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+ 168:sc=-0.00822 (180deg=-0.175) 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+ 180:sc= 0 (180deg=0) 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+ -151:sc= 0 (180deg=-0.527) 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 -10.840 -2.895 17.607 1.00 14.42 N ATOM 2 CA LYS A 1 -10.178 -3.838 16.713 1.00 71.11 C ATOM 3 C LYS A 1 -10.683 -3.678 15.283 1.00 62.24 C ATOM 4 O LYS A 1 -10.808 -4.657 14.547 1.00 51.15 O ATOM 5 CB LYS A 1 -10.409 -5.273 17.190 1.00 14.14 C ATOM 6 CG LYS A 1 -9.505 -5.686 18.338 1.00 42.12 C ATOM 7 CD LYS A 1 -10.304 -6.227 19.511 1.00 72.21 C ATOM 8 CE LYS A 1 -9.395 -6.669 20.649 1.00 50.34 C ATOM 9 NZ LYS A 1 -9.000 -8.099 20.520 1.00 31.20 N ATOM 0 H1 LYS A 1 -10.638 -3.152 18.594 1.00 14.42 H new ATOM 0 H2 LYS A 1 -10.488 -1.934 17.420 1.00 14.42 H new ATOM 0 H3 LYS A 1 -11.867 -2.925 17.445 1.00 14.42 H new ATOM 0 HA LYS A 1 -9.109 -3.625 16.728 1.00 71.11 H new ATOM 0 HB2 LYS A 1 -11.448 -5.381 17.500 1.00 14.14 H new ATOM 0 HB3 LYS A 1 -10.254 -5.954 16.353 1.00 14.14 H new ATOM 0 HG2 LYS A 1 -8.803 -6.445 17.994 1.00 42.12 H new ATOM 0 HG3 LYS A 1 -8.914 -4.830 18.663 1.00 42.12 H new ATOM 0 HD2 LYS A 1 -10.991 -5.460 19.869 1.00 72.21 H new ATOM 0 HD3 LYS A 1 -10.911 -7.070 19.181 1.00 72.21 H new ATOM 0 HE2 LYS A 1 -8.501 -6.045 20.663 1.00 50.34 H new ATOM 0 HE3 LYS A 1 -9.905 -6.517 21.601 1.00 50.34 H new ATOM 0 HZ1 LYS A 1 -8.381 -8.361 21.314 1.00 31.20 H new ATOM 0 HZ2 LYS A 1 -9.851 -8.697 20.532 1.00 31.20 H new ATOM 0 HZ3 LYS A 1 -8.491 -8.239 19.624 1.00 31.20 H new ATOM 23 N ARG A 2 -10.969 -2.440 14.896 1.00 72.10 N ATOM 24 CA ARG A 2 -11.460 -2.154 13.553 1.00 3.52 C ATOM 25 C ARG A 2 -10.307 -1.800 12.617 1.00 32.23 C ATOM 26 O ARG A 2 -10.518 -1.246 11.538 1.00 24.11 O ATOM 27 CB ARG A 2 -12.470 -1.005 13.591 1.00 74.21 C ATOM 28 CG ARG A 2 -13.825 -1.367 13.003 1.00 14.15 C ATOM 29 CD ARG A 2 -14.726 -0.148 12.889 1.00 71.20 C ATOM 30 NE ARG A 2 -15.766 -0.136 13.916 1.00 64.44 N ATOM 31 CZ ARG A 2 -16.860 -0.887 13.861 1.00 35.01 C ATOM 32 NH1 ARG A 2 -17.058 -1.703 12.835 1.00 34.01 N ATOM 33 NH2 ARG A 2 -17.761 -0.821 14.834 1.00 63.04 N ATOM 0 H ARG A 2 -10.869 -1.619 15.493 1.00 72.10 H new ATOM 0 HA ARG A 2 -11.952 -3.050 13.174 1.00 3.52 H new ATOM 0 HB2 ARG A 2 -12.605 -0.685 14.624 1.00 74.21 H new ATOM 0 HB3 ARG A 2 -12.061 -0.155 13.045 1.00 74.21 H new ATOM 0 HG2 ARG A 2 -13.688 -1.813 12.018 1.00 14.15 H new ATOM 0 HG3 ARG A 2 -14.306 -2.119 13.629 1.00 14.15 H new ATOM 0 HD2 ARG A 2 -14.124 0.757 12.973 1.00 71.20 H new ATOM 0 HD3 ARG A 2 -15.190 -0.132 11.903 1.00 71.20 H new ATOM 0 HE ARG A 2 -15.645 0.482 14.718 1.00 64.44 H new ATOM 0 HH11 ARG A 2 -16.369 -1.755 12.085 1.00 34.01 H new ATOM 0 HH12 ARG A 2 -17.899 -2.278 12.796 1.00 34.01 H new ATOM 0 HH21 ARG A 2 -17.613 -0.193 15.624 1.00 63.04 H new ATOM 0 HH22 ARG A 2 -18.601 -1.398 14.791 1.00 63.04 H new ATOM 47 N PHE A 3 -9.090 -2.125 13.037 1.00 5.23 N ATOM 48 CA PHE A 3 -7.903 -1.840 12.238 1.00 34.41 C ATOM 49 C PHE A 3 -7.884 -2.693 10.973 1.00 63.00 C ATOM 50 O PHE A 3 -7.269 -2.326 9.971 1.00 2.34 O ATOM 51 CB PHE A 3 -6.637 -2.094 13.058 1.00 73.21 C ATOM 52 CG PHE A 3 -6.344 -3.551 13.273 1.00 23.43 C ATOM 53 CD1 PHE A 3 -5.595 -4.265 12.352 1.00 52.31 C ATOM 54 CD2 PHE A 3 -6.818 -4.208 14.399 1.00 53.35 C ATOM 55 CE1 PHE A 3 -5.324 -5.606 12.547 1.00 13.33 C ATOM 56 CE2 PHE A 3 -6.550 -5.548 14.599 1.00 65.53 C ATOM 57 CZ PHE A 3 -5.802 -6.249 13.672 1.00 14.23 C ATOM 0 H PHE A 3 -8.899 -2.586 13.926 1.00 5.23 H new ATOM 0 HA PHE A 3 -7.933 -0.790 11.947 1.00 34.41 H new ATOM 0 HB2 PHE A 3 -5.788 -1.632 12.554 1.00 73.21 H new ATOM 0 HB3 PHE A 3 -6.737 -1.605 14.027 1.00 73.21 H new ATOM 0 HD1 PHE A 3 -5.218 -3.767 11.471 1.00 52.31 H new ATOM 0 HD2 PHE A 3 -7.403 -3.666 15.127 1.00 53.35 H new ATOM 0 HE1 PHE A 3 -4.739 -6.151 11.821 1.00 13.33 H new ATOM 0 HE2 PHE A 3 -6.925 -6.048 15.480 1.00 65.53 H new ATOM 0 HZ PHE A 3 -5.592 -7.297 13.827 1.00 14.23 H new ATOM 67 N LYS A 4 -8.560 -3.836 11.027 1.00 71.04 N ATOM 68 CA LYS A 4 -8.621 -4.742 9.886 1.00 31.54 C ATOM 69 C LYS A 4 -9.060 -4.003 8.627 1.00 40.24 C ATOM 70 O LYS A 4 -8.556 -4.265 7.534 1.00 43.13 O ATOM 71 CB LYS A 4 -9.587 -5.894 10.177 1.00 51.03 C ATOM 72 CG LYS A 4 -8.915 -7.257 10.211 1.00 54.43 C ATOM 73 CD LYS A 4 -9.915 -8.363 10.499 1.00 21.44 C ATOM 74 CE LYS A 4 -9.418 -9.710 9.997 1.00 5.20 C ATOM 75 NZ LYS A 4 -9.751 -10.812 10.941 1.00 60.35 N ATOM 0 H LYS A 4 -9.073 -4.157 11.848 1.00 71.04 H new ATOM 0 HA LYS A 4 -7.622 -5.145 9.719 1.00 31.54 H new ATOM 0 HB2 LYS A 4 -10.075 -5.715 11.135 1.00 51.03 H new ATOM 0 HB3 LYS A 4 -10.369 -5.902 9.418 1.00 51.03 H new ATOM 0 HG2 LYS A 4 -8.426 -7.447 9.255 1.00 54.43 H new ATOM 0 HG3 LYS A 4 -8.136 -7.261 10.974 1.00 54.43 H new ATOM 0 HD2 LYS A 4 -10.098 -8.419 11.572 1.00 21.44 H new ATOM 0 HD3 LYS A 4 -10.867 -8.126 10.025 1.00 21.44 H new ATOM 0 HE2 LYS A 4 -9.860 -9.920 9.023 1.00 5.20 H new ATOM 0 HE3 LYS A 4 -8.338 -9.668 9.854 1.00 5.20 H new ATOM 0 HZ1 LYS A 4 -9.395 -11.713 10.562 1.00 60.35 H new ATOM 0 HZ2 LYS A 4 -9.308 -10.625 11.863 1.00 60.35 H new ATOM 0 HZ3 LYS A 4 -10.783 -10.869 11.058 1.00 60.35 H new ATOM 89 N LYS A 5 -10.000 -3.079 8.785 1.00 3.55 N ATOM 90 CA LYS A 5 -10.504 -2.298 7.661 1.00 70.13 C ATOM 91 C LYS A 5 -9.429 -1.357 7.127 1.00 52.15 C ATOM 92 O LYS A 5 -9.386 -1.063 5.932 1.00 73.15 O ATOM 93 CB LYS A 5 -11.737 -1.495 8.084 1.00 61.10 C ATOM 94 CG LYS A 5 -13.050 -2.200 7.794 1.00 51.50 C ATOM 95 CD LYS A 5 -13.505 -3.040 8.976 1.00 44.34 C ATOM 96 CE LYS A 5 -15.005 -3.289 8.938 1.00 1.13 C ATOM 97 NZ LYS A 5 -15.376 -4.545 9.645 1.00 63.50 N ATOM 0 H LYS A 5 -10.429 -2.852 9.682 1.00 3.55 H new ATOM 0 HA LYS A 5 -10.784 -2.989 6.866 1.00 70.13 H new ATOM 0 HB2 LYS A 5 -11.675 -1.285 9.152 1.00 61.10 H new ATOM 0 HB3 LYS A 5 -11.729 -0.534 7.569 1.00 61.10 H new ATOM 0 HG2 LYS A 5 -13.815 -1.462 7.555 1.00 51.50 H new ATOM 0 HG3 LYS A 5 -12.936 -2.836 6.916 1.00 51.50 H new ATOM 0 HD2 LYS A 5 -12.977 -3.993 8.971 1.00 44.34 H new ATOM 0 HD3 LYS A 5 -13.242 -2.535 9.905 1.00 44.34 H new ATOM 0 HE2 LYS A 5 -15.525 -2.447 9.396 1.00 1.13 H new ATOM 0 HE3 LYS A 5 -15.338 -3.344 7.902 1.00 1.13 H new ATOM 0 HZ1 LYS A 5 -16.406 -4.679 9.597 1.00 63.50 H new ATOM 0 HZ2 LYS A 5 -14.900 -5.352 9.193 1.00 63.50 H new ATOM 0 HZ3 LYS A 5 -15.081 -4.483 10.640 1.00 63.50 H new ATOM 111 N PHE A 6 -8.562 -0.889 8.018 1.00 53.53 N ATOM 112 CA PHE A 6 -7.487 0.019 7.634 1.00 12.42 C ATOM 113 C PHE A 6 -6.439 -0.704 6.793 1.00 31.11 C ATOM 114 O PHE A 6 -5.893 -0.141 5.844 1.00 23.21 O ATOM 115 CB PHE A 6 -6.832 0.622 8.879 1.00 41.12 C ATOM 116 CG PHE A 6 -5.592 1.414 8.579 1.00 13.50 C ATOM 117 CD1 PHE A 6 -5.624 2.458 7.669 1.00 64.24 C ATOM 118 CD2 PHE A 6 -4.394 1.115 9.208 1.00 71.03 C ATOM 119 CE1 PHE A 6 -4.485 3.190 7.390 1.00 24.50 C ATOM 120 CE2 PHE A 6 -3.252 1.843 8.934 1.00 22.53 C ATOM 121 CZ PHE A 6 -3.297 2.881 8.024 1.00 21.41 C ATOM 0 H PHE A 6 -8.582 -1.123 9.011 1.00 53.53 H new ATOM 0 HA PHE A 6 -7.918 0.821 7.034 1.00 12.42 H new ATOM 0 HB2 PHE A 6 -7.552 1.267 9.383 1.00 41.12 H new ATOM 0 HB3 PHE A 6 -6.582 -0.180 9.573 1.00 41.12 H new ATOM 0 HD1 PHE A 6 -6.551 2.703 7.171 1.00 64.24 H new ATOM 0 HD2 PHE A 6 -4.352 0.304 9.920 1.00 71.03 H new ATOM 0 HE1 PHE A 6 -4.524 4.001 6.678 1.00 24.50 H new ATOM 0 HE2 PHE A 6 -2.324 1.600 9.431 1.00 22.53 H new ATOM 0 HZ PHE A 6 -2.405 3.450 7.808 1.00 21.41 H new ATOM 131 N PHE A 7 -6.164 -1.954 7.149 1.00 21.30 N ATOM 132 CA PHE A 7 -5.181 -2.754 6.429 1.00 24.52 C ATOM 133 C PHE A 7 -5.467 -2.750 4.930 1.00 13.33 C ATOM 134 O PHE A 7 -4.575 -2.510 4.117 1.00 62.10 O ATOM 135 CB PHE A 7 -5.178 -4.192 6.955 1.00 41.40 C ATOM 136 CG PHE A 7 -4.213 -5.091 6.236 1.00 62.12 C ATOM 137 CD1 PHE A 7 -2.888 -4.719 6.074 1.00 62.12 C ATOM 138 CD2 PHE A 7 -4.630 -6.309 5.723 1.00 14.34 C ATOM 139 CE1 PHE A 7 -1.999 -5.545 5.412 1.00 25.15 C ATOM 140 CE2 PHE A 7 -3.745 -7.139 5.062 1.00 35.01 C ATOM 141 CZ PHE A 7 -2.427 -6.757 4.907 1.00 15.42 C ATOM 0 H PHE A 7 -6.608 -2.435 7.931 1.00 21.30 H new ATOM 0 HA PHE A 7 -4.199 -2.311 6.594 1.00 24.52 H new ATOM 0 HB2 PHE A 7 -4.931 -4.182 8.017 1.00 41.40 H new ATOM 0 HB3 PHE A 7 -6.183 -4.605 6.866 1.00 41.40 H new ATOM 0 HD1 PHE A 7 -2.546 -3.774 6.469 1.00 62.12 H new ATOM 0 HD2 PHE A 7 -5.659 -6.613 5.841 1.00 14.34 H new ATOM 0 HE1 PHE A 7 -0.969 -5.242 5.290 1.00 25.15 H new ATOM 0 HE2 PHE A 7 -4.084 -8.085 4.667 1.00 35.01 H new ATOM 0 HZ PHE A 7 -1.733 -7.404 4.392 1.00 15.42 H new ATOM 151 N LYS A 8 -6.718 -3.017 4.573 1.00 52.03 N ATOM 152 CA LYS A 8 -7.126 -3.043 3.173 1.00 22.51 C ATOM 153 C LYS A 8 -6.923 -1.680 2.522 1.00 23.11 C ATOM 154 O LYS A 8 -6.724 -1.581 1.310 1.00 35.20 O ATOM 155 CB LYS A 8 -8.592 -3.464 3.055 1.00 32.33 C ATOM 156 CG LYS A 8 -8.778 -4.909 2.625 1.00 42.12 C ATOM 157 CD LYS A 8 -8.259 -5.875 3.675 1.00 22.23 C ATOM 158 CE LYS A 8 -9.315 -6.899 4.062 1.00 31.32 C ATOM 159 NZ LYS A 8 -8.715 -8.094 4.717 1.00 75.35 N ATOM 0 H LYS A 8 -7.468 -3.219 5.234 1.00 52.03 H new ATOM 0 HA LYS A 8 -6.503 -3.771 2.653 1.00 22.51 H new ATOM 0 HB2 LYS A 8 -9.083 -3.314 4.017 1.00 32.33 H new ATOM 0 HB3 LYS A 8 -9.091 -2.813 2.337 1.00 32.33 H new ATOM 0 HG2 LYS A 8 -9.835 -5.102 2.443 1.00 42.12 H new ATOM 0 HG3 LYS A 8 -8.256 -5.079 1.683 1.00 42.12 H new ATOM 0 HD2 LYS A 8 -7.376 -6.388 3.294 1.00 22.23 H new ATOM 0 HD3 LYS A 8 -7.948 -5.319 4.560 1.00 22.23 H new ATOM 0 HE2 LYS A 8 -10.037 -6.439 4.737 1.00 31.32 H new ATOM 0 HE3 LYS A 8 -9.863 -7.209 3.172 1.00 31.32 H new ATOM 0 HZ1 LYS A 8 -9.467 -8.768 4.965 1.00 75.35 H new ATOM 0 HZ2 LYS A 8 -8.045 -8.548 4.064 1.00 75.35 H new ATOM 0 HZ3 LYS A 8 -8.213 -7.802 5.580 1.00 75.35 H new ATOM 173 N LYS A 9 -6.971 -0.628 3.332 1.00 34.44 N ATOM 174 CA LYS A 9 -6.791 0.730 2.837 1.00 51.23 C ATOM 175 C LYS A 9 -5.312 1.040 2.626 1.00 13.41 C ATOM 176 O LYS A 9 -4.945 1.758 1.696 1.00 5.35 O ATOM 177 CB LYS A 9 -7.399 1.738 3.816 1.00 60.25 C ATOM 178 CG LYS A 9 -7.956 2.980 3.142 1.00 53.54 C ATOM 179 CD LYS A 9 -7.272 4.240 3.643 1.00 13.43 C ATOM 180 CE LYS A 9 -8.000 4.832 4.841 1.00 74.32 C ATOM 181 NZ LYS A 9 -8.462 6.223 4.579 1.00 63.41 N ATOM 0 H LYS A 9 -7.134 -0.691 4.337 1.00 34.44 H new ATOM 0 HA LYS A 9 -7.303 0.811 1.878 1.00 51.23 H new ATOM 0 HB2 LYS A 9 -8.196 1.251 4.378 1.00 60.25 H new ATOM 0 HB3 LYS A 9 -6.638 2.036 4.537 1.00 60.25 H new ATOM 0 HG2 LYS A 9 -7.826 2.899 2.063 1.00 53.54 H new ATOM 0 HG3 LYS A 9 -9.028 3.047 3.330 1.00 53.54 H new ATOM 0 HD2 LYS A 9 -6.242 4.011 3.918 1.00 13.43 H new ATOM 0 HD3 LYS A 9 -7.231 4.977 2.841 1.00 13.43 H new ATOM 0 HE2 LYS A 9 -8.857 4.206 5.091 1.00 74.32 H new ATOM 0 HE3 LYS A 9 -7.338 4.826 5.707 1.00 74.32 H new ATOM 0 HZ1 LYS A 9 -8.953 6.590 5.419 1.00 63.41 H new ATOM 0 HZ2 LYS A 9 -7.642 6.827 4.366 1.00 63.41 H new ATOM 0 HZ3 LYS A 9 -9.114 6.225 3.769 1.00 63.41 H new ATOM 195 N VAL A 10 -4.467 0.492 3.493 1.00 34.34 N ATOM 196 CA VAL A 10 -3.029 0.707 3.400 1.00 41.51 C ATOM 197 C VAL A 10 -2.462 0.092 2.125 1.00 11.54 C ATOM 198 O VAL A 10 -1.456 0.560 1.591 1.00 73.32 O ATOM 199 CB VAL A 10 -2.292 0.114 4.616 1.00 64.24 C ATOM 200 CG1 VAL A 10 -0.841 0.570 4.636 1.00 22.22 C ATOM 201 CG2 VAL A 10 -2.999 0.497 5.907 1.00 44.54 C ATOM 0 H VAL A 10 -4.754 -0.105 4.269 1.00 34.34 H new ATOM 0 HA VAL A 10 -2.871 1.785 3.380 1.00 41.51 H new ATOM 0 HB VAL A 10 -2.304 -0.973 4.532 1.00 64.24 H new ATOM 0 HG11 VAL A 10 -0.337 0.141 5.502 1.00 22.22 H new ATOM 0 HG12 VAL A 10 -0.343 0.239 3.725 1.00 22.22 H new ATOM 0 HG13 VAL A 10 -0.802 1.658 4.695 1.00 22.22 H new ATOM 0 HG21 VAL A 10 -2.464 0.069 6.755 1.00 44.54 H new ATOM 0 HG22 VAL A 10 -3.021 1.583 6.002 1.00 44.54 H new ATOM 0 HG23 VAL A 10 -4.019 0.114 5.891 1.00 44.54 H new ATOM 211 N LYS A 11 -3.114 -0.959 1.642 1.00 33.30 N ATOM 212 CA LYS A 11 -2.678 -1.640 0.429 1.00 11.20 C ATOM 213 C LYS A 11 -2.721 -0.696 -0.769 1.00 71.21 C ATOM 214 O LYS A 11 -1.921 -0.817 -1.697 1.00 22.32 O ATOM 215 CB LYS A 11 -3.559 -2.862 0.161 1.00 52.23 C ATOM 216 CG LYS A 11 -3.515 -3.899 1.269 1.00 63.53 C ATOM 217 CD LYS A 11 -4.677 -4.872 1.170 1.00 51.22 C ATOM 218 CE LYS A 11 -4.434 -5.925 0.099 1.00 2.51 C ATOM 219 NZ LYS A 11 -5.646 -6.753 -0.150 1.00 63.20 N ATOM 0 H LYS A 11 -3.948 -1.359 2.073 1.00 33.30 H new ATOM 0 HA LYS A 11 -1.649 -1.967 0.575 1.00 11.20 H new ATOM 0 HB2 LYS A 11 -4.589 -2.533 0.023 1.00 52.23 H new ATOM 0 HB3 LYS A 11 -3.245 -3.328 -0.773 1.00 52.23 H new ATOM 0 HG2 LYS A 11 -2.575 -4.448 1.217 1.00 63.53 H new ATOM 0 HG3 LYS A 11 -3.540 -3.399 2.237 1.00 63.53 H new ATOM 0 HD2 LYS A 11 -4.828 -5.359 2.133 1.00 51.22 H new ATOM 0 HD3 LYS A 11 -5.592 -4.325 0.943 1.00 51.22 H new ATOM 0 HE2 LYS A 11 -4.131 -5.437 -0.827 1.00 2.51 H new ATOM 0 HE3 LYS A 11 -3.610 -6.570 0.404 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 -5.439 -7.458 -0.886 1.00 63.20 H new ATOM 0 HZ2 LYS A 11 -5.921 -7.239 0.728 1.00 63.20 H new ATOM 0 HZ3 LYS A 11 -6.425 -6.141 -0.466 1.00 63.20 H new ATOM 233 N LYS A 12 -3.659 0.245 -0.742 1.00 32.41 N ATOM 234 CA LYS A 12 -3.805 1.211 -1.825 1.00 13.14 C ATOM 235 C LYS A 12 -2.736 2.294 -1.734 1.00 24.23 C ATOM 236 O LYS A 12 -2.066 2.601 -2.720 1.00 1.33 O ATOM 237 CB LYS A 12 -5.196 1.848 -1.782 1.00 15.31 C ATOM 238 CG LYS A 12 -6.186 1.213 -2.744 1.00 51.14 C ATOM 239 CD LYS A 12 -6.800 2.247 -3.674 1.00 21.34 C ATOM 240 CE LYS A 12 -5.939 2.470 -4.907 1.00 3.22 C ATOM 241 NZ LYS A 12 -6.741 2.955 -6.064 1.00 63.21 N ATOM 0 H LYS A 12 -4.330 0.359 0.018 1.00 32.41 H new ATOM 0 HA LYS A 12 -3.683 0.682 -2.770 1.00 13.14 H new ATOM 0 HB2 LYS A 12 -5.589 1.774 -0.768 1.00 15.31 H new ATOM 0 HB3 LYS A 12 -5.108 2.910 -2.013 1.00 15.31 H new ATOM 0 HG2 LYS A 12 -5.682 0.446 -3.333 1.00 51.14 H new ATOM 0 HG3 LYS A 12 -6.975 0.715 -2.180 1.00 51.14 H new ATOM 0 HD2 LYS A 12 -7.794 1.919 -3.978 1.00 21.34 H new ATOM 0 HD3 LYS A 12 -6.924 3.189 -3.140 1.00 21.34 H new ATOM 0 HE2 LYS A 12 -5.158 3.194 -4.678 1.00 3.22 H new ATOM 0 HE3 LYS A 12 -5.441 1.538 -5.175 1.00 3.22 H new ATOM 0 HZ1 LYS A 12 -6.117 3.095 -6.884 1.00 63.21 H new ATOM 0 HZ2 LYS A 12 -7.471 2.252 -6.299 1.00 63.21 H new ATOM 0 HZ3 LYS A 12 -7.196 3.857 -5.817 1.00 63.21 H new ATOM 255 N SER A 13 -2.579 2.868 -0.546 1.00 33.14 N ATOM 256 CA SER A 13 -1.592 3.918 -0.328 1.00 2.13 C ATOM 257 C SER A 13 -0.176 3.380 -0.509 1.00 73.40 C ATOM 258 O SER A 13 0.605 3.907 -1.301 1.00 42.21 O ATOM 259 CB SER A 13 -1.748 4.512 1.074 1.00 0.02 C ATOM 260 OG SER A 13 -2.165 5.865 1.012 1.00 53.12 O ATOM 0 H SER A 13 -3.123 2.623 0.281 1.00 33.14 H new ATOM 0 HA SER A 13 -1.762 4.700 -1.068 1.00 2.13 H new ATOM 0 HB2 SER A 13 -2.475 3.930 1.640 1.00 0.02 H new ATOM 0 HB3 SER A 13 -0.800 4.445 1.608 1.00 0.02 H new ATOM 0 HG SER A 13 -2.259 6.220 1.920 1.00 53.12 H new ATOM 266 N VAL A 14 0.148 2.324 0.231 1.00 11.40 N ATOM 267 CA VAL A 14 1.468 1.711 0.152 1.00 5.12 C ATOM 268 C VAL A 14 1.785 1.269 -1.272 1.00 42.22 C ATOM 269 O VAL A 14 2.940 1.288 -1.698 1.00 2.00 O ATOM 270 CB VAL A 14 1.581 0.496 1.091 1.00 22.04 C ATOM 271 CG1 VAL A 14 2.845 -0.295 0.794 1.00 45.02 C ATOM 272 CG2 VAL A 14 1.552 0.943 2.545 1.00 2.22 C ATOM 0 H VAL A 14 -0.486 1.875 0.892 1.00 11.40 H new ATOM 0 HA VAL A 14 2.187 2.469 0.463 1.00 5.12 H new ATOM 0 HB VAL A 14 0.725 -0.156 0.917 1.00 22.04 H new ATOM 0 HG11 VAL A 14 2.906 -1.149 1.468 1.00 45.02 H new ATOM 0 HG12 VAL A 14 2.820 -0.647 -0.237 1.00 45.02 H new ATOM 0 HG13 VAL A 14 3.716 0.344 0.938 1.00 45.02 H new ATOM 0 HG21 VAL A 14 1.633 0.072 3.195 1.00 2.22 H new ATOM 0 HG22 VAL A 14 2.388 1.617 2.735 1.00 2.22 H new ATOM 0 HG23 VAL A 14 0.615 1.461 2.748 1.00 2.22 H new ATOM 282 N LYS A 15 0.751 0.871 -2.006 1.00 2.43 N ATOM 283 CA LYS A 15 0.917 0.426 -3.384 1.00 50.54 C ATOM 284 C LYS A 15 1.704 1.451 -4.197 1.00 75.00 C ATOM 285 O LYS A 15 2.575 1.094 -4.990 1.00 31.44 O ATOM 286 CB LYS A 15 -0.448 0.185 -4.032 1.00 41.43 C ATOM 287 CG LYS A 15 -0.744 -1.279 -4.302 1.00 24.50 C ATOM 288 CD LYS A 15 -2.124 -1.468 -4.907 1.00 74.33 C ATOM 289 CE LYS A 15 -2.168 -1.001 -6.354 1.00 4.31 C ATOM 290 NZ LYS A 15 -3.372 -0.172 -6.634 1.00 73.12 N ATOM 0 H LYS A 15 -0.211 0.848 -1.669 1.00 2.43 H new ATOM 0 HA LYS A 15 1.477 -0.509 -3.372 1.00 50.54 H new ATOM 0 HB2 LYS A 15 -1.225 0.590 -3.384 1.00 41.43 H new ATOM 0 HB3 LYS A 15 -0.497 0.736 -4.971 1.00 41.43 H new ATOM 0 HG2 LYS A 15 0.009 -1.684 -4.978 1.00 24.50 H new ATOM 0 HG3 LYS A 15 -0.674 -1.843 -3.372 1.00 24.50 H new ATOM 0 HD2 LYS A 15 -2.404 -2.520 -4.855 1.00 74.33 H new ATOM 0 HD3 LYS A 15 -2.858 -0.913 -4.322 1.00 74.33 H new ATOM 0 HE2 LYS A 15 -1.270 -0.424 -6.577 1.00 4.31 H new ATOM 0 HE3 LYS A 15 -2.162 -1.867 -7.015 1.00 4.31 H new ATOM 0 HZ1 LYS A 15 -3.364 0.126 -7.630 1.00 73.12 H new ATOM 0 HZ2 LYS A 15 -4.229 -0.730 -6.446 1.00 73.12 H new ATOM 0 HZ3 LYS A 15 -3.365 0.668 -6.021 1.00 73.12 H new ATOM 304 N LYS A 16 1.391 2.726 -3.993 1.00 33.11 N ATOM 305 CA LYS A 16 2.069 3.803 -4.704 1.00 1.34 C ATOM 306 C LYS A 16 3.539 3.879 -4.303 1.00 24.54 C ATOM 307 O LYS A 16 4.400 4.204 -5.120 1.00 71.33 O ATOM 308 CB LYS A 16 1.383 5.141 -4.420 1.00 34.02 C ATOM 309 CG LYS A 16 -0.010 5.248 -5.017 1.00 10.35 C ATOM 310 CD LYS A 16 -0.254 6.622 -5.620 1.00 24.23 C ATOM 311 CE LYS A 16 -1.571 6.672 -6.377 1.00 13.34 C ATOM 312 NZ LYS A 16 -1.630 7.829 -7.313 1.00 60.11 N ATOM 0 H LYS A 16 0.672 3.039 -3.341 1.00 33.11 H new ATOM 0 HA LYS A 16 2.012 3.592 -5.772 1.00 1.34 H new ATOM 0 HB2 LYS A 16 1.319 5.286 -3.342 1.00 34.02 H new ATOM 0 HB3 LYS A 16 2.001 5.948 -4.814 1.00 34.02 H new ATOM 0 HG2 LYS A 16 -0.138 4.485 -5.785 1.00 10.35 H new ATOM 0 HG3 LYS A 16 -0.754 5.051 -4.245 1.00 10.35 H new ATOM 0 HD2 LYS A 16 -0.259 7.372 -4.829 1.00 24.23 H new ATOM 0 HD3 LYS A 16 0.564 6.875 -6.294 1.00 24.23 H new ATOM 0 HE2 LYS A 16 -1.704 5.746 -6.936 1.00 13.34 H new ATOM 0 HE3 LYS A 16 -2.396 6.737 -5.667 1.00 13.34 H new ATOM 0 HZ1 LYS A 16 -2.544 7.827 -7.810 1.00 60.11 H new ATOM 0 HZ2 LYS A 16 -1.529 8.715 -6.777 1.00 60.11 H new ATOM 0 HZ3 LYS A 16 -0.859 7.754 -8.007 1.00 60.11 H new ATOM 326 N ARG A 17 3.819 3.576 -3.039 1.00 0.21 N ATOM 327 CA ARG A 17 5.185 3.610 -2.530 1.00 51.31 C ATOM 328 C ARG A 17 6.041 2.537 -3.197 1.00 53.04 C ATOM 329 O ARG A 17 7.091 2.832 -3.768 1.00 45.34 O ATOM 330 CB ARG A 17 5.192 3.411 -1.013 1.00 51.34 C ATOM 331 CG ARG A 17 5.447 4.690 -0.233 1.00 3.13 C ATOM 332 CD ARG A 17 4.303 5.679 -0.393 1.00 53.11 C ATOM 333 NE ARG A 17 4.252 6.640 0.706 1.00 42.12 N ATOM 334 CZ ARG A 17 3.332 7.592 0.807 1.00 12.43 C ATOM 335 NH1 ARG A 17 2.390 7.710 -0.119 1.00 74.50 N ATOM 336 NH2 ARG A 17 3.352 8.429 1.837 1.00 55.12 N ATOM 0 H ARG A 17 3.118 3.304 -2.349 1.00 0.21 H new ATOM 0 HA ARG A 17 5.608 4.587 -2.764 1.00 51.31 H new ATOM 0 HB2 ARG A 17 4.234 2.993 -0.705 1.00 51.34 H new ATOM 0 HB3 ARG A 17 5.957 2.679 -0.754 1.00 51.34 H new ATOM 0 HG2 ARG A 17 5.579 4.453 0.823 1.00 3.13 H new ATOM 0 HG3 ARG A 17 6.375 5.147 -0.576 1.00 3.13 H new ATOM 0 HD2 ARG A 17 4.415 6.213 -1.337 1.00 53.11 H new ATOM 0 HD3 ARG A 17 3.359 5.136 -0.444 1.00 53.11 H new ATOM 0 HE ARG A 17 4.962 6.576 1.436 1.00 42.12 H new ATOM 0 HH11 ARG A 17 2.371 7.068 -0.912 1.00 74.50 H new ATOM 0 HH12 ARG A 17 1.685 8.442 -0.039 1.00 74.50 H new ATOM 0 HH21 ARG A 17 4.075 8.341 2.552 1.00 55.12 H new ATOM 0 HH22 ARG A 17 2.645 9.160 1.914 1.00 55.12 H new ATOM 350 N LEU A 18 5.585 1.292 -3.122 1.00 34.32 N ATOM 351 CA LEU A 18 6.308 0.174 -3.718 1.00 51.25 C ATOM 352 C LEU A 18 6.548 0.413 -5.206 1.00 11.21 C ATOM 353 O LEU A 18 7.500 -0.111 -5.784 1.00 61.41 O ATOM 354 CB LEU A 18 5.530 -1.127 -3.519 1.00 34.50 C ATOM 355 CG LEU A 18 5.684 -1.799 -2.155 1.00 20.33 C ATOM 356 CD1 LEU A 18 4.353 -2.368 -1.686 1.00 5.23 C ATOM 357 CD2 LEU A 18 6.741 -2.892 -2.215 1.00 62.01 C ATOM 0 H LEU A 18 4.717 1.031 -2.654 1.00 34.32 H new ATOM 0 HA LEU A 18 7.274 0.092 -3.220 1.00 51.25 H new ATOM 0 HB2 LEU A 18 4.472 -0.923 -3.684 1.00 34.50 H new ATOM 0 HB3 LEU A 18 5.842 -1.834 -4.287 1.00 34.50 H new ATOM 0 HG LEU A 18 6.008 -1.047 -1.436 1.00 20.33 H new ATOM 0 HD11 LEU A 18 4.483 -2.842 -0.713 1.00 5.23 H new ATOM 0 HD12 LEU A 18 3.622 -1.563 -1.603 1.00 5.23 H new ATOM 0 HD13 LEU A 18 3.999 -3.106 -2.406 1.00 5.23 H new ATOM 0 HD21 LEU A 18 6.837 -3.359 -1.235 1.00 62.01 H new ATOM 0 HD22 LEU A 18 6.447 -3.643 -2.948 1.00 62.01 H new ATOM 0 HD23 LEU A 18 7.698 -2.457 -2.505 1.00 62.01 H new ATOM 369 N LYS A 19 5.681 1.210 -5.820 1.00 11.52 N ATOM 370 CA LYS A 19 5.800 1.523 -7.239 1.00 11.21 C ATOM 371 C LYS A 19 7.201 2.028 -7.569 1.00 52.14 C ATOM 372 O LYS A 19 7.707 1.808 -8.669 1.00 65.14 O ATOM 373 CB LYS A 19 4.760 2.572 -7.640 1.00 42.12 C ATOM 374 CG LYS A 19 4.575 2.702 -9.142 1.00 15.00 C ATOM 375 CD LYS A 19 3.659 3.863 -9.493 1.00 74.43 C ATOM 376 CE LYS A 19 2.245 3.386 -9.792 1.00 71.23 C ATOM 377 NZ LYS A 19 1.219 4.293 -9.208 1.00 10.24 N ATOM 0 H LYS A 19 4.887 1.652 -5.357 1.00 11.52 H new ATOM 0 HA LYS A 19 5.620 0.608 -7.804 1.00 11.21 H new ATOM 0 HB2 LYS A 19 3.803 2.315 -7.185 1.00 42.12 H new ATOM 0 HB3 LYS A 19 5.056 3.539 -7.234 1.00 42.12 H new ATOM 0 HG2 LYS A 19 5.545 2.846 -9.618 1.00 15.00 H new ATOM 0 HG3 LYS A 19 4.159 1.776 -9.540 1.00 15.00 H new ATOM 0 HD2 LYS A 19 3.637 4.574 -8.667 1.00 74.43 H new ATOM 0 HD3 LYS A 19 4.056 4.393 -10.359 1.00 74.43 H new ATOM 0 HE2 LYS A 19 2.103 3.324 -10.871 1.00 71.23 H new ATOM 0 HE3 LYS A 19 2.109 2.380 -9.394 1.00 71.23 H new ATOM 0 HZ1 LYS A 19 0.269 3.934 -9.434 1.00 10.24 H new ATOM 0 HZ2 LYS A 19 1.338 4.333 -8.176 1.00 10.24 H new ATOM 0 HZ3 LYS A 19 1.332 5.247 -9.606 1.00 10.24 H new ATOM 391 N LYS A 20 7.822 2.706 -6.610 1.00 24.33 N ATOM 392 CA LYS A 20 9.166 3.240 -6.797 1.00 30.02 C ATOM 393 C LYS A 20 10.213 2.140 -6.654 1.00 55.34 C ATOM 394 O LYS A 20 11.251 2.170 -7.315 1.00 71.44 O ATOM 395 CB LYS A 20 9.439 4.354 -5.784 1.00 62.32 C ATOM 396 CG LYS A 20 8.781 5.675 -6.140 1.00 62.34 C ATOM 397 CD LYS A 20 7.434 5.829 -5.455 1.00 14.41 C ATOM 398 CE LYS A 20 7.501 6.831 -4.312 1.00 51.20 C ATOM 399 NZ LYS A 20 7.970 6.199 -3.048 1.00 13.01 N ATOM 0 H LYS A 20 7.416 2.899 -5.695 1.00 24.33 H new ATOM 0 HA LYS A 20 9.231 3.650 -7.805 1.00 30.02 H new ATOM 0 HB2 LYS A 20 9.087 4.035 -4.803 1.00 62.32 H new ATOM 0 HB3 LYS A 20 10.516 4.504 -5.703 1.00 62.32 H new ATOM 0 HG2 LYS A 20 9.434 6.498 -5.849 1.00 62.34 H new ATOM 0 HG3 LYS A 20 8.650 5.738 -7.220 1.00 62.34 H new ATOM 0 HD2 LYS A 20 6.690 6.154 -6.182 1.00 14.41 H new ATOM 0 HD3 LYS A 20 7.106 4.862 -5.074 1.00 14.41 H new ATOM 0 HE2 LYS A 20 8.173 7.646 -4.582 1.00 51.20 H new ATOM 0 HE3 LYS A 20 6.516 7.269 -4.155 1.00 51.20 H new ATOM 0 HZ1 LYS A 20 7.562 6.704 -2.235 1.00 13.01 H new ATOM 0 HZ2 LYS A 20 7.668 5.204 -3.025 1.00 13.01 H new ATOM 0 HZ3 LYS A 20 9.008 6.247 -3.000 1.00 13.01 H new ATOM 413 N ILE A 21 9.932 1.171 -5.790 1.00 44.14 N ATOM 414 CA ILE A 21 10.850 0.061 -5.564 1.00 74.40 C ATOM 415 C ILE A 21 10.844 -0.906 -6.742 1.00 74.34 C ATOM 416 O ILE A 21 11.832 -1.593 -7.002 1.00 34.42 O ATOM 417 CB ILE A 21 10.494 -0.711 -4.280 1.00 23.24 C ATOM 418 CG1 ILE A 21 10.484 0.234 -3.077 1.00 11.52 C ATOM 419 CG2 ILE A 21 11.479 -1.849 -4.056 1.00 32.43 C ATOM 420 CD1 ILE A 21 10.006 -0.418 -1.799 1.00 74.10 C ATOM 0 H ILE A 21 9.077 1.132 -5.235 1.00 44.14 H new ATOM 0 HA ILE A 21 11.845 0.492 -5.456 1.00 74.40 H new ATOM 0 HB ILE A 21 9.497 -1.136 -4.394 1.00 23.24 H new ATOM 0 HG12 ILE A 21 11.491 0.623 -2.922 1.00 11.52 H new ATOM 0 HG13 ILE A 21 9.844 1.087 -3.301 1.00 11.52 H new ATOM 0 HG21 ILE A 21 11.214 -2.385 -3.145 1.00 32.43 H new ATOM 0 HG22 ILE A 21 11.443 -2.534 -4.903 1.00 32.43 H new ATOM 0 HG23 ILE A 21 12.486 -1.444 -3.959 1.00 32.43 H new ATOM 0 HD11 ILE A 21 10.026 0.311 -0.989 1.00 74.10 H new ATOM 0 HD12 ILE A 21 8.988 -0.782 -1.935 1.00 74.10 H new ATOM 0 HD13 ILE A 21 10.660 -1.254 -1.550 1.00 74.10 H new ATOM 432 N PHE A 22 9.722 -0.955 -7.455 1.00 44.22 N ATOM 433 CA PHE A 22 9.588 -1.837 -8.608 1.00 54.31 C ATOM 434 C PHE A 22 9.839 -1.077 -9.907 1.00 63.12 C ATOM 435 O PHE A 22 9.321 -1.441 -10.963 1.00 71.43 O ATOM 436 CB PHE A 22 8.193 -2.466 -8.635 1.00 13.02 C ATOM 437 CG PHE A 22 7.989 -3.516 -7.580 1.00 63.40 C ATOM 438 CD1 PHE A 22 8.535 -4.782 -7.728 1.00 11.42 C ATOM 439 CD2 PHE A 22 7.252 -3.238 -6.440 1.00 52.23 C ATOM 440 CE1 PHE A 22 8.349 -5.749 -6.759 1.00 63.14 C ATOM 441 CE2 PHE A 22 7.063 -4.202 -5.468 1.00 54.13 C ATOM 442 CZ PHE A 22 7.612 -5.459 -5.628 1.00 71.25 C ATOM 0 H PHE A 22 8.894 -0.394 -7.254 1.00 44.22 H new ATOM 0 HA PHE A 22 10.335 -2.626 -8.519 1.00 54.31 H new ATOM 0 HB2 PHE A 22 7.447 -1.682 -8.505 1.00 13.02 H new ATOM 0 HB3 PHE A 22 8.022 -2.910 -9.616 1.00 13.02 H new ATOM 0 HD1 PHE A 22 9.112 -5.015 -8.611 1.00 11.42 H new ATOM 0 HD2 PHE A 22 6.820 -2.257 -6.310 1.00 52.23 H new ATOM 0 HE1 PHE A 22 8.780 -6.731 -6.886 1.00 63.14 H new ATOM 0 HE2 PHE A 22 6.486 -3.973 -4.584 1.00 54.13 H new ATOM 0 HZ PHE A 22 7.465 -6.214 -4.870 1.00 71.25 H new ATOM 452 N LYS A 23 10.638 -0.019 -9.822 1.00 62.31 N ATOM 453 CA LYS A 23 10.962 0.793 -10.988 1.00 54.33 C ATOM 454 C LYS A 23 12.032 0.119 -11.840 1.00 51.25 C ATOM 455 O LYS A 23 12.023 0.226 -13.068 1.00 15.43 O ATOM 456 CB LYS A 23 11.438 2.181 -10.554 1.00 64.51 C ATOM 457 CG LYS A 23 11.144 3.271 -11.569 1.00 62.34 C ATOM 458 CD LYS A 23 12.396 3.684 -12.323 1.00 4.33 C ATOM 459 CE LYS A 23 12.130 4.868 -13.240 1.00 23.42 C ATOM 460 NZ LYS A 23 13.356 5.680 -13.469 1.00 43.40 N ATOM 0 H LYS A 23 11.074 0.296 -8.955 1.00 62.31 H new ATOM 0 HA LYS A 23 10.058 0.898 -11.588 1.00 54.33 H new ATOM 0 HB2 LYS A 23 10.962 2.439 -9.608 1.00 64.51 H new ATOM 0 HB3 LYS A 23 12.512 2.147 -10.371 1.00 64.51 H new ATOM 0 HG2 LYS A 23 10.393 2.918 -12.275 1.00 62.34 H new ATOM 0 HG3 LYS A 23 10.722 4.138 -11.061 1.00 62.34 H new ATOM 0 HD2 LYS A 23 13.181 3.942 -11.612 1.00 4.33 H new ATOM 0 HD3 LYS A 23 12.762 2.842 -12.911 1.00 4.33 H new ATOM 0 HE2 LYS A 23 11.749 4.508 -14.196 1.00 23.42 H new ATOM 0 HE3 LYS A 23 11.354 5.497 -12.804 1.00 23.42 H new ATOM 0 HZ1 LYS A 23 13.132 6.477 -14.099 1.00 43.40 H new ATOM 0 HZ2 LYS A 23 13.706 6.045 -12.560 1.00 43.40 H new ATOM 0 HZ3 LYS A 23 14.088 5.087 -13.908 1.00 43.40 H new ATOM 474 N LYS A 24 12.954 -0.576 -11.184 1.00 4.41 N ATOM 475 CA LYS A 24 14.030 -1.270 -11.881 1.00 4.23 C ATOM 476 C LYS A 24 13.477 -2.161 -12.987 1.00 53.04 C ATOM 477 O LYS A 24 12.328 -2.602 -12.946 1.00 30.24 O ATOM 478 CB LYS A 24 14.846 -2.109 -10.894 1.00 50.04 C ATOM 479 CG LYS A 24 14.002 -3.057 -10.060 1.00 62.02 C ATOM 480 CD LYS A 24 14.609 -4.450 -10.014 1.00 1.52 C ATOM 481 CE LYS A 24 15.931 -4.457 -9.262 1.00 72.13 C ATOM 482 NZ LYS A 24 15.779 -4.990 -7.879 1.00 61.03 N ATOM 0 H LYS A 24 12.978 -0.674 -10.169 1.00 4.41 H new ATOM 0 HA LYS A 24 14.678 -0.520 -12.334 1.00 4.23 H new ATOM 0 HB2 LYS A 24 15.587 -2.686 -11.447 1.00 50.04 H new ATOM 0 HB3 LYS A 24 15.393 -1.442 -10.228 1.00 50.04 H new ATOM 0 HG2 LYS A 24 13.908 -2.666 -9.047 1.00 62.02 H new ATOM 0 HG3 LYS A 24 12.996 -3.111 -10.475 1.00 62.02 H new ATOM 0 HD2 LYS A 24 13.912 -5.136 -9.533 1.00 1.52 H new ATOM 0 HD3 LYS A 24 14.765 -4.814 -11.030 1.00 1.52 H new ATOM 0 HE2 LYS A 24 16.656 -5.062 -9.807 1.00 72.13 H new ATOM 0 HE3 LYS A 24 16.330 -3.444 -9.219 1.00 72.13 H new ATOM 0 HZ1 LYS A 24 16.702 -4.979 -7.399 1.00 61.03 H new ATOM 0 HZ2 LYS A 24 15.107 -4.398 -7.351 1.00 61.03 H new ATOM 0 HZ3 LYS A 24 15.422 -5.966 -7.920 1.00 61.03 H new ATOM 496 N PRO A 25 14.311 -2.435 -14.001 1.00 51.24 N ATOM 497 CA PRO A 25 13.926 -3.278 -15.137 1.00 64.22 C ATOM 498 C PRO A 25 13.767 -4.743 -14.744 1.00 34.11 C ATOM 499 O PRO A 25 14.428 -5.224 -13.824 1.00 51.42 O ATOM 500 CB PRO A 25 15.093 -3.111 -16.114 1.00 44.31 C ATOM 501 CG PRO A 25 16.256 -2.747 -15.257 1.00 50.21 C ATOM 502 CD PRO A 25 15.695 -1.943 -14.117 1.00 15.53 C ATOM 0 HA PRO A 25 12.960 -2.988 -15.551 1.00 64.22 H new ATOM 0 HB2 PRO A 25 15.281 -4.031 -16.667 1.00 44.31 H new ATOM 0 HB3 PRO A 25 14.885 -2.334 -16.850 1.00 44.31 H new ATOM 0 HG2 PRO A 25 16.766 -3.639 -14.892 1.00 50.21 H new ATOM 0 HG3 PRO A 25 16.989 -2.168 -15.819 1.00 50.21 H new ATOM 0 HD2 PRO A 25 16.257 -2.104 -13.197 1.00 15.53 H new ATOM 0 HD3 PRO A 25 15.725 -0.874 -14.326 1.00 15.53 H new ATOM 510 N MET A 26 12.886 -5.447 -15.448 1.00 44.02 N ATOM 511 CA MET A 26 12.642 -6.857 -15.172 1.00 63.42 C ATOM 512 C MET A 26 13.779 -7.722 -15.710 1.00 21.04 C ATOM 513 O MET A 26 14.447 -8.426 -14.953 1.00 23.33 O ATOM 514 CB MET A 26 11.315 -7.298 -15.792 1.00 71.03 C ATOM 515 CG MET A 26 10.529 -8.267 -14.924 1.00 22.30 C ATOM 516 SD MET A 26 8.978 -8.782 -15.685 1.00 2.23 S ATOM 517 CE MET A 26 7.926 -7.389 -15.286 1.00 41.43 C ATOM 0 H MET A 26 12.330 -5.064 -16.213 1.00 44.02 H new ATOM 0 HA MET A 26 12.591 -6.986 -14.091 1.00 63.42 H new ATOM 0 HB2 MET A 26 10.703 -6.417 -15.984 1.00 71.03 H new ATOM 0 HB3 MET A 26 11.512 -7.765 -16.757 1.00 71.03 H new ATOM 0 HG2 MET A 26 11.140 -9.147 -14.724 1.00 22.30 H new ATOM 0 HG3 MET A 26 10.319 -7.799 -13.962 1.00 22.30 H new ATOM 0 HE1 MET A 26 6.928 -7.559 -15.691 1.00 41.43 H new ATOM 0 HE2 MET A 26 7.864 -7.278 -14.203 1.00 41.43 H new ATOM 0 HE3 MET A 26 8.344 -6.481 -15.721 1.00 41.43 H new ATOM 527 N VAL A 27 13.992 -7.662 -17.020 1.00 62.22 N ATOM 528 CA VAL A 27 15.049 -8.439 -17.658 1.00 10.51 C ATOM 529 C VAL A 27 16.415 -8.088 -17.078 1.00 64.31 C ATOM 530 O VAL A 27 16.742 -6.914 -16.899 1.00 74.14 O ATOM 531 CB VAL A 27 15.075 -8.206 -19.180 1.00 75.43 C ATOM 532 CG1 VAL A 27 15.327 -6.739 -19.493 1.00 63.33 C ATOM 533 CG2 VAL A 27 16.128 -9.089 -19.835 1.00 55.54 C ATOM 0 H VAL A 27 13.448 -7.084 -17.660 1.00 62.22 H new ATOM 0 HA VAL A 27 14.833 -9.489 -17.462 1.00 10.51 H new ATOM 0 HB VAL A 27 14.101 -8.476 -19.588 1.00 75.43 H new ATOM 0 HG11 VAL A 27 15.342 -6.595 -20.573 1.00 63.33 H new ATOM 0 HG12 VAL A 27 14.533 -6.132 -19.057 1.00 63.33 H new ATOM 0 HG13 VAL A 27 16.287 -6.437 -19.074 1.00 63.33 H new ATOM 0 HG21 VAL A 27 16.133 -8.912 -20.911 1.00 55.54 H new ATOM 0 HG22 VAL A 27 17.109 -8.852 -19.423 1.00 55.54 H new ATOM 0 HG23 VAL A 27 15.897 -10.136 -19.641 1.00 55.54 H new ATOM 543 N ILE A 28 17.209 -9.113 -16.788 1.00 74.30 N ATOM 544 CA ILE A 28 18.540 -8.914 -16.229 1.00 42.31 C ATOM 545 C ILE A 28 19.621 -9.244 -17.254 1.00 23.54 C ATOM 546 O ILE A 28 19.519 -10.229 -17.983 1.00 52.14 O ATOM 547 CB ILE A 28 18.759 -9.776 -14.972 1.00 43.11 C ATOM 548 CG1 ILE A 28 17.686 -9.472 -13.925 1.00 53.45 C ATOM 549 CG2 ILE A 28 20.148 -9.536 -14.400 1.00 3.32 C ATOM 550 CD1 ILE A 28 16.753 -10.633 -13.663 1.00 32.05 C ATOM 0 H ILE A 28 16.953 -10.090 -16.931 1.00 74.30 H new ATOM 0 HA ILE A 28 18.612 -7.862 -15.953 1.00 42.31 H new ATOM 0 HB ILE A 28 18.679 -10.826 -15.252 1.00 43.11 H new ATOM 0 HG12 ILE A 28 18.171 -9.188 -12.991 1.00 53.45 H new ATOM 0 HG13 ILE A 28 17.101 -8.613 -14.254 1.00 53.45 H new ATOM 0 HG21 ILE A 28 20.287 -10.153 -13.512 1.00 3.32 H new ATOM 0 HG22 ILE A 28 20.899 -9.798 -15.145 1.00 3.32 H new ATOM 0 HG23 ILE A 28 20.255 -8.485 -14.132 1.00 3.32 H new ATOM 0 HD11 ILE A 28 16.018 -10.347 -12.910 1.00 32.05 H new ATOM 0 HD12 ILE A 28 16.240 -10.903 -14.586 1.00 32.05 H new ATOM 0 HD13 ILE A 28 17.327 -11.487 -13.303 1.00 32.05 H new ATOM 562 N GLY A 29 20.659 -8.414 -17.300 1.00 12.31 N ATOM 563 CA GLY A 29 21.745 -8.635 -18.236 1.00 75.23 C ATOM 564 C GLY A 29 21.690 -7.691 -19.422 1.00 22.42 C ATOM 565 O GLY A 29 21.934 -8.096 -20.558 1.00 44.02 O ATOM 0 H GLY A 29 20.767 -7.592 -16.705 1.00 12.31 H new ATOM 0 HA2 GLY A 29 22.697 -8.510 -17.720 1.00 75.23 H new ATOM 0 HA3 GLY A 29 21.709 -9.664 -18.593 1.00 75.23 H new ATOM 569 N VAL A 30 21.366 -6.430 -19.157 1.00 54.40 N ATOM 570 CA VAL A 30 21.279 -5.426 -20.211 1.00 3.33 C ATOM 571 C VAL A 30 21.755 -4.066 -19.714 1.00 12.43 C ATOM 572 O VAL A 30 21.253 -3.545 -18.716 1.00 71.33 O ATOM 573 CB VAL A 30 19.839 -5.292 -20.741 1.00 11.32 C ATOM 574 CG1 VAL A 30 19.443 -6.531 -21.531 1.00 45.44 C ATOM 575 CG2 VAL A 30 18.870 -5.049 -19.595 1.00 12.22 C ATOM 0 H VAL A 30 21.159 -6.079 -18.222 1.00 54.40 H new ATOM 0 HA VAL A 30 21.926 -5.760 -21.022 1.00 3.33 H new ATOM 0 HB VAL A 30 19.796 -4.434 -21.411 1.00 11.32 H new ATOM 0 HG11 VAL A 30 18.423 -6.418 -21.897 1.00 45.44 H new ATOM 0 HG12 VAL A 30 20.120 -6.656 -22.376 1.00 45.44 H new ATOM 0 HG13 VAL A 30 19.502 -7.408 -20.886 1.00 45.44 H new ATOM 0 HG21 VAL A 30 17.857 -4.957 -19.988 1.00 12.22 H new ATOM 0 HG22 VAL A 30 18.914 -5.886 -18.898 1.00 12.22 H new ATOM 0 HG23 VAL A 30 19.143 -4.130 -19.076 1.00 12.22 H new ATOM 585 N THR A 31 22.726 -3.491 -20.417 1.00 0.34 N ATOM 586 CA THR A 31 23.270 -2.190 -20.047 1.00 75.23 C ATOM 587 C THR A 31 23.548 -1.340 -21.281 1.00 52.41 C ATOM 588 O THR A 31 23.931 -1.858 -22.331 1.00 20.54 O ATOM 589 CB THR A 31 24.570 -2.336 -19.235 1.00 0.13 C ATOM 590 OG1 THR A 31 25.493 -3.179 -19.933 1.00 42.03 O ATOM 591 CG2 THR A 31 24.286 -2.917 -17.858 1.00 31.23 C ATOM 0 H THR A 31 23.152 -3.906 -21.246 1.00 0.34 H new ATOM 0 HA THR A 31 22.519 -1.696 -19.431 1.00 75.23 H new ATOM 0 HB THR A 31 25.007 -1.345 -19.111 1.00 0.13 H new ATOM 0 HG1 THR A 31 26.317 -3.265 -19.410 1.00 42.03 H new ATOM 0 HG21 THR A 31 25.219 -3.011 -17.303 1.00 31.23 H new ATOM 0 HG22 THR A 31 23.607 -2.257 -17.318 1.00 31.23 H new ATOM 0 HG23 THR A 31 23.827 -3.900 -17.965 1.00 31.23 H new ATOM 599 N ILE A 32 23.353 -0.032 -21.149 1.00 75.21 N ATOM 600 CA ILE A 32 23.585 0.890 -22.254 1.00 53.34 C ATOM 601 C ILE A 32 25.009 0.766 -22.784 1.00 32.04 C ATOM 602 O ILE A 32 25.981 0.762 -22.028 1.00 11.32 O ATOM 603 CB ILE A 32 23.331 2.350 -21.833 1.00 21.50 C ATOM 604 CG1 ILE A 32 23.447 3.280 -23.041 1.00 50.13 C ATOM 605 CG2 ILE A 32 24.309 2.763 -20.743 1.00 53.11 C ATOM 606 CD1 ILE A 32 23.235 4.738 -22.704 1.00 3.55 C ATOM 0 H ILE A 32 23.035 0.413 -20.288 1.00 75.21 H new ATOM 0 HA ILE A 32 22.882 0.620 -23.042 1.00 53.34 H new ATOM 0 HB ILE A 32 22.319 2.428 -21.436 1.00 21.50 H new ATOM 0 HG12 ILE A 32 24.433 3.159 -23.489 1.00 50.13 H new ATOM 0 HG13 ILE A 32 22.717 2.979 -23.792 1.00 50.13 H new ATOM 0 HG21 ILE A 32 24.118 3.797 -20.455 1.00 53.11 H new ATOM 0 HG22 ILE A 32 24.182 2.115 -19.875 1.00 53.11 H new ATOM 0 HG23 ILE A 32 25.329 2.673 -21.116 1.00 53.11 H new ATOM 0 HD11 ILE A 32 23.332 5.338 -23.609 1.00 3.55 H new ATOM 0 HD12 ILE A 32 22.238 4.873 -22.284 1.00 3.55 H new ATOM 0 HD13 ILE A 32 23.982 5.055 -21.976 1.00 3.55 H new ATOM 618 N PRO A 33 25.138 0.664 -24.115 1.00 23.02 N ATOM 619 CA PRO A 33 26.440 0.540 -24.777 1.00 45.30 C ATOM 620 C PRO A 33 27.255 1.827 -24.698 1.00 20.31 C ATOM 621 O PRO A 33 26.964 2.801 -25.393 1.00 70.53 O ATOM 622 CB PRO A 33 26.073 0.228 -26.230 1.00 11.53 C ATOM 623 CG PRO A 33 24.710 0.804 -26.407 1.00 43.25 C ATOM 624 CD PRO A 33 24.023 0.661 -25.077 1.00 24.51 C ATOM 0 HA PRO A 33 27.064 -0.221 -24.309 1.00 45.30 H new ATOM 0 HB2 PRO A 33 26.785 0.675 -26.923 1.00 11.53 H new ATOM 0 HB3 PRO A 33 26.077 -0.846 -26.418 1.00 11.53 H new ATOM 0 HG2 PRO A 33 24.765 1.850 -26.707 1.00 43.25 H new ATOM 0 HG3 PRO A 33 24.162 0.277 -27.188 1.00 43.25 H new ATOM 0 HD2 PRO A 33 23.331 1.482 -24.892 1.00 24.51 H new ATOM 0 HD3 PRO A 33 23.446 -0.262 -25.020 1.00 24.51 H new ATOM 632 N PHE A 34 28.277 1.824 -23.848 1.00 71.40 N ATOM 633 CA PHE A 34 29.134 2.992 -23.679 1.00 13.12 C ATOM 634 C PHE A 34 30.560 2.575 -23.333 1.00 33.42 C ATOM 635 O PHE A 34 31.304 2.103 -24.192 1.00 21.44 O ATOM 636 CB PHE A 34 28.577 3.904 -22.584 1.00 23.11 C ATOM 637 CG PHE A 34 28.199 5.271 -23.078 1.00 12.44 C ATOM 638 CD1 PHE A 34 29.175 6.209 -23.377 1.00 74.51 C ATOM 639 CD2 PHE A 34 26.868 5.620 -23.241 1.00 34.01 C ATOM 640 CE1 PHE A 34 28.830 7.468 -23.832 1.00 62.02 C ATOM 641 CE2 PHE A 34 26.517 6.876 -23.696 1.00 2.52 C ATOM 642 CZ PHE A 34 27.499 7.802 -23.990 1.00 42.34 C ATOM 0 H PHE A 34 28.532 1.026 -23.266 1.00 71.40 H new ATOM 0 HA PHE A 34 29.153 3.538 -24.622 1.00 13.12 H new ATOM 0 HB2 PHE A 34 27.701 3.432 -22.140 1.00 23.11 H new ATOM 0 HB3 PHE A 34 29.320 4.005 -21.793 1.00 23.11 H new ATOM 0 HD1 PHE A 34 30.217 5.953 -23.253 1.00 74.51 H new ATOM 0 HD2 PHE A 34 26.096 4.901 -23.010 1.00 34.01 H new ATOM 0 HE1 PHE A 34 29.600 8.189 -24.064 1.00 62.02 H new ATOM 0 HE2 PHE A 34 25.476 7.134 -23.822 1.00 2.52 H new ATOM 0 HZ PHE A 34 27.226 8.786 -24.343 1.00 42.34 H new TER 652 PHE A 34