USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=1 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+ 180:sc= 0 (180deg=0) 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 2.382 0.661 0.627 1.00 13.00 N ATOM 2 CA GLY A 26 2.672 0.425 -0.814 1.00 45.03 C ATOM 3 C GLY A 26 3.166 -0.984 -1.083 1.00 73.31 C ATOM 4 O GLY A 26 4.209 -1.391 -0.572 1.00 22.41 O ATOM 0 HA2 GLY A 26 1.770 0.608 -1.398 1.00 45.03 H new ATOM 0 HA3 GLY A 26 3.421 1.140 -1.153 1.00 45.03 H new ATOM 10 N GLY A 27 2.414 -1.729 -1.886 1.00 10.32 N ATOM 11 CA GLY A 27 2.797 -3.091 -2.208 1.00 5.02 C ATOM 12 C GLY A 27 3.819 -3.162 -3.326 1.00 54.02 C ATOM 13 O GLY A 27 4.538 -4.152 -3.454 1.00 35.42 O ATOM 0 H GLY A 27 1.546 -1.414 -2.320 1.00 10.32 H new ATOM 0 HA2 GLY A 27 3.205 -3.570 -1.318 1.00 5.02 H new ATOM 0 HA3 GLY A 27 1.910 -3.655 -2.496 1.00 5.02 H new ATOM 17 N LEU A 28 3.886 -2.109 -4.140 1.00 33.32 N ATOM 18 CA LEU A 28 4.832 -2.060 -5.253 1.00 13.02 C ATOM 19 C LEU A 28 6.226 -2.462 -4.793 1.00 51.52 C ATOM 20 O LEU A 28 6.786 -3.454 -5.261 1.00 3.01 O ATOM 21 CB LEU A 28 4.873 -0.651 -5.851 1.00 53.41 C ATOM 22 CG LEU A 28 5.896 -0.445 -6.974 1.00 63.05 C ATOM 23 CD1 LEU A 28 7.257 -0.091 -6.395 1.00 61.45 C ATOM 24 CD2 LEU A 28 5.995 -1.685 -7.850 1.00 52.34 C ATOM 0 H LEU A 28 3.298 -1.281 -4.050 1.00 33.32 H new ATOM 0 HA LEU A 28 4.498 -2.764 -6.015 1.00 13.02 H new ATOM 0 HB2 LEU A 28 3.882 -0.408 -6.236 1.00 53.41 H new ATOM 0 HB3 LEU A 28 5.087 0.059 -5.052 1.00 53.41 H new ATOM 0 HG LEU A 28 5.557 0.384 -7.596 1.00 63.05 H new ATOM 0 HD11 LEU A 28 7.971 0.052 -7.206 1.00 61.45 H new ATOM 0 HD12 LEU A 28 7.178 0.829 -5.815 1.00 61.45 H new ATOM 0 HD13 LEU A 28 7.599 -0.899 -5.749 1.00 61.45 H new ATOM 0 HD21 LEU A 28 6.727 -1.515 -8.640 1.00 52.34 H new ATOM 0 HD22 LEU A 28 6.307 -2.535 -7.243 1.00 52.34 H new ATOM 0 HD23 LEU A 28 5.022 -1.894 -8.296 1.00 52.34 H new ATOM 36 N LYS A 29 6.771 -1.693 -3.860 1.00 3.25 N ATOM 37 CA LYS A 29 8.094 -1.974 -3.319 1.00 3.44 C ATOM 38 C LYS A 29 8.115 -3.351 -2.660 1.00 72.54 C ATOM 39 O LYS A 29 9.167 -3.975 -2.532 1.00 12.23 O ATOM 40 CB LYS A 29 8.495 -0.898 -2.306 1.00 52.23 C ATOM 41 CG LYS A 29 9.823 -0.229 -2.623 1.00 23.12 C ATOM 42 CD LYS A 29 9.624 1.059 -3.404 1.00 42.52 C ATOM 43 CE LYS A 29 10.954 1.694 -3.780 1.00 13.52 C ATOM 44 NZ LYS A 29 10.772 2.960 -4.541 1.00 63.44 N ATOM 0 H LYS A 29 6.318 -0.870 -3.462 1.00 3.25 H new ATOM 0 HA LYS A 29 8.812 -1.967 -4.139 1.00 3.44 H new ATOM 0 HB2 LYS A 29 7.715 -0.138 -2.268 1.00 52.23 H new ATOM 0 HB3 LYS A 29 8.551 -1.347 -1.314 1.00 52.23 H new ATOM 0 HG2 LYS A 29 10.355 -0.015 -1.696 1.00 23.12 H new ATOM 0 HG3 LYS A 29 10.448 -0.912 -3.198 1.00 23.12 H new ATOM 0 HD2 LYS A 29 9.050 0.853 -4.307 1.00 42.52 H new ATOM 0 HD3 LYS A 29 9.040 1.761 -2.808 1.00 42.52 H new ATOM 0 HE2 LYS A 29 11.529 1.894 -2.876 1.00 13.52 H new ATOM 0 HE3 LYS A 29 11.535 0.992 -4.378 1.00 13.52 H new ATOM 0 HZ1 LYS A 29 11.703 3.360 -4.777 1.00 63.44 H new ATOM 0 HZ2 LYS A 29 10.246 2.766 -5.417 1.00 63.44 H new ATOM 0 HZ3 LYS A 29 10.240 3.640 -3.961 1.00 63.44 H new ATOM 58 N LYS A 30 6.938 -3.818 -2.249 1.00 70.54 N ATOM 59 CA LYS A 30 6.809 -5.119 -1.608 1.00 55.41 C ATOM 60 C LYS A 30 7.094 -6.241 -2.601 1.00 42.42 C ATOM 61 O LYS A 30 7.773 -7.214 -2.277 1.00 62.13 O ATOM 62 CB LYS A 30 5.404 -5.286 -1.025 1.00 45.31 C ATOM 63 CG LYS A 30 5.360 -6.156 0.221 1.00 55.32 C ATOM 64 CD LYS A 30 4.038 -6.897 0.337 1.00 70.32 C ATOM 65 CE LYS A 30 4.007 -8.123 -0.562 1.00 53.13 C ATOM 66 NZ LYS A 30 2.630 -8.425 -1.041 1.00 34.21 N ATOM 0 H LYS A 30 6.059 -3.311 -2.350 1.00 70.54 H new ATOM 0 HA LYS A 30 7.539 -5.174 -0.801 1.00 55.41 H new ATOM 0 HB2 LYS A 30 5.000 -4.302 -0.785 1.00 45.31 H new ATOM 0 HB3 LYS A 30 4.754 -5.721 -1.784 1.00 45.31 H new ATOM 0 HG2 LYS A 30 6.180 -6.874 0.194 1.00 55.32 H new ATOM 0 HG3 LYS A 30 5.509 -5.536 1.105 1.00 55.32 H new ATOM 0 HD2 LYS A 30 3.878 -7.199 1.372 1.00 70.32 H new ATOM 0 HD3 LYS A 30 3.220 -6.228 0.070 1.00 70.32 H new ATOM 0 HE2 LYS A 30 4.662 -7.962 -1.418 1.00 53.13 H new ATOM 0 HE3 LYS A 30 4.399 -8.982 -0.018 1.00 53.13 H new ATOM 0 HZ1 LYS A 30 2.651 -9.267 -1.651 1.00 34.21 H new ATOM 0 HZ2 LYS A 30 2.010 -8.604 -0.225 1.00 34.21 H new ATOM 0 HZ3 LYS A 30 2.265 -7.615 -1.582 1.00 34.21 H new ATOM 80 N LEU A 31 6.570 -6.093 -3.814 1.00 14.11 N ATOM 81 CA LEU A 31 6.769 -7.092 -4.858 1.00 44.21 C ATOM 82 C LEU A 31 8.154 -6.957 -5.481 1.00 60.13 C ATOM 83 O LEU A 31 8.826 -7.953 -5.745 1.00 42.44 O ATOM 84 CB LEU A 31 5.693 -6.949 -5.939 1.00 62.45 C ATOM 85 CG LEU A 31 5.617 -8.106 -6.939 1.00 44.30 C ATOM 86 CD1 LEU A 31 6.795 -8.061 -7.899 1.00 24.14 C ATOM 87 CD2 LEU A 31 5.569 -9.441 -6.211 1.00 3.02 C ATOM 0 H LEU A 31 6.005 -5.292 -4.098 1.00 14.11 H new ATOM 0 HA LEU A 31 6.690 -8.080 -4.404 1.00 44.21 H new ATOM 0 HB2 LEU A 31 4.723 -6.846 -5.452 1.00 62.45 H new ATOM 0 HB3 LEU A 31 5.874 -6.025 -6.489 1.00 62.45 H new ATOM 0 HG LEU A 31 4.700 -7.999 -7.518 1.00 44.30 H new ATOM 0 HD11 LEU A 31 6.723 -8.891 -8.602 1.00 24.14 H new ATOM 0 HD12 LEU A 31 6.782 -7.119 -8.447 1.00 24.14 H new ATOM 0 HD13 LEU A 31 7.726 -8.141 -7.337 1.00 24.14 H new ATOM 0 HD21 LEU A 31 5.515 -10.251 -6.939 1.00 3.02 H new ATOM 0 HD22 LEU A 31 6.467 -9.557 -5.605 1.00 3.02 H new ATOM 0 HD23 LEU A 31 4.690 -9.473 -5.567 1.00 3.02 H new ATOM 99 N GLY A 32 8.573 -5.718 -5.714 1.00 0.22 N ATOM 100 CA GLY A 32 9.876 -5.473 -6.303 1.00 23.11 C ATOM 101 C GLY A 32 11.014 -5.944 -5.419 1.00 25.03 C ATOM 102 O GLY A 32 12.116 -6.204 -5.902 1.00 64.01 O ATOM 0 H GLY A 32 8.033 -4.878 -5.505 1.00 0.22 H new ATOM 0 HA2 GLY A 32 9.936 -5.979 -7.266 1.00 23.11 H new ATOM 0 HA3 GLY A 32 9.988 -4.406 -6.496 1.00 23.11 H new ATOM 106 N LYS A 33 10.751 -6.054 -4.120 1.00 22.12 N ATOM 107 CA LYS A 33 11.764 -6.496 -3.170 1.00 1.34 C ATOM 108 C LYS A 33 11.673 -8.001 -2.933 1.00 32.02 C ATOM 109 O LYS A 33 12.672 -8.653 -2.630 1.00 32.33 O ATOM 110 CB LYS A 33 11.609 -5.750 -1.842 1.00 13.41 C ATOM 111 CG LYS A 33 12.710 -6.052 -0.841 1.00 43.31 C ATOM 112 CD LYS A 33 12.509 -5.288 0.457 1.00 33.13 C ATOM 113 CE LYS A 33 13.836 -4.889 1.083 1.00 23.12 C ATOM 114 NZ LYS A 33 13.785 -3.522 1.670 1.00 51.42 N ATOM 0 H LYS A 33 9.845 -5.843 -3.702 1.00 22.12 H new ATOM 0 HA LYS A 33 12.743 -6.272 -3.594 1.00 1.34 H new ATOM 0 HB2 LYS A 33 11.592 -4.678 -2.037 1.00 13.41 H new ATOM 0 HB3 LYS A 33 10.647 -6.009 -1.400 1.00 13.41 H new ATOM 0 HG2 LYS A 33 12.732 -7.122 -0.635 1.00 43.31 H new ATOM 0 HG3 LYS A 33 13.676 -5.791 -1.272 1.00 43.31 H new ATOM 0 HD2 LYS A 33 11.913 -4.395 0.266 1.00 33.13 H new ATOM 0 HD3 LYS A 33 11.946 -5.903 1.158 1.00 33.13 H new ATOM 0 HE2 LYS A 33 14.102 -5.607 1.859 1.00 23.12 H new ATOM 0 HE3 LYS A 33 14.621 -4.931 0.328 1.00 23.12 H new ATOM 0 HZ1 LYS A 33 14.709 -3.288 2.086 1.00 51.42 H new ATOM 0 HZ2 LYS A 33 13.556 -2.833 0.925 1.00 51.42 H new ATOM 0 HZ3 LYS A 33 13.054 -3.489 2.409 1.00 51.42 H new ATOM 128 N LYS A 34 10.468 -8.545 -3.073 1.00 52.41 N ATOM 129 CA LYS A 34 10.246 -9.972 -2.875 1.00 64.25 C ATOM 130 C LYS A 34 10.888 -10.781 -3.991 1.00 54.15 C ATOM 131 O LYS A 34 11.813 -11.560 -3.764 1.00 42.54 O ATOM 132 CB LYS A 34 8.746 -10.265 -2.832 1.00 22.00 C ATOM 133 CG LYS A 34 8.311 -11.023 -1.594 1.00 33.33 C ATOM 134 CD LYS A 34 8.010 -10.074 -0.445 1.00 3.13 C ATOM 135 CE LYS A 34 6.566 -10.191 0.014 1.00 51.21 C ATOM 136 NZ LYS A 34 6.373 -11.324 0.961 1.00 51.23 N ATOM 0 H LYS A 34 9.631 -8.019 -3.323 1.00 52.41 H new ATOM 0 HA LYS A 34 10.703 -10.259 -1.928 1.00 64.25 H new ATOM 0 HB2 LYS A 34 8.199 -9.324 -2.882 1.00 22.00 H new ATOM 0 HB3 LYS A 34 8.471 -10.841 -3.716 1.00 22.00 H new ATOM 0 HG2 LYS A 34 7.425 -11.616 -1.820 1.00 33.33 H new ATOM 0 HG3 LYS A 34 9.095 -11.720 -1.297 1.00 33.33 H new ATOM 0 HD2 LYS A 34 8.676 -10.290 0.390 1.00 3.13 H new ATOM 0 HD3 LYS A 34 8.211 -9.049 -0.757 1.00 3.13 H new ATOM 0 HE2 LYS A 34 6.261 -9.261 0.494 1.00 51.21 H new ATOM 0 HE3 LYS A 34 5.920 -10.329 -0.853 1.00 51.21 H new ATOM 0 HZ1 LYS A 34 5.375 -11.369 1.250 1.00 51.23 H new ATOM 0 HZ2 LYS A 34 6.639 -12.215 0.495 1.00 51.23 H new ATOM 0 HZ3 LYS A 34 6.970 -11.180 1.800 1.00 51.23 H new ATOM 150 N LEU A 35 10.382 -10.585 -5.201 1.00 40.03 N ATOM 151 CA LEU A 35 10.891 -11.287 -6.376 1.00 33.31 C ATOM 152 C LEU A 35 12.408 -11.166 -6.469 1.00 71.33 C ATOM 153 O LEU A 35 13.100 -12.127 -6.805 1.00 22.41 O ATOM 154 CB LEU A 35 10.249 -10.727 -7.649 1.00 44.54 C ATOM 155 CG LEU A 35 10.170 -11.696 -8.833 1.00 75.02 C ATOM 156 CD1 LEU A 35 9.947 -10.931 -10.127 1.00 2.15 C ATOM 157 CD2 LEU A 35 11.433 -12.542 -8.930 1.00 11.03 C ATOM 0 H LEU A 35 9.615 -9.942 -5.397 1.00 40.03 H new ATOM 0 HA LEU A 35 10.632 -12.341 -6.276 1.00 33.31 H new ATOM 0 HB2 LEU A 35 9.240 -10.393 -7.408 1.00 44.54 H new ATOM 0 HB3 LEU A 35 10.811 -9.846 -7.960 1.00 44.54 H new ATOM 0 HG LEU A 35 9.325 -12.364 -8.669 1.00 75.02 H new ATOM 0 HD11 LEU A 35 9.893 -11.632 -10.960 1.00 2.15 H new ATOM 0 HD12 LEU A 35 9.014 -10.371 -10.063 1.00 2.15 H new ATOM 0 HD13 LEU A 35 10.774 -10.240 -10.288 1.00 2.15 H new ATOM 0 HD21 LEU A 35 11.352 -13.221 -9.778 1.00 11.03 H new ATOM 0 HD22 LEU A 35 12.297 -11.892 -9.067 1.00 11.03 H new ATOM 0 HD23 LEU A 35 11.556 -13.119 -8.014 1.00 11.03 H new ATOM 169 N GLU A 36 12.915 -9.977 -6.170 1.00 34.15 N ATOM 170 CA GLU A 36 14.351 -9.725 -6.222 1.00 70.25 C ATOM 171 C GLU A 36 15.106 -10.686 -5.309 1.00 53.45 C ATOM 172 O GLU A 36 16.194 -11.152 -5.645 1.00 64.52 O ATOM 173 CB GLU A 36 14.652 -8.280 -5.820 1.00 11.05 C ATOM 174 CG GLU A 36 15.830 -7.674 -6.565 1.00 24.25 C ATOM 175 CD GLU A 36 17.155 -8.288 -6.158 1.00 52.54 C ATOM 176 OE1 GLU A 36 17.570 -8.090 -4.997 1.00 55.51 O ATOM 177 OE2 GLU A 36 17.777 -8.970 -7.000 1.00 42.24 O ATOM 0 H GLU A 36 12.355 -9.172 -5.889 1.00 34.15 H new ATOM 0 HA GLU A 36 14.685 -9.887 -7.247 1.00 70.25 H new ATOM 0 HB2 GLU A 36 13.767 -7.670 -5.999 1.00 11.05 H new ATOM 0 HB3 GLU A 36 14.853 -8.244 -4.749 1.00 11.05 H new ATOM 0 HG2 GLU A 36 15.685 -7.809 -7.637 1.00 24.25 H new ATOM 0 HG3 GLU A 36 15.859 -6.600 -6.380 1.00 24.25 H new ATOM 184 N GLY A 37 14.518 -10.981 -4.153 1.00 23.21 N ATOM 185 CA GLY A 37 15.148 -11.887 -3.212 1.00 13.41 C ATOM 186 C GLY A 37 15.277 -13.294 -3.761 1.00 23.22 C ATOM 187 O GLY A 37 16.332 -13.916 -3.650 1.00 3.13 O ATOM 0 H GLY A 37 13.617 -10.609 -3.852 1.00 23.21 H new ATOM 0 HA2 GLY A 37 16.137 -11.509 -2.954 1.00 13.41 H new ATOM 0 HA3 GLY A 37 14.566 -11.912 -2.291 1.00 13.41 H new ATOM 191 N ALA A 38 14.199 -13.794 -4.356 1.00 75.14 N ATOM 192 CA ALA A 38 14.196 -15.136 -4.927 1.00 41.11 C ATOM 193 C ALA A 38 14.985 -15.175 -6.231 1.00 31.43 C ATOM 194 O ALA A 38 15.731 -16.115 -6.489 1.00 1.31 O ATOM 195 CB ALA A 38 12.767 -15.609 -5.154 1.00 55.14 C ATOM 0 H ALA A 38 13.317 -13.291 -4.455 1.00 75.14 H new ATOM 0 HA ALA A 38 14.680 -15.810 -4.220 1.00 41.11 H new ATOM 0 HB1 ALA A 38 12.779 -16.612 -5.581 1.00 55.14 H new ATOM 0 HB2 ALA A 38 12.234 -15.625 -4.203 1.00 55.14 H new ATOM 0 HB3 ALA A 38 12.263 -14.929 -5.841 1.00 55.14 H new ATOM 201 N GLY A 39 14.816 -14.143 -7.049 1.00 11.15 N ATOM 202 CA GLY A 39 15.516 -14.070 -8.314 1.00 3.00 C ATOM 203 C GLY A 39 17.015 -13.933 -8.141 1.00 30.45 C ATOM 204 O GLY A 39 17.777 -14.248 -9.051 1.00 72.35 O ATOM 0 H GLY A 39 14.202 -13.352 -6.855 1.00 11.15 H new ATOM 0 HA2 GLY A 39 15.301 -14.966 -8.897 1.00 3.00 H new ATOM 0 HA3 GLY A 39 15.140 -13.221 -8.885 1.00 3.00 H new ATOM 208 N LYS A 40 17.440 -13.461 -6.973 1.00 52.30 N ATOM 209 CA LYS A 40 18.861 -13.290 -6.699 1.00 73.34 C ATOM 210 C LYS A 40 19.573 -14.639 -6.702 1.00 30.05 C ATOM 211 O LYS A 40 20.500 -14.863 -7.479 1.00 4.15 O ATOM 212 CB LYS A 40 19.069 -12.591 -5.355 1.00 51.02 C ATOM 213 CG LYS A 40 20.446 -11.961 -5.205 1.00 41.14 C ATOM 214 CD LYS A 40 20.360 -10.447 -5.088 1.00 20.14 C ATOM 215 CE LYS A 40 21.678 -9.849 -4.622 1.00 41.53 C ATOM 216 NZ LYS A 40 21.471 -8.730 -3.661 1.00 4.13 N ATOM 0 H LYS A 40 16.824 -13.192 -6.206 1.00 52.30 H new ATOM 0 HA LYS A 40 19.286 -12.668 -7.486 1.00 73.34 H new ATOM 0 HB2 LYS A 40 18.310 -11.818 -5.235 1.00 51.02 H new ATOM 0 HB3 LYS A 40 18.919 -13.313 -4.552 1.00 51.02 H new ATOM 0 HG2 LYS A 40 20.938 -12.367 -4.321 1.00 41.14 H new ATOM 0 HG3 LYS A 40 21.063 -12.226 -6.064 1.00 41.14 H new ATOM 0 HD2 LYS A 40 20.087 -10.021 -6.054 1.00 20.14 H new ATOM 0 HD3 LYS A 40 19.570 -10.179 -4.387 1.00 20.14 H new ATOM 0 HE2 LYS A 40 22.282 -10.625 -4.151 1.00 41.53 H new ATOM 0 HE3 LYS A 40 22.238 -9.488 -5.485 1.00 41.53 H new ATOM 0 HZ1 LYS A 40 22.393 -8.350 -3.367 1.00 4.13 H new ATOM 0 HZ2 LYS A 40 20.916 -7.978 -4.118 1.00 4.13 H new ATOM 0 HZ3 LYS A 40 20.959 -9.080 -2.826 1.00 4.13 H new ATOM 230 N ARG A 41 19.124 -15.543 -5.840 1.00 72.12 N ATOM 231 CA ARG A 41 19.721 -16.873 -5.771 1.00 73.40 C ATOM 232 C ARG A 41 19.530 -17.605 -7.098 1.00 71.44 C ATOM 233 O ARG A 41 20.246 -18.558 -7.405 1.00 22.51 O ATOM 234 CB ARG A 41 19.115 -17.684 -4.622 1.00 42.14 C ATOM 235 CG ARG A 41 17.601 -17.794 -4.680 1.00 41.02 C ATOM 236 CD ARG A 41 17.157 -19.059 -5.396 1.00 64.51 C ATOM 237 NE ARG A 41 17.040 -20.195 -4.482 1.00 1.02 N ATOM 238 CZ ARG A 41 17.974 -21.132 -4.328 1.00 12.15 C ATOM 239 NH1 ARG A 41 19.106 -21.081 -5.022 1.00 24.14 N ATOM 240 NH2 ARG A 41 17.777 -22.126 -3.474 1.00 73.21 N ATOM 0 H ARG A 41 18.358 -15.384 -5.186 1.00 72.12 H new ATOM 0 HA ARG A 41 20.788 -16.761 -5.581 1.00 73.40 H new ATOM 0 HB2 ARG A 41 19.543 -18.686 -4.632 1.00 42.14 H new ATOM 0 HB3 ARG A 41 19.400 -17.225 -3.676 1.00 42.14 H new ATOM 0 HG2 ARG A 41 17.196 -17.788 -3.668 1.00 41.02 H new ATOM 0 HG3 ARG A 41 17.192 -16.923 -5.192 1.00 41.02 H new ATOM 0 HD2 ARG A 41 16.196 -18.883 -5.880 1.00 64.51 H new ATOM 0 HD3 ARG A 41 17.871 -19.299 -6.183 1.00 64.51 H new ATOM 0 HE ARG A 41 16.188 -20.275 -3.927 1.00 1.02 H new ATOM 0 HH11 ARG A 41 19.267 -20.319 -5.681 1.00 24.14 H new ATOM 0 HH12 ARG A 41 19.814 -21.804 -4.896 1.00 24.14 H new ATOM 0 HH21 ARG A 41 16.911 -22.172 -2.936 1.00 73.21 H new ATOM 0 HH22 ARG A 41 18.491 -22.845 -3.354 1.00 73.21 H new ATOM 254 N VAL A 42 18.561 -17.139 -7.884 1.00 32.40 N ATOM 255 CA VAL A 42 18.268 -17.726 -9.185 1.00 0.31 C ATOM 256 C VAL A 42 19.201 -17.170 -10.248 1.00 52.13 C ATOM 257 O VAL A 42 19.791 -17.919 -11.026 1.00 52.43 O ATOM 258 CB VAL A 42 16.816 -17.443 -9.600 1.00 71.32 C ATOM 259 CG1 VAL A 42 16.480 -18.143 -10.909 1.00 41.52 C ATOM 260 CG2 VAL A 42 15.870 -17.869 -8.499 1.00 62.30 C ATOM 0 H VAL A 42 17.963 -16.350 -7.637 1.00 32.40 H new ATOM 0 HA VAL A 42 18.415 -18.803 -9.098 1.00 0.31 H new ATOM 0 HB VAL A 42 16.701 -16.371 -9.760 1.00 71.32 H new ATOM 0 HG11 VAL A 42 15.447 -17.928 -11.182 1.00 41.52 H new ATOM 0 HG12 VAL A 42 17.145 -17.784 -11.695 1.00 41.52 H new ATOM 0 HG13 VAL A 42 16.607 -19.219 -10.789 1.00 41.52 H new ATOM 0 HG21 VAL A 42 14.843 -17.665 -8.802 1.00 62.30 H new ATOM 0 HG22 VAL A 42 15.987 -18.936 -8.311 1.00 62.30 H new ATOM 0 HG23 VAL A 42 16.097 -17.314 -7.589 1.00 62.30 H new ATOM 270 N PHE A 43 19.335 -15.849 -10.269 1.00 5.21 N ATOM 271 CA PHE A 43 20.204 -15.185 -11.228 1.00 64.43 C ATOM 272 C PHE A 43 21.584 -15.835 -11.210 1.00 21.04 C ATOM 273 O PHE A 43 22.200 -16.047 -12.255 1.00 62.11 O ATOM 274 CB PHE A 43 20.280 -13.683 -10.909 1.00 32.22 C ATOM 275 CG PHE A 43 21.590 -13.230 -10.327 1.00 23.13 C ATOM 276 CD1 PHE A 43 22.711 -13.121 -11.127 1.00 15.20 C ATOM 277 CD2 PHE A 43 21.692 -12.911 -8.985 1.00 50.14 C ATOM 278 CE1 PHE A 43 23.917 -12.702 -10.599 1.00 71.45 C ATOM 279 CE2 PHE A 43 22.894 -12.491 -8.448 1.00 4.04 C ATOM 280 CZ PHE A 43 24.010 -12.386 -9.257 1.00 74.25 C ATOM 0 H PHE A 43 18.851 -15.217 -9.631 1.00 5.21 H new ATOM 0 HA PHE A 43 19.796 -15.293 -12.233 1.00 64.43 H new ATOM 0 HB2 PHE A 43 20.091 -13.121 -11.824 1.00 32.22 H new ATOM 0 HB3 PHE A 43 19.482 -13.433 -10.210 1.00 32.22 H new ATOM 0 HD1 PHE A 43 22.644 -13.366 -12.177 1.00 15.20 H new ATOM 0 HD2 PHE A 43 20.822 -12.991 -8.350 1.00 50.14 H new ATOM 0 HE1 PHE A 43 24.786 -12.621 -11.235 1.00 71.45 H new ATOM 0 HE2 PHE A 43 22.961 -12.245 -7.398 1.00 4.04 H new ATOM 0 HZ PHE A 43 24.951 -12.058 -8.842 1.00 74.25 H new ATOM 290 N LYS A 44 22.046 -16.175 -10.011 1.00 51.53 N ATOM 291 CA LYS A 44 23.334 -16.833 -9.848 1.00 33.14 C ATOM 292 C LYS A 44 23.211 -18.301 -10.243 1.00 62.32 C ATOM 293 O LYS A 44 24.170 -18.917 -10.708 1.00 33.22 O ATOM 294 CB LYS A 44 23.819 -16.711 -8.400 1.00 25.31 C ATOM 295 CG LYS A 44 25.212 -16.116 -8.274 1.00 61.33 C ATOM 296 CD LYS A 44 25.979 -16.733 -7.116 1.00 74.10 C ATOM 297 CE LYS A 44 27.236 -15.940 -6.796 1.00 43.13 C ATOM 298 NZ LYS A 44 28.361 -16.825 -6.383 1.00 55.42 N ATOM 0 H LYS A 44 21.546 -16.005 -9.138 1.00 51.53 H new ATOM 0 HA LYS A 44 24.065 -16.348 -10.495 1.00 33.14 H new ATOM 0 HB2 LYS A 44 23.117 -16.093 -7.841 1.00 25.31 H new ATOM 0 HB3 LYS A 44 23.811 -17.698 -7.938 1.00 25.31 H new ATOM 0 HG2 LYS A 44 25.762 -16.275 -9.202 1.00 61.33 H new ATOM 0 HG3 LYS A 44 25.137 -15.038 -8.129 1.00 61.33 H new ATOM 0 HD2 LYS A 44 25.339 -16.774 -6.235 1.00 74.10 H new ATOM 0 HD3 LYS A 44 26.248 -17.760 -7.362 1.00 74.10 H new ATOM 0 HE2 LYS A 44 27.532 -15.361 -7.670 1.00 43.13 H new ATOM 0 HE3 LYS A 44 27.023 -15.228 -5.999 1.00 43.13 H new ATOM 0 HZ1 LYS A 44 29.199 -16.246 -6.174 1.00 55.42 H new ATOM 0 HZ2 LYS A 44 28.088 -17.360 -5.534 1.00 55.42 H new ATOM 0 HZ3 LYS A 44 28.582 -17.488 -7.153 1.00 55.42 H new ATOM 312 N ALA A 45 22.008 -18.846 -10.065 1.00 15.12 N ATOM 313 CA ALA A 45 21.729 -20.231 -10.411 1.00 4.43 C ATOM 314 C ALA A 45 21.872 -20.440 -11.912 1.00 2.14 C ATOM 315 O ALA A 45 22.501 -21.397 -12.362 1.00 3.22 O ATOM 316 CB ALA A 45 20.329 -20.609 -9.952 1.00 65.31 C ATOM 0 H ALA A 45 21.209 -18.342 -9.680 1.00 15.12 H new ATOM 0 HA ALA A 45 22.449 -20.874 -9.904 1.00 4.43 H new ATOM 0 HB1 ALA A 45 20.128 -21.648 -10.215 1.00 65.31 H new ATOM 0 HB2 ALA A 45 20.255 -20.487 -8.871 1.00 65.31 H new ATOM 0 HB3 ALA A 45 19.599 -19.963 -10.440 1.00 65.31 H new ATOM 322 N SER A 46 21.293 -19.523 -12.683 1.00 54.43 N ATOM 323 CA SER A 46 21.364 -19.592 -14.135 1.00 63.14 C ATOM 324 C SER A 46 22.713 -19.078 -14.617 1.00 73.54 C ATOM 325 O SER A 46 23.272 -19.584 -15.591 1.00 30.20 O ATOM 326 CB SER A 46 20.237 -18.775 -14.765 1.00 41.10 C ATOM 327 OG SER A 46 19.981 -19.197 -16.093 1.00 52.04 O ATOM 0 H SER A 46 20.770 -18.724 -12.324 1.00 54.43 H new ATOM 0 HA SER A 46 21.251 -20.633 -14.439 1.00 63.14 H new ATOM 0 HB2 SER A 46 19.332 -18.877 -14.167 1.00 41.10 H new ATOM 0 HB3 SER A 46 20.504 -17.718 -14.761 1.00 41.10 H new ATOM 0 HG SER A 46 19.255 -18.660 -16.473 1.00 52.04 H new ATOM 333 N GLU A 47 23.239 -18.075 -13.918 1.00 51.53 N ATOM 334 CA GLU A 47 24.531 -17.499 -14.264 1.00 33.03 C ATOM 335 C GLU A 47 25.616 -18.570 -14.232 1.00 24.33 C ATOM 336 O GLU A 47 26.663 -18.425 -14.858 1.00 1.12 O ATOM 337 CB GLU A 47 24.887 -16.365 -13.303 1.00 4.24 C ATOM 338 CG GLU A 47 24.487 -14.989 -13.810 1.00 21.40 C ATOM 339 CD GLU A 47 25.680 -14.089 -14.066 1.00 23.10 C ATOM 340 OE1 GLU A 47 26.569 -14.018 -13.192 1.00 54.04 O ATOM 341 OE2 GLU A 47 25.726 -13.455 -15.141 1.00 35.55 O ATOM 0 H GLU A 47 22.789 -17.646 -13.109 1.00 51.53 H new ATOM 0 HA GLU A 47 24.466 -17.094 -15.274 1.00 33.03 H new ATOM 0 HB2 GLU A 47 24.400 -16.546 -12.345 1.00 4.24 H new ATOM 0 HB3 GLU A 47 25.962 -16.378 -13.122 1.00 4.24 H new ATOM 0 HG2 GLU A 47 23.915 -15.098 -14.732 1.00 21.40 H new ATOM 0 HG3 GLU A 47 23.829 -14.515 -13.081 1.00 21.40 H new ATOM 348 N LYS A 48 25.361 -19.653 -13.505 1.00 61.50 N ATOM 349 CA LYS A 48 26.325 -20.741 -13.423 1.00 34.20 C ATOM 350 C LYS A 48 26.375 -21.483 -14.749 1.00 61.00 C ATOM 351 O LYS A 48 27.421 -21.996 -15.147 1.00 64.45 O ATOM 352 CB LYS A 48 25.966 -21.701 -12.287 1.00 12.20 C ATOM 353 CG LYS A 48 27.176 -22.239 -11.541 1.00 55.13 C ATOM 354 CD LYS A 48 26.861 -23.551 -10.841 1.00 61.24 C ATOM 355 CE LYS A 48 26.568 -23.338 -9.364 1.00 4.02 C ATOM 356 NZ LYS A 48 25.728 -24.431 -8.801 1.00 11.32 N ATOM 0 H LYS A 48 24.505 -19.799 -12.970 1.00 61.50 H new ATOM 0 HA LYS A 48 27.309 -20.322 -13.211 1.00 34.20 H new ATOM 0 HB2 LYS A 48 25.313 -21.188 -11.581 1.00 12.20 H new ATOM 0 HB3 LYS A 48 25.399 -22.538 -12.695 1.00 12.20 H new ATOM 0 HG2 LYS A 48 27.999 -22.387 -12.240 1.00 55.13 H new ATOM 0 HG3 LYS A 48 27.508 -21.505 -10.807 1.00 55.13 H new ATOM 0 HD2 LYS A 48 26.002 -24.023 -11.319 1.00 61.24 H new ATOM 0 HD3 LYS A 48 27.703 -24.235 -10.951 1.00 61.24 H new ATOM 0 HE2 LYS A 48 27.506 -23.281 -8.812 1.00 4.02 H new ATOM 0 HE3 LYS A 48 26.060 -22.383 -9.229 1.00 4.02 H new ATOM 0 HZ1 LYS A 48 25.551 -24.248 -7.793 1.00 11.32 H new ATOM 0 HZ2 LYS A 48 24.822 -24.470 -9.310 1.00 11.32 H new ATOM 0 HZ3 LYS A 48 26.224 -25.339 -8.907 1.00 11.32 H new ATOM 370 N ALA A 49 25.244 -21.508 -15.442 1.00 1.11 N ATOM 371 CA ALA A 49 25.164 -22.156 -16.739 1.00 14.41 C ATOM 372 C ALA A 49 24.937 -21.131 -17.835 1.00 52.13 C ATOM 373 O ALA A 49 24.537 -21.486 -18.938 1.00 50.50 O ATOM 374 CB ALA A 49 24.062 -23.197 -16.768 1.00 51.24 C ATOM 0 H ALA A 49 24.371 -21.086 -15.125 1.00 1.11 H new ATOM 0 HA ALA A 49 26.115 -22.660 -16.915 1.00 14.41 H new ATOM 0 HB1 ALA A 49 24.028 -23.664 -17.752 1.00 51.24 H new ATOM 0 HB2 ALA A 49 24.260 -23.957 -16.013 1.00 51.24 H new ATOM 0 HB3 ALA A 49 23.105 -22.719 -16.560 1.00 51.24 H new ATOM 380 N LEU A 50 25.214 -19.855 -17.546 1.00 70.20 N ATOM 381 CA LEU A 50 25.046 -18.833 -18.562 1.00 42.21 C ATOM 382 C LEU A 50 25.983 -19.087 -19.730 1.00 23.51 C ATOM 383 O LEU A 50 25.611 -18.899 -20.881 1.00 20.33 O ATOM 384 CB LEU A 50 25.225 -17.410 -18.021 1.00 22.31 C ATOM 385 CG LEU A 50 26.530 -17.103 -17.287 1.00 14.33 C ATOM 386 CD1 LEU A 50 27.641 -16.787 -18.281 1.00 22.15 C ATOM 387 CD2 LEU A 50 26.337 -15.942 -16.319 1.00 55.10 C ATOM 0 H LEU A 50 25.546 -19.520 -16.641 1.00 70.20 H new ATOM 0 HA LEU A 50 24.014 -18.902 -18.907 1.00 42.21 H new ATOM 0 HB2 LEU A 50 25.136 -16.717 -18.857 1.00 22.31 H new ATOM 0 HB3 LEU A 50 24.398 -17.199 -17.343 1.00 22.31 H new ATOM 0 HG LEU A 50 26.819 -17.985 -16.716 1.00 14.33 H new ATOM 0 HD11 LEU A 50 28.562 -16.571 -17.740 1.00 22.15 H new ATOM 0 HD12 LEU A 50 27.797 -17.644 -18.936 1.00 22.15 H new ATOM 0 HD13 LEU A 50 27.359 -15.920 -18.878 1.00 22.15 H new ATOM 0 HD21 LEU A 50 27.276 -15.737 -15.805 1.00 55.10 H new ATOM 0 HD22 LEU A 50 26.025 -15.056 -16.871 1.00 55.10 H new ATOM 0 HD23 LEU A 50 25.572 -16.202 -15.587 1.00 55.10 H new ATOM 399 N PRO A 51 27.192 -19.578 -19.446 1.00 31.35 N ATOM 400 CA PRO A 51 28.165 -19.916 -20.472 1.00 2.03 C ATOM 401 C PRO A 51 27.805 -21.252 -21.109 1.00 33.55 C ATOM 402 O PRO A 51 28.335 -21.628 -22.154 1.00 23.04 O ATOM 403 CB PRO A 51 29.482 -20.004 -19.702 1.00 24.01 C ATOM 404 CG PRO A 51 29.104 -20.325 -18.291 1.00 53.14 C ATOM 405 CD PRO A 51 27.667 -19.898 -18.101 1.00 34.33 C ATOM 0 HA PRO A 51 28.210 -19.193 -21.287 1.00 2.03 H new ATOM 0 HB2 PRO A 51 30.129 -20.776 -20.119 1.00 24.01 H new ATOM 0 HB3 PRO A 51 30.031 -19.064 -19.756 1.00 24.01 H new ATOM 0 HG2 PRO A 51 29.217 -21.392 -18.096 1.00 53.14 H new ATOM 0 HG3 PRO A 51 29.756 -19.803 -17.591 1.00 53.14 H new ATOM 0 HD2 PRO A 51 27.074 -20.694 -17.651 1.00 34.33 H new ATOM 0 HD3 PRO A 51 27.595 -19.034 -17.440 1.00 34.33 H new ATOM 413 N VAL A 52 26.873 -21.947 -20.462 1.00 1.04 N ATOM 414 CA VAL A 52 26.383 -23.230 -20.928 1.00 62.21 C ATOM 415 C VAL A 52 24.986 -23.082 -21.516 1.00 20.31 C ATOM 416 O VAL A 52 24.476 -23.994 -22.162 1.00 71.33 O ATOM 417 CB VAL A 52 26.368 -24.261 -19.781 1.00 65.14 C ATOM 418 CG1 VAL A 52 25.665 -25.541 -20.195 1.00 43.04 C ATOM 419 CG2 VAL A 52 27.785 -24.554 -19.309 1.00 34.21 C ATOM 0 H VAL A 52 26.438 -21.630 -19.596 1.00 1.04 H new ATOM 0 HA VAL A 52 27.058 -23.589 -21.705 1.00 62.21 H new ATOM 0 HB VAL A 52 25.807 -23.830 -18.952 1.00 65.14 H new ATOM 0 HG11 VAL A 52 25.673 -26.246 -19.363 1.00 43.04 H new ATOM 0 HG12 VAL A 52 24.635 -25.317 -20.472 1.00 43.04 H new ATOM 0 HG13 VAL A 52 26.182 -25.981 -21.048 1.00 43.04 H new ATOM 0 HG21 VAL A 52 27.755 -25.283 -18.500 1.00 34.21 H new ATOM 0 HG22 VAL A 52 28.369 -24.955 -20.138 1.00 34.21 H new ATOM 0 HG23 VAL A 52 28.247 -23.634 -18.951 1.00 34.21 H new ATOM 429 N VAL A 53 24.393 -21.913 -21.306 1.00 65.23 N ATOM 430 CA VAL A 53 23.076 -21.605 -21.832 1.00 21.23 C ATOM 431 C VAL A 53 23.231 -20.645 -23.002 1.00 10.54 C ATOM 432 O VAL A 53 22.452 -20.669 -23.955 1.00 52.12 O ATOM 433 CB VAL A 53 22.166 -20.974 -20.755 1.00 31.34 C ATOM 434 CG1 VAL A 53 20.840 -20.531 -21.355 1.00 41.32 C ATOM 435 CG2 VAL A 53 21.939 -21.953 -19.613 1.00 34.15 C ATOM 0 H VAL A 53 24.813 -21.156 -20.767 1.00 65.23 H new ATOM 0 HA VAL A 53 22.605 -22.532 -22.158 1.00 21.23 H new ATOM 0 HB VAL A 53 22.667 -20.091 -20.359 1.00 31.34 H new ATOM 0 HG11 VAL A 53 20.217 -20.090 -20.576 1.00 41.32 H new ATOM 0 HG12 VAL A 53 21.022 -19.792 -22.135 1.00 41.32 H new ATOM 0 HG13 VAL A 53 20.329 -21.393 -21.784 1.00 41.32 H new ATOM 0 HG21 VAL A 53 21.296 -21.494 -18.862 1.00 34.15 H new ATOM 0 HG22 VAL A 53 21.462 -22.855 -19.996 1.00 34.15 H new ATOM 0 HG23 VAL A 53 22.896 -22.213 -19.161 1.00 34.15 H new ATOM 445 N VAL A 54 24.268 -19.813 -22.925 1.00 33.42 N ATOM 446 CA VAL A 54 24.561 -18.859 -23.977 1.00 74.10 C ATOM 447 C VAL A 54 25.331 -19.527 -25.095 1.00 24.44 C ATOM 448 O VAL A 54 25.088 -19.266 -26.264 1.00 54.33 O ATOM 449 CB VAL A 54 25.382 -17.659 -23.463 1.00 44.32 C ATOM 450 CG1 VAL A 54 24.667 -16.962 -22.313 1.00 25.11 C ATOM 451 CG2 VAL A 54 26.785 -18.087 -23.049 1.00 74.01 C ATOM 0 H VAL A 54 24.918 -19.785 -22.139 1.00 33.42 H new ATOM 0 HA VAL A 54 23.602 -18.492 -24.342 1.00 74.10 H new ATOM 0 HB VAL A 54 25.478 -16.948 -24.283 1.00 44.32 H new ATOM 0 HG11 VAL A 54 25.267 -16.119 -21.969 1.00 25.11 H new ATOM 0 HG12 VAL A 54 23.696 -16.601 -22.653 1.00 25.11 H new ATOM 0 HG13 VAL A 54 24.525 -17.666 -21.493 1.00 25.11 H new ATOM 0 HG21 VAL A 54 27.339 -17.219 -22.691 1.00 74.01 H new ATOM 0 HG22 VAL A 54 26.719 -18.829 -22.253 1.00 74.01 H new ATOM 0 HG23 VAL A 54 27.301 -18.519 -23.906 1.00 74.01 H new ATOM 461 N GLY A 55 26.259 -20.394 -24.724 1.00 0.05 N ATOM 462 CA GLY A 55 27.052 -21.093 -25.713 1.00 21.33 C ATOM 463 C GLY A 55 26.203 -21.648 -26.831 1.00 1.25 C ATOM 464 O GLY A 55 26.657 -21.765 -27.965 1.00 70.04 O ATOM 0 H GLY A 55 26.478 -20.627 -23.755 1.00 0.05 H new ATOM 0 HA2 GLY A 55 27.797 -20.413 -26.127 1.00 21.33 H new ATOM 0 HA3 GLY A 55 27.595 -21.907 -25.233 1.00 21.33 H new ATOM 468 N ILE A 56 24.956 -21.973 -26.512 1.00 60.21 N ATOM 469 CA ILE A 56 24.033 -22.500 -27.515 1.00 51.44 C ATOM 470 C ILE A 56 23.366 -21.351 -28.252 1.00 74.50 C ATOM 471 O ILE A 56 23.155 -21.408 -29.464 1.00 61.22 O ATOM 472 CB ILE A 56 22.944 -23.399 -26.895 1.00 32.24 C ATOM 473 CG1 ILE A 56 23.489 -24.146 -25.682 1.00 72.25 C ATOM 474 CG2 ILE A 56 22.411 -24.377 -27.932 1.00 43.14 C ATOM 475 CD1 ILE A 56 23.155 -23.469 -24.375 1.00 50.45 C ATOM 0 H ILE A 56 24.561 -21.883 -25.576 1.00 60.21 H new ATOM 0 HA ILE A 56 24.619 -23.109 -28.203 1.00 51.44 H new ATOM 0 HB ILE A 56 22.122 -22.765 -26.563 1.00 32.24 H new ATOM 0 HG12 ILE A 56 23.086 -25.159 -25.674 1.00 72.25 H new ATOM 0 HG13 ILE A 56 24.572 -24.235 -25.773 1.00 72.25 H new ATOM 0 HG21 ILE A 56 21.643 -25.005 -27.479 1.00 43.14 H new ATOM 0 HG22 ILE A 56 21.982 -23.824 -28.767 1.00 43.14 H new ATOM 0 HG23 ILE A 56 23.226 -25.004 -28.293 1.00 43.14 H new ATOM 0 HD11 ILE A 56 23.569 -24.047 -23.549 1.00 50.45 H new ATOM 0 HD12 ILE A 56 23.581 -22.466 -24.365 1.00 50.45 H new ATOM 0 HD13 ILE A 56 22.073 -23.404 -24.265 1.00 50.45 H new ATOM 487 N LYS A 57 23.060 -20.294 -27.512 1.00 34.13 N ATOM 488 CA LYS A 57 22.450 -19.111 -28.094 1.00 61.02 C ATOM 489 C LYS A 57 23.514 -18.288 -28.808 1.00 13.23 C ATOM 490 O LYS A 57 23.208 -17.492 -29.696 1.00 21.32 O ATOM 491 CB LYS A 57 21.765 -18.273 -27.012 1.00 11.55 C ATOM 492 CG LYS A 57 20.262 -18.485 -26.937 1.00 65.33 C ATOM 493 CD LYS A 57 19.528 -17.186 -26.645 1.00 32.13 C ATOM 494 CE LYS A 57 19.190 -17.058 -25.168 1.00 54.44 C ATOM 495 NZ LYS A 57 17.906 -16.335 -24.952 1.00 43.23 N ATOM 0 H LYS A 57 23.225 -20.234 -26.507 1.00 34.13 H new ATOM 0 HA LYS A 57 21.693 -19.420 -28.815 1.00 61.02 H new ATOM 0 HB2 LYS A 57 22.206 -18.514 -26.045 1.00 11.55 H new ATOM 0 HB3 LYS A 57 21.966 -17.218 -27.200 1.00 11.55 H new ATOM 0 HG2 LYS A 57 19.905 -18.901 -27.879 1.00 65.33 H new ATOM 0 HG3 LYS A 57 20.035 -19.215 -26.160 1.00 65.33 H new ATOM 0 HD2 LYS A 57 20.144 -16.341 -26.953 1.00 32.13 H new ATOM 0 HD3 LYS A 57 18.612 -17.144 -27.234 1.00 32.13 H new ATOM 0 HE2 LYS A 57 19.127 -18.051 -24.723 1.00 54.44 H new ATOM 0 HE3 LYS A 57 19.994 -16.530 -24.656 1.00 54.44 H new ATOM 0 HZ1 LYS A 57 17.712 -16.269 -23.932 1.00 43.23 H new ATOM 0 HZ2 LYS A 57 17.974 -15.378 -25.354 1.00 43.23 H new ATOM 0 HZ3 LYS A 57 17.134 -16.852 -25.419 1.00 43.23 H new ATOM 509 N ALA A 58 24.771 -18.498 -28.418 1.00 43.04 N ATOM 510 CA ALA A 58 25.888 -17.791 -29.023 1.00 42.15 C ATOM 511 C ALA A 58 26.359 -18.518 -30.279 1.00 33.43 C ATOM 512 O ALA A 58 26.898 -17.907 -31.201 1.00 45.14 O ATOM 513 CB ALA A 58 27.023 -17.646 -28.020 1.00 2.42 C ATOM 0 H ALA A 58 25.037 -19.154 -27.684 1.00 43.04 H new ATOM 0 HA ALA A 58 25.559 -16.793 -29.313 1.00 42.15 H new ATOM 0 HB1 ALA A 58 27.854 -17.115 -28.485 1.00 2.42 H new ATOM 0 HB2 ALA A 58 26.673 -17.085 -27.153 1.00 2.42 H new ATOM 0 HB3 ALA A 58 27.356 -18.634 -27.702 1.00 2.42 H new ATOM 519 N ILE A 59 26.136 -19.830 -30.309 1.00 55.15 N ATOM 520 CA ILE A 59 26.519 -20.650 -31.452 1.00 45.21 C ATOM 521 C ILE A 59 25.375 -20.742 -32.447 1.00 62.30 C ATOM 522 O ILE A 59 25.566 -20.579 -33.651 1.00 40.53 O ATOM 523 CB ILE A 59 26.937 -22.066 -31.017 1.00 33.31 C ATOM 524 CG1 ILE A 59 25.796 -22.782 -30.295 1.00 53.44 C ATOM 525 CG2 ILE A 59 28.160 -21.983 -30.129 1.00 72.31 C ATOM 526 CD1 ILE A 59 24.910 -23.592 -31.217 1.00 23.55 C ATOM 0 H ILE A 59 25.691 -20.348 -29.551 1.00 55.15 H new ATOM 0 HA ILE A 59 27.375 -20.169 -31.925 1.00 45.21 H new ATOM 0 HB ILE A 59 27.178 -22.647 -31.907 1.00 33.31 H new ATOM 0 HG12 ILE A 59 26.215 -23.442 -29.535 1.00 53.44 H new ATOM 0 HG13 ILE A 59 25.186 -22.043 -29.775 1.00 53.44 H new ATOM 0 HG21 ILE A 59 28.455 -22.986 -29.822 1.00 72.31 H new ATOM 0 HG22 ILE A 59 28.978 -21.517 -30.679 1.00 72.31 H new ATOM 0 HG23 ILE A 59 27.929 -21.386 -29.247 1.00 72.31 H new ATOM 0 HD11 ILE A 59 24.123 -24.072 -30.636 1.00 23.55 H new ATOM 0 HD12 ILE A 59 24.462 -22.934 -31.962 1.00 23.55 H new ATOM 0 HD13 ILE A 59 25.507 -24.354 -31.718 1.00 23.55 H new ATOM 538 N GLY A 60 24.178 -20.978 -31.928 1.00 65.43 N ATOM 539 CA GLY A 60 23.009 -21.055 -32.775 1.00 52.14 C ATOM 540 C GLY A 60 22.371 -19.694 -32.957 1.00 2.34 C ATOM 541 O GLY A 60 21.376 -19.555 -33.670 1.00 22.32 O ATOM 0 H GLY A 60 23.997 -21.117 -30.934 1.00 65.43 H new ATOM 0 HA2 GLY A 60 23.288 -21.461 -33.747 1.00 52.14 H new ATOM 0 HA3 GLY A 60 22.285 -21.743 -32.338 1.00 52.14 H new ATOM 545 N LYS A 61 22.951 -18.685 -32.306 1.00 32.42 N ATOM 546 CA LYS A 61 22.438 -17.323 -32.396 1.00 4.02 C ATOM 547 C LYS A 61 21.000 -17.250 -31.892 1.00 44.24 C ATOM 548 O LYS A 61 20.429 -16.139 -31.896 1.00 23.03 O ATOM 549 CB LYS A 61 22.513 -16.821 -33.839 1.00 30.00 C ATOM 550 CG LYS A 61 23.781 -16.044 -34.148 1.00 33.13 C ATOM 551 CD LYS A 61 23.757 -15.473 -35.556 1.00 71.04 C ATOM 552 CE LYS A 61 25.090 -14.840 -35.924 1.00 34.02 C ATOM 553 NZ LYS A 61 25.462 -15.115 -37.340 1.00 32.12 N ATOM 554 OXT LYS A 61 20.457 -18.303 -31.498 1.00 38.35 O ATOM 0 H LYS A 61 23.774 -18.788 -31.713 1.00 32.42 H new ATOM 0 HA LYS A 61 23.057 -16.685 -31.766 1.00 4.02 H new ATOM 0 HB2 LYS A 61 22.445 -17.673 -34.515 1.00 30.00 H new ATOM 0 HB3 LYS A 61 21.650 -16.186 -34.039 1.00 30.00 H new ATOM 0 HG2 LYS A 61 23.897 -15.234 -33.428 1.00 33.13 H new ATOM 0 HG3 LYS A 61 24.646 -16.698 -34.034 1.00 33.13 H new ATOM 0 HD2 LYS A 61 23.521 -16.265 -36.267 1.00 71.04 H new ATOM 0 HD3 LYS A 61 22.965 -14.728 -35.634 1.00 71.04 H new ATOM 0 HE2 LYS A 61 25.037 -13.763 -35.765 1.00 34.02 H new ATOM 0 HE3 LYS A 61 25.868 -15.222 -35.263 1.00 34.02 H new ATOM 0 HZ1 LYS A 61 26.376 -14.667 -37.552 1.00 32.12 H new ATOM 0 HZ2 LYS A 61 25.538 -16.142 -37.486 1.00 32.12 H new ATOM 0 HZ3 LYS A 61 24.732 -14.728 -37.972 1.00 32.12 H new TER 568 LYS A 61