USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 358 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -163:sc= -1.32 (180deg=-2.55) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0362) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.431 -4.322 18.079 1.00 3.23 N ATOM 2 CA LYS A 1 -8.878 -3.446 17.052 1.00 34.15 C ATOM 3 C LYS A 1 -9.566 -3.678 15.711 1.00 14.23 C ATOM 4 O LYS A 1 -9.751 -4.818 15.287 1.00 40.32 O ATOM 5 CB LYS A 1 -7.372 -3.680 16.912 1.00 41.01 C ATOM 6 CG LYS A 1 -6.644 -3.770 18.242 1.00 74.53 C ATOM 7 CD LYS A 1 -6.161 -5.185 18.517 1.00 42.03 C ATOM 8 CE LYS A 1 -7.140 -5.946 19.397 1.00 74.32 C ATOM 9 NZ LYS A 1 -6.445 -6.699 20.479 1.00 61.03 N ATOM 0 H1 LYS A 1 -9.169 -3.963 19.019 1.00 3.23 H new ATOM 0 H2 LYS A 1 -10.467 -4.346 17.994 1.00 3.23 H new ATOM 0 H3 LYS A 1 -9.051 -5.283 17.957 1.00 3.23 H new ATOM 0 HA LYS A 1 -9.053 -2.414 17.356 1.00 34.15 H new ATOM 0 HB2 LYS A 1 -7.206 -4.601 16.354 1.00 41.01 H new ATOM 0 HB3 LYS A 1 -6.940 -2.870 16.325 1.00 41.01 H new ATOM 0 HG2 LYS A 1 -5.794 -3.088 18.240 1.00 74.53 H new ATOM 0 HG3 LYS A 1 -7.308 -3.449 19.044 1.00 74.53 H new ATOM 0 HD2 LYS A 1 -6.029 -5.716 17.574 1.00 42.03 H new ATOM 0 HD3 LYS A 1 -5.185 -5.150 19.002 1.00 42.03 H new ATOM 0 HE2 LYS A 1 -7.850 -5.247 19.839 1.00 74.32 H new ATOM 0 HE3 LYS A 1 -7.716 -6.640 18.784 1.00 74.32 H new ATOM 0 HZ1 LYS A 1 -7.147 -7.204 21.057 1.00 61.03 H new ATOM 0 HZ2 LYS A 1 -5.786 -7.384 20.057 1.00 61.03 H new ATOM 0 HZ3 LYS A 1 -5.916 -6.035 21.080 1.00 61.03 H new ATOM 23 N ARG A 2 -9.943 -2.588 15.049 1.00 72.24 N ATOM 24 CA ARG A 2 -10.610 -2.673 13.755 1.00 74.40 C ATOM 25 C ARG A 2 -9.687 -2.206 12.634 1.00 25.44 C ATOM 26 O ARG A 2 -10.136 -1.916 11.526 1.00 3.11 O ATOM 27 CB ARG A 2 -11.888 -1.833 13.761 1.00 52.12 C ATOM 28 CG ARG A 2 -12.860 -2.195 12.650 1.00 2.33 C ATOM 29 CD ARG A 2 -14.303 -1.979 13.079 1.00 25.34 C ATOM 30 NE ARG A 2 -14.782 -0.642 12.739 1.00 31.20 N ATOM 31 CZ ARG A 2 -15.197 -0.297 11.525 1.00 74.40 C ATOM 32 NH1 ARG A 2 -15.193 -1.187 10.542 1.00 31.02 N ATOM 33 NH2 ARG A 2 -15.619 0.939 11.293 1.00 42.34 N ATOM 0 H ARG A 2 -9.798 -1.637 15.387 1.00 72.24 H new ATOM 0 HA ARG A 2 -10.869 -3.717 13.576 1.00 74.40 H new ATOM 0 HB2 ARG A 2 -12.387 -1.953 14.722 1.00 52.12 H new ATOM 0 HB3 ARG A 2 -11.621 -0.780 13.670 1.00 52.12 H new ATOM 0 HG2 ARG A 2 -12.647 -1.591 11.768 1.00 2.33 H new ATOM 0 HG3 ARG A 2 -12.716 -3.237 12.365 1.00 2.33 H new ATOM 0 HD2 ARG A 2 -14.939 -2.724 12.600 1.00 25.34 H new ATOM 0 HD3 ARG A 2 -14.388 -2.131 14.155 1.00 25.34 H new ATOM 0 HE ARG A 2 -14.799 0.065 13.474 1.00 31.20 H new ATOM 0 HH11 ARG A 2 -14.871 -2.139 10.717 1.00 31.02 H new ATOM 0 HH12 ARG A 2 -15.512 -0.920 9.611 1.00 31.02 H new ATOM 0 HH21 ARG A 2 -15.625 1.626 12.047 1.00 42.34 H new ATOM 0 HH22 ARG A 2 -15.937 1.203 10.360 1.00 42.34 H new ATOM 47 N PHE A 3 -8.393 -2.137 12.932 1.00 3.23 N ATOM 48 CA PHE A 3 -7.405 -1.703 11.951 1.00 41.22 C ATOM 49 C PHE A 3 -7.465 -2.574 10.698 1.00 23.51 C ATOM 50 O PHE A 3 -7.065 -2.150 9.614 1.00 14.23 O ATOM 51 CB PHE A 3 -6.000 -1.752 12.553 1.00 34.35 C ATOM 52 CG PHE A 3 -5.435 -3.141 12.644 1.00 21.31 C ATOM 53 CD1 PHE A 3 -4.716 -3.680 11.589 1.00 20.34 C ATOM 54 CD2 PHE A 3 -5.622 -3.906 13.784 1.00 43.14 C ATOM 55 CE1 PHE A 3 -4.195 -4.958 11.670 1.00 60.31 C ATOM 56 CE2 PHE A 3 -5.103 -5.184 13.870 1.00 31.43 C ATOM 57 CZ PHE A 3 -4.388 -5.710 12.812 1.00 60.33 C ATOM 0 H PHE A 3 -8.005 -2.376 13.844 1.00 3.23 H new ATOM 0 HA PHE A 3 -7.636 -0.675 11.670 1.00 41.22 H new ATOM 0 HB2 PHE A 3 -5.333 -1.136 11.950 1.00 34.35 H new ATOM 0 HB3 PHE A 3 -6.025 -1.312 13.550 1.00 34.35 H new ATOM 0 HD1 PHE A 3 -4.561 -3.096 10.694 1.00 20.34 H new ATOM 0 HD2 PHE A 3 -6.180 -3.499 14.615 1.00 43.14 H new ATOM 0 HE1 PHE A 3 -3.638 -5.368 10.841 1.00 60.31 H new ATOM 0 HE2 PHE A 3 -5.256 -5.771 14.764 1.00 31.43 H new ATOM 0 HZ PHE A 3 -3.980 -6.708 12.878 1.00 60.33 H new ATOM 67 N LYS A 4 -7.965 -3.794 10.858 1.00 41.14 N ATOM 68 CA LYS A 4 -8.077 -4.726 9.741 1.00 32.55 C ATOM 69 C LYS A 4 -8.792 -4.078 8.561 1.00 43.31 C ATOM 70 O LYS A 4 -8.351 -4.191 7.417 1.00 74.43 O ATOM 71 CB LYS A 4 -8.830 -5.986 10.177 1.00 14.53 C ATOM 72 CG LYS A 4 -8.075 -7.273 9.896 1.00 54.14 C ATOM 73 CD LYS A 4 -8.833 -8.163 8.923 1.00 53.11 C ATOM 74 CE LYS A 4 -7.987 -9.344 8.474 1.00 51.35 C ATOM 75 NZ LYS A 4 -8.810 -10.396 7.814 1.00 62.33 N ATOM 0 H LYS A 4 -8.299 -4.161 11.749 1.00 41.14 H new ATOM 0 HA LYS A 4 -7.070 -5.001 9.426 1.00 32.55 H new ATOM 0 HB2 LYS A 4 -9.039 -5.923 11.245 1.00 14.53 H new ATOM 0 HB3 LYS A 4 -9.792 -6.020 9.665 1.00 14.53 H new ATOM 0 HG2 LYS A 4 -7.093 -7.038 9.486 1.00 54.14 H new ATOM 0 HG3 LYS A 4 -7.910 -7.811 10.830 1.00 54.14 H new ATOM 0 HD2 LYS A 4 -9.745 -8.526 9.396 1.00 53.11 H new ATOM 0 HD3 LYS A 4 -9.135 -7.579 8.054 1.00 53.11 H new ATOM 0 HE2 LYS A 4 -7.218 -8.998 7.784 1.00 51.35 H new ATOM 0 HE3 LYS A 4 -7.474 -9.771 9.335 1.00 51.35 H new ATOM 0 HZ1 LYS A 4 -8.197 -11.184 7.522 1.00 62.33 H new ATOM 0 HZ2 LYS A 4 -9.528 -10.744 8.481 1.00 62.33 H new ATOM 0 HZ3 LYS A 4 -9.280 -9.995 6.977 1.00 62.33 H new ATOM 89 N LYS A 5 -9.895 -3.395 8.845 1.00 52.51 N ATOM 90 CA LYS A 5 -10.669 -2.724 7.806 1.00 31.54 C ATOM 91 C LYS A 5 -9.852 -1.619 7.146 1.00 63.11 C ATOM 92 O LYS A 5 -10.069 -1.284 5.981 1.00 32.20 O ATOM 93 CB LYS A 5 -11.954 -2.138 8.398 1.00 64.11 C ATOM 94 CG LYS A 5 -13.091 -3.140 8.495 1.00 22.44 C ATOM 95 CD LYS A 5 -12.788 -4.229 9.511 1.00 33.51 C ATOM 96 CE LYS A 5 -14.052 -4.960 9.939 1.00 52.23 C ATOM 97 NZ LYS A 5 -13.839 -5.760 11.176 1.00 11.24 N ATOM 0 H LYS A 5 -10.274 -3.291 9.786 1.00 52.51 H new ATOM 0 HA LYS A 5 -10.928 -3.462 7.047 1.00 31.54 H new ATOM 0 HB2 LYS A 5 -11.740 -1.746 9.392 1.00 64.11 H new ATOM 0 HB3 LYS A 5 -12.275 -1.295 7.786 1.00 64.11 H new ATOM 0 HG2 LYS A 5 -14.009 -2.624 8.776 1.00 22.44 H new ATOM 0 HG3 LYS A 5 -13.265 -3.591 7.518 1.00 22.44 H new ATOM 0 HD2 LYS A 5 -12.082 -4.941 9.083 1.00 33.51 H new ATOM 0 HD3 LYS A 5 -12.307 -3.789 10.385 1.00 33.51 H new ATOM 0 HE2 LYS A 5 -14.850 -4.237 10.107 1.00 52.23 H new ATOM 0 HE3 LYS A 5 -14.382 -5.617 9.134 1.00 52.23 H new ATOM 0 HZ1 LYS A 5 -14.671 -6.360 11.349 1.00 11.24 H new ATOM 0 HZ2 LYS A 5 -12.998 -6.360 11.061 1.00 11.24 H new ATOM 0 HZ3 LYS A 5 -13.699 -5.120 11.984 1.00 11.24 H new ATOM 111 N PHE A 6 -8.908 -1.058 7.896 1.00 34.11 N ATOM 112 CA PHE A 6 -8.057 0.008 7.382 1.00 13.43 C ATOM 113 C PHE A 6 -6.934 -0.560 6.520 1.00 11.31 C ATOM 114 O PHE A 6 -6.420 0.114 5.627 1.00 54.45 O ATOM 115 CB PHE A 6 -7.468 0.820 8.537 1.00 4.14 C ATOM 116 CG PHE A 6 -6.547 1.920 8.089 1.00 15.23 C ATOM 117 CD1 PHE A 6 -6.923 2.785 7.073 1.00 60.42 C ATOM 118 CD2 PHE A 6 -5.306 2.088 8.683 1.00 75.02 C ATOM 119 CE1 PHE A 6 -6.079 3.797 6.659 1.00 45.03 C ATOM 120 CE2 PHE A 6 -4.458 3.099 8.272 1.00 72.33 C ATOM 121 CZ PHE A 6 -4.844 3.954 7.258 1.00 21.23 C ATOM 0 H PHE A 6 -8.714 -1.324 8.861 1.00 34.11 H new ATOM 0 HA PHE A 6 -8.671 0.662 6.763 1.00 13.43 H new ATOM 0 HB2 PHE A 6 -8.282 1.253 9.118 1.00 4.14 H new ATOM 0 HB3 PHE A 6 -6.923 0.149 9.201 1.00 4.14 H new ATOM 0 HD1 PHE A 6 -7.887 2.666 6.600 1.00 60.42 H new ATOM 0 HD2 PHE A 6 -4.998 1.422 9.475 1.00 75.02 H new ATOM 0 HE1 PHE A 6 -6.384 4.465 5.867 1.00 45.03 H new ATOM 0 HE2 PHE A 6 -3.494 3.221 8.743 1.00 72.33 H new ATOM 0 HZ PHE A 6 -4.182 4.743 6.934 1.00 21.23 H new ATOM 131 N PHE A 7 -6.556 -1.804 6.795 1.00 54.30 N ATOM 132 CA PHE A 7 -5.493 -2.464 6.046 1.00 52.22 C ATOM 133 C PHE A 7 -5.739 -2.356 4.544 1.00 74.41 C ATOM 134 O PHE A 7 -4.837 -2.015 3.778 1.00 42.20 O ATOM 135 CB PHE A 7 -5.391 -3.935 6.454 1.00 61.41 C ATOM 136 CG PHE A 7 -4.176 -4.626 5.903 1.00 73.23 C ATOM 137 CD1 PHE A 7 -2.919 -4.060 6.040 1.00 73.34 C ATOM 138 CD2 PHE A 7 -4.292 -5.842 5.248 1.00 44.23 C ATOM 139 CE1 PHE A 7 -1.800 -4.694 5.533 1.00 30.53 C ATOM 140 CE2 PHE A 7 -3.177 -6.480 4.740 1.00 31.21 C ATOM 141 CZ PHE A 7 -1.929 -5.907 4.883 1.00 4.25 C ATOM 0 H PHE A 7 -6.970 -2.376 7.531 1.00 54.30 H new ATOM 0 HA PHE A 7 -4.553 -1.964 6.279 1.00 52.22 H new ATOM 0 HB2 PHE A 7 -5.376 -4.002 7.542 1.00 61.41 H new ATOM 0 HB3 PHE A 7 -6.284 -4.461 6.115 1.00 61.41 H new ATOM 0 HD1 PHE A 7 -2.812 -3.113 6.548 1.00 73.34 H new ATOM 0 HD2 PHE A 7 -5.265 -6.296 5.133 1.00 44.23 H new ATOM 0 HE1 PHE A 7 -0.826 -4.242 5.645 1.00 30.53 H new ATOM 0 HE2 PHE A 7 -3.281 -7.427 4.231 1.00 31.21 H new ATOM 0 HZ PHE A 7 -1.056 -6.405 4.488 1.00 4.25 H new ATOM 151 N LYS A 8 -6.965 -2.651 4.128 1.00 54.23 N ATOM 152 CA LYS A 8 -7.333 -2.588 2.718 1.00 20.32 C ATOM 153 C LYS A 8 -7.205 -1.165 2.186 1.00 5.14 C ATOM 154 O LYS A 8 -6.907 -0.955 1.009 1.00 13.31 O ATOM 155 CB LYS A 8 -8.764 -3.091 2.520 1.00 74.14 C ATOM 156 CG LYS A 8 -9.056 -4.397 3.239 1.00 61.00 C ATOM 157 CD LYS A 8 -8.068 -5.483 2.845 1.00 12.21 C ATOM 158 CE LYS A 8 -8.718 -6.858 2.859 1.00 61.24 C ATOM 159 NZ LYS A 8 -9.242 -7.237 1.518 1.00 72.42 N ATOM 0 H LYS A 8 -7.723 -2.937 4.748 1.00 54.23 H new ATOM 0 HA LYS A 8 -6.649 -3.229 2.161 1.00 20.32 H new ATOM 0 HB2 LYS A 8 -9.460 -2.329 2.872 1.00 74.14 H new ATOM 0 HB3 LYS A 8 -8.949 -3.224 1.454 1.00 74.14 H new ATOM 0 HG2 LYS A 8 -9.013 -4.238 4.316 1.00 61.00 H new ATOM 0 HG3 LYS A 8 -10.069 -4.723 3.005 1.00 61.00 H new ATOM 0 HD2 LYS A 8 -7.675 -5.275 1.850 1.00 12.21 H new ATOM 0 HD3 LYS A 8 -7.221 -5.472 3.531 1.00 12.21 H new ATOM 0 HE2 LYS A 8 -7.991 -7.600 3.188 1.00 61.24 H new ATOM 0 HE3 LYS A 8 -9.533 -6.867 3.583 1.00 61.24 H new ATOM 0 HZ1 LYS A 8 -9.677 -8.180 1.569 1.00 72.42 H new ATOM 0 HZ2 LYS A 8 -9.955 -6.543 1.215 1.00 72.42 H new ATOM 0 HZ3 LYS A 8 -8.461 -7.253 0.832 1.00 72.42 H new ATOM 173 N LYS A 9 -7.428 -0.189 3.060 1.00 51.51 N ATOM 174 CA LYS A 9 -7.335 1.215 2.679 1.00 41.32 C ATOM 175 C LYS A 9 -5.882 1.624 2.455 1.00 72.44 C ATOM 176 O LYS A 9 -5.580 2.416 1.562 1.00 73.34 O ATOM 177 CB LYS A 9 -7.963 2.101 3.758 1.00 70.42 C ATOM 178 CG LYS A 9 -7.897 3.584 3.441 1.00 12.43 C ATOM 179 CD LYS A 9 -8.993 4.357 4.158 1.00 21.42 C ATOM 180 CE LYS A 9 -8.455 5.633 4.786 1.00 34.15 C ATOM 181 NZ LYS A 9 -9.474 6.719 4.794 1.00 3.22 N ATOM 0 H LYS A 9 -7.675 -0.345 4.037 1.00 51.51 H new ATOM 0 HA LYS A 9 -7.880 1.348 1.745 1.00 41.32 H new ATOM 0 HB2 LYS A 9 -9.006 1.813 3.892 1.00 70.42 H new ATOM 0 HB3 LYS A 9 -7.458 1.918 4.706 1.00 70.42 H new ATOM 0 HG2 LYS A 9 -6.923 3.976 3.733 1.00 12.43 H new ATOM 0 HG3 LYS A 9 -7.991 3.732 2.365 1.00 12.43 H new ATOM 0 HD2 LYS A 9 -9.787 4.604 3.453 1.00 21.42 H new ATOM 0 HD3 LYS A 9 -9.437 3.729 4.930 1.00 21.42 H new ATOM 0 HE2 LYS A 9 -8.135 5.428 5.807 1.00 34.15 H new ATOM 0 HE3 LYS A 9 -7.574 5.965 4.236 1.00 34.15 H new ATOM 0 HZ1 LYS A 9 -9.069 7.572 5.230 1.00 3.22 H new ATOM 0 HZ2 LYS A 9 -9.762 6.932 3.818 1.00 3.22 H new ATOM 0 HZ3 LYS A 9 -10.304 6.412 5.340 1.00 3.22 H new ATOM 195 N VAL A 10 -4.986 1.076 3.269 1.00 21.01 N ATOM 196 CA VAL A 10 -3.564 1.380 3.159 1.00 51.45 C ATOM 197 C VAL A 10 -2.920 0.591 2.024 1.00 14.20 C ATOM 198 O VAL A 10 -1.935 1.029 1.429 1.00 34.23 O ATOM 199 CB VAL A 10 -2.820 1.073 4.471 1.00 64.54 C ATOM 200 CG1 VAL A 10 -1.493 1.815 4.519 1.00 30.13 C ATOM 201 CG2 VAL A 10 -3.685 1.430 5.670 1.00 22.24 C ATOM 0 H VAL A 10 -5.220 0.418 4.013 1.00 21.01 H new ATOM 0 HA VAL A 10 -3.484 2.446 2.947 1.00 51.45 H new ATOM 0 HB VAL A 10 -2.612 0.004 4.509 1.00 64.54 H new ATOM 0 HG11 VAL A 10 -0.981 1.586 5.454 1.00 30.13 H new ATOM 0 HG12 VAL A 10 -0.872 1.504 3.679 1.00 30.13 H new ATOM 0 HG13 VAL A 10 -1.674 2.888 4.458 1.00 30.13 H new ATOM 0 HG21 VAL A 10 -3.143 1.206 6.589 1.00 22.24 H new ATOM 0 HG22 VAL A 10 -3.927 2.492 5.641 1.00 22.24 H new ATOM 0 HG23 VAL A 10 -4.606 0.847 5.641 1.00 22.24 H new ATOM 211 N LYS A 11 -3.484 -0.575 1.727 1.00 32.34 N ATOM 212 CA LYS A 11 -2.967 -1.426 0.663 1.00 40.24 C ATOM 213 C LYS A 11 -2.798 -0.637 -0.631 1.00 0.11 C ATOM 214 O LYS A 11 -1.914 -0.928 -1.438 1.00 71.14 O ATOM 215 CB LYS A 11 -3.905 -2.613 0.430 1.00 5.11 C ATOM 216 CG LYS A 11 -3.799 -3.690 1.496 1.00 73.22 C ATOM 217 CD LYS A 11 -3.085 -4.925 0.972 1.00 34.41 C ATOM 218 CE LYS A 11 -4.020 -5.804 0.155 1.00 10.50 C ATOM 219 NZ LYS A 11 -3.425 -6.176 -1.158 1.00 60.11 N ATOM 0 H LYS A 11 -4.300 -0.952 2.209 1.00 32.34 H new ATOM 0 HA LYS A 11 -1.990 -1.798 0.972 1.00 40.24 H new ATOM 0 HB2 LYS A 11 -4.933 -2.251 0.392 1.00 5.11 H new ATOM 0 HB3 LYS A 11 -3.686 -3.053 -0.543 1.00 5.11 H new ATOM 0 HG2 LYS A 11 -3.262 -3.297 2.359 1.00 73.22 H new ATOM 0 HG3 LYS A 11 -4.797 -3.963 1.839 1.00 73.22 H new ATOM 0 HD2 LYS A 11 -2.237 -4.623 0.357 1.00 34.41 H new ATOM 0 HD3 LYS A 11 -2.684 -5.497 1.809 1.00 34.41 H new ATOM 0 HE2 LYS A 11 -4.252 -6.708 0.718 1.00 10.50 H new ATOM 0 HE3 LYS A 11 -4.961 -5.279 -0.008 1.00 10.50 H new ATOM 0 HZ1 LYS A 11 -4.093 -6.775 -1.685 1.00 60.11 H new ATOM 0 HZ2 LYS A 11 -3.226 -5.315 -1.706 1.00 60.11 H new ATOM 0 HZ3 LYS A 11 -2.540 -6.699 -1.002 1.00 60.11 H new ATOM 233 N LYS A 12 -3.649 0.365 -0.824 1.00 73.31 N ATOM 234 CA LYS A 12 -3.593 1.198 -2.018 1.00 5.14 C ATOM 235 C LYS A 12 -2.465 2.221 -1.916 1.00 63.22 C ATOM 236 O LYS A 12 -1.636 2.335 -2.818 1.00 45.23 O ATOM 237 CB LYS A 12 -4.928 1.916 -2.228 1.00 1.34 C ATOM 238 CG LYS A 12 -5.846 1.219 -3.217 1.00 23.34 C ATOM 239 CD LYS A 12 -5.900 1.958 -4.543 1.00 72.43 C ATOM 240 CE LYS A 12 -7.126 1.561 -5.352 1.00 14.45 C ATOM 241 NZ LYS A 12 -6.756 0.946 -6.656 1.00 20.40 N ATOM 0 H LYS A 12 -4.387 0.620 -0.167 1.00 73.31 H new ATOM 0 HA LYS A 12 -3.397 0.550 -2.873 1.00 5.14 H new ATOM 0 HB2 LYS A 12 -5.439 2.002 -1.269 1.00 1.34 H new ATOM 0 HB3 LYS A 12 -4.734 2.930 -2.578 1.00 1.34 H new ATOM 0 HG2 LYS A 12 -5.498 0.199 -3.382 1.00 23.34 H new ATOM 0 HG3 LYS A 12 -6.849 1.149 -2.797 1.00 23.34 H new ATOM 0 HD2 LYS A 12 -5.915 3.033 -4.362 1.00 72.43 H new ATOM 0 HD3 LYS A 12 -4.999 1.744 -5.117 1.00 72.43 H new ATOM 0 HE2 LYS A 12 -7.728 0.858 -4.777 1.00 14.45 H new ATOM 0 HE3 LYS A 12 -7.745 2.441 -5.528 1.00 14.45 H new ATOM 0 HZ1 LYS A 12 -7.619 0.690 -7.176 1.00 20.40 H new ATOM 0 HZ2 LYS A 12 -6.203 1.626 -7.216 1.00 20.40 H new ATOM 0 HZ3 LYS A 12 -6.187 0.092 -6.488 1.00 20.40 H new ATOM 255 N SER A 13 -2.441 2.960 -0.811 1.00 63.45 N ATOM 256 CA SER A 13 -1.415 3.973 -0.592 1.00 62.04 C ATOM 257 C SER A 13 -0.025 3.343 -0.563 1.00 33.34 C ATOM 258 O SER A 13 0.864 3.738 -1.317 1.00 64.11 O ATOM 259 CB SER A 13 -1.677 4.719 0.718 1.00 41.14 C ATOM 260 OG SER A 13 -2.261 5.987 0.474 1.00 45.12 O ATOM 0 H SER A 13 -3.120 2.876 -0.054 1.00 63.45 H new ATOM 0 HA SER A 13 -1.456 4.681 -1.420 1.00 62.04 H new ATOM 0 HB2 SER A 13 -2.337 4.127 1.352 1.00 41.14 H new ATOM 0 HB3 SER A 13 -0.741 4.845 1.262 1.00 41.14 H new ATOM 0 HG SER A 13 -2.420 6.443 1.327 1.00 45.12 H new ATOM 266 N VAL A 14 0.154 2.360 0.314 1.00 14.11 N ATOM 267 CA VAL A 14 1.432 1.674 0.443 1.00 63.43 C ATOM 268 C VAL A 14 1.867 1.067 -0.887 1.00 2.01 C ATOM 269 O VAL A 14 3.056 1.024 -1.203 1.00 64.43 O ATOM 270 CB VAL A 14 1.369 0.561 1.505 1.00 31.02 C ATOM 271 CG1 VAL A 14 2.627 -0.293 1.461 1.00 33.23 C ATOM 272 CG2 VAL A 14 1.168 1.158 2.890 1.00 53.23 C ATOM 0 H VAL A 14 -0.572 2.021 0.946 1.00 14.11 H new ATOM 0 HA VAL A 14 2.161 2.422 0.755 1.00 63.43 H new ATOM 0 HB VAL A 14 0.516 -0.081 1.283 1.00 31.02 H new ATOM 0 HG11 VAL A 14 2.563 -1.074 2.219 1.00 33.23 H new ATOM 0 HG12 VAL A 14 2.722 -0.750 0.476 1.00 33.23 H new ATOM 0 HG13 VAL A 14 3.498 0.332 1.656 1.00 33.23 H new ATOM 0 HG21 VAL A 14 1.126 0.358 3.629 1.00 53.23 H new ATOM 0 HG22 VAL A 14 1.999 1.824 3.123 1.00 53.23 H new ATOM 0 HG23 VAL A 14 0.235 1.721 2.912 1.00 53.23 H new ATOM 282 N LYS A 15 0.895 0.600 -1.663 1.00 23.23 N ATOM 283 CA LYS A 15 1.176 -0.003 -2.961 1.00 14.34 C ATOM 284 C LYS A 15 2.048 0.914 -3.810 1.00 5.11 C ATOM 285 O LYS A 15 3.038 0.478 -4.400 1.00 72.32 O ATOM 286 CB LYS A 15 -0.132 -0.307 -3.697 1.00 65.31 C ATOM 287 CG LYS A 15 -0.450 -1.789 -3.784 1.00 72.14 C ATOM 288 CD LYS A 15 -1.797 -2.033 -4.443 1.00 51.13 C ATOM 289 CE LYS A 15 -1.701 -1.940 -5.959 1.00 34.55 C ATOM 290 NZ LYS A 15 -2.668 -2.850 -6.633 1.00 73.41 N ATOM 0 H LYS A 15 -0.094 0.627 -1.416 1.00 23.23 H new ATOM 0 HA LYS A 15 1.717 -0.934 -2.792 1.00 14.34 H new ATOM 0 HB2 LYS A 15 -0.951 0.203 -3.190 1.00 65.31 H new ATOM 0 HB3 LYS A 15 -0.076 0.104 -4.705 1.00 65.31 H new ATOM 0 HG2 LYS A 15 0.330 -2.297 -4.351 1.00 72.14 H new ATOM 0 HG3 LYS A 15 -0.450 -2.221 -2.783 1.00 72.14 H new ATOM 0 HD2 LYS A 15 -2.168 -3.018 -4.161 1.00 51.13 H new ATOM 0 HD3 LYS A 15 -2.520 -1.303 -4.078 1.00 51.13 H new ATOM 0 HE2 LYS A 15 -1.890 -0.913 -6.272 1.00 34.55 H new ATOM 0 HE3 LYS A 15 -0.688 -2.189 -6.275 1.00 34.55 H new ATOM 0 HZ1 LYS A 15 -2.571 -2.757 -7.664 1.00 73.41 H new ATOM 0 HZ2 LYS A 15 -2.472 -3.833 -6.354 1.00 73.41 H new ATOM 0 HZ3 LYS A 15 -3.637 -2.597 -6.352 1.00 73.41 H new ATOM 304 N LYS A 16 1.678 2.189 -3.869 1.00 31.15 N ATOM 305 CA LYS A 16 2.429 3.171 -4.643 1.00 70.23 C ATOM 306 C LYS A 16 3.841 3.333 -4.092 1.00 23.13 C ATOM 307 O LYS A 16 4.793 3.535 -4.847 1.00 54.13 O ATOM 308 CB LYS A 16 1.707 4.520 -4.632 1.00 35.24 C ATOM 309 CG LYS A 16 0.487 4.564 -5.537 1.00 3.33 C ATOM 310 CD LYS A 16 -0.579 5.498 -4.989 1.00 21.33 C ATOM 311 CE LYS A 16 -1.425 6.092 -6.104 1.00 10.15 C ATOM 312 NZ LYS A 16 -2.883 5.947 -5.832 1.00 5.31 N ATOM 0 H LYS A 16 0.861 2.567 -3.389 1.00 31.15 H new ATOM 0 HA LYS A 16 2.498 2.812 -5.670 1.00 70.23 H new ATOM 0 HB2 LYS A 16 1.401 4.750 -3.612 1.00 35.24 H new ATOM 0 HB3 LYS A 16 2.405 5.299 -4.939 1.00 35.24 H new ATOM 0 HG2 LYS A 16 0.783 4.893 -6.533 1.00 3.33 H new ATOM 0 HG3 LYS A 16 0.074 3.561 -5.642 1.00 3.33 H new ATOM 0 HD2 LYS A 16 -1.220 4.954 -4.295 1.00 21.33 H new ATOM 0 HD3 LYS A 16 -0.105 6.300 -4.423 1.00 21.33 H new ATOM 0 HE2 LYS A 16 -1.181 7.148 -6.222 1.00 10.15 H new ATOM 0 HE3 LYS A 16 -1.181 5.601 -7.046 1.00 10.15 H new ATOM 0 HZ1 LYS A 16 -3.425 6.364 -6.615 1.00 5.31 H new ATOM 0 HZ2 LYS A 16 -3.121 4.938 -5.745 1.00 5.31 H new ATOM 0 HZ3 LYS A 16 -3.121 6.437 -4.946 1.00 5.31 H new ATOM 326 N ARG A 17 3.972 3.244 -2.773 1.00 14.24 N ATOM 327 CA ARG A 17 5.269 3.382 -2.121 1.00 73.41 C ATOM 328 C ARG A 17 6.287 2.423 -2.732 1.00 62.50 C ATOM 329 O ARG A 17 7.340 2.844 -3.215 1.00 34.44 O ATOM 330 CB ARG A 17 5.139 3.116 -0.619 1.00 44.43 C ATOM 331 CG ARG A 17 5.602 4.278 0.245 1.00 24.30 C ATOM 332 CD ARG A 17 4.478 5.273 0.490 1.00 61.42 C ATOM 333 NE ARG A 17 4.507 5.807 1.848 1.00 24.01 N ATOM 334 CZ ARG A 17 3.732 6.804 2.262 1.00 24.34 C ATOM 335 NH1 ARG A 17 2.873 7.370 1.427 1.00 34.13 N ATOM 336 NH2 ARG A 17 3.817 7.235 3.515 1.00 44.30 N ATOM 0 H ARG A 17 3.195 3.077 -2.134 1.00 14.24 H new ATOM 0 HA ARG A 17 5.619 4.403 -2.273 1.00 73.41 H new ATOM 0 HB2 ARG A 17 4.098 2.893 -0.386 1.00 44.43 H new ATOM 0 HB3 ARG A 17 5.720 2.230 -0.363 1.00 44.43 H new ATOM 0 HG2 ARG A 17 5.969 3.900 1.199 1.00 24.30 H new ATOM 0 HG3 ARG A 17 6.437 4.783 -0.240 1.00 24.30 H new ATOM 0 HD2 ARG A 17 4.558 6.093 -0.224 1.00 61.42 H new ATOM 0 HD3 ARG A 17 3.519 4.787 0.312 1.00 61.42 H new ATOM 0 HE ARG A 17 5.157 5.392 2.516 1.00 24.01 H new ATOM 0 HH11 ARG A 17 2.805 7.041 0.464 1.00 34.13 H new ATOM 0 HH12 ARG A 17 2.279 8.135 1.747 1.00 34.13 H new ATOM 0 HH21 ARG A 17 4.477 6.801 4.160 1.00 44.30 H new ATOM 0 HH22 ARG A 17 3.222 8.000 3.833 1.00 44.30 H new ATOM 350 N LEU A 18 5.969 1.133 -2.706 1.00 3.42 N ATOM 351 CA LEU A 18 6.856 0.115 -3.256 1.00 43.04 C ATOM 352 C LEU A 18 6.856 0.160 -4.781 1.00 71.23 C ATOM 353 O LEU A 18 7.817 -0.262 -5.425 1.00 73.34 O ATOM 354 CB LEU A 18 6.431 -1.273 -2.775 1.00 61.44 C ATOM 355 CG LEU A 18 6.889 -1.665 -1.369 1.00 61.25 C ATOM 356 CD1 LEU A 18 5.763 -2.355 -0.614 1.00 52.32 C ATOM 357 CD2 LEU A 18 8.116 -2.564 -1.439 1.00 14.03 C ATOM 0 H LEU A 18 5.103 0.768 -2.310 1.00 3.42 H new ATOM 0 HA LEU A 18 7.867 0.320 -2.905 1.00 43.04 H new ATOM 0 HB2 LEU A 18 5.343 -1.331 -2.810 1.00 61.44 H new ATOM 0 HB3 LEU A 18 6.813 -2.012 -3.479 1.00 61.44 H new ATOM 0 HG LEU A 18 7.158 -0.757 -0.829 1.00 61.25 H new ATOM 0 HD11 LEU A 18 6.107 -2.627 0.384 1.00 52.32 H new ATOM 0 HD12 LEU A 18 4.912 -1.679 -0.533 1.00 52.32 H new ATOM 0 HD13 LEU A 18 5.462 -3.254 -1.151 1.00 52.32 H new ATOM 0 HD21 LEU A 18 8.428 -2.833 -0.430 1.00 14.03 H new ATOM 0 HD22 LEU A 18 7.873 -3.468 -1.997 1.00 14.03 H new ATOM 0 HD23 LEU A 18 8.926 -2.035 -1.940 1.00 14.03 H new ATOM 369 N LYS A 19 5.773 0.674 -5.352 1.00 41.45 N ATOM 370 CA LYS A 19 5.648 0.777 -6.801 1.00 44.34 C ATOM 371 C LYS A 19 6.858 1.485 -7.403 1.00 0.23 C ATOM 372 O LYS A 19 7.240 1.223 -8.544 1.00 52.22 O ATOM 373 CB LYS A 19 4.368 1.530 -7.171 1.00 40.43 C ATOM 374 CG LYS A 19 4.015 1.442 -8.646 1.00 70.10 C ATOM 375 CD LYS A 19 2.530 1.191 -8.850 1.00 24.01 C ATOM 376 CE LYS A 19 2.201 0.951 -10.316 1.00 11.14 C ATOM 377 NZ LYS A 19 2.003 -0.495 -10.610 1.00 4.55 N ATOM 0 H LYS A 19 4.968 1.026 -4.833 1.00 41.45 H new ATOM 0 HA LYS A 19 5.600 -0.233 -7.209 1.00 44.34 H new ATOM 0 HB2 LYS A 19 3.540 1.133 -6.584 1.00 40.43 H new ATOM 0 HB3 LYS A 19 4.481 2.578 -6.895 1.00 40.43 H new ATOM 0 HG2 LYS A 19 4.300 2.368 -9.145 1.00 70.10 H new ATOM 0 HG3 LYS A 19 4.588 0.640 -9.111 1.00 70.10 H new ATOM 0 HD2 LYS A 19 2.222 0.327 -8.261 1.00 24.01 H new ATOM 0 HD3 LYS A 19 1.962 2.046 -8.484 1.00 24.01 H new ATOM 0 HE2 LYS A 19 1.299 1.502 -10.581 1.00 11.14 H new ATOM 0 HE3 LYS A 19 3.007 1.341 -10.938 1.00 11.14 H new ATOM 0 HZ1 LYS A 19 1.781 -0.617 -11.619 1.00 4.55 H new ATOM 0 HZ2 LYS A 19 2.872 -1.018 -10.381 1.00 4.55 H new ATOM 0 HZ3 LYS A 19 1.217 -0.862 -10.036 1.00 4.55 H new ATOM 391 N LYS A 20 7.459 2.381 -6.628 1.00 42.42 N ATOM 392 CA LYS A 20 8.628 3.125 -7.083 1.00 1.23 C ATOM 393 C LYS A 20 9.892 2.280 -6.961 1.00 54.24 C ATOM 394 O LYS A 20 10.812 2.404 -7.770 1.00 62.52 O ATOM 395 CB LYS A 20 8.785 4.414 -6.273 1.00 31.43 C ATOM 396 CG LYS A 20 8.322 5.657 -7.012 1.00 24.42 C ATOM 397 CD LYS A 20 9.350 6.114 -8.034 1.00 25.54 C ATOM 398 CE LYS A 20 9.072 7.530 -8.510 1.00 12.41 C ATOM 399 NZ LYS A 20 8.632 7.561 -9.932 1.00 42.33 N ATOM 0 H LYS A 20 7.156 2.610 -5.681 1.00 42.42 H new ATOM 0 HA LYS A 20 8.480 3.378 -8.133 1.00 1.23 H new ATOM 0 HB2 LYS A 20 8.220 4.321 -5.346 1.00 31.43 H new ATOM 0 HB3 LYS A 20 9.833 4.535 -5.997 1.00 31.43 H new ATOM 0 HG2 LYS A 20 7.376 5.452 -7.513 1.00 24.42 H new ATOM 0 HG3 LYS A 20 8.137 6.459 -6.297 1.00 24.42 H new ATOM 0 HD2 LYS A 20 10.347 6.066 -7.595 1.00 25.54 H new ATOM 0 HD3 LYS A 20 9.344 5.435 -8.886 1.00 25.54 H new ATOM 0 HE2 LYS A 20 8.303 7.980 -7.882 1.00 12.41 H new ATOM 0 HE3 LYS A 20 9.971 8.135 -8.395 1.00 12.41 H new ATOM 0 HZ1 LYS A 20 8.452 8.545 -10.218 1.00 42.33 H new ATOM 0 HZ2 LYS A 20 9.376 7.155 -10.535 1.00 42.33 H new ATOM 0 HZ3 LYS A 20 7.760 7.005 -10.038 1.00 42.33 H new ATOM 413 N ILE A 21 9.928 1.419 -5.950 1.00 30.24 N ATOM 414 CA ILE A 21 11.077 0.552 -5.726 1.00 22.42 C ATOM 415 C ILE A 21 11.121 -0.579 -6.749 1.00 34.32 C ATOM 416 O ILE A 21 12.184 -1.127 -7.040 1.00 32.14 O ATOM 417 CB ILE A 21 11.060 -0.053 -4.310 1.00 3.13 C ATOM 418 CG1 ILE A 21 11.050 1.058 -3.258 1.00 13.13 C ATOM 419 CG2 ILE A 21 12.258 -0.968 -4.109 1.00 63.21 C ATOM 420 CD1 ILE A 21 10.675 0.577 -1.873 1.00 61.44 C ATOM 0 H ILE A 21 9.174 1.303 -5.273 1.00 30.24 H new ATOM 0 HA ILE A 21 11.966 1.173 -5.836 1.00 22.42 H new ATOM 0 HB ILE A 21 10.152 -0.646 -4.196 1.00 3.13 H new ATOM 0 HG12 ILE A 21 12.037 1.519 -3.219 1.00 13.13 H new ATOM 0 HG13 ILE A 21 10.349 1.833 -3.567 1.00 13.13 H new ATOM 0 HG21 ILE A 21 12.231 -1.387 -3.103 1.00 63.21 H new ATOM 0 HG22 ILE A 21 12.225 -1.776 -4.840 1.00 63.21 H new ATOM 0 HG23 ILE A 21 13.178 -0.397 -4.240 1.00 63.21 H new ATOM 0 HD11 ILE A 21 10.689 1.418 -1.180 1.00 61.44 H new ATOM 0 HD12 ILE A 21 9.676 0.143 -1.897 1.00 61.44 H new ATOM 0 HD13 ILE A 21 11.390 -0.177 -1.543 1.00 61.44 H new ATOM 432 N PHE A 22 9.957 -0.923 -7.292 1.00 3.12 N ATOM 433 CA PHE A 22 9.861 -1.987 -8.283 1.00 23.41 C ATOM 434 C PHE A 22 9.740 -1.411 -9.690 1.00 22.10 C ATOM 435 O PHE A 22 9.176 -2.040 -10.586 1.00 73.40 O ATOM 436 CB PHE A 22 8.659 -2.887 -7.983 1.00 5.55 C ATOM 437 CG PHE A 22 8.852 -3.761 -6.777 1.00 52.42 C ATOM 438 CD1 PHE A 22 9.684 -4.867 -6.834 1.00 34.12 C ATOM 439 CD2 PHE A 22 8.199 -3.478 -5.588 1.00 10.22 C ATOM 440 CE1 PHE A 22 9.863 -5.674 -5.726 1.00 72.51 C ATOM 441 CE2 PHE A 22 8.375 -4.281 -4.477 1.00 70.11 C ATOM 442 CZ PHE A 22 9.207 -5.382 -4.547 1.00 2.11 C ATOM 0 H PHE A 22 9.068 -0.480 -7.062 1.00 3.12 H new ATOM 0 HA PHE A 22 10.773 -2.581 -8.230 1.00 23.41 H new ATOM 0 HB2 PHE A 22 7.777 -2.264 -7.833 1.00 5.55 H new ATOM 0 HB3 PHE A 22 8.461 -3.517 -8.850 1.00 5.55 H new ATOM 0 HD1 PHE A 22 10.198 -5.101 -7.754 1.00 34.12 H new ATOM 0 HD2 PHE A 22 7.545 -2.620 -5.529 1.00 10.22 H new ATOM 0 HE1 PHE A 22 10.516 -6.533 -5.783 1.00 72.51 H new ATOM 0 HE2 PHE A 22 7.863 -4.048 -3.555 1.00 70.11 H new ATOM 0 HZ PHE A 22 9.344 -6.013 -3.681 1.00 2.11 H new ATOM 452 N LYS A 23 10.274 -0.209 -9.878 1.00 44.25 N ATOM 453 CA LYS A 23 10.229 0.455 -11.177 1.00 70.51 C ATOM 454 C LYS A 23 11.488 0.158 -11.983 1.00 62.25 C ATOM 455 O LYS A 23 11.459 0.133 -13.215 1.00 21.14 O ATOM 456 CB LYS A 23 10.071 1.965 -10.995 1.00 12.24 C ATOM 457 CG LYS A 23 8.789 2.519 -11.593 1.00 20.12 C ATOM 458 CD LYS A 23 9.063 3.721 -12.482 1.00 21.35 C ATOM 459 CE LYS A 23 7.783 4.258 -13.103 1.00 72.52 C ATOM 460 NZ LYS A 23 7.529 3.668 -14.446 1.00 13.33 N ATOM 0 H LYS A 23 10.743 0.326 -9.147 1.00 44.25 H new ATOM 0 HA LYS A 23 9.369 0.070 -11.725 1.00 70.51 H new ATOM 0 HB2 LYS A 23 10.096 2.199 -9.931 1.00 12.24 H new ATOM 0 HB3 LYS A 23 10.923 2.469 -11.452 1.00 12.24 H new ATOM 0 HG2 LYS A 23 8.291 1.742 -12.173 1.00 20.12 H new ATOM 0 HG3 LYS A 23 8.107 2.805 -10.792 1.00 20.12 H new ATOM 0 HD2 LYS A 23 9.542 4.506 -11.897 1.00 21.35 H new ATOM 0 HD3 LYS A 23 9.761 3.440 -13.270 1.00 21.35 H new ATOM 0 HE2 LYS A 23 6.941 4.040 -12.446 1.00 72.52 H new ATOM 0 HE3 LYS A 23 7.848 5.343 -13.189 1.00 72.52 H new ATOM 0 HZ1 LYS A 23 6.648 4.059 -14.836 1.00 13.33 H new ATOM 0 HZ2 LYS A 23 8.320 3.897 -15.081 1.00 13.33 H new ATOM 0 HZ3 LYS A 23 7.441 2.635 -14.361 1.00 13.33 H new ATOM 474 N LYS A 24 12.595 -0.069 -11.283 1.00 3.41 N ATOM 475 CA LYS A 24 13.865 -0.365 -11.934 1.00 60.33 C ATOM 476 C LYS A 24 13.756 -1.622 -12.792 1.00 42.34 C ATOM 477 O LYS A 24 12.854 -2.442 -12.623 1.00 54.41 O ATOM 478 CB LYS A 24 14.968 -0.545 -10.888 1.00 33.02 C ATOM 479 CG LYS A 24 15.731 0.733 -10.583 1.00 32.13 C ATOM 480 CD LYS A 24 17.196 0.452 -10.295 1.00 4.12 C ATOM 481 CE LYS A 24 17.367 -0.381 -9.033 1.00 13.40 C ATOM 482 NZ LYS A 24 18.799 -0.679 -8.755 1.00 11.23 N ATOM 0 H LYS A 24 12.638 -0.053 -10.264 1.00 3.41 H new ATOM 0 HA LYS A 24 14.118 0.476 -12.580 1.00 60.33 H new ATOM 0 HB2 LYS A 24 14.525 -0.923 -9.966 1.00 33.02 H new ATOM 0 HB3 LYS A 24 15.669 -1.302 -11.238 1.00 33.02 H new ATOM 0 HG2 LYS A 24 15.650 1.417 -11.428 1.00 32.13 H new ATOM 0 HG3 LYS A 24 15.280 1.231 -9.725 1.00 32.13 H new ATOM 0 HD2 LYS A 24 17.640 -0.072 -11.141 1.00 4.12 H new ATOM 0 HD3 LYS A 24 17.734 1.394 -10.186 1.00 4.12 H new ATOM 0 HE2 LYS A 24 16.936 0.151 -8.185 1.00 13.40 H new ATOM 0 HE3 LYS A 24 16.815 -1.315 -9.137 1.00 13.40 H new ATOM 0 HZ1 LYS A 24 18.873 -1.248 -7.888 1.00 11.23 H new ATOM 0 HZ2 LYS A 24 19.204 -1.209 -9.553 1.00 11.23 H new ATOM 0 HZ3 LYS A 24 19.321 0.212 -8.630 1.00 11.23 H new ATOM 496 N PRO A 25 14.696 -1.779 -13.737 1.00 2.35 N ATOM 497 CA PRO A 25 14.727 -2.933 -14.639 1.00 34.41 C ATOM 498 C PRO A 25 15.099 -4.223 -13.917 1.00 31.11 C ATOM 499 O PRO A 25 16.260 -4.628 -13.909 1.00 62.40 O ATOM 500 CB PRO A 25 15.808 -2.559 -15.656 1.00 53.24 C ATOM 501 CG PRO A 25 16.694 -1.604 -14.934 1.00 1.13 C ATOM 502 CD PRO A 25 15.801 -0.840 -13.996 1.00 14.01 C ATOM 0 HA PRO A 25 13.752 -3.128 -15.085 1.00 34.41 H new ATOM 0 HB2 PRO A 25 16.361 -3.438 -15.988 1.00 53.24 H new ATOM 0 HB3 PRO A 25 15.374 -2.101 -16.545 1.00 53.24 H new ATOM 0 HG2 PRO A 25 17.474 -2.133 -14.386 1.00 1.13 H new ATOM 0 HG3 PRO A 25 17.194 -0.932 -15.631 1.00 1.13 H new ATOM 0 HD2 PRO A 25 16.321 -0.568 -13.078 1.00 14.01 H new ATOM 0 HD3 PRO A 25 15.444 0.086 -14.446 1.00 14.01 H new ATOM 510 N MET A 26 14.104 -4.864 -13.311 1.00 4.01 N ATOM 511 CA MET A 26 14.328 -6.110 -12.587 1.00 32.04 C ATOM 512 C MET A 26 14.764 -7.221 -13.537 1.00 51.04 C ATOM 513 O MET A 26 15.922 -7.639 -13.529 1.00 74.52 O ATOM 514 CB MET A 26 13.058 -6.528 -11.844 1.00 73.45 C ATOM 515 CG MET A 26 13.133 -6.311 -10.342 1.00 35.54 C ATOM 516 SD MET A 26 12.315 -4.793 -9.816 1.00 54.33 S ATOM 517 CE MET A 26 13.722 -3.803 -9.322 1.00 32.41 C ATOM 0 H MET A 26 13.136 -4.541 -13.307 1.00 4.01 H new ATOM 0 HA MET A 26 15.126 -5.942 -11.863 1.00 32.04 H new ATOM 0 HB2 MET A 26 12.213 -5.967 -12.242 1.00 73.45 H new ATOM 0 HB3 MET A 26 12.862 -7.582 -12.041 1.00 73.45 H new ATOM 0 HG2 MET A 26 12.676 -7.160 -9.833 1.00 35.54 H new ATOM 0 HG3 MET A 26 14.179 -6.280 -10.035 1.00 35.54 H new ATOM 0 HE1 MET A 26 13.377 -2.830 -8.971 1.00 32.41 H new ATOM 0 HE2 MET A 26 14.259 -4.309 -8.520 1.00 32.41 H new ATOM 0 HE3 MET A 26 14.388 -3.666 -10.174 1.00 32.41 H new ATOM 527 N VAL A 27 13.829 -7.694 -14.355 1.00 64.23 N ATOM 528 CA VAL A 27 14.118 -8.755 -15.313 1.00 61.10 C ATOM 529 C VAL A 27 15.083 -8.276 -16.391 1.00 41.45 C ATOM 530 O VAL A 27 15.047 -7.114 -16.797 1.00 5.01 O ATOM 531 CB VAL A 27 12.831 -9.271 -15.984 1.00 30.12 C ATOM 532 CG1 VAL A 27 13.124 -10.502 -16.828 1.00 5.21 C ATOM 533 CG2 VAL A 27 11.769 -9.574 -14.936 1.00 40.51 C ATOM 0 H VAL A 27 12.866 -7.360 -14.374 1.00 64.23 H new ATOM 0 HA VAL A 27 14.579 -9.569 -14.753 1.00 61.10 H new ATOM 0 HB VAL A 27 12.448 -8.491 -16.643 1.00 30.12 H new ATOM 0 HG11 VAL A 27 12.203 -10.852 -17.294 1.00 5.21 H new ATOM 0 HG12 VAL A 27 13.848 -10.248 -17.602 1.00 5.21 H new ATOM 0 HG13 VAL A 27 13.531 -11.289 -16.194 1.00 5.21 H new ATOM 0 HG21 VAL A 27 10.866 -9.937 -15.427 1.00 40.51 H new ATOM 0 HG22 VAL A 27 12.141 -10.336 -14.251 1.00 40.51 H new ATOM 0 HG23 VAL A 27 11.538 -8.666 -14.379 1.00 40.51 H new ATOM 543 N ILE A 28 15.943 -9.178 -16.852 1.00 1.44 N ATOM 544 CA ILE A 28 16.917 -8.847 -17.885 1.00 33.34 C ATOM 545 C ILE A 28 16.362 -9.134 -19.276 1.00 35.33 C ATOM 546 O ILE A 28 15.949 -10.254 -19.572 1.00 11.20 O ATOM 547 CB ILE A 28 18.227 -9.633 -17.695 1.00 1.31 C ATOM 548 CG1 ILE A 28 18.771 -9.427 -16.279 1.00 50.54 C ATOM 549 CG2 ILE A 28 19.256 -9.204 -18.730 1.00 40.12 C ATOM 550 CD1 ILE A 28 18.869 -10.706 -15.478 1.00 72.32 C ATOM 0 H ILE A 28 15.985 -10.144 -16.526 1.00 1.44 H new ATOM 0 HA ILE A 28 17.126 -7.781 -17.793 1.00 33.34 H new ATOM 0 HB ILE A 28 18.020 -10.694 -17.834 1.00 1.31 H new ATOM 0 HG12 ILE A 28 19.759 -8.970 -16.341 1.00 50.54 H new ATOM 0 HG13 ILE A 28 18.127 -8.725 -15.750 1.00 50.54 H new ATOM 0 HG21 ILE A 28 20.177 -9.768 -18.583 1.00 40.12 H new ATOM 0 HG22 ILE A 28 18.868 -9.397 -19.730 1.00 40.12 H new ATOM 0 HG23 ILE A 28 19.461 -8.139 -18.619 1.00 40.12 H new ATOM 0 HD11 ILE A 28 19.262 -10.485 -14.486 1.00 72.32 H new ATOM 0 HD12 ILE A 28 17.880 -11.154 -15.385 1.00 72.32 H new ATOM 0 HD13 ILE A 28 19.536 -11.403 -15.985 1.00 72.32 H new ATOM 562 N GLY A 29 16.356 -8.113 -20.127 1.00 30.23 N ATOM 563 CA GLY A 29 15.851 -8.276 -21.478 1.00 0.21 C ATOM 564 C GLY A 29 14.511 -7.597 -21.682 1.00 21.54 C ATOM 565 O GLY A 29 13.574 -8.202 -22.205 1.00 41.11 O ATOM 0 H GLY A 29 16.692 -7.176 -19.905 1.00 30.23 H new ATOM 0 HA2 GLY A 29 16.573 -7.867 -22.184 1.00 0.21 H new ATOM 0 HA3 GLY A 29 15.754 -9.339 -21.701 1.00 0.21 H new ATOM 569 N VAL A 30 14.417 -6.338 -21.266 1.00 54.14 N ATOM 570 CA VAL A 30 13.181 -5.577 -21.405 1.00 62.11 C ATOM 571 C VAL A 30 13.469 -4.095 -21.615 1.00 20.32 C ATOM 572 O VAL A 30 14.119 -3.454 -20.787 1.00 42.35 O ATOM 573 CB VAL A 30 12.277 -5.743 -20.169 1.00 73.45 C ATOM 574 CG1 VAL A 30 11.653 -7.131 -20.147 1.00 61.21 C ATOM 575 CG2 VAL A 30 13.066 -5.484 -18.894 1.00 72.40 C ATOM 0 H VAL A 30 15.182 -5.823 -20.830 1.00 54.14 H new ATOM 0 HA VAL A 30 12.664 -5.971 -22.280 1.00 62.11 H new ATOM 0 HB VAL A 30 11.473 -5.010 -20.227 1.00 73.45 H new ATOM 0 HG11 VAL A 30 11.018 -7.230 -19.267 1.00 61.21 H new ATOM 0 HG12 VAL A 30 11.053 -7.275 -21.046 1.00 61.21 H new ATOM 0 HG13 VAL A 30 12.441 -7.884 -20.113 1.00 61.21 H new ATOM 0 HG21 VAL A 30 12.412 -5.606 -18.030 1.00 72.40 H new ATOM 0 HG22 VAL A 30 13.891 -6.193 -18.827 1.00 72.40 H new ATOM 0 HG23 VAL A 30 13.460 -4.468 -18.910 1.00 72.40 H new ATOM 585 N THR A 31 12.981 -3.554 -22.727 1.00 64.44 N ATOM 586 CA THR A 31 13.187 -2.147 -23.047 1.00 30.24 C ATOM 587 C THR A 31 11.863 -1.452 -23.342 1.00 15.13 C ATOM 588 O THR A 31 10.959 -2.042 -23.934 1.00 32.30 O ATOM 589 CB THR A 31 14.124 -1.977 -24.256 1.00 10.12 C ATOM 590 OG1 THR A 31 13.480 -2.446 -25.446 1.00 13.44 O ATOM 591 CG2 THR A 31 15.425 -2.737 -24.044 1.00 61.22 C ATOM 0 H THR A 31 12.440 -4.069 -23.421 1.00 64.44 H new ATOM 0 HA THR A 31 13.649 -1.688 -22.173 1.00 30.24 H new ATOM 0 HB THR A 31 14.354 -0.917 -24.362 1.00 10.12 H new ATOM 0 HG1 THR A 31 14.083 -2.333 -26.210 1.00 13.44 H new ATOM 0 HG21 THR A 31 16.071 -2.602 -24.912 1.00 61.22 H new ATOM 0 HG22 THR A 31 15.928 -2.357 -23.155 1.00 61.22 H new ATOM 0 HG23 THR A 31 15.210 -3.798 -23.914 1.00 61.22 H new ATOM 599 N ILE A 32 11.755 -0.194 -22.926 1.00 41.12 N ATOM 600 CA ILE A 32 10.541 0.582 -23.148 1.00 43.34 C ATOM 601 C ILE A 32 10.222 0.691 -24.636 1.00 61.50 C ATOM 602 O ILE A 32 11.080 1.017 -25.457 1.00 13.32 O ATOM 603 CB ILE A 32 10.662 1.998 -22.556 1.00 51.31 C ATOM 604 CG1 ILE A 32 9.322 2.731 -22.653 1.00 61.51 C ATOM 605 CG2 ILE A 32 11.753 2.780 -23.273 1.00 14.54 C ATOM 606 CD1 ILE A 32 8.416 2.493 -21.465 1.00 51.01 C ATOM 0 H ILE A 32 12.493 0.309 -22.434 1.00 41.12 H new ATOM 0 HA ILE A 32 9.732 0.054 -22.643 1.00 43.34 H new ATOM 0 HB ILE A 32 10.934 1.914 -21.504 1.00 51.31 H new ATOM 0 HG12 ILE A 32 9.508 3.801 -22.749 1.00 61.51 H new ATOM 0 HG13 ILE A 32 8.808 2.414 -23.561 1.00 61.51 H new ATOM 0 HG21 ILE A 32 11.827 3.779 -22.843 1.00 14.54 H new ATOM 0 HG22 ILE A 32 12.706 2.264 -23.157 1.00 14.54 H new ATOM 0 HG23 ILE A 32 11.509 2.858 -24.332 1.00 14.54 H new ATOM 0 HD11 ILE A 32 7.485 3.043 -21.602 1.00 51.01 H new ATOM 0 HD12 ILE A 32 8.199 1.428 -21.380 1.00 51.01 H new ATOM 0 HD13 ILE A 32 8.910 2.836 -20.556 1.00 51.01 H new ATOM 618 N PRO A 33 8.960 0.411 -24.993 1.00 60.30 N ATOM 619 CA PRO A 33 8.499 0.473 -26.383 1.00 14.05 C ATOM 620 C PRO A 33 8.435 1.903 -26.909 1.00 71.45 C ATOM 621 O PRO A 33 7.504 2.648 -26.601 1.00 21.21 O ATOM 622 CB PRO A 33 7.096 -0.136 -26.317 1.00 53.51 C ATOM 623 CG PRO A 33 6.647 0.094 -24.915 1.00 21.11 C ATOM 624 CD PRO A 33 7.886 0.014 -24.066 1.00 10.31 C ATOM 0 HA PRO A 33 9.174 -0.049 -27.061 1.00 14.05 H new ATOM 0 HB2 PRO A 33 6.424 0.340 -27.031 1.00 53.51 H new ATOM 0 HB3 PRO A 33 7.114 -1.199 -26.557 1.00 53.51 H new ATOM 0 HG2 PRO A 33 6.166 1.067 -24.814 1.00 21.11 H new ATOM 0 HG3 PRO A 33 5.916 -0.656 -24.611 1.00 21.11 H new ATOM 0 HD2 PRO A 33 7.829 0.683 -23.207 1.00 10.31 H new ATOM 0 HD3 PRO A 33 8.042 -0.992 -23.677 1.00 10.31 H new ATOM 632 N PHE A 34 9.429 2.279 -27.706 1.00 5.32 N ATOM 633 CA PHE A 34 9.487 3.620 -28.275 1.00 41.50 C ATOM 634 C PHE A 34 10.387 3.650 -29.507 1.00 21.21 C ATOM 635 O PHE A 34 11.604 3.797 -29.396 1.00 34.43 O ATOM 636 CB PHE A 34 9.996 4.619 -27.234 1.00 35.12 C ATOM 637 CG PHE A 34 8.901 5.411 -26.578 1.00 72.22 C ATOM 638 CD1 PHE A 34 8.205 6.375 -27.288 1.00 13.41 C ATOM 639 CD2 PHE A 34 8.568 5.191 -25.252 1.00 23.45 C ATOM 640 CE1 PHE A 34 7.197 7.107 -26.687 1.00 62.53 C ATOM 641 CE2 PHE A 34 7.562 5.918 -24.644 1.00 11.44 C ATOM 642 CZ PHE A 34 6.875 6.877 -25.364 1.00 22.51 C ATOM 0 H PHE A 34 10.206 1.674 -27.973 1.00 5.32 H new ATOM 0 HA PHE A 34 8.478 3.903 -28.576 1.00 41.50 H new ATOM 0 HB2 PHE A 34 10.553 4.081 -26.467 1.00 35.12 H new ATOM 0 HB3 PHE A 34 10.694 5.306 -27.712 1.00 35.12 H new ATOM 0 HD1 PHE A 34 8.452 6.557 -28.323 1.00 13.41 H new ATOM 0 HD2 PHE A 34 9.101 4.442 -24.686 1.00 23.45 H new ATOM 0 HE1 PHE A 34 6.663 7.857 -27.251 1.00 62.53 H new ATOM 0 HE2 PHE A 34 7.313 5.737 -23.609 1.00 11.44 H new ATOM 0 HZ PHE A 34 6.087 7.446 -24.893 1.00 22.51 H new TER 652 PHE A 34