new ATOM 0 HH22 ARG A 41 17.312 -23.107 -5.244 1.00 72.43 H new ATOM 254 N VAL A 42 19.014 -16.791 -7.407 1.00 4.43 N ATOM 255 CA VAL A 42 19.027 -17.635 -8.595 1.00 34.24 C ATOM 256 C VAL A 42 20.149 -17.253 -9.549 1.00 25.03 C ATOM 257 O VAL A 42 20.598 -18.072 -10.350 1.00 22.12 O ATOM 258 CB VAL A 42 17.688 -17.547 -9.342 1.00 3.13 C ATOM 259 CG1 VAL A 42 17.622 -18.584 -10.454 1.00 21.44 C ATOM 260 CG2 VAL A 42 16.533 -17.712 -8.371 1.00 21.23 C ATOM 0 H VAL A 42 18.131 -16.304 -7.252 1.00 4.43 H new ATOM 0 HA VAL A 42 19.192 -18.656 -8.252 1.00 34.24 H new ATOM 0 HB VAL A 42 17.609 -16.562 -9.802 1.00 3.13 H new ATOM 0 HG11 VAL A 42 16.665 -18.504 -10.970 1.00 21.44 H new ATOM 0 HG12 VAL A 42 18.432 -18.410 -11.162 1.00 21.44 H new ATOM 0 HG13 VAL A 42 17.722 -19.582 -10.027 1.00 21.44 H new ATOM 0 HG21 VAL A 42 15.590 -17.648 -8.913 1.00 21.23 H new ATOM 0 HG22 VAL A 42 16.605 -18.683 -7.882 1.00 21.23 H new ATOM 0 HG23 VAL A 42 16.574 -16.924 -7.619 1.00 21.23 H new ATOM 270 N PHE A 43 20.600 -16.007 -9.464 1.00 73.52 N ATOM 271 CA PHE A 43 21.670 -15.526 -10.328 1.00 70.15 C ATOM 272 C PHE A 43 22.841 -16.510 -10.342 1.00 42.31 C ATOM 273 O PHE A 43 23.581 -16.593 -11.321 1.00 52.02 O ATOM 274 CB PHE A 43 22.128 -14.134 -9.875 1.00 33.33 C ATOM 275 CG PHE A 43 23.237 -14.149 -8.862 1.00 52.43 C ATOM 276 CD1 PHE A 43 23.148 -14.935 -7.726 1.00 23.55 C ATOM 277 CD2 PHE A 43 24.366 -13.374 -9.051 1.00 62.25 C ATOM 278 CE1 PHE A 43 24.168 -14.947 -6.795 1.00 72.32 C ATOM 279 CE2 PHE A 43 25.391 -13.381 -8.124 1.00 71.42 C ATOM 280 CZ PHE A 43 25.292 -14.169 -6.994 1.00 72.41 C ATOM 0 H PHE A 43 20.242 -15.313 -8.807 1.00 73.52 H new ATOM 0 HA PHE A 43 21.288 -15.450 -11.346 1.00 70.15 H new ATOM 0 HB2 PHE A 43 22.456 -13.570 -10.748 1.00 33.33 H new ATOM 0 HB3 PHE A 43 21.274 -13.602 -9.455 1.00 33.33 H new ATOM 0 HD1 PHE A 43 22.272 -15.545 -7.566 1.00 23.55 H new ATOM 0 HD2 PHE A 43 24.448 -12.756 -9.933 1.00 62.25 H new ATOM 0 HE1 PHE A 43 24.087 -15.564 -5.912 1.00 72.32 H new ATOM 0 HE2 PHE A 43 26.268 -12.771 -8.283 1.00 71.42 H new ATOM 0 HZ PHE A 43 26.091 -14.177 -6.268 1.00 72.41 H new ATOM 290 N LYS A 44 22.990 -17.261 -9.253 1.00 33.02 N ATOM 291 CA LYS A 44 24.055 -18.248 -9.143 1.00 72.13 C ATOM 292 C LYS A 44 23.656 -19.525 -9.868 1.00 22.11 C ATOM 293 O LYS A 44 24.483 -20.179 -10.503 1.00 10.51 O ATOM 294 CB LYS A 44 24.357 -18.547 -7.672 1.00 44.50 C ATOM 295 CG LYS A 44 25.843 -18.649 -7.364 1.00 34.40 C ATOM 296 CD LYS A 44 26.200 -17.921 -6.076 1.00 3.22 C ATOM 297 CE LYS A 44 26.895 -18.843 -5.087 1.00 62.24 C ATOM 298 NZ LYS A 44 26.970 -18.242 -3.726 1.00 4.02 N ATOM 0 H LYS A 44 22.384 -17.203 -8.434 1.00 33.02 H new ATOM 0 HA LYS A 44 24.956 -17.845 -9.605 1.00 72.13 H new ATOM 0 HB2 LYS A 44 23.919 -17.764 -7.053 1.00 44.50 H new ATOM 0 HB3 LYS A 44 23.872 -19.482 -7.393 1.00 44.50 H new ATOM 0 HG2 LYS A 44 26.126 -19.698 -7.280 1.00 34.40 H new ATOM 0 HG3 LYS A 44 26.416 -18.229 -8.191 1.00 34.40 H new ATOM 0 HD2 LYS A 44 26.848 -17.075 -6.303 1.00 3.22 H new ATOM 0 HD3 LYS A 44 25.295 -17.516 -5.623 1.00 3.22 H new ATOM 0 HE2 LYS A 44 26.359 -19.791 -5.036 1.00 62.24 H new ATOM 0 HE3 LYS A 44 27.901 -19.064 -5.442 1.00 62.24 H new ATOM 0 HZ1 LYS A 44 27.451 -18.902 -3.081 1.00 4.02 H new ATOM 0 HZ2 LYS A 44 27.503 -17.350 -3.769 1.00 4.02 H new ATOM 0 HZ3 LYS A 44 26.009 -18.054 -3.376 1.00 4.02 H new ATOM 312 N ALA A 45 22.373 -19.862 -9.782 1.00 32.23 N ATOM 313 CA ALA A 45 21.850 -21.047 -10.442 1.00 33.43 C ATOM 314 C ALA A 45 21.956 -20.889 -11.953 1.00 55.11 C ATOM 315 O ALA A 45 22.225 -21.849 -12.676 1.00 71.12 O ATOM 316 CB ALA A 45 20.406 -21.288 -10.026 1.00 13.51 C ATOM 0 H ALA A 45 21.678 -19.329 -9.260 1.00 32.23 H new ATOM 0 HA ALA A 45 22.441 -21.912 -10.141 1.00 33.43 H new ATOM 0 HB1 ALA A 45 20.027 -22.178 -10.528 1.00 13.51 H new ATOM 0 HB2 ALA A 45 20.357 -21.431 -8.947 1.00 13.51 H new ATOM 0 HB3 ALA A 45 19.798 -20.427 -10.306 1.00 13.51 H new ATOM 322 N SER A 46 21.754 -19.660 -12.418 1.00 41.42 N ATOM 323 CA SER A 46 21.837 -19.352 -13.839 1.00 14.13 C ATOM 324 C SER A 46 23.282 -19.070 -14.237 1.00 21.13 C ATOM 325 O SER A 46 23.720 -19.439 -15.327 1.00 3.03 O ATOM 326 CB SER A 46 20.953 -18.146 -14.172 1.00 51.33 C ATOM 327 OG SER A 46 21.677 -16.931 -14.069 1.00 10.10 O ATOM 0 H SER A 46 21.531 -18.859 -11.827 1.00 41.42 H new ATOM 0 HA SER A 46 21.482 -20.214 -14.403 1.00 14.13 H new ATOM 0 HB2 SER A 46 20.557 -18.251 -15.182 1.00 51.33 H new ATOM 0 HB3 SER A 46 20.099 -18.121 -13.495 1.00 51.33 H new ATOM 0 HG SER A 46 21.088 -16.179 -14.289 1.00 10.10 H new ATOM 333 N GLU A 47 24.017 -18.415 -13.342 1.00 24.33 N ATOM 334 CA GLU A 47 25.415 -18.083 -13.593 1.00 62.04 C ATOM 335 C GLU A 47 26.227 -19.345 -13.866 1.00 44.25 C ATOM 336 O GLU A 47 27.140 -19.342 -14.691 1.00 51.23 O ATOM 337 CB GLU A 47 26.008 -17.331 -12.399 1.00 31.45 C ATOM 338 CG GLU A 47 25.897 -15.820 -12.518 1.00 33.32 C ATOM 339 CD GLU A 47 27.131 -15.192 -13.137 1.00 2.45 C ATOM 340 OE1 GLU A 47 27.179 -15.079 -14.379 1.00 30.24 O ATOM 341 OE2 GLU A 47 28.048 -14.811 -12.379 1.00 42.14 O ATOM 0 H GLU A 47 23.667 -18.104 -12.436 1.00 24.33 H new ATOM 0 HA GLU A 47 25.459 -17.441 -14.473 1.00 62.04 H new ATOM 0 HB2 GLU A 47 25.502 -17.654 -11.489 1.00 31.45 H new ATOM 0 HB3 GLU A 47 27.058 -17.603 -12.294 1.00 31.45 H new ATOM 0 HG2 GLU A 47 25.025 -15.570 -13.122 1.00 33.32 H new ATOM 0 HG3 GLU A 47 25.733 -15.392 -11.529 1.00 33.32 H new ATOM 348 N LYS A 48 25.886 -20.422 -13.165 1.00 62.12 N ATOM 349 CA LYS A 48 26.581 -21.693 -13.332 1.00 42.31 C ATOM 350 C LYS A 48 26.321 -22.279 -14.716 1.00 14.33 C ATOM 351 O LYS A 48 27.178 -22.957 -15.284 1.00 13.24 O ATOM 352 CB LYS A 48 26.139 -22.685 -12.255 1.00 54.40 C ATOM 353 CG LYS A 48 27.090 -23.859 -12.083 1.00 21.33 C ATOM 354 CD LYS A 48 28.255 -23.505 -11.174 1.00 70.02 C ATOM 355 CE LYS A 48 29.425 -24.455 -11.373 1.00 4.22 C ATOM 356 NZ LYS A 48 30.421 -23.916 -12.340 1.00 3.15 N ATOM 0 H LYS A 48 25.133 -20.440 -12.477 1.00 62.12 H new ATOM 0 HA LYS A 48 27.651 -21.509 -13.231 1.00 42.31 H new ATOM 0 HB2 LYS A 48 26.048 -22.160 -11.304 1.00 54.40 H new ATOM 0 HB3 LYS A 48 25.148 -23.064 -12.506 1.00 54.40 H new ATOM 0 HG2 LYS A 48 26.549 -24.709 -11.668 1.00 21.33 H new ATOM 0 HG3 LYS A 48 27.468 -24.168 -13.058 1.00 21.33 H new ATOM 0 HD2 LYS A 48 28.577 -22.483 -11.374 1.00 70.02 H new ATOM 0 HD3 LYS A 48 27.930 -23.539 -10.134 1.00 70.02 H new ATOM 0 HE2 LYS A 48 29.911 -24.637 -10.415 1.00 4.22 H new ATOM 0 HE3 LYS A 48 29.055 -25.416 -11.731 1.00 4.22 H new ATOM 0 HZ1 LYS A 48 31.203 -24.594 -12.447 1.00 3.15 H new ATOM 0 HZ2 LYS A 48 29.964 -23.766 -13.262 1.00 3.15 H new ATOM 0 HZ3 LYS A 48 30.793 -23.011 -11.987 1.00 3.15 H new ATOM 370 N ALA A 49 25.136 -22.013 -15.254 1.00 65.01 N ATOM 371 CA ALA A 49 24.768 -22.515 -16.572 1.00 51.12 C ATOM 372 C ALA A 49 24.882 -21.439 -17.638 1.00 32.34 C ATOM 373 O ALA A 49 24.425 -21.637 -18.758 1.00 12.15 O ATOM 374 CB ALA A 49 23.359 -23.073 -16.560 1.00 21.44 C ATOM 0 H ALA A 49 24.415 -21.453 -14.798 1.00 65.01 H new ATOM 0 HA ALA A 49 25.469 -23.312 -16.817 1.00 51.12 H new ATOM 0 HB1 ALA A 49 23.105 -23.442 -17.554 1.00 21.44 H new ATOM 0 HB2 ALA A 49 23.298 -23.891 -15.843 1.00 21.44 H new ATOM 0 HB3 ALA A 49 22.659 -22.288 -16.275 1.00 21.44 H new ATOM 380 N LEU A 50 25.502 -20.306 -17.311 1.00 32.05 N ATOM 381 CA LEU A 50 25.660 -19.244 -18.297 1.00 4.21 C ATOM 382 C LEU A 50 26.349 -19.785 -19.541 1.00 44.13 C ATOM 383 O LEU A 50 25.918 -19.540 -20.660 1.00 3.14 O ATOM 384 CB LEU A 50 26.424 -18.045 -17.729 1.00 71.01 C ATOM 385 CG LEU A 50 26.696 -16.909 -18.715 1.00 70.42 C ATOM 386 CD1 LEU A 50 26.499 -15.559 -18.043 1.00 31.20 C ATOM 387 CD2 LEU A 50 28.105 -17.021 -19.282 1.00 1.11 C ATOM 0 H LEU A 50 25.895 -20.104 -16.391 1.00 32.05 H new ATOM 0 HA LEU A 50 24.666 -18.889 -18.568 1.00 4.21 H new ATOM 0 HB2 LEU A 50 25.861 -17.644 -16.886 1.00 71.01 H new ATOM 0 HB3 LEU A 50 27.378 -18.397 -17.336 1.00 71.01 H new ATOM 0 HG LEU A 50 25.985 -16.991 -19.537 1.00 70.42 H new ATOM 0 HD11 LEU A 50 26.697 -14.763 -18.761 1.00 31.20 H new ATOM 0 HD12 LEU A 50 25.473 -15.477 -17.685 1.00 31.20 H new ATOM 0 HD13 LEU A 50 27.186 -15.468 -17.201 1.00 31.20 H new ATOM 0 HD21 LEU A 50 28.281 -16.204 -19.982 1.00 1.11 H new ATOM 0 HD22 LEU A 50 28.830 -16.966 -18.470 1.00 1.11 H new ATOM 0 HD23 LEU A 50 28.214 -17.973 -19.801 1.00 1.11 H new ATOM 399 N PRO A 51 27.392 -20.586 -19.343 1.00 61.31 N ATOM 400 CA PRO A 51 28.113 -21.230 -20.433 1.00 42.12 C ATOM 401 C PRO A 51 27.213 -22.243 -21.130 1.00 54.32 C ATOM 402 O PRO A 51 27.439 -22.619 -22.281 1.00 51.41 O ATOM 403 CB PRO A 51 29.287 -21.946 -19.746 1.00 13.34 C ATOM 404 CG PRO A 51 29.256 -21.530 -18.308 1.00 4.21 C ATOM 405 CD PRO A 51 27.886 -20.974 -18.032 1.00 41.51 C ATOM 0 HA PRO A 51 28.444 -20.521 -21.192 1.00 42.12 H new ATOM 0 HB2 PRO A 51 29.190 -23.028 -19.839 1.00 13.34 H new ATOM 0 HB3 PRO A 51 30.234 -21.670 -20.209 1.00 13.34 H new ATOM 0 HG2 PRO A 51 29.464 -22.380 -17.658 1.00 4.21 H new ATOM 0 HG3 PRO A 51 30.022 -20.781 -18.108 1.00 4.21 H new ATOM 0 HD2 PRO A 51 27.240 -21.718 -17.566 1.00 41.51 H new ATOM 0 HD3 PRO A 51 27.931 -20.122 -17.354 1.00 41.51 H new ATOM 413 N VAL A 52 26.186 -22.676 -20.402 1.00 3.01 N ATOM 414 CA VAL A 52 25.220 -23.644 -20.897 1.00 62.14 C ATOM 415 C VAL A 52 23.962 -22.956 -21.413 1.00 45.01 C ATOM 416 O VAL A 52 23.192 -23.551 -22.161 1.00 34.33 O ATOM 417 CB VAL A 52 24.849 -24.645 -19.784 1.00 21.11 C ATOM 418 CG1 VAL A 52 23.697 -25.542 -20.200 1.00 23.42 C ATOM 419 CG2 VAL A 52 26.062 -25.475 -19.389 1.00 70.43 C ATOM 0 H VAL A 52 26.003 -22.362 -19.449 1.00 3.01 H new ATOM 0 HA VAL A 52 25.681 -24.181 -21.726 1.00 62.14 H new ATOM 0 HB VAL A 52 24.521 -24.071 -18.917 1.00 21.11 H new ATOM 0 HG11 VAL A 52 23.464 -26.234 -19.391 1.00 23.42 H new ATOM 0 HG12 VAL A 52 22.821 -24.931 -20.419 1.00 23.42 H new ATOM 0 HG13 VAL A 52 23.978 -26.106 -21.090 1.00 23.42 H new ATOM 0 HG21 VAL A 52 25.783 -26.176 -18.603 1.00 70.43 H new ATOM 0 HG22 VAL A 52 26.423 -26.028 -20.256 1.00 70.43 H new ATOM 0 HG23 VAL A 52 26.850 -24.816 -19.025 1.00 70.43 H new ATOM 429 N VAL A 53 23.776 -21.701 -21.027 1.00 20.32 N ATOM 430 CA VAL A 53 22.634 -20.922 -21.474 1.00 1.21 C ATOM 431 C VAL A 53 23.065 -20.028 -22.628 1.00 20.34 C ATOM 432 O VAL A 53 22.270 -19.679 -23.501 1.00 70.54 O ATOM 433 CB VAL A 53 22.037 -20.069 -20.329 1.00 30.34 C ATOM 434 CG1 VAL A 53 22.802 -18.764 -20.148 1.00 75.54 C ATOM 435 CG2 VAL A 53 20.562 -19.797 -20.584 1.00 35.12 C ATOM 0 H VAL A 53 24.407 -21.200 -20.401 1.00 20.32 H new ATOM 0 HA VAL A 53 21.855 -21.609 -21.804 1.00 1.21 H new ATOM 0 HB VAL A 53 22.133 -20.637 -19.404 1.00 30.34 H new ATOM 0 HG11 VAL A 53 22.356 -18.190 -19.336 1.00 75.54 H new ATOM 0 HG12 VAL A 53 23.843 -18.983 -19.909 1.00 75.54 H new ATOM 0 HG13 VAL A 53 22.756 -18.184 -21.070 1.00 75.54 H new ATOM 0 HG21 VAL A 53 20.157 -19.196 -19.770 1.00 35.12 H new ATOM 0 HG22 VAL A 53 20.449 -19.258 -21.524 1.00 35.12 H new ATOM 0 HG23 VAL A 53 20.022 -20.742 -20.641 1.00 35.12 H new ATOM 445 N VAL A 54 24.351 -19.679 -22.624 1.00 50.25 N ATOM 446 CA VAL A 54 24.932 -18.849 -23.662 1.00 54.24 C ATOM 447 C VAL A 54 25.288 -19.682 -24.871 1.00 21.11 C ATOM 448 O VAL A 54 25.051 -19.278 -26.001 1.00 50.43 O ATOM 449 CB VAL A 54 26.203 -18.126 -23.170 1.00 61.33 C ATOM 450 CG1 VAL A 54 25.928 -17.333 -21.900 1.00 32.30 C ATOM 451 CG2 VAL A 54 27.342 -19.114 -22.946 1.00 1.33 C ATOM 0 H VAL A 54 25.012 -19.966 -21.902 1.00 50.25 H new ATOM 0 HA VAL A 54 24.182 -18.104 -23.928 1.00 54.24 H new ATOM 0 HB VAL A 54 26.505 -17.426 -23.949 1.00 61.33 H new ATOM 0 HG11 VAL A 54 26.842 -16.835 -21.577 1.00 32.30 H new ATOM 0 HG12 VAL A 54 25.158 -16.587 -22.096 1.00 32.30 H new ATOM 0 HG13 VAL A 54 25.587 -18.009 -21.116 1.00 32.30 H new ATOM 0 HG21 VAL A 54 28.226 -18.578 -22.600 1.00 1.33 H new ATOM 0 HG22 VAL A 54 27.045 -19.847 -22.196 1.00 1.33 H new ATOM 0 HG23 VAL A 54 27.571 -19.624 -23.882 1.00 1.33 H new ATOM 461 N GLY A 55 25.857 -20.851 -24.624 1.00 73.21 N ATOM 462 CA GLY A 55 26.237 -21.732 -25.710 1.00 10.03 C ATOM 463 C GLY A 55 25.153 -21.840 -26.755 1.00 55.23 C ATOM 464 O GLY A 55 25.437 -22.032 -27.933 1.00 74.15 O ATOM 0 H GLY A 55 26.063 -21.207 -23.691 1.00 73.21 H new ATOM 0 HA2 GLY A 55 27.152 -21.363 -26.173 1.00 10.03 H new ATOM 0 HA3 GLY A 55 26.458 -22.723 -25.313 1.00 10.03 H new ATOM 468 N ILE A 56 23.907 -21.690 -26.323 1.00 65.14 N ATOM 469 CA ILE A 56 22.777 -21.751 -27.248 1.00 1.43 C ATOM 470 C ILE A 56 22.574 -20.392 -27.900 1.00 34.05 C ATOM 471 O ILE A 56 22.325 -20.294 -29.102 1.00 63.22 O ATOM 472 CB ILE A 56 21.466 -22.172 -26.555 1.00 63.33 C ATOM 473 CG1 ILE A 56 21.747 -23.144 -25.413 1.00 2.43 C ATOM 474 CG2 ILE A 56 20.507 -22.790 -27.561 1.00 73.32 C ATOM 475 CD1 ILE A 56 21.764 -22.474 -24.062 1.00 42.44 C ATOM 0 H ILE A 56 23.652 -21.527 -25.349 1.00 65.14 H new ATOM 0 HA ILE A 56 23.018 -22.507 -27.995 1.00 1.43 H new ATOM 0 HB ILE A 56 20.999 -21.281 -26.136 1.00 63.33 H new ATOM 0 HG12 ILE A 56 20.989 -23.927 -25.415 1.00 2.43 H new ATOM 0 HG13 ILE A 56 22.708 -23.630 -25.584 1.00 2.43 H new ATOM 0 HG21 ILE A 56 19.587 -23.082 -27.055 1.00 73.32 H new ATOM 0 HG22 ILE A 56 20.278 -22.063 -28.340 1.00 73.32 H new ATOM 0 HG23 ILE A 56 20.968 -23.670 -28.010 1.00 73.32 H new ATOM 0 HD11 ILE A 56 21.969 -23.216 -23.290 1.00 42.44 H new ATOM 0 HD12 ILE A 56 22.540 -21.709 -24.045 1.00 42.44 H new ATOM 0 HD13 ILE A 56 20.795 -22.012 -23.873 1.00 42.44 H new ATOM 487 N LYS A 57 22.712 -19.343 -27.100 1.00 75.23 N ATOM 488 CA LYS A 57 22.578 -17.986 -27.602 1.00 2.04 C ATOM 489 C LYS A 57 23.833 -17.607 -28.380 1.00 20.45 C ATOM 490 O LYS A 57 23.809 -16.707 -29.220 1.00 51.14 O ATOM 491 CB LYS A 57 22.352 -17.006 -26.448 1.00 31.33 C ATOM 492 CG LYS A 57 20.908 -16.549 -26.313 1.00 40.42 C ATOM 493 CD LYS A 57 20.780 -15.042 -26.474 1.00 51.54 C ATOM 494 CE LYS A 57 21.208 -14.308 -25.214 1.00 0.41 C ATOM 495 NZ LYS A 57 20.414 -13.068 -24.996 1.00 24.32 N ATOM 0 H LYS A 57 22.916 -19.408 -26.103 1.00 75.23 H new ATOM 0 HA LYS A 57 21.714 -17.935 -28.265 1.00 2.04 H new ATOM 0 HB2 LYS A 57 22.664 -17.477 -25.516 1.00 31.33 H new ATOM 0 HB3 LYS A 57 22.989 -16.133 -26.593 1.00 31.33 H new ATOM 0 HG2 LYS A 57 20.296 -17.049 -27.064 1.00 40.42 H new ATOM 0 HG3 LYS A 57 20.522 -16.845 -25.338 1.00 40.42 H new ATOM 0 HD2 LYS A 57 21.391 -14.712 -27.314 1.00 51.54 H new ATOM 0 HD3 LYS A 57 19.747 -14.787 -26.712 1.00 51.54 H new ATOM 0 HE2 LYS A 57 21.094 -14.968 -24.354 1.00 0.41 H new ATOM 0 HE3 LYS A 57 22.266 -14.054 -25.284 1.00 0.41 H new ATOM 0 HZ1 LYS A 57 20.737 -12.597 -24.127 1.00 24.32 H new ATOM 0 HZ2 LYS A 57 20.542 -12.427 -25.805 1.00 24.32 H new ATOM 0 HZ3 LYS A 57 19.407 -13.312 -24.904 1.00 24.32 H new ATOM 509 N ALA A 58 24.927 -18.314 -28.099 1.00 64.02 N ATOM 510 CA ALA A 58 26.191 -18.070 -28.774 1.00 34.11 C ATOM 511 C ALA A 58 26.258 -18.852 -30.082 1.00 22.21 C ATOM 512 O ALA A 58 26.940 -18.453 -31.024 1.00 42.21 O ATOM 513 CB ALA A 58 27.352 -18.437 -27.859 1.00 23.12 C ATOM 0 H ALA A 58 24.958 -19.061 -27.406 1.00 64.02 H new ATOM 0 HA ALA A 58 26.264 -17.009 -29.013 1.00 34.11 H new ATOM 0 HB1 ALA A 58 28.294 -18.251 -28.374 1.00 23.12 H new ATOM 0 HB2 ALA A 58 27.307 -17.831 -26.954 1.00 23.12 H new ATOM 0 HB3 ALA A 58 27.286 -19.492 -27.593 1.00 23.12 H new ATOM 519 N ILE A 59 25.530 -19.966 -30.133 1.00 13.34 N ATOM 520 CA ILE A 59 25.485 -20.802 -31.327 1.00 60.42 C ATOM 521 C ILE A 59 24.318 -20.402 -32.212 1.00 61.51 C ATOM 522 O ILE A 59 24.461 -20.260 -33.426 1.00 31.44 O ATOM 523 CB ILE A 59 25.368 -22.294 -30.970 1.00 22.22 C ATOM 524 CG1 ILE A 59 24.103 -22.571 -30.160 1.00 33.35 C ATOM 525 CG2 ILE A 59 26.599 -22.731 -30.205 1.00 21.21 C ATOM 526 CD1 ILE A 59 22.904 -22.928 -31.012 1.00 72.14 C ATOM 0 H ILE A 59 24.963 -20.310 -29.358 1.00 13.34 H new ATOM 0 HA ILE A 59 26.421 -20.649 -31.865 1.00 60.42 H new ATOM 0 HB ILE A 59 25.298 -22.868 -31.894 1.00 22.22 H new ATOM 0 HG12 ILE A 59 24.299 -23.386 -29.463 1.00 33.35 H new ATOM 0 HG13 ILE A 59 23.864 -21.691 -29.562 1.00 33.35 H new ATOM 0 HG21 ILE A 59 26.514 -23.788 -29.953 1.00 21.21 H new ATOM 0 HG22 ILE A 59 27.485 -22.574 -30.821 1.00 21.21 H new ATOM 0 HG23 ILE A 59 26.685 -22.146 -29.290 1.00 21.21 H new ATOM 0 HD11 ILE A 59 22.043 -23.111 -30.370 1.00 72.14 H new ATOM 0 HD12 ILE A 59 22.682 -22.105 -31.691 1.00 72.14 H new ATOM 0 HD13 ILE A 59 23.123 -23.826 -31.590 1.00 72.14 H new ATOM 538 N GLY A 60 23.169 -20.192 -31.587 1.00 24.51 N ATOM 539 CA GLY A 60 21.994 -19.777 -32.320 1.00 10.04 C ATOM 540 C GLY A 60 21.904 -18.268 -32.402 1.00 32.24 C ATOM 541 O GLY A 60 20.969 -17.722 -32.987 1.00 41.44 O ATOM 0 H GLY A 60 23.031 -20.302 -30.582 1.00 24.51 H new ATOM 0 HA2 GLY A 60 22.022 -20.197 -33.325 1.00 10.04 H new ATOM 0 HA3 GLY A 60 21.101 -20.171 -31.834 1.00 10.04 H new ATOM 545 N LYS A 61 22.887 -17.592 -31.807 1.00 22.11 N ATOM 546 CA LYS A 61 22.923 -16.133 -31.809 1.00 41.24 C ATOM 547 C LYS A 61 21.699 -15.559 -31.101 1.00 22.25 C ATOM 548 O LYS A 61 21.826 -15.177 -29.919 1.00 4.24 O ATOM 549 CB LYS A 61 22.995 -15.606 -33.245 1.00 14.00 C ATOM 550 CG LYS A 61 24.367 -15.078 -33.630 1.00 35.40 C ATOM 551 CD LYS A 61 25.163 -16.110 -34.413 1.00 2.13 C ATOM 552 CE LYS A 61 26.584 -15.638 -34.672 1.00 71.15 C ATOM 553 NZ LYS A 61 27.339 -16.591 -35.531 1.00 23.05 N ATOM 554 OXT LYS A 61 20.625 -15.496 -31.735 1.00 36.72 O ATOM 0 H LYS A 61 23.667 -18.032 -31.319 1.00 22.11 H new ATOM 0 HA LYS A 61 23.814 -15.814 -31.269 1.00 41.24 H new ATOM 0 HB2 LYS A 61 22.717 -16.406 -33.931 1.00 14.00 H new ATOM 0 HB3 LYS A 61 22.261 -14.810 -33.369 1.00 14.00 H new ATOM 0 HG2 LYS A 61 24.255 -14.174 -34.228 1.00 35.40 H new ATOM 0 HG3 LYS A 61 24.916 -14.800 -32.731 1.00 35.40 H new ATOM 0 HD2 LYS A 61 25.186 -17.049 -33.861 1.00 2.13 H new ATOM 0 HD3 LYS A 61 24.666 -16.310 -35.362 1.00 2.13 H new ATOM 0 HE2 LYS A 61 26.560 -14.659 -35.151 1.00 71.15 H new ATOM 0 HE3 LYS A 61 27.104 -15.515 -33.722 1.00 71.15 H new ATOM 0 HZ1 LYS A 61 28.303 -16.232 -35.684 1.00 23.05 H new ATOM 0 HZ2 LYS A 61 27.385 -17.519 -35.063 1.00 23.05 H new ATOM 0 HZ3 LYS A 61 26.857 -16.689 -36.447 1.00 23.05 H new TER 568 LYS A 61