USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 280 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 3 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0101) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.203 K(o=-0.2,f=-0.91) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0907 X(o=-0.091,f=-0.54) USER MOD Single : A 34 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 -1.891 -1.889 1.706 1.00 53.35 N ATOM 50 CA LYS A 3 -3.140 -1.581 2.392 1.00 33.11 C ATOM 51 C LYS A 3 -4.208 -1.129 1.402 1.00 55.42 C ATOM 52 O LYS A 3 -5.139 -1.874 1.095 1.00 61.43 O ATOM 53 CB LYS A 3 -2.913 -0.494 3.445 1.00 20.33 C ATOM 54 CG LYS A 3 -2.765 -1.036 4.856 1.00 24.34 C ATOM 55 CD LYS A 3 -4.066 -0.931 5.634 1.00 2.50 C ATOM 56 CE LYS A 3 -4.178 0.405 6.354 1.00 21.41 C ATOM 57 NZ LYS A 3 -3.341 0.443 7.585 1.00 34.45 N ATOM 0 HA LYS A 3 -3.488 -2.489 2.885 1.00 33.11 H new ATOM 0 HB2 LYS A 3 -2.017 0.070 3.186 1.00 20.33 H new ATOM 0 HB3 LYS A 3 -3.749 0.205 3.419 1.00 20.33 H new ATOM 0 HG2 LYS A 3 -2.448 -2.078 4.815 1.00 24.34 H new ATOM 0 HG3 LYS A 3 -1.983 -0.485 5.378 1.00 24.34 H new ATOM 0 HD2 LYS A 3 -4.909 -1.051 4.953 1.00 2.50 H new ATOM 0 HD3 LYS A 3 -4.124 -1.743 6.359 1.00 2.50 H new ATOM 0 HE2 LYS A 3 -3.872 1.207 5.682 1.00 21.41 H new ATOM 0 HE3 LYS A 3 -5.220 0.590 6.617 1.00 21.41 H new ATOM 0 HZ1 LYS A 3 -3.522 1.328 8.101 1.00 34.45 H new ATOM 0 HZ2 LYS A 3 -3.580 -0.367 8.192 1.00 34.45 H new ATOM 0 HZ3 LYS A 3 -2.336 0.394 7.323 1.00 34.45 H new ATOM 71 N ILE A 4 -4.067 0.096 0.905 1.00 75.52 N ATOM 72 CA ILE A 4 -5.019 0.645 -0.053 1.00 12.03 C ATOM 73 C ILE A 4 -5.236 -0.309 -1.222 1.00 63.41 C ATOM 74 O ILE A 4 -6.353 -0.460 -1.716 1.00 35.23 O ATOM 75 CB ILE A 4 -4.548 2.007 -0.596 1.00 71.25 C ATOM 76 CG1 ILE A 4 -5.540 2.537 -1.633 1.00 54.43 C ATOM 77 CG2 ILE A 4 -3.157 1.883 -1.201 1.00 14.31 C ATOM 78 CD1 ILE A 4 -5.522 4.044 -1.772 1.00 32.44 C ATOM 0 H ILE A 4 -3.303 0.726 1.150 1.00 75.52 H new ATOM 0 HA ILE A 4 -5.960 0.781 0.480 1.00 12.03 H new ATOM 0 HB ILE A 4 -4.502 2.716 0.231 1.00 71.25 H new ATOM 0 HG12 ILE A 4 -5.316 2.088 -2.601 1.00 54.43 H new ATOM 0 HG13 ILE A 4 -6.545 2.218 -1.359 1.00 54.43 H new ATOM 0 HG21 ILE A 4 -2.837 2.854 -1.581 1.00 14.31 H new ATOM 0 HG22 ILE A 4 -2.457 1.544 -0.437 1.00 14.31 H new ATOM 0 HG23 ILE A 4 -3.179 1.163 -2.019 1.00 14.31 H new ATOM 0 HD11 ILE A 4 -6.250 4.349 -2.524 1.00 32.44 H new ATOM 0 HD12 ILE A 4 -5.776 4.501 -0.815 1.00 32.44 H new ATOM 0 HD13 ILE A 4 -4.527 4.369 -2.077 1.00 32.44 H new ATOM 90 N PHE A 5 -4.159 -0.954 -1.660 1.00 40.51 N ATOM 91 CA PHE A 5 -4.231 -1.895 -2.771 1.00 43.04 C ATOM 92 C PHE A 5 -5.197 -3.034 -2.458 1.00 51.42 C ATOM 93 O PHE A 5 -6.259 -3.148 -3.070 1.00 73.10 O ATOM 94 CB PHE A 5 -2.842 -2.460 -3.080 1.00 14.53 C ATOM 95 CG PHE A 5 -2.793 -3.276 -4.339 1.00 54.15 C ATOM 96 CD1 PHE A 5 -3.270 -4.577 -4.357 1.00 13.33 C ATOM 97 CD2 PHE A 5 -2.271 -2.742 -5.507 1.00 31.34 C ATOM 98 CE1 PHE A 5 -3.226 -5.330 -5.514 1.00 64.24 C ATOM 99 CE2 PHE A 5 -2.224 -3.491 -6.668 1.00 11.04 C ATOM 100 CZ PHE A 5 -2.703 -4.786 -6.672 1.00 31.34 C ATOM 0 H PHE A 5 -3.227 -0.842 -1.262 1.00 40.51 H new ATOM 0 HA PHE A 5 -4.600 -1.358 -3.645 1.00 43.04 H new ATOM 0 HB2 PHE A 5 -2.134 -1.636 -3.163 1.00 14.53 H new ATOM 0 HB3 PHE A 5 -2.516 -3.078 -2.243 1.00 14.53 H new ATOM 0 HD1 PHE A 5 -3.681 -5.007 -3.456 1.00 13.33 H new ATOM 0 HD2 PHE A 5 -1.897 -1.729 -5.510 1.00 31.34 H new ATOM 0 HE1 PHE A 5 -3.600 -6.343 -5.514 1.00 64.24 H new ATOM 0 HE2 PHE A 5 -1.813 -3.064 -7.571 1.00 11.04 H new ATOM 0 HZ PHE A 5 -2.669 -5.373 -7.578 1.00 31.34 H new ATOM 110 N LYS A 6 -4.821 -3.875 -1.501 1.00 5.41 N ATOM 111 CA LYS A 6 -5.652 -5.005 -1.104 1.00 50.30 C ATOM 112 C LYS A 6 -7.046 -4.538 -0.697 1.00 30.00 C ATOM 113 O LYS A 6 -8.040 -5.215 -0.960 1.00 52.12 O ATOM 114 CB LYS A 6 -4.999 -5.764 0.053 1.00 5.51 C ATOM 115 CG LYS A 6 -5.858 -6.887 0.606 1.00 13.35 C ATOM 116 CD LYS A 6 -6.506 -6.496 1.924 1.00 3.14 C ATOM 117 CE LYS A 6 -7.016 -7.715 2.678 1.00 54.34 C ATOM 118 NZ LYS A 6 -6.744 -7.618 4.138 1.00 35.15 N ATOM 0 H LYS A 6 -3.945 -3.795 -0.985 1.00 5.41 H new ATOM 0 HA LYS A 6 -5.747 -5.673 -1.960 1.00 50.30 H new ATOM 0 HB2 LYS A 6 -4.049 -6.178 -0.285 1.00 5.51 H new ATOM 0 HB3 LYS A 6 -4.773 -5.062 0.856 1.00 5.51 H new ATOM 0 HG2 LYS A 6 -6.631 -7.145 -0.118 1.00 13.35 H new ATOM 0 HG3 LYS A 6 -5.246 -7.777 0.750 1.00 13.35 H new ATOM 0 HD2 LYS A 6 -5.784 -5.961 2.541 1.00 3.14 H new ATOM 0 HD3 LYS A 6 -7.333 -5.811 1.735 1.00 3.14 H new ATOM 0 HE2 LYS A 6 -8.089 -7.820 2.515 1.00 54.34 H new ATOM 0 HE3 LYS A 6 -6.543 -8.613 2.279 1.00 54.34 H new ATOM 0 HZ1 LYS A 6 -7.107 -8.468 4.616 1.00 35.15 H new ATOM 0 HZ2 LYS A 6 -5.719 -7.543 4.296 1.00 35.15 H new ATOM 0 HZ3 LYS A 6 -7.216 -6.776 4.524 1.00 35.15 H new ATOM 132 N LYS A 7 -7.112 -3.377 -0.055 1.00 11.32 N ATOM 133 CA LYS A 7 -8.384 -2.817 0.386 1.00 32.25 C ATOM 134 C LYS A 7 -9.280 -2.495 -0.806 1.00 4.14 C ATOM 135 O LYS A 7 -10.316 -3.130 -1.005 1.00 2.32 O ATOM 136 CB LYS A 7 -8.148 -1.554 1.217 1.00 15.32 C ATOM 137 CG LYS A 7 -9.371 -1.102 1.997 1.00 2.23 C ATOM 138 CD LYS A 7 -8.999 -0.631 3.393 1.00 3.22 C ATOM 139 CE LYS A 7 -10.007 0.374 3.930 1.00 62.14 C ATOM 140 NZ LYS A 7 -9.390 1.309 4.910 1.00 4.41 N ATOM 0 H LYS A 7 -6.299 -2.805 0.172 1.00 11.32 H new ATOM 0 HA LYS A 7 -8.886 -3.562 1.004 1.00 32.25 H new ATOM 0 HB2 LYS A 7 -7.330 -1.735 1.914 1.00 15.32 H new ATOM 0 HB3 LYS A 7 -7.831 -0.748 0.555 1.00 15.32 H new ATOM 0 HG2 LYS A 7 -9.868 -0.294 1.460 1.00 2.23 H new ATOM 0 HG3 LYS A 7 -10.083 -1.924 2.067 1.00 2.23 H new ATOM 0 HD2 LYS A 7 -8.945 -1.488 4.065 1.00 3.22 H new ATOM 0 HD3 LYS A 7 -8.008 -0.178 3.373 1.00 3.22 H new ATOM 0 HE2 LYS A 7 -10.429 0.943 3.102 1.00 62.14 H new ATOM 0 HE3 LYS A 7 -10.832 -0.157 4.405 1.00 62.14 H new ATOM 0 HZ1 LYS A 7 -10.109 1.978 5.252 1.00 4.41 H new ATOM 0 HZ2 LYS A 7 -9.009 0.769 5.713 1.00 4.41 H new ATOM 0 HZ3 LYS A 7 -8.619 1.835 4.450 1.00 4.41 H new ATOM 154 N ILE A 8 -8.873 -1.507 -1.595 1.00 42.32 N ATOM 155 CA ILE A 8 -9.637 -1.103 -2.769 1.00 34.14 C ATOM 156 C ILE A 8 -9.885 -2.287 -3.697 1.00 52.03 C ATOM 157 O ILE A 8 -10.962 -2.417 -4.278 1.00 70.32 O ATOM 158 CB ILE A 8 -8.918 0.009 -3.554 1.00 41.31 C ATOM 159 CG1 ILE A 8 -8.709 1.237 -2.666 1.00 5.32 C ATOM 160 CG2 ILE A 8 -9.712 0.378 -4.798 1.00 74.01 C ATOM 161 CD1 ILE A 8 -9.999 1.895 -2.229 1.00 71.44 C ATOM 0 H ILE A 8 -8.018 -0.971 -1.443 1.00 42.32 H new ATOM 0 HA ILE A 8 -10.592 -0.721 -2.408 1.00 34.14 H new ATOM 0 HB ILE A 8 -7.941 -0.361 -3.866 1.00 41.31 H new ATOM 0 HG12 ILE A 8 -8.143 0.944 -1.782 1.00 5.32 H new ATOM 0 HG13 ILE A 8 -8.104 1.966 -3.205 1.00 5.32 H new ATOM 0 HG21 ILE A 8 -9.191 1.165 -5.342 1.00 74.01 H new ATOM 0 HG22 ILE A 8 -9.814 -0.499 -5.438 1.00 74.01 H new ATOM 0 HG23 ILE A 8 -10.701 0.732 -4.507 1.00 74.01 H new ATOM 0 HD11 ILE A 8 -9.773 2.758 -1.603 1.00 71.44 H new ATOM 0 HD12 ILE A 8 -10.557 2.220 -3.107 1.00 71.44 H new ATOM 0 HD13 ILE A 8 -10.597 1.182 -1.662 1.00 71.44 H new ATOM 173 N GLU A 9 -8.881 -3.148 -3.830 1.00 71.13 N ATOM 174 CA GLU A 9 -8.991 -4.322 -4.688 1.00 33.21 C ATOM 175 C GLU A 9 -10.042 -5.290 -4.152 1.00 72.44 C ATOM 176 O GLU A 9 -10.909 -5.756 -4.893 1.00 11.25 O ATOM 177 CB GLU A 9 -7.639 -5.030 -4.798 1.00 0.33 C ATOM 178 CG GLU A 9 -7.639 -6.194 -5.774 1.00 44.22 C ATOM 179 CD GLU A 9 -7.207 -5.785 -7.169 1.00 51.02 C ATOM 180 OE1 GLU A 9 -7.327 -4.586 -7.499 1.00 72.42 O ATOM 181 OE2 GLU A 9 -6.750 -6.663 -7.931 1.00 2.44 O ATOM 0 H GLU A 9 -7.983 -3.055 -3.355 1.00 71.13 H new ATOM 0 HA GLU A 9 -9.300 -3.989 -5.679 1.00 33.21 H new ATOM 0 HB2 GLU A 9 -6.884 -4.307 -5.108 1.00 0.33 H new ATOM 0 HB3 GLU A 9 -7.347 -5.393 -3.813 1.00 0.33 H new ATOM 0 HG2 GLU A 9 -6.972 -6.973 -5.405 1.00 44.22 H new ATOM 0 HG3 GLU A 9 -8.639 -6.626 -5.819 1.00 44.22 H new ATOM 188 N LYS A 10 -9.958 -5.590 -2.861 1.00 32.23 N ATOM 189 CA LYS A 10 -10.901 -6.502 -2.224 1.00 22.15 C ATOM 190 C LYS A 10 -12.306 -5.910 -2.210 1.00 13.42 C ATOM 191 O LYS A 10 -13.244 -6.497 -2.750 1.00 42.10 O ATOM 192 CB LYS A 10 -10.453 -6.814 -0.794 1.00 13.24 C ATOM 193 CG LYS A 10 -11.357 -7.801 -0.075 1.00 63.11 C ATOM 194 CD LYS A 10 -12.046 -7.160 1.118 1.00 60.13 C ATOM 195 CE LYS A 10 -13.017 -8.123 1.784 1.00 24.02 C ATOM 196 NZ LYS A 10 -14.237 -7.427 2.278 1.00 72.22 N ATOM 0 H LYS A 10 -9.246 -5.215 -2.234 1.00 32.23 H new ATOM 0 HA LYS A 10 -10.921 -7.426 -2.802 1.00 22.15 H new ATOM 0 HB2 LYS A 10 -9.439 -7.214 -0.819 1.00 13.24 H new ATOM 0 HB3 LYS A 10 -10.416 -5.886 -0.223 1.00 13.24 H new ATOM 0 HG2 LYS A 10 -12.107 -8.181 -0.769 1.00 63.11 H new ATOM 0 HG3 LYS A 10 -10.770 -8.656 0.259 1.00 63.11 H new ATOM 0 HD2 LYS A 10 -11.298 -6.838 1.842 1.00 60.13 H new ATOM 0 HD3 LYS A 10 -12.581 -6.268 0.794 1.00 60.13 H new ATOM 0 HE2 LYS A 10 -13.304 -8.899 1.074 1.00 24.02 H new ATOM 0 HE3 LYS A 10 -12.521 -8.621 2.617 1.00 24.02 H new ATOM 0 HZ1 LYS A 10 -14.873 -8.117 2.725 1.00 72.22 H new ATOM 0 HZ2 LYS A 10 -13.966 -6.704 2.975 1.00 72.22 H new ATOM 0 HZ3 LYS A 10 -14.725 -6.973 1.480 1.00 72.22 H new ATOM 210 N VAL A 11 -12.445 -4.742 -1.590 1.00 15.11 N ATOM 211 CA VAL A 11 -13.736 -4.069 -1.508 1.00 51.44 C ATOM 212 C VAL A 11 -14.301 -3.793 -2.897 1.00 71.54 C ATOM 213 O VAL A 11 -15.516 -3.759 -3.089 1.00 62.24 O ATOM 214 CB VAL A 11 -13.628 -2.740 -0.738 1.00 12.54 C ATOM 215 CG1 VAL A 11 -13.031 -2.969 0.642 1.00 24.32 C ATOM 216 CG2 VAL A 11 -12.802 -1.733 -1.525 1.00 32.35 C ATOM 0 H VAL A 11 -11.679 -4.242 -1.137 1.00 15.11 H new ATOM 0 HA VAL A 11 -14.408 -4.738 -0.971 1.00 51.44 H new ATOM 0 HB VAL A 11 -14.631 -2.332 -0.611 1.00 12.54 H new ATOM 0 HG11 VAL A 11 -12.963 -2.018 1.171 1.00 24.32 H new ATOM 0 HG12 VAL A 11 -13.667 -3.653 1.205 1.00 24.32 H new ATOM 0 HG13 VAL A 11 -12.035 -3.400 0.541 1.00 24.32 H new ATOM 0 HG21 VAL A 11 -12.736 -0.800 -0.966 1.00 32.35 H new ATOM 0 HG22 VAL A 11 -11.800 -2.131 -1.686 1.00 32.35 H new ATOM 0 HG23 VAL A 11 -13.277 -1.546 -2.488 1.00 32.35 H new ATOM 226 N GLY A 12 -13.410 -3.598 -3.865 1.00 31.11 N ATOM 227 CA GLY A 12 -13.839 -3.329 -5.225 1.00 1.21 C ATOM 228 C GLY A 12 -14.437 -4.549 -5.897 1.00 3.03 C ATOM 229 O GLY A 12 -15.444 -4.449 -6.597 1.00 51.04 O ATOM 0 H GLY A 12 -12.399 -3.622 -3.731 1.00 31.11 H new ATOM 0 HA2 GLY A 12 -14.575 -2.525 -5.218 1.00 1.21 H new ATOM 0 HA3 GLY A 12 -12.988 -2.977 -5.808 1.00 1.21 H new ATOM 233 N ARG A 13 -13.814 -5.704 -5.685 1.00 13.14 N ATOM 234 CA ARG A 13 -14.290 -6.948 -6.278 1.00 24.15 C ATOM 235 C ARG A 13 -15.460 -7.517 -5.481 1.00 71.52 C ATOM 236 O ARG A 13 -16.364 -8.134 -6.043 1.00 71.21 O ATOM 237 CB ARG A 13 -13.156 -7.973 -6.342 1.00 22.15 C ATOM 238 CG ARG A 13 -13.512 -9.228 -7.122 1.00 15.22 C ATOM 239 CD ARG A 13 -12.288 -9.838 -7.786 1.00 1.13 C ATOM 240 NE ARG A 13 -12.621 -10.503 -9.042 1.00 60.33 N ATOM 241 CZ ARG A 13 -12.783 -9.861 -10.194 1.00 1.24 C ATOM 242 NH1 ARG A 13 -12.643 -8.543 -10.247 1.00 24.51 N ATOM 243 NH2 ARG A 13 -13.085 -10.536 -11.295 1.00 33.30 N ATOM 0 H ARG A 13 -12.979 -5.804 -5.107 1.00 13.14 H new ATOM 0 HA ARG A 13 -14.633 -6.732 -7.290 1.00 24.15 H new ATOM 0 HB2 ARG A 13 -12.282 -7.508 -6.798 1.00 22.15 H new ATOM 0 HB3 ARG A 13 -12.874 -8.254 -5.327 1.00 22.15 H new ATOM 0 HG2 ARG A 13 -13.965 -9.958 -6.451 1.00 15.22 H new ATOM 0 HG3 ARG A 13 -14.257 -8.987 -7.881 1.00 15.22 H new ATOM 0 HD2 ARG A 13 -11.551 -9.057 -7.974 1.00 1.13 H new ATOM 0 HD3 ARG A 13 -11.827 -10.555 -7.107 1.00 1.13 H new ATOM 0 HE ARG A 13 -12.736 -11.517 -9.035 1.00 60.33 H new ATOM 0 HH11 ARG A 13 -12.411 -8.020 -9.402 1.00 24.51 H new ATOM 0 HH12 ARG A 13 -12.768 -8.052 -11.132 1.00 24.51 H new ATOM 0 HH21 ARG A 13 -13.193 -11.550 -11.258 1.00 33.30 H new ATOM 0 HH22 ARG A 13 -13.209 -10.042 -12.178 1.00 33.30 H new ATOM 257 N ASN A 14 -15.435 -7.306 -4.169 1.00 72.13 N ATOM 258 CA ASN A 14 -16.494 -7.799 -3.295 1.00 65.24 C ATOM 259 C ASN A 14 -17.859 -7.306 -3.763 1.00 53.41 C ATOM 260 O ASN A 14 -18.729 -8.099 -4.123 1.00 64.51 O ATOM 261 CB ASN A 14 -16.243 -7.352 -1.854 1.00 12.31 C ATOM 262 CG ASN A 14 -17.447 -7.581 -0.960 1.00 42.52 C ATOM 263 OD1 ASN A 14 -18.233 -8.501 -1.183 1.00 30.33 O ATOM 264 ND2 ASN A 14 -17.596 -6.741 0.058 1.00 42.23 N ATOM 0 H ASN A 14 -14.693 -6.797 -3.688 1.00 72.13 H new ATOM 0 HA ASN A 14 -16.488 -8.888 -3.336 1.00 65.24 H new ATOM 0 HB2 ASN A 14 -15.387 -7.894 -1.452 1.00 12.31 H new ATOM 0 HB3 ASN A 14 -15.983 -6.294 -1.845 1.00 12.31 H new ATOM 0 HD21 ASN A 14 -18.387 -6.845 0.693 1.00 42.23 H new ATOM 0 HD22 ASN A 14 -16.919 -5.992 0.205 1.00 42.23 H new ATOM 271 N VAL A 15 -18.041 -5.989 -3.756 1.00 1.35 N ATOM 272 CA VAL A 15 -19.300 -5.388 -4.180 1.00 63.24 C ATOM 273 C VAL A 15 -19.721 -5.906 -5.551 1.00 62.20 C ATOM 274 O VAL A 15 -20.817 -6.443 -5.713 1.00 41.43 O ATOM 275 CB VAL A 15 -19.199 -3.852 -4.233 1.00 32.10 C ATOM 276 CG1 VAL A 15 -20.554 -3.239 -4.552 1.00 51.22 C ATOM 277 CG2 VAL A 15 -18.655 -3.309 -2.920 1.00 62.04 C ATOM 0 H VAL A 15 -17.332 -5.318 -3.461 1.00 1.35 H new ATOM 0 HA VAL A 15 -20.050 -5.670 -3.441 1.00 63.24 H new ATOM 0 HB VAL A 15 -18.506 -3.577 -5.029 1.00 32.10 H new ATOM 0 HG11 VAL A 15 -20.463 -2.153 -4.585 1.00 51.22 H new ATOM 0 HG12 VAL A 15 -20.900 -3.604 -5.519 1.00 51.22 H new ATOM 0 HG13 VAL A 15 -21.271 -3.520 -3.781 1.00 51.22 H new ATOM 0 HG21 VAL A 15 -18.590 -2.222 -2.975 1.00 62.04 H new ATOM 0 HG22 VAL A 15 -19.321 -3.592 -2.105 1.00 62.04 H new ATOM 0 HG23 VAL A 15 -17.663 -3.723 -2.738 1.00 62.04 H new ATOM 287 N ARG A 16 -18.842 -5.743 -6.535 1.00 13.52 N ATOM 288 CA ARG A 16 -19.123 -6.193 -7.893 1.00 32.14 C ATOM 289 C ARG A 16 -19.564 -7.654 -7.900 1.00 42.04 C ATOM 290 O ARG A 16 -20.672 -7.976 -8.329 1.00 61.24 O ATOM 291 CB ARG A 16 -17.887 -6.017 -8.777 1.00 33.41 C ATOM 292 CG ARG A 16 -17.688 -4.593 -9.269 1.00 20.21 C ATOM 293 CD ARG A 16 -18.099 -4.444 -10.725 1.00 75.23 C ATOM 294 NE ARG A 16 -17.577 -3.216 -11.319 1.00 31.42 N ATOM 295 CZ ARG A 16 -18.011 -2.714 -12.469 1.00 41.15 C ATOM 296 NH1 ARG A 16 -18.970 -3.331 -13.147 1.00 5.35 N ATOM 297 NH2 ARG A 16 -17.486 -1.592 -12.945 1.00 2.12 N ATOM 0 H ARG A 16 -17.930 -5.303 -6.417 1.00 13.52 H new ATOM 0 HA ARG A 16 -19.935 -5.584 -8.291 1.00 32.14 H new ATOM 0 HB2 ARG A 16 -17.004 -6.326 -8.218 1.00 33.41 H new ATOM 0 HB3 ARG A 16 -17.968 -6.682 -9.637 1.00 33.41 H new ATOM 0 HG2 ARG A 16 -18.272 -3.909 -8.653 1.00 20.21 H new ATOM 0 HG3 ARG A 16 -16.642 -4.310 -9.154 1.00 20.21 H new ATOM 0 HD2 ARG A 16 -17.740 -5.302 -11.293 1.00 75.23 H new ATOM 0 HD3 ARG A 16 -19.187 -4.447 -10.797 1.00 75.23 H new ATOM 0 HE ARG A 16 -16.839 -2.717 -10.823 1.00 31.42 H new ATOM 0 HH11 ARG A 16 -19.376 -4.194 -12.785 1.00 5.35 H new ATOM 0 HH12 ARG A 16 -19.301 -2.943 -14.030 1.00 5.35 H new ATOM 0 HH21 ARG A 16 -16.748 -1.114 -12.427 1.00 2.12 H new ATOM 0 HH22 ARG A 16 -17.820 -1.207 -13.829 1.00 2.12 H new ATOM 311 N ASP A 17 -18.689 -8.533 -7.424 1.00 11.21 N ATOM 312 CA ASP A 17 -18.988 -9.959 -7.375 1.00 63.44 C ATOM 313 C ASP A 17 -20.322 -10.212 -6.680 1.00 40.04 C ATOM 314 O ASP A 17 -21.113 -11.047 -7.117 1.00 42.14 O ATOM 315 CB ASP A 17 -17.871 -10.712 -6.650 1.00 45.45 C ATOM 316 CG ASP A 17 -18.179 -12.187 -6.484 1.00 41.34 C ATOM 317 OD1 ASP A 17 -18.803 -12.552 -5.466 1.00 4.24 O ATOM 318 OD2 ASP A 17 -17.797 -12.976 -7.373 1.00 53.15 O ATOM 0 H ASP A 17 -17.767 -8.283 -7.067 1.00 11.21 H new ATOM 0 HA ASP A 17 -19.057 -10.325 -8.399 1.00 63.44 H new ATOM 0 HB2 ASP A 17 -16.940 -10.599 -7.206 1.00 45.45 H new ATOM 0 HB3 ASP A 17 -17.713 -10.264 -5.669 1.00 45.45 H new ATOM 323 N GLY A 18 -20.565 -9.485 -5.594 1.00 41.41 N ATOM 324 CA GLY A 18 -21.804 -9.646 -4.855 1.00 43.54 C ATOM 325 C GLY A 18 -23.017 -9.224 -5.660 1.00 13.12 C ATOM 326 O GLY A 18 -24.041 -9.909 -5.656 1.00 42.42 O ATOM 0 H GLY A 18 -19.926 -8.787 -5.213 1.00 41.41 H new ATOM 0 HA2 GLY A 18 -21.914 -10.689 -4.558 1.00 43.54 H new ATOM 0 HA3 GLY A 18 -21.757 -9.057 -3.939 1.00 43.54 H new ATOM 330 N ILE A 19 -22.905 -8.094 -6.349 1.00 44.24 N ATOM 331 CA ILE A 19 -24.002 -7.582 -7.161 1.00 61.21 C ATOM 332 C ILE A 19 -24.227 -8.453 -8.393 1.00 12.05 C ATOM 333 O ILE A 19 -25.362 -8.646 -8.829 1.00 53.13 O ATOM 334 CB ILE A 19 -23.740 -6.133 -7.612 1.00 14.10 C ATOM 335 CG1 ILE A 19 -23.561 -5.222 -6.396 1.00 11.11 C ATOM 336 CG2 ILE A 19 -24.881 -5.637 -8.489 1.00 23.04 C ATOM 337 CD1 ILE A 19 -22.814 -3.943 -6.704 1.00 13.02 C ATOM 0 H ILE A 19 -22.065 -7.515 -6.361 1.00 44.24 H new ATOM 0 HA ILE A 19 -24.894 -7.604 -6.535 1.00 61.21 H new ATOM 0 HB ILE A 19 -22.821 -6.111 -8.198 1.00 14.10 H new ATOM 0 HG12 ILE A 19 -24.542 -4.972 -5.992 1.00 11.11 H new ATOM 0 HG13 ILE A 19 -23.026 -5.768 -5.619 1.00 11.11 H new ATOM 0 HG21 ILE A 19 -24.682 -4.611 -8.800 1.00 23.04 H new ATOM 0 HG22 ILE A 19 -24.966 -6.273 -9.370 1.00 23.04 H new ATOM 0 HG23 ILE A 19 -25.814 -5.671 -7.926 1.00 23.04 H new ATOM 0 HD11 ILE A 19 -22.724 -3.346 -5.796 1.00 13.02 H new ATOM 0 HD12 ILE A 19 -21.820 -4.184 -7.080 1.00 13.02 H new ATOM 0 HD13 ILE A 19 -23.359 -3.376 -7.458 1.00 13.02 H new ATOM 349 N ILE A 20 -23.139 -8.978 -8.946 1.00 54.45 N ATOM 350 CA ILE A 20 -23.219 -9.831 -10.126 1.00 1.53 C ATOM 351 C ILE A 20 -23.748 -11.215 -9.768 1.00 24.41 C ATOM 352 O ILE A 20 -24.599 -11.766 -10.465 1.00 75.54 O ATOM 353 CB ILE A 20 -21.846 -9.978 -10.807 1.00 43.04 C ATOM 354 CG1 ILE A 20 -21.314 -8.608 -11.235 1.00 33.25 C ATOM 355 CG2 ILE A 20 -21.947 -10.910 -12.006 1.00 24.14 C ATOM 356 CD1 ILE A 20 -19.819 -8.458 -11.059 1.00 34.45 C ATOM 0 H ILE A 20 -22.193 -8.828 -8.597 1.00 54.45 H new ATOM 0 HA ILE A 20 -23.909 -9.349 -10.819 1.00 1.53 H new ATOM 0 HB ILE A 20 -21.147 -10.411 -10.091 1.00 43.04 H new ATOM 0 HG12 ILE A 20 -21.567 -8.440 -12.282 1.00 33.25 H new ATOM 0 HG13 ILE A 20 -21.819 -7.834 -10.657 1.00 33.25 H new ATOM 0 HG21 ILE A 20 -20.969 -11.004 -12.477 1.00 24.14 H new ATOM 0 HG22 ILE A 20 -22.287 -11.892 -11.676 1.00 24.14 H new ATOM 0 HG23 ILE A 20 -22.658 -10.503 -12.725 1.00 24.14 H new ATOM 0 HD11 ILE A 20 -19.513 -7.463 -11.382 1.00 34.45 H new ATOM 0 HD12 ILE A 20 -19.561 -8.594 -10.009 1.00 34.45 H new ATOM 0 HD13 ILE A 20 -19.305 -9.209 -11.659 1.00 34.45 H new ATOM 368 N LYS A 21 -23.238 -11.773 -8.675 1.00 0.12 N ATOM 369 CA LYS A 21 -23.660 -13.093 -8.221 1.00 10.44 C ATOM 370 C LYS A 21 -25.132 -13.085 -7.821 1.00 31.40 C ATOM 371 O LYS A 21 -25.983 -13.607 -8.541 1.00 42.11 O ATOM 372 CB LYS A 21 -22.802 -13.546 -7.037 1.00 43.05 C ATOM 373 CG LYS A 21 -23.190 -14.909 -6.491 1.00 60.03 C ATOM 374 CD LYS A 21 -21.990 -15.641 -5.914 1.00 11.10 C ATOM 375 CE LYS A 21 -22.369 -17.027 -5.416 1.00 73.33 C ATOM 376 NZ LYS A 21 -21.169 -17.848 -5.094 1.00 35.22 N ATOM 0 H LYS A 21 -22.531 -11.331 -8.087 1.00 0.12 H new ATOM 0 HA LYS A 21 -23.529 -13.793 -9.046 1.00 10.44 H new ATOM 0 HB2 LYS A 21 -21.757 -13.572 -7.345 1.00 43.05 H new ATOM 0 HB3 LYS A 21 -22.881 -12.808 -6.239 1.00 43.05 H new ATOM 0 HG2 LYS A 21 -23.950 -14.790 -5.719 1.00 60.03 H new ATOM 0 HG3 LYS A 21 -23.634 -15.507 -7.286 1.00 60.03 H new ATOM 0 HD2 LYS A 21 -21.214 -15.726 -6.675 1.00 11.10 H new ATOM 0 HD3 LYS A 21 -21.569 -15.061 -5.093 1.00 11.10 H new ATOM 0 HE2 LYS A 21 -22.995 -16.935 -4.528 1.00 73.33 H new ATOM 0 HE3 LYS A 21 -22.964 -17.535 -6.175 1.00 73.33 H new ATOM 0 HZ1 LYS A 21 -21.470 -18.785 -4.758 1.00 35.22 H new ATOM 0 HZ2 LYS A 21 -20.584 -17.957 -5.947 1.00 35.22 H new ATOM 0 HZ3 LYS A 21 -20.614 -17.376 -4.352 1.00 35.22 H new ATOM 421 N ALA A 25 -27.628 -9.095 -1.835 1.00 75.11 N ATOM 422 CA ALA A 25 -26.656 -9.433 -0.803 1.00 35.31 C ATOM 423 C ALA A 25 -25.872 -8.202 -0.363 1.00 0.11 C ATOM 424 O ALA A 25 -25.390 -8.132 0.768 1.00 42.34 O ATOM 425 CB ALA A 25 -25.709 -10.514 -1.303 1.00 54.25 C ATOM 0 HA ALA A 25 -27.199 -9.814 0.062 1.00 35.31 H new ATOM 0 HB1 ALA A 25 -24.989 -10.756 -0.522 1.00 54.25 H new ATOM 0 HB2 ALA A 25 -26.279 -11.407 -1.560 1.00 54.25 H new ATOM 0 HB3 ALA A 25 -25.180 -10.154 -2.186 1.00 54.25 H new ATOM 431 N VAL A 26 -25.747 -7.232 -1.264 1.00 30.42 N ATOM 432 CA VAL A 26 -25.021 -6.003 -0.968 1.00 70.02 C ATOM 433 C VAL A 26 -25.518 -5.369 0.326 1.00 11.01 C ATOM 434 O VAL A 26 -24.749 -5.164 1.264 1.00 24.33 O ATOM 435 CB VAL A 26 -25.158 -4.982 -2.113 1.00 4.51 C ATOM 436 CG1 VAL A 26 -24.365 -3.721 -1.801 1.00 61.25 C ATOM 437 CG2 VAL A 26 -24.705 -5.594 -3.430 1.00 32.12 C ATOM 0 H VAL A 26 -26.139 -7.274 -2.205 1.00 30.42 H new ATOM 0 HA VAL A 26 -23.971 -6.274 -0.856 1.00 70.02 H new ATOM 0 HB VAL A 26 -26.209 -4.708 -2.209 1.00 4.51 H new ATOM 0 HG11 VAL A 26 -24.473 -3.011 -2.621 1.00 61.25 H new ATOM 0 HG12 VAL A 26 -24.741 -3.273 -0.881 1.00 61.25 H new ATOM 0 HG13 VAL A 26 -23.312 -3.975 -1.677 1.00 61.25 H new ATOM 0 HG21 VAL A 26 -24.809 -4.859 -4.228 1.00 32.12 H new ATOM 0 HG22 VAL A 26 -23.661 -5.898 -3.350 1.00 32.12 H new ATOM 0 HG23 VAL A 26 -25.320 -6.465 -3.657 1.00 32.12 H new ATOM 447 N ALA A 27 -26.810 -5.061 0.369 1.00 10.54 N ATOM 448 CA ALA A 27 -27.411 -4.452 1.550 1.00 40.14 C ATOM 449 C ALA A 27 -27.149 -5.293 2.795 1.00 44.54 C ATOM 450 O ALA A 27 -26.702 -4.779 3.820 1.00 1.42 O ATOM 451 CB ALA A 27 -28.907 -4.264 1.343 1.00 44.11 C ATOM 0 H ALA A 27 -27.461 -5.223 -0.400 1.00 10.54 H new ATOM 0 HA ALA A 27 -26.950 -3.476 1.700 1.00 40.14 H new ATOM 0 HB1 ALA A 27 -29.343 -3.809 2.232 1.00 44.11 H new ATOM 0 HB2 ALA A 27 -29.077 -3.616 0.483 1.00 44.11 H new ATOM 0 HB3 ALA A 27 -29.374 -5.233 1.165 1.00 44.11 H new ATOM 457 N VAL A 28 -27.430 -6.588 2.698 1.00 22.23 N ATOM 458 CA VAL A 28 -27.224 -7.500 3.817 1.00 63.31 C ATOM 459 C VAL A 28 -25.779 -7.458 4.301 1.00 22.33 C ATOM 460 O VAL A 28 -25.503 -7.059 5.433 1.00 73.41 O ATOM 461 CB VAL A 28 -27.583 -8.948 3.434 1.00 34.20 C ATOM 462 CG1 VAL A 28 -27.370 -9.882 4.616 1.00 50.13 C ATOM 463 CG2 VAL A 28 -29.018 -9.026 2.935 1.00 72.13 C ATOM 0 H VAL A 28 -27.801 -7.029 1.857 1.00 22.23 H new ATOM 0 HA VAL A 28 -27.883 -7.170 4.620 1.00 63.31 H new ATOM 0 HB VAL A 28 -26.923 -9.266 2.627 1.00 34.20 H new ATOM 0 HG11 VAL A 28 -27.629 -10.900 4.326 1.00 50.13 H new ATOM 0 HG12 VAL A 28 -26.325 -9.847 4.924 1.00 50.13 H new ATOM 0 HG13 VAL A 28 -28.003 -9.569 5.446 1.00 50.13 H new ATOM 0 HG21 VAL A 28 -29.255 -10.056 2.669 1.00 72.13 H new ATOM 0 HG22 VAL A 28 -29.695 -8.689 3.720 1.00 72.13 H new ATOM 0 HG23 VAL A 28 -29.133 -8.389 2.058 1.00 72.13 H new ATOM 473 N VAL A 29 -24.858 -7.872 3.436 1.00 32.45 N ATOM 474 CA VAL A 29 -23.440 -7.881 3.775 1.00 10.20 C ATOM 475 C VAL A 29 -22.995 -6.525 4.310 1.00 1.44 C ATOM 476 O VAL A 29 -22.396 -6.434 5.381 1.00 24.30 O ATOM 477 CB VAL A 29 -22.574 -8.248 2.555 1.00 30.45 C ATOM 478 CG1 VAL A 29 -21.098 -8.228 2.923 1.00 51.12 C ATOM 479 CG2 VAL A 29 -22.977 -9.609 2.007 1.00 24.25 C ATOM 0 H VAL A 29 -25.069 -8.205 2.495 1.00 32.45 H new ATOM 0 HA VAL A 29 -23.304 -8.637 4.549 1.00 10.20 H new ATOM 0 HB VAL A 29 -22.740 -7.504 1.776 1.00 30.45 H new ATOM 0 HG11 VAL A 29 -20.502 -8.490 2.049 1.00 51.12 H new ATOM 0 HG12 VAL A 29 -20.822 -7.231 3.265 1.00 51.12 H new ATOM 0 HG13 VAL A 29 -20.912 -8.949 3.719 1.00 51.12 H new ATOM 0 HG21 VAL A 29 -22.355 -9.853 1.145 1.00 24.25 H new ATOM 0 HG22 VAL A 29 -22.841 -10.367 2.779 1.00 24.25 H new ATOM 0 HG23 VAL A 29 -24.024 -9.584 1.704 1.00 24.25 H new ATOM 489 N GLY A 30 -23.293 -5.470 3.557 1.00 21.12 N ATOM 490 CA GLY A 30 -22.916 -4.132 3.973 1.00 53.54 C ATOM 491 C GLY A 30 -23.450 -3.779 5.347 1.00 73.13 C ATOM 492 O GLY A 30 -22.681 -3.491 6.263 1.00 63.41 O ATOM 0 H GLY A 30 -23.789 -5.518 2.667 1.00 21.12 H new ATOM 0 HA2 GLY A 30 -21.829 -4.049 3.977 1.00 53.54 H new ATOM 0 HA3 GLY A 30 -23.288 -3.410 3.246 1.00 53.54 H new ATOM 496 N GLN A 31 -24.772 -3.800 5.490 1.00 45.13 N ATOM 497 CA GLN A 31 -25.407 -3.477 6.762 1.00 61.42 C ATOM 498 C GLN A 31 -24.816 -4.312 7.893 1.00 64.42 C ATOM 499 O GLN A 31 -24.334 -3.774 8.889 1.00 15.40 O ATOM 500 CB GLN A 31 -26.916 -3.710 6.676 1.00 73.14 C ATOM 501 CG GLN A 31 -27.656 -2.626 5.909 1.00 72.15 C ATOM 502 CD GLN A 31 -28.738 -1.960 6.736 1.00 21.41 C ATOM 503 OE1 GLN A 31 -29.419 -2.612 7.529 1.00 62.15 O ATOM 504 NE2 GLN A 31 -28.902 -0.655 6.556 1.00 10.05 N ATOM 0 H GLN A 31 -25.423 -4.037 4.741 1.00 45.13 H new ATOM 0 HA GLN A 31 -25.220 -2.425 6.976 1.00 61.42 H new ATOM 0 HB2 GLN A 31 -27.100 -4.672 6.198 1.00 73.14 H new ATOM 0 HB3 GLN A 31 -27.324 -3.772 7.685 1.00 73.14 H new ATOM 0 HG2 GLN A 31 -26.943 -1.872 5.575 1.00 72.15 H new ATOM 0 HG3 GLN A 31 -28.103 -3.060 5.015 1.00 72.15 H new ATOM 0 HE21 GLN A 31 -28.315 -0.155 5.888 1.00 10.05 H new ATOM 0 HE22 GLN A 31 -29.615 -0.153 7.085 1.00 10.05 H new ATOM 513 N ALA A 32 -24.856 -5.631 7.731 1.00 25.04 N ATOM 514 CA ALA A 32 -24.322 -6.540 8.738 1.00 31.31 C ATOM 515 C ALA A 32 -22.879 -6.190 9.085 1.00 51.11 C ATOM 516 O ALA A 32 -22.559 -5.909 10.239 1.00 20.14 O ATOM 517 CB ALA A 32 -24.416 -7.979 8.252 1.00 22.13 C ATOM 0 H ALA A 32 -25.252 -6.093 6.913 1.00 25.04 H new ATOM 0 HA ALA A 32 -24.921 -6.433 9.642 1.00 31.31 H new ATOM 0 HB1 ALA A 32 -24.014 -8.647 9.013 1.00 22.13 H new ATOM 0 HB2 ALA A 32 -25.459 -8.231 8.062 1.00 22.13 H new ATOM 0 HB3 ALA A 32 -23.842 -8.090 7.332 1.00 22.13 H new ATOM 523 N ALA A 33 -22.012 -6.209 8.078 1.00 70.31 N ATOM 524 CA ALA A 33 -20.603 -5.892 8.277 1.00 72.33 C ATOM 525 C ALA A 33 -20.437 -4.555 8.990 1.00 2.11 C ATOM 526 O ALA A 33 -19.617 -4.422 9.900 1.00 55.21 O ATOM 527 CB ALA A 33 -19.873 -5.875 6.942 1.00 23.32 C ATOM 0 H ALA A 33 -22.261 -6.441 7.116 1.00 70.31 H new ATOM 0 HA ALA A 33 -20.167 -6.667 8.908 1.00 72.33 H new ATOM 0 HB1 ALA A 33 -18.822 -5.637 7.105 1.00 23.32 H new ATOM 0 HB2 ALA A 33 -19.954 -6.854 6.470 1.00 23.32 H new ATOM 0 HB3 ALA A 33 -20.319 -5.121 6.293 1.00 23.32 H new ATOM 533 N THR A 34 -21.219 -3.565 8.571 1.00 2.44 N ATOM 534 CA THR A 34 -21.157 -2.237 9.169 1.00 43.21 C ATOM 535 C THR A 34 -21.588 -2.271 10.631 1.00 51.14 C ATOM 536 O THR A 34 -20.962 -1.648 11.488 1.00 42.20 O ATOM 537 CB THR A 34 -22.045 -1.235 8.407 1.00 61.54 C ATOM 538 OG1 THR A 34 -21.611 -1.133 7.046 1.00 43.31 O ATOM 539 CG2 THR A 34 -22.001 0.136 9.063 1.00 2.02 C ATOM 0 H THR A 34 -21.903 -3.658 7.820 1.00 2.44 H new ATOM 0 HA THR A 34 -20.119 -1.911 9.107 1.00 43.21 H new ATOM 0 HB THR A 34 -23.072 -1.600 8.434 1.00 61.54 H new ATOM 0 HG1 THR A 34 -21.790 -1.977 6.581 1.00 43.31 H new ATOM 0 HG21 THR A 34 -22.636 0.826 8.507 1.00 2.02 H new ATOM 0 HG22 THR A 34 -22.360 0.060 10.089 1.00 2.02 H new ATOM 0 HG23 THR A 34 -20.976 0.506 9.064 1.00 2.02 H new ATOM 547 N VAL A 35 -22.662 -3.003 10.909 1.00 61.30 N ATOM 548 CA VAL A 35 -23.176 -3.120 12.268 1.00 32.23 C ATOM 549 C VAL A 35 -22.208 -3.892 13.158 1.00 43.52 C ATOM 550 O VAL A 35 -22.033 -3.566 14.332 1.00 4.11 O ATOM 551 CB VAL A 35 -24.547 -3.822 12.291 1.00 11.13 C ATOM 552 CG1 VAL A 35 -25.053 -3.959 13.719 1.00 13.41 C ATOM 553 CG2 VAL A 35 -25.548 -3.064 11.432 1.00 2.44 C ATOM 0 H VAL A 35 -23.193 -3.524 10.211 1.00 61.30 H new ATOM 0 HA VAL A 35 -23.288 -2.106 12.652 1.00 32.23 H new ATOM 0 HB VAL A 35 -24.430 -4.823 11.875 1.00 11.13 H new ATOM 0 HG11 VAL A 35 -26.023 -4.457 13.715 1.00 13.41 H new ATOM 0 HG12 VAL A 35 -24.344 -4.548 14.301 1.00 13.41 H new ATOM 0 HG13 VAL A 35 -25.155 -2.970 14.165 1.00 13.41 H new ATOM 0 HG21 VAL A 35 -26.511 -3.574 11.460 1.00 2.44 H new ATOM 0 HG22 VAL A 35 -25.663 -2.050 11.816 1.00 2.44 H new ATOM 0 HG23 VAL A 35 -25.188 -3.024 10.404 1.00 2.44 H new ATOM 563 N VAL A 36 -21.580 -4.916 12.590 1.00 25.32 N ATOM 564 CA VAL A 36 -20.627 -5.734 13.331 1.00 24.11 C ATOM 565 C VAL A 36 -19.319 -4.985 13.558 1.00 45.55 C ATOM 566 O VAL A 36 -18.889 -4.791 14.695 1.00 33.53 O ATOM 567 CB VAL A 36 -20.328 -7.054 12.595 1.00 14.11 C ATOM 568 CG1 VAL A 36 -19.315 -7.881 13.371 1.00 3.11 C ATOM 569 CG2 VAL A 36 -21.611 -7.840 12.372 1.00 72.44 C ATOM 0 H VAL A 36 -21.714 -5.199 11.619 1.00 25.32 H new ATOM 0 HA VAL A 36 -21.086 -5.959 14.294 1.00 24.11 H new ATOM 0 HB VAL A 36 -19.898 -6.818 11.621 1.00 14.11 H new ATOM 0 HG11 VAL A 36 -19.117 -8.809 12.836 1.00 3.11 H new ATOM 0 HG12 VAL A 36 -18.388 -7.317 13.475 1.00 3.11 H new ATOM 0 HG13 VAL A 36 -19.713 -8.110 14.359 1.00 3.11 H new ATOM 0 HG21 VAL A 36 -21.382 -8.770 11.851 1.00 72.44 H new ATOM 0 HG22 VAL A 36 -22.071 -8.067 13.334 1.00 72.44 H new ATOM 0 HG23 VAL A 36 -22.301 -7.248 11.771 1.00 72.44 H new ATOM 579 N LYS A 37 -18.688 -4.563 12.467 1.00 51.05 N ATOM 580 CA LYS A 37 -17.429 -3.832 12.544 1.00 21.12 C ATOM 581 C LYS A 37 -17.566 -2.606 13.441 1.00 41.32 C ATOM 582 O LYS A 37 -16.593 -2.155 14.046 1.00 21.30 O ATOM 583 CB LYS A 37 -16.975 -3.407 11.146 1.00 54.41 C ATOM 584 CG LYS A 37 -17.792 -2.267 10.562 1.00 75.11 C ATOM 585 CD LYS A 37 -17.167 -0.917 10.871 1.00 71.13 C ATOM 586 CE LYS A 37 -17.398 0.075 9.741 1.00 3.34 C ATOM 587 NZ LYS A 37 -16.116 0.550 9.150 1.00 12.42 N ATOM 0 H LYS A 37 -19.029 -4.715 11.518 1.00 51.05 H new ATOM 0 HA LYS A 37 -16.679 -4.495 12.976 1.00 21.12 H new ATOM 0 HB2 LYS A 37 -15.928 -3.108 11.188 1.00 54.41 H new ATOM 0 HB3 LYS A 37 -17.034 -4.266 10.477 1.00 54.41 H new ATOM 0 HG2 LYS A 37 -17.873 -2.393 9.482 1.00 75.11 H new ATOM 0 HG3 LYS A 37 -18.805 -2.301 10.964 1.00 75.11 H new ATOM 0 HD2 LYS A 37 -17.589 -0.522 11.795 1.00 71.13 H new ATOM 0 HD3 LYS A 37 -16.097 -1.039 11.036 1.00 71.13 H new ATOM 0 HE2 LYS A 37 -18.004 -0.393 8.965 1.00 3.34 H new ATOM 0 HE3 LYS A 37 -17.963 0.928 10.116 1.00 3.34 H new ATOM 0 HZ1 LYS A 37 -16.316 1.224 8.384 1.00 12.42 H new ATOM 0 HZ2 LYS A 37 -15.548 1.019 9.884 1.00 12.42 H new ATOM 0 HZ3 LYS A 37 -15.588 -0.261 8.769 1.00 12.42 H new