USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=1 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+ 180:sc= 0 (180deg=0) 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= -0.0448 X(o=-0.045,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.026) USER MOD Single : A 34 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 1.473 -4.236 -1.944 1.00 72.44 N ATOM 50 CA LYS A 3 0.691 -5.021 -0.997 1.00 34.23 C ATOM 51 C LYS A 3 -0.645 -4.346 -0.703 1.00 12.20 C ATOM 52 O LYS A 3 -1.706 -4.876 -1.036 1.00 44.23 O ATOM 53 CB LYS A 3 1.473 -5.215 0.304 1.00 32.42 C ATOM 54 CG LYS A 3 2.800 -5.930 0.115 1.00 33.11 C ATOM 55 CD LYS A 3 3.597 -5.976 1.408 1.00 44.05 C ATOM 56 CE LYS A 3 3.380 -7.285 2.151 1.00 73.02 C ATOM 57 NZ LYS A 3 4.482 -7.568 3.111 1.00 44.12 N ATOM 0 HA LYS A 3 0.495 -5.995 -1.445 1.00 34.23 H new ATOM 0 HB2 LYS A 3 1.656 -4.241 0.757 1.00 32.42 H new ATOM 0 HB3 LYS A 3 0.861 -5.782 1.005 1.00 32.42 H new ATOM 0 HG2 LYS A 3 2.620 -6.945 -0.239 1.00 33.11 H new ATOM 0 HG3 LYS A 3 3.382 -5.422 -0.654 1.00 33.11 H new ATOM 0 HD2 LYS A 3 4.657 -5.853 1.187 1.00 44.05 H new ATOM 0 HD3 LYS A 3 3.305 -5.142 2.046 1.00 44.05 H new ATOM 0 HE2 LYS A 3 2.432 -7.245 2.688 1.00 73.02 H new ATOM 0 HE3 LYS A 3 3.305 -8.102 1.433 1.00 73.02 H new ATOM 0 HZ1 LYS A 3 4.296 -8.469 3.597 1.00 44.12 H new ATOM 0 HZ2 LYS A 3 5.383 -7.632 2.596 1.00 44.12 H new ATOM 0 HZ3 LYS A 3 4.537 -6.802 3.812 1.00 44.12 H new ATOM 71 N ILE A 4 -0.586 -3.174 -0.079 1.00 71.21 N ATOM 72 CA ILE A 4 -1.791 -2.426 0.256 1.00 34.34 C ATOM 73 C ILE A 4 -2.676 -2.230 -0.970 1.00 44.34 C ATOM 74 O ILE A 4 -3.872 -2.519 -0.940 1.00 21.14 O ATOM 75 CB ILE A 4 -1.451 -1.049 0.856 1.00 62.12 C ATOM 76 CG1 ILE A 4 -0.532 -1.210 2.069 1.00 53.31 C ATOM 77 CG2 ILE A 4 -2.723 -0.310 1.242 1.00 34.32 C ATOM 78 CD1 ILE A 4 -1.118 -2.079 3.160 1.00 52.44 C ATOM 0 H ILE A 4 0.283 -2.722 0.205 1.00 71.21 H new ATOM 0 HA ILE A 4 -2.330 -3.014 0.999 1.00 34.34 H new ATOM 0 HB ILE A 4 -0.927 -0.460 0.103 1.00 62.12 H new ATOM 0 HG12 ILE A 4 0.415 -1.640 1.743 1.00 53.31 H new ATOM 0 HG13 ILE A 4 -0.310 -0.225 2.480 1.00 53.31 H new ATOM 0 HG21 ILE A 4 -2.466 0.661 1.664 1.00 34.32 H new ATOM 0 HG22 ILE A 4 -3.344 -0.168 0.357 1.00 34.32 H new ATOM 0 HG23 ILE A 4 -3.272 -0.893 1.981 1.00 34.32 H new ATOM 0 HD11 ILE A 4 -0.412 -2.149 3.988 1.00 52.44 H new ATOM 0 HD12 ILE A 4 -2.050 -1.639 3.514 1.00 52.44 H new ATOM 0 HD13 ILE A 4 -1.314 -3.076 2.765 1.00 52.44 H new ATOM 90 N PHE A 5 -2.078 -1.737 -2.051 1.00 35.14 N ATOM 91 CA PHE A 5 -2.811 -1.502 -3.289 1.00 73.52 C ATOM 92 C PHE A 5 -3.564 -2.757 -3.722 1.00 31.21 C ATOM 93 O PHE A 5 -4.794 -2.773 -3.767 1.00 34.03 O ATOM 94 CB PHE A 5 -1.853 -1.061 -4.398 1.00 33.13 C ATOM 95 CG PHE A 5 -1.632 0.424 -4.443 1.00 32.21 C ATOM 96 CD1 PHE A 5 -0.650 1.015 -3.665 1.00 45.13 C ATOM 97 CD2 PHE A 5 -2.407 1.228 -5.263 1.00 44.31 C ATOM 98 CE1 PHE A 5 -0.445 2.381 -3.705 1.00 4.35 C ATOM 99 CE2 PHE A 5 -2.206 2.595 -5.307 1.00 0.22 C ATOM 100 CZ PHE A 5 -1.223 3.172 -4.527 1.00 41.21 C ATOM 0 H PHE A 5 -1.089 -1.493 -2.094 1.00 35.14 H new ATOM 0 HA PHE A 5 -3.536 -0.709 -3.107 1.00 73.52 H new ATOM 0 HB2 PHE A 5 -0.894 -1.559 -4.258 1.00 33.13 H new ATOM 0 HB3 PHE A 5 -2.246 -1.391 -5.360 1.00 33.13 H new ATOM 0 HD1 PHE A 5 -0.038 0.402 -3.020 1.00 45.13 H new ATOM 0 HD2 PHE A 5 -3.177 0.782 -5.875 1.00 44.31 H new ATOM 0 HE1 PHE A 5 0.324 2.830 -3.093 1.00 4.35 H new ATOM 0 HE2 PHE A 5 -2.817 3.211 -5.950 1.00 0.22 H new ATOM 0 HZ PHE A 5 -1.063 4.240 -4.560 1.00 41.21 H new ATOM 110 N LYS A 6 -2.816 -3.808 -4.040 1.00 72.24 N ATOM 111 CA LYS A 6 -3.410 -5.069 -4.469 1.00 52.12 C ATOM 112 C LYS A 6 -4.451 -5.550 -3.463 1.00 62.01 C ATOM 113 O LYS A 6 -5.527 -6.013 -3.841 1.00 32.31 O ATOM 114 CB LYS A 6 -2.325 -6.134 -4.645 1.00 52.34 C ATOM 115 CG LYS A 6 -2.857 -7.468 -5.139 1.00 50.04 C ATOM 116 CD LYS A 6 -1.728 -8.414 -5.514 1.00 34.14 C ATOM 117 CE LYS A 6 -1.200 -9.160 -4.298 1.00 1.42 C ATOM 118 NZ LYS A 6 0.226 -9.553 -4.465 1.00 64.55 N ATOM 0 H LYS A 6 -1.796 -3.812 -4.009 1.00 72.24 H new ATOM 0 HA LYS A 6 -3.905 -4.902 -5.426 1.00 52.12 H new ATOM 0 HB2 LYS A 6 -1.578 -5.767 -5.349 1.00 52.34 H new ATOM 0 HB3 LYS A 6 -1.818 -6.285 -3.692 1.00 52.34 H new ATOM 0 HG2 LYS A 6 -3.473 -7.924 -4.364 1.00 50.04 H new ATOM 0 HG3 LYS A 6 -3.500 -7.307 -6.004 1.00 50.04 H new ATOM 0 HD2 LYS A 6 -2.083 -9.130 -6.256 1.00 34.14 H new ATOM 0 HD3 LYS A 6 -0.918 -7.850 -5.977 1.00 34.14 H new ATOM 0 HE2 LYS A 6 -1.302 -8.531 -3.414 1.00 1.42 H new ATOM 0 HE3 LYS A 6 -1.805 -10.051 -4.128 1.00 1.42 H new ATOM 0 HZ1 LYS A 6 0.548 -10.059 -3.615 1.00 64.55 H new ATOM 0 HZ2 LYS A 6 0.320 -10.174 -5.294 1.00 64.55 H new ATOM 0 HZ3 LYS A 6 0.807 -8.701 -4.602 1.00 64.55 H new ATOM 132 N LYS A 7 -4.124 -5.436 -2.180 1.00 61.03 N ATOM 133 CA LYS A 7 -5.031 -5.856 -1.119 1.00 22.52 C ATOM 134 C LYS A 7 -6.349 -5.092 -1.195 1.00 23.33 C ATOM 135 O LYS A 7 -7.395 -5.669 -1.494 1.00 22.04 O ATOM 136 CB LYS A 7 -4.382 -5.640 0.250 1.00 23.11 C ATOM 137 CG LYS A 7 -3.528 -6.809 0.710 1.00 62.11 C ATOM 138 CD LYS A 7 -2.940 -6.562 2.089 1.00 45.52 C ATOM 139 CE LYS A 7 -3.765 -7.233 3.176 1.00 41.13 C ATOM 140 NZ LYS A 7 -2.966 -7.475 4.409 1.00 13.41 N ATOM 0 H LYS A 7 -3.237 -5.056 -1.850 1.00 61.03 H new ATOM 0 HA LYS A 7 -5.239 -6.918 -1.252 1.00 22.52 H new ATOM 0 HB2 LYS A 7 -3.765 -4.743 0.212 1.00 23.11 H new ATOM 0 HB3 LYS A 7 -5.163 -5.459 0.988 1.00 23.11 H new ATOM 0 HG2 LYS A 7 -4.131 -7.717 0.728 1.00 62.11 H new ATOM 0 HG3 LYS A 7 -2.723 -6.976 -0.005 1.00 62.11 H new ATOM 0 HD2 LYS A 7 -1.918 -6.939 2.122 1.00 45.52 H new ATOM 0 HD3 LYS A 7 -2.891 -5.490 2.278 1.00 45.52 H new ATOM 0 HE2 LYS A 7 -4.625 -6.608 3.417 1.00 41.13 H new ATOM 0 HE3 LYS A 7 -4.154 -8.181 2.804 1.00 41.13 H new ATOM 0 HZ1 LYS A 7 -3.564 -7.934 5.126 1.00 13.41 H new ATOM 0 HZ2 LYS A 7 -2.160 -8.092 4.185 1.00 13.41 H new ATOM 0 HZ3 LYS A 7 -2.616 -6.568 4.779 1.00 13.41 H new ATOM 154 N ILE A 8 -6.290 -3.793 -0.924 1.00 13.21 N ATOM 155 CA ILE A 8 -7.479 -2.950 -0.964 1.00 71.35 C ATOM 156 C ILE A 8 -8.223 -3.112 -2.286 1.00 21.43 C ATOM 157 O ILE A 8 -9.451 -3.175 -2.313 1.00 75.04 O ATOM 158 CB ILE A 8 -7.123 -1.465 -0.767 1.00 54.14 C ATOM 159 CG1 ILE A 8 -6.403 -1.263 0.567 1.00 33.14 C ATOM 160 CG2 ILE A 8 -8.378 -0.607 -0.834 1.00 2.42 C ATOM 161 CD1 ILE A 8 -7.209 -1.719 1.764 1.00 52.43 C ATOM 0 H ILE A 8 -5.432 -3.301 -0.674 1.00 13.21 H new ATOM 0 HA ILE A 8 -8.122 -3.272 -0.145 1.00 71.35 H new ATOM 0 HB ILE A 8 -6.453 -1.157 -1.569 1.00 54.14 H new ATOM 0 HG12 ILE A 8 -5.458 -1.807 0.547 1.00 33.14 H new ATOM 0 HG13 ILE A 8 -6.160 -0.207 0.683 1.00 33.14 H new ATOM 0 HG21 ILE A 8 -8.111 0.440 -0.693 1.00 2.42 H new ATOM 0 HG22 ILE A 8 -8.853 -0.732 -1.807 1.00 2.42 H new ATOM 0 HG23 ILE A 8 -9.070 -0.913 -0.050 1.00 2.42 H new ATOM 0 HD11 ILE A 8 -6.637 -1.546 2.675 1.00 52.43 H new ATOM 0 HD12 ILE A 8 -8.142 -1.158 1.809 1.00 52.43 H new ATOM 0 HD13 ILE A 8 -7.429 -2.782 1.671 1.00 52.43 H new ATOM 173 N GLU A 9 -7.469 -3.181 -3.378 1.00 70.55 N ATOM 174 CA GLU A 9 -8.058 -3.338 -4.703 1.00 41.43 C ATOM 175 C GLU A 9 -8.829 -4.651 -4.805 1.00 3.32 C ATOM 176 O GLU A 9 -9.974 -4.679 -5.256 1.00 42.32 O ATOM 177 CB GLU A 9 -6.970 -3.288 -5.778 1.00 51.33 C ATOM 178 CG GLU A 9 -6.475 -1.883 -6.078 1.00 41.14 C ATOM 179 CD GLU A 9 -7.396 -1.128 -7.017 1.00 1.31 C ATOM 180 OE1 GLU A 9 -8.021 -1.774 -7.884 1.00 24.04 O ATOM 181 OE2 GLU A 9 -7.492 0.110 -6.884 1.00 1.52 O ATOM 0 H GLU A 9 -6.450 -3.131 -3.372 1.00 70.55 H new ATOM 0 HA GLU A 9 -8.755 -2.515 -4.862 1.00 41.43 H new ATOM 0 HB2 GLU A 9 -6.127 -3.901 -5.459 1.00 51.33 H new ATOM 0 HB3 GLU A 9 -7.357 -3.732 -6.695 1.00 51.33 H new ATOM 0 HG2 GLU A 9 -6.380 -1.328 -5.145 1.00 41.14 H new ATOM 0 HG3 GLU A 9 -5.480 -1.939 -6.518 1.00 41.14 H new ATOM 188 N LYS A 10 -8.192 -5.738 -4.382 1.00 52.31 N ATOM 189 CA LYS A 10 -8.816 -7.055 -4.424 1.00 1.14 C ATOM 190 C LYS A 10 -10.003 -7.125 -3.469 1.00 34.01 C ATOM 191 O LYS A 10 -11.132 -7.389 -3.884 1.00 61.20 O ATOM 192 CB LYS A 10 -7.795 -8.137 -4.065 1.00 1.02 C ATOM 193 CG LYS A 10 -6.815 -8.443 -5.184 1.00 24.32 C ATOM 194 CD LYS A 10 -7.050 -9.826 -5.768 1.00 62.12 C ATOM 195 CE LYS A 10 -6.223 -10.048 -7.025 1.00 63.02 C ATOM 196 NZ LYS A 10 -7.066 -10.474 -8.176 1.00 72.50 N ATOM 0 H LYS A 10 -7.244 -5.733 -4.006 1.00 52.31 H new ATOM 0 HA LYS A 10 -9.177 -7.226 -5.438 1.00 1.14 H new ATOM 0 HB2 LYS A 10 -7.239 -7.821 -3.182 1.00 1.02 H new ATOM 0 HB3 LYS A 10 -8.325 -9.051 -3.798 1.00 1.02 H new ATOM 0 HG2 LYS A 10 -6.913 -7.694 -5.970 1.00 24.32 H new ATOM 0 HG3 LYS A 10 -5.795 -8.376 -4.805 1.00 24.32 H new ATOM 0 HD2 LYS A 10 -6.797 -10.583 -5.026 1.00 62.12 H new ATOM 0 HD3 LYS A 10 -8.108 -9.949 -6.001 1.00 62.12 H new ATOM 0 HE2 LYS A 10 -5.697 -9.128 -7.281 1.00 63.02 H new ATOM 0 HE3 LYS A 10 -5.464 -10.806 -6.831 1.00 63.02 H new ATOM 0 HZ1 LYS A 10 -6.465 -10.615 -9.013 1.00 72.50 H new ATOM 0 HZ2 LYS A 10 -7.548 -11.365 -7.942 1.00 72.50 H new ATOM 0 HZ3 LYS A 10 -7.774 -9.740 -8.378 1.00 72.50 H new ATOM 210 N VAL A 11 -9.742 -6.885 -2.188 1.00 30.32 N ATOM 211 CA VAL A 11 -10.790 -6.919 -1.174 1.00 42.34 C ATOM 212 C VAL A 11 -11.945 -5.996 -1.547 1.00 44.05 C ATOM 213 O VAL A 11 -13.102 -6.275 -1.237 1.00 23.54 O ATOM 214 CB VAL A 11 -10.247 -6.510 0.208 1.00 61.51 C ATOM 215 CG1 VAL A 11 -11.357 -6.537 1.247 1.00 14.10 C ATOM 216 CG2 VAL A 11 -9.099 -7.420 0.619 1.00 71.30 C ATOM 0 H VAL A 11 -8.814 -6.665 -1.827 1.00 30.32 H new ATOM 0 HA VAL A 11 -11.150 -7.947 -1.125 1.00 42.34 H new ATOM 0 HB VAL A 11 -9.868 -5.490 0.143 1.00 61.51 H new ATOM 0 HG11 VAL A 11 -10.955 -6.245 2.217 1.00 14.10 H new ATOM 0 HG12 VAL A 11 -12.144 -5.841 0.957 1.00 14.10 H new ATOM 0 HG13 VAL A 11 -11.769 -7.544 1.313 1.00 14.10 H new ATOM 0 HG21 VAL A 11 -8.727 -7.117 1.598 1.00 71.30 H new ATOM 0 HG22 VAL A 11 -9.451 -8.450 0.668 1.00 71.30 H new ATOM 0 HG23 VAL A 11 -8.295 -7.345 -0.114 1.00 71.30 H new ATOM 226 N GLY A 12 -11.622 -4.894 -2.217 1.00 42.43 N ATOM 227 CA GLY A 12 -12.643 -3.946 -2.623 1.00 14.14 C ATOM 228 C GLY A 12 -13.581 -4.516 -3.668 1.00 35.33 C ATOM 229 O GLY A 12 -14.798 -4.351 -3.576 1.00 20.22 O ATOM 0 H GLY A 12 -10.671 -4.641 -2.486 1.00 42.43 H new ATOM 0 HA2 GLY A 12 -13.219 -3.641 -1.749 1.00 14.14 H new ATOM 0 HA3 GLY A 12 -12.165 -3.050 -3.018 1.00 14.14 H new ATOM 233 N ARG A 13 -13.015 -5.188 -4.665 1.00 55.22 N ATOM 234 CA ARG A 13 -13.810 -5.782 -5.734 1.00 4.22 C ATOM 235 C ARG A 13 -14.469 -7.076 -5.266 1.00 64.23 C ATOM 236 O ARG A 13 -15.565 -7.420 -5.706 1.00 11.22 O ATOM 237 CB ARG A 13 -12.933 -6.056 -6.957 1.00 72.23 C ATOM 238 CG ARG A 13 -13.425 -5.375 -8.224 1.00 2.21 C ATOM 239 CD ARG A 13 -13.173 -3.876 -8.184 1.00 2.44 C ATOM 240 NE ARG A 13 -12.761 -3.355 -9.484 1.00 41.24 N ATOM 241 CZ ARG A 13 -11.538 -3.504 -9.982 1.00 13.30 C ATOM 242 NH1 ARG A 13 -10.613 -4.155 -9.291 1.00 44.23 N ATOM 243 NH2 ARG A 13 -11.240 -3.001 -11.173 1.00 62.02 N ATOM 0 H ARG A 13 -12.010 -5.335 -4.755 1.00 55.22 H new ATOM 0 HA ARG A 13 -14.593 -5.075 -6.008 1.00 4.22 H new ATOM 0 HB2 ARG A 13 -11.917 -5.723 -6.747 1.00 72.23 H new ATOM 0 HB3 ARG A 13 -12.887 -7.132 -7.127 1.00 72.23 H new ATOM 0 HG2 ARG A 13 -12.922 -5.807 -9.089 1.00 2.21 H new ATOM 0 HG3 ARG A 13 -14.491 -5.563 -8.349 1.00 2.21 H new ATOM 0 HD2 ARG A 13 -14.079 -3.365 -7.859 1.00 2.44 H new ATOM 0 HD3 ARG A 13 -12.402 -3.658 -7.445 1.00 2.44 H new ATOM 0 HE ARG A 13 -13.450 -2.849 -10.041 1.00 41.24 H new ATOM 0 HH11 ARG A 13 -10.839 -4.543 -8.375 1.00 44.23 H new ATOM 0 HH12 ARG A 13 -9.675 -4.268 -9.675 1.00 44.23 H new ATOM 0 HH21 ARG A 13 -11.950 -2.500 -11.707 1.00 62.02 H new ATOM 0 HH22 ARG A 13 -10.301 -3.116 -11.555 1.00 62.02 H new ATOM 257 N ASN A 14 -13.791 -7.790 -4.373 1.00 13.11 N ATOM 258 CA ASN A 14 -14.310 -9.047 -3.847 1.00 35.15 C ATOM 259 C ASN A 14 -15.730 -8.870 -3.317 1.00 33.00 C ATOM 260 O ASN A 14 -16.690 -9.371 -3.903 1.00 31.00 O ATOM 261 CB ASN A 14 -13.401 -9.573 -2.734 1.00 50.40 C ATOM 262 CG ASN A 14 -12.398 -10.591 -3.240 1.00 60.20 C ATOM 263 OD1 ASN A 14 -12.222 -11.654 -2.644 1.00 64.13 O ATOM 264 ND2 ASN A 14 -11.735 -10.270 -4.345 1.00 2.02 N ATOM 0 H ASN A 14 -12.881 -7.520 -3.999 1.00 13.11 H new ATOM 0 HA ASN A 14 -14.332 -9.771 -4.662 1.00 35.15 H new ATOM 0 HB2 ASN A 14 -12.869 -8.738 -2.278 1.00 50.40 H new ATOM 0 HB3 ASN A 14 -14.012 -10.026 -1.953 1.00 50.40 H new ATOM 0 HD21 ASN A 14 -11.047 -10.916 -4.733 1.00 2.02 H new ATOM 0 HD22 ASN A 14 -11.913 -9.378 -4.806 1.00 2.02 H new ATOM 271 N VAL A 15 -15.856 -8.153 -2.205 1.00 31.24 N ATOM 272 CA VAL A 15 -17.158 -7.908 -1.596 1.00 53.03 C ATOM 273 C VAL A 15 -18.147 -7.357 -2.618 1.00 2.45 C ATOM 274 O VAL A 15 -19.316 -7.743 -2.637 1.00 4.14 O ATOM 275 CB VAL A 15 -17.051 -6.922 -0.418 1.00 44.10 C ATOM 276 CG1 VAL A 15 -16.346 -7.574 0.762 1.00 71.22 C ATOM 277 CG2 VAL A 15 -16.326 -5.655 -0.848 1.00 71.33 C ATOM 0 H VAL A 15 -15.072 -7.731 -1.707 1.00 31.24 H new ATOM 0 HA VAL A 15 -17.519 -8.867 -1.225 1.00 53.03 H new ATOM 0 HB VAL A 15 -18.058 -6.649 -0.103 1.00 44.10 H new ATOM 0 HG11 VAL A 15 -16.280 -6.862 1.585 1.00 71.22 H new ATOM 0 HG12 VAL A 15 -16.910 -8.450 1.084 1.00 71.22 H new ATOM 0 HG13 VAL A 15 -15.343 -7.878 0.464 1.00 71.22 H new ATOM 0 HG21 VAL A 15 -16.259 -4.969 -0.003 1.00 71.33 H new ATOM 0 HG22 VAL A 15 -15.322 -5.908 -1.190 1.00 71.33 H new ATOM 0 HG23 VAL A 15 -16.876 -5.179 -1.659 1.00 71.33 H new ATOM 287 N ARG A 16 -17.670 -6.452 -3.466 1.00 3.42 N ATOM 288 CA ARG A 16 -18.512 -5.846 -4.490 1.00 41.03 C ATOM 289 C ARG A 16 -19.108 -6.912 -5.405 1.00 24.43 C ATOM 290 O ARG A 16 -20.315 -7.151 -5.392 1.00 54.12 O ATOM 291 CB ARG A 16 -17.705 -4.843 -5.317 1.00 22.11 C ATOM 292 CG ARG A 16 -18.198 -3.411 -5.189 1.00 32.33 C ATOM 293 CD ARG A 16 -18.036 -2.891 -3.769 1.00 30.10 C ATOM 294 NE ARG A 16 -19.324 -2.664 -3.119 1.00 21.33 N ATOM 295 CZ ARG A 16 -19.472 -2.540 -1.804 1.00 43.15 C ATOM 296 NH1 ARG A 16 -18.417 -2.620 -1.005 1.00 11.41 N ATOM 297 NH2 ARG A 16 -20.677 -2.335 -1.288 1.00 5.14 N ATOM 0 H ARG A 16 -16.705 -6.122 -3.464 1.00 3.42 H new ATOM 0 HA ARG A 16 -19.327 -5.323 -3.991 1.00 41.03 H new ATOM 0 HB2 ARG A 16 -16.661 -4.888 -5.008 1.00 22.11 H new ATOM 0 HB3 ARG A 16 -17.740 -5.138 -6.366 1.00 22.11 H new ATOM 0 HG2 ARG A 16 -17.645 -2.772 -5.877 1.00 32.33 H new ATOM 0 HG3 ARG A 16 -19.247 -3.359 -5.479 1.00 32.33 H new ATOM 0 HD2 ARG A 16 -17.456 -3.606 -3.185 1.00 30.10 H new ATOM 0 HD3 ARG A 16 -17.470 -1.960 -3.786 1.00 30.10 H new ATOM 0 HE ARG A 16 -20.155 -2.597 -3.706 1.00 21.33 H new ATOM 0 HH11 ARG A 16 -17.489 -2.777 -1.399 1.00 11.41 H new ATOM 0 HH12 ARG A 16 -18.533 -2.525 0.004 1.00 11.41 H new ATOM 0 HH21 ARG A 16 -21.490 -2.273 -1.901 1.00 5.14 H new ATOM 0 HH22 ARG A 16 -20.790 -2.240 -0.279 1.00 5.14 H new ATOM 311 N ASP A 17 -18.253 -7.550 -6.197 1.00 4.14 N ATOM 312 CA ASP A 17 -18.694 -8.591 -7.117 1.00 62.32 C ATOM 313 C ASP A 17 -19.469 -9.677 -6.378 1.00 33.31 C ATOM 314 O ASP A 17 -20.435 -10.231 -6.902 1.00 64.12 O ATOM 315 CB ASP A 17 -17.493 -9.206 -7.839 1.00 15.11 C ATOM 316 CG ASP A 17 -16.870 -8.253 -8.840 1.00 60.40 C ATOM 317 OD1 ASP A 17 -17.627 -7.600 -9.589 1.00 23.21 O ATOM 318 OD2 ASP A 17 -15.625 -8.160 -8.874 1.00 73.42 O ATOM 0 H ASP A 17 -17.250 -7.364 -6.220 1.00 4.14 H new ATOM 0 HA ASP A 17 -19.356 -8.134 -7.853 1.00 62.32 H new ATOM 0 HB2 ASP A 17 -16.742 -9.499 -7.105 1.00 15.11 H new ATOM 0 HB3 ASP A 17 -17.808 -10.114 -8.353 1.00 15.11 H new ATOM 323 N GLY A 18 -19.039 -9.977 -5.156 1.00 62.52 N ATOM 324 CA GLY A 18 -19.703 -10.997 -4.365 1.00 51.12 C ATOM 325 C GLY A 18 -21.126 -10.617 -4.007 1.00 0.22 C ATOM 326 O GLY A 18 -22.046 -11.422 -4.153 1.00 50.04 O ATOM 0 H GLY A 18 -18.243 -9.532 -4.700 1.00 62.52 H new ATOM 0 HA2 GLY A 18 -19.709 -11.936 -4.919 1.00 51.12 H new ATOM 0 HA3 GLY A 18 -19.135 -11.170 -3.451 1.00 51.12 H new ATOM 330 N ILE A 19 -21.307 -9.388 -3.534 1.00 74.24 N ATOM 331 CA ILE A 19 -22.628 -8.904 -3.153 1.00 74.14 C ATOM 332 C ILE A 19 -23.489 -8.629 -4.382 1.00 64.42 C ATOM 333 O ILE A 19 -24.704 -8.828 -4.359 1.00 3.03 O ATOM 334 CB ILE A 19 -22.535 -7.620 -2.308 1.00 53.03 C ATOM 335 CG1 ILE A 19 -21.728 -7.879 -1.034 1.00 74.15 C ATOM 336 CG2 ILE A 19 -23.927 -7.109 -1.966 1.00 21.43 C ATOM 337 CD1 ILE A 19 -21.084 -6.635 -0.464 1.00 64.31 C ATOM 0 H ILE A 19 -20.556 -8.710 -3.406 1.00 74.24 H new ATOM 0 HA ILE A 19 -23.091 -9.690 -2.556 1.00 74.14 H new ATOM 0 HB ILE A 19 -22.022 -6.855 -2.891 1.00 53.03 H new ATOM 0 HG12 ILE A 19 -22.383 -8.317 -0.281 1.00 74.15 H new ATOM 0 HG13 ILE A 19 -20.952 -8.614 -1.248 1.00 74.15 H new ATOM 0 HG21 ILE A 19 -23.845 -6.201 -1.369 1.00 21.43 H new ATOM 0 HG22 ILE A 19 -24.470 -6.890 -2.885 1.00 21.43 H new ATOM 0 HG23 ILE A 19 -24.464 -7.869 -1.399 1.00 21.43 H new ATOM 0 HD11 ILE A 19 -20.529 -6.893 0.438 1.00 64.31 H new ATOM 0 HD12 ILE A 19 -20.403 -6.208 -1.200 1.00 64.31 H new ATOM 0 HD13 ILE A 19 -21.856 -5.906 -0.218 1.00 64.31 H new ATOM 349 N ILE A 20 -22.850 -8.173 -5.455 1.00 32.54 N ATOM 350 CA ILE A 20 -23.557 -7.875 -6.694 1.00 44.40 C ATOM 351 C ILE A 20 -24.009 -9.153 -7.391 1.00 64.23 C ATOM 352 O ILE A 20 -25.156 -9.266 -7.824 1.00 43.42 O ATOM 353 CB ILE A 20 -22.677 -7.059 -7.661 1.00 35.34 C ATOM 354 CG1 ILE A 20 -22.260 -5.737 -7.013 1.00 73.22 C ATOM 355 CG2 ILE A 20 -23.419 -6.806 -8.965 1.00 25.11 C ATOM 356 CD1 ILE A 20 -20.953 -5.191 -7.542 1.00 64.35 C ATOM 0 H ILE A 20 -21.845 -8.002 -5.491 1.00 32.54 H new ATOM 0 HA ILE A 20 -24.432 -7.284 -6.424 1.00 44.40 H new ATOM 0 HB ILE A 20 -21.777 -7.632 -7.883 1.00 35.34 H new ATOM 0 HG12 ILE A 20 -23.045 -4.999 -7.175 1.00 73.22 H new ATOM 0 HG13 ILE A 20 -22.175 -5.881 -5.936 1.00 73.22 H new ATOM 0 HG21 ILE A 20 -22.785 -6.229 -9.638 1.00 25.11 H new ATOM 0 HG22 ILE A 20 -23.671 -7.759 -9.431 1.00 25.11 H new ATOM 0 HG23 ILE A 20 -24.334 -6.249 -8.761 1.00 25.11 H new ATOM 0 HD11 ILE A 20 -20.720 -4.253 -7.038 1.00 64.35 H new ATOM 0 HD12 ILE A 20 -20.156 -5.911 -7.356 1.00 64.35 H new ATOM 0 HD13 ILE A 20 -21.040 -5.015 -8.614 1.00 64.35 H new ATOM 368 N LYS A 21 -23.100 -10.117 -7.496 1.00 5.45 N ATOM 369 CA LYS A 21 -23.404 -11.390 -8.137 1.00 63.12 C ATOM 370 C LYS A 21 -24.543 -12.104 -7.416 1.00 65.32 C ATOM 371 O LYS A 21 -25.623 -12.290 -7.975 1.00 13.14 O ATOM 372 CB LYS A 21 -22.161 -12.283 -8.160 1.00 0.10 C ATOM 373 CG LYS A 21 -21.166 -11.912 -9.246 1.00 24.23 C ATOM 374 CD LYS A 21 -20.957 -13.055 -10.225 1.00 32.20 C ATOM 375 CE LYS A 21 -20.374 -12.563 -11.541 1.00 13.43 C ATOM 376 NZ LYS A 21 -19.212 -13.385 -11.975 1.00 23.51 N ATOM 0 H LYS A 21 -22.146 -10.040 -7.145 1.00 5.45 H new ATOM 0 HA LYS A 21 -23.717 -11.187 -9.161 1.00 63.12 H new ATOM 0 HB2 LYS A 21 -21.666 -12.227 -7.191 1.00 0.10 H new ATOM 0 HB3 LYS A 21 -22.470 -13.319 -8.301 1.00 0.10 H new ATOM 0 HG2 LYS A 21 -21.523 -11.033 -9.783 1.00 24.23 H new ATOM 0 HG3 LYS A 21 -20.213 -11.643 -8.791 1.00 24.23 H new ATOM 0 HD2 LYS A 21 -20.289 -13.795 -9.784 1.00 32.20 H new ATOM 0 HD3 LYS A 21 -21.908 -13.554 -10.411 1.00 32.20 H new ATOM 0 HE2 LYS A 21 -21.145 -12.588 -12.311 1.00 13.43 H new ATOM 0 HE3 LYS A 21 -20.064 -11.524 -11.435 1.00 13.43 H new ATOM 0 HZ1 LYS A 21 -18.844 -13.017 -12.875 1.00 23.51 H new ATOM 0 HZ2 LYS A 21 -18.466 -13.341 -11.252 1.00 23.51 H new ATOM 0 HZ3 LYS A 21 -19.513 -14.372 -12.102 1.00 23.51 H new ATOM 421 N ALA A 25 -27.922 -12.486 2.744 1.00 10.05 N ATOM 422 CA ALA A 25 -28.635 -11.702 3.745 1.00 31.34 C ATOM 423 C ALA A 25 -27.734 -10.630 4.348 1.00 65.12 C ATOM 424 O ALA A 25 -28.211 -9.606 4.837 1.00 61.21 O ATOM 425 CB ALA A 25 -29.180 -12.611 4.837 1.00 21.14 C ATOM 0 HA ALA A 25 -29.469 -11.203 3.252 1.00 31.34 H new ATOM 0 HB1 ALA A 25 -29.710 -12.012 5.578 1.00 21.14 H new ATOM 0 HB2 ALA A 25 -29.866 -13.336 4.398 1.00 21.14 H new ATOM 0 HB3 ALA A 25 -28.355 -13.137 5.318 1.00 21.14 H new ATOM 431 N VAL A 26 -26.427 -10.872 4.310 1.00 70.22 N ATOM 432 CA VAL A 26 -25.458 -9.927 4.852 1.00 52.13 C ATOM 433 C VAL A 26 -25.683 -8.527 4.291 1.00 72.31 C ATOM 434 O VAL A 26 -25.951 -7.585 5.036 1.00 53.14 O ATOM 435 CB VAL A 26 -24.014 -10.365 4.544 1.00 20.23 C ATOM 436 CG1 VAL A 26 -23.019 -9.371 5.125 1.00 73.54 C ATOM 437 CG2 VAL A 26 -23.757 -11.765 5.081 1.00 23.02 C ATOM 0 H VAL A 26 -26.015 -11.715 3.909 1.00 70.22 H new ATOM 0 HA VAL A 26 -25.602 -9.910 5.932 1.00 52.13 H new ATOM 0 HB VAL A 26 -23.881 -10.385 3.462 1.00 20.23 H new ATOM 0 HG11 VAL A 26 -22.004 -9.697 4.897 1.00 73.54 H new ATOM 0 HG12 VAL A 26 -23.191 -8.387 4.688 1.00 73.54 H new ATOM 0 HG13 VAL A 26 -23.149 -9.316 6.206 1.00 73.54 H new ATOM 0 HG21 VAL A 26 -22.732 -12.059 4.855 1.00 23.02 H new ATOM 0 HG22 VAL A 26 -23.907 -11.774 6.161 1.00 23.02 H new ATOM 0 HG23 VAL A 26 -24.447 -12.467 4.613 1.00 23.02 H new ATOM 447 N ALA A 27 -25.573 -8.399 2.973 1.00 63.13 N ATOM 448 CA ALA A 27 -25.767 -7.115 2.311 1.00 3.22 C ATOM 449 C ALA A 27 -27.114 -6.504 2.682 1.00 70.32 C ATOM 450 O ALA A 27 -27.200 -5.324 3.022 1.00 62.21 O ATOM 451 CB ALA A 27 -25.655 -7.276 0.802 1.00 33.23 C ATOM 0 H ALA A 27 -25.350 -9.169 2.342 1.00 63.13 H new ATOM 0 HA ALA A 27 -24.984 -6.437 2.651 1.00 3.22 H new ATOM 0 HB1 ALA A 27 -25.802 -6.309 0.321 1.00 33.23 H new ATOM 0 HB2 ALA A 27 -24.667 -7.660 0.549 1.00 33.23 H new ATOM 0 HB3 ALA A 27 -26.416 -7.974 0.453 1.00 33.23 H new ATOM 457 N VAL A 28 -28.165 -7.315 2.613 1.00 30.30 N ATOM 458 CA VAL A 28 -29.509 -6.855 2.942 1.00 42.22 C ATOM 459 C VAL A 28 -29.568 -6.302 4.361 1.00 33.14 C ATOM 460 O VAL A 28 -29.800 -5.111 4.566 1.00 14.51 O ATOM 461 CB VAL A 28 -30.541 -7.989 2.801 1.00 71.14 C ATOM 462 CG1 VAL A 28 -31.942 -7.476 3.095 1.00 54.23 C ATOM 463 CG2 VAL A 28 -30.470 -8.603 1.411 1.00 72.43 C ATOM 0 H VAL A 28 -28.112 -8.294 2.332 1.00 30.30 H new ATOM 0 HA VAL A 28 -29.754 -6.062 2.236 1.00 42.22 H new ATOM 0 HB VAL A 28 -30.304 -8.765 3.529 1.00 71.14 H new ATOM 0 HG11 VAL A 28 -32.658 -8.292 2.990 1.00 54.23 H new ATOM 0 HG12 VAL A 28 -31.981 -7.087 4.113 1.00 54.23 H new ATOM 0 HG13 VAL A 28 -32.193 -6.681 2.393 1.00 54.23 H new ATOM 0 HG21 VAL A 28 -31.206 -9.403 1.329 1.00 72.43 H new ATOM 0 HG22 VAL A 28 -30.681 -7.838 0.664 1.00 72.43 H new ATOM 0 HG23 VAL A 28 -29.473 -9.009 1.243 1.00 72.43 H new ATOM 473 N VAL A 29 -29.357 -7.176 5.340 1.00 24.13 N ATOM 474 CA VAL A 29 -29.384 -6.776 6.742 1.00 54.21 C ATOM 475 C VAL A 29 -28.471 -5.581 6.990 1.00 12.53 C ATOM 476 O VAL A 29 -28.885 -4.582 7.577 1.00 5.53 O ATOM 477 CB VAL A 29 -28.959 -7.933 7.665 1.00 72.32 C ATOM 478 CG1 VAL A 29 -29.086 -7.526 9.125 1.00 70.40 C ATOM 479 CG2 VAL A 29 -29.787 -9.176 7.375 1.00 23.44 C ATOM 0 H VAL A 29 -29.165 -8.166 5.188 1.00 24.13 H new ATOM 0 HA VAL A 29 -30.413 -6.498 6.971 1.00 54.21 H new ATOM 0 HB VAL A 29 -27.913 -8.167 7.468 1.00 72.32 H new ATOM 0 HG11 VAL A 29 -28.781 -8.356 9.762 1.00 70.40 H new ATOM 0 HG12 VAL A 29 -28.446 -6.665 9.320 1.00 70.40 H new ATOM 0 HG13 VAL A 29 -30.122 -7.264 9.341 1.00 70.40 H new ATOM 0 HG21 VAL A 29 -29.474 -9.984 8.036 1.00 23.44 H new ATOM 0 HG22 VAL A 29 -30.842 -8.958 7.543 1.00 23.44 H new ATOM 0 HG23 VAL A 29 -29.640 -9.478 6.338 1.00 23.44 H new ATOM 489 N GLY A 30 -27.226 -5.690 6.538 1.00 25.21 N ATOM 490 CA GLY A 30 -26.273 -4.611 6.720 1.00 25.04 C ATOM 491 C GLY A 30 -26.765 -3.299 6.143 1.00 12.23 C ATOM 492 O GLY A 30 -26.893 -2.308 6.861 1.00 13.43 O ATOM 0 H GLY A 30 -26.860 -6.507 6.049 1.00 25.21 H new ATOM 0 HA2 GLY A 30 -26.072 -4.484 7.784 1.00 25.04 H new ATOM 0 HA3 GLY A 30 -25.329 -4.881 6.247 1.00 25.04 H new ATOM 496 N GLN A 31 -27.040 -3.292 4.843 1.00 72.20 N ATOM 497 CA GLN A 31 -27.519 -2.091 4.170 1.00 10.51 C ATOM 498 C GLN A 31 -28.727 -1.506 4.894 1.00 34.11 C ATOM 499 O GLN A 31 -28.703 -0.358 5.336 1.00 3.02 O ATOM 500 CB GLN A 31 -27.882 -2.404 2.718 1.00 73.33 C ATOM 501 CG GLN A 31 -26.674 -2.590 1.815 1.00 44.24 C ATOM 502 CD GLN A 31 -26.355 -1.349 1.004 1.00 3.12 C ATOM 503 OE1 GLN A 31 -25.243 -0.822 1.065 1.00 35.04 O ATOM 504 NE2 GLN A 31 -27.330 -0.875 0.238 1.00 14.23 N ATOM 0 H GLN A 31 -26.939 -4.105 4.235 1.00 72.20 H new ATOM 0 HA GLN A 31 -26.717 -1.353 4.185 1.00 10.51 H new ATOM 0 HB2 GLN A 31 -28.488 -3.310 2.691 1.00 73.33 H new ATOM 0 HB3 GLN A 31 -28.498 -1.596 2.324 1.00 73.33 H new ATOM 0 HG2 GLN A 31 -25.809 -2.855 2.422 1.00 44.24 H new ATOM 0 HG3 GLN A 31 -26.856 -3.425 1.138 1.00 44.24 H new ATOM 0 HE21 GLN A 31 -28.236 -1.343 0.218 1.00 14.23 H new ATOM 0 HE22 GLN A 31 -27.173 -0.043 -0.330 1.00 14.23 H new ATOM 513 N ALA A 32 -29.784 -2.304 5.011 1.00 42.00 N ATOM 514 CA ALA A 32 -31.001 -1.866 5.683 1.00 71.23 C ATOM 515 C ALA A 32 -30.694 -1.311 7.069 1.00 3.02 C ATOM 516 O ALA A 32 -31.115 -0.207 7.413 1.00 24.04 O ATOM 517 CB ALA A 32 -31.993 -3.016 5.780 1.00 23.14 C ATOM 0 H ALA A 32 -29.822 -3.257 4.649 1.00 42.00 H new ATOM 0 HA ALA A 32 -31.446 -1.066 5.091 1.00 71.23 H new ATOM 0 HB1 ALA A 32 -32.897 -2.675 6.284 1.00 23.14 H new ATOM 0 HB2 ALA A 32 -32.245 -3.364 4.778 1.00 23.14 H new ATOM 0 HB3 ALA A 32 -31.548 -3.834 6.347 1.00 23.14 H new ATOM 523 N ALA A 33 -29.958 -2.084 7.861 1.00 1.03 N ATOM 524 CA ALA A 33 -29.593 -1.668 9.210 1.00 34.30 C ATOM 525 C ALA A 33 -28.852 -0.336 9.192 1.00 13.33 C ATOM 526 O ALA A 33 -29.114 0.544 10.014 1.00 61.41 O ATOM 527 CB ALA A 33 -28.744 -2.738 9.880 1.00 0.14 C ATOM 0 H ALA A 33 -29.603 -3.002 7.592 1.00 1.03 H new ATOM 0 HA ALA A 33 -30.510 -1.535 9.784 1.00 34.30 H new ATOM 0 HB1 ALA A 33 -28.479 -2.414 10.886 1.00 0.14 H new ATOM 0 HB2 ALA A 33 -29.309 -3.669 9.935 1.00 0.14 H new ATOM 0 HB3 ALA A 33 -27.836 -2.898 9.299 1.00 0.14 H new ATOM 533 N THR A 34 -27.925 -0.192 8.251 1.00 42.13 N ATOM 534 CA THR A 34 -27.144 1.033 8.127 1.00 34.33 C ATOM 535 C THR A 34 -28.023 2.205 7.707 1.00 74.13 C ATOM 536 O THR A 34 -27.869 3.320 8.205 1.00 44.13 O ATOM 537 CB THR A 34 -26.002 0.870 7.107 1.00 40.42 C ATOM 538 OG1 THR A 34 -25.192 -0.259 7.453 1.00 14.22 O ATOM 539 CG2 THR A 34 -25.140 2.123 7.056 1.00 23.42 C ATOM 0 H THR A 34 -27.696 -0.909 7.563 1.00 42.13 H new ATOM 0 HA THR A 34 -26.717 1.237 9.109 1.00 34.33 H new ATOM 0 HB THR A 34 -26.443 0.711 6.123 1.00 40.42 H new ATOM 0 HG1 THR A 34 -25.633 -1.082 7.155 1.00 14.22 H new ATOM 0 HG21 THR A 34 -24.340 1.985 6.329 1.00 23.42 H new ATOM 0 HG22 THR A 34 -25.753 2.975 6.763 1.00 23.42 H new ATOM 0 HG23 THR A 34 -24.708 2.308 8.040 1.00 23.42 H new ATOM 547 N VAL A 35 -28.948 1.946 6.787 1.00 24.51 N ATOM 548 CA VAL A 35 -29.853 2.979 6.301 1.00 54.43 C ATOM 549 C VAL A 35 -30.844 3.395 7.382 1.00 1.43 C ATOM 550 O VAL A 35 -31.167 4.575 7.523 1.00 4.14 O ATOM 551 CB VAL A 35 -30.634 2.504 5.061 1.00 63.13 C ATOM 552 CG1 VAL A 35 -31.569 3.597 4.567 1.00 71.12 C ATOM 553 CG2 VAL A 35 -29.675 2.074 3.961 1.00 43.12 C ATOM 0 H VAL A 35 -29.089 1.029 6.364 1.00 24.51 H new ATOM 0 HA VAL A 35 -29.237 3.835 6.027 1.00 54.43 H new ATOM 0 HB VAL A 35 -31.239 1.642 5.342 1.00 63.13 H new ATOM 0 HG11 VAL A 35 -32.112 3.243 3.691 1.00 71.12 H new ATOM 0 HG12 VAL A 35 -32.278 3.853 5.354 1.00 71.12 H new ATOM 0 HG13 VAL A 35 -30.988 4.480 4.301 1.00 71.12 H new ATOM 0 HG21 VAL A 35 -30.243 1.741 3.092 1.00 43.12 H new ATOM 0 HG22 VAL A 35 -29.042 2.916 3.680 1.00 43.12 H new ATOM 0 HG23 VAL A 35 -29.051 1.256 4.321 1.00 43.12 H new ATOM 563 N VAL A 36 -31.324 2.418 8.145 1.00 3.32 N ATOM 564 CA VAL A 36 -32.277 2.683 9.216 1.00 21.43 C ATOM 565 C VAL A 36 -31.594 3.339 10.410 1.00 4.34 C ATOM 566 O VAL A 36 -32.022 4.393 10.883 1.00 25.41 O ATOM 567 CB VAL A 36 -32.970 1.389 9.683 1.00 62.40 C ATOM 568 CG1 VAL A 36 -33.961 1.686 10.798 1.00 23.41 C ATOM 569 CG2 VAL A 36 -33.660 0.703 8.514 1.00 72.13 C ATOM 0 H VAL A 36 -31.068 1.436 8.041 1.00 3.32 H new ATOM 0 HA VAL A 36 -33.027 3.363 8.811 1.00 21.43 H new ATOM 0 HB VAL A 36 -32.211 0.712 10.075 1.00 62.40 H new ATOM 0 HG11 VAL A 36 -34.441 0.760 11.115 1.00 23.41 H new ATOM 0 HG12 VAL A 36 -33.435 2.130 11.643 1.00 23.41 H new ATOM 0 HG13 VAL A 36 -34.718 2.381 10.436 1.00 23.41 H new ATOM 0 HG21 VAL A 36 -34.144 -0.209 8.862 1.00 72.13 H new ATOM 0 HG22 VAL A 36 -34.409 1.372 8.090 1.00 72.13 H new ATOM 0 HG23 VAL A 36 -32.922 0.454 7.751 1.00 72.13 H new ATOM 579 N LYS A 37 -30.528 2.711 10.895 1.00 61.34 N ATOM 580 CA LYS A 37 -29.782 3.234 12.033 1.00 32.42 C ATOM 581 C LYS A 37 -28.742 4.254 11.580 1.00 35.25 C ATOM 582 O LYS A 37 -28.891 5.453 11.818 1.00 61.24 O ATOM 583 CB LYS A 37 -29.097 2.092 12.788 1.00 12.22 C ATOM 584 CG LYS A 37 -30.036 0.956 13.156 1.00 52.33 C ATOM 585 CD LYS A 37 -29.413 0.029 14.185 1.00 30.43 C ATOM 586 CE LYS A 37 -30.120 0.131 15.528 1.00 72.20 C ATOM 587 NZ LYS A 37 -29.459 -0.704 16.568 1.00 23.43 N ATOM 0 H LYS A 37 -30.161 1.838 10.517 1.00 61.34 H new ATOM 0 HA LYS A 37 -30.486 3.732 12.700 1.00 32.42 H new ATOM 0 HB2 LYS A 37 -28.286 1.698 12.176 1.00 12.22 H new ATOM 0 HB3 LYS A 37 -28.646 2.488 13.698 1.00 12.22 H new ATOM 0 HG2 LYS A 37 -30.967 1.365 13.550 1.00 52.33 H new ATOM 0 HG3 LYS A 37 -30.291 0.389 12.261 1.00 52.33 H new ATOM 0 HD2 LYS A 37 -29.459 -0.999 13.825 1.00 30.43 H new ATOM 0 HD3 LYS A 37 -28.359 0.276 14.308 1.00 30.43 H new ATOM 0 HE2 LYS A 37 -30.134 1.171 15.853 1.00 72.20 H new ATOM 0 HE3 LYS A 37 -31.158 -0.182 15.417 1.00 72.20 H new ATOM 0 HZ1 LYS A 37 -29.971 -0.607 17.468 1.00 23.43 H new ATOM 0 HZ2 LYS A 37 -29.468 -1.700 16.270 1.00 23.43 H new ATOM 0 HZ3 LYS A 37 -28.476 -0.389 16.693 1.00 23.43 H new