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+ 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+ 161:sc= 0 (180deg=-0.146) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0358 K(o=-0.036,f=-0.95) USER MOD Single : A 34 THR OG1 : rot 74:sc= 1.04 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 -0.067 -3.125 0.038 1.00 13.05 N ATOM 50 CA LYS A 3 -1.186 -3.041 0.970 1.00 5.53 C ATOM 51 C LYS A 3 -2.380 -2.344 0.326 1.00 63.35 C ATOM 52 O LYS A 3 -3.444 -2.941 0.163 1.00 34.21 O ATOM 53 CB LYS A 3 -0.766 -2.289 2.236 1.00 61.31 C ATOM 54 CG LYS A 3 0.248 -3.041 3.081 1.00 12.33 C ATOM 55 CD LYS A 3 0.942 -2.119 4.070 1.00 35.14 C ATOM 56 CE LYS A 3 1.659 -2.906 5.157 1.00 53.12 C ATOM 57 NZ LYS A 3 2.407 -2.014 6.085 1.00 22.01 N ATOM 0 HA LYS A 3 -1.481 -4.056 1.237 1.00 5.53 H new ATOM 0 HB2 LYS A 3 -0.346 -1.324 1.953 1.00 61.31 H new ATOM 0 HB3 LYS A 3 -1.651 -2.087 2.839 1.00 61.31 H new ATOM 0 HG2 LYS A 3 -0.252 -3.845 3.621 1.00 12.33 H new ATOM 0 HG3 LYS A 3 0.991 -3.506 2.432 1.00 12.33 H new ATOM 0 HD2 LYS A 3 1.659 -1.490 3.542 1.00 35.14 H new ATOM 0 HD3 LYS A 3 0.209 -1.453 4.525 1.00 35.14 H new ATOM 0 HE2 LYS A 3 0.932 -3.490 5.722 1.00 53.12 H new ATOM 0 HE3 LYS A 3 2.349 -3.614 4.698 1.00 53.12 H new ATOM 0 HZ1 LYS A 3 2.882 -2.588 6.811 1.00 22.01 H new ATOM 0 HZ2 LYS A 3 3.118 -1.475 5.551 1.00 22.01 H new ATOM 0 HZ3 LYS A 3 1.745 -1.355 6.543 1.00 22.01 H new ATOM 71 N ILE A 4 -2.195 -1.080 -0.041 1.00 20.52 N ATOM 72 CA ILE A 4 -3.257 -0.305 -0.670 1.00 63.12 C ATOM 73 C ILE A 4 -3.812 -1.026 -1.894 1.00 13.32 C ATOM 74 O ILE A 4 -5.023 -1.203 -2.026 1.00 74.15 O ATOM 75 CB ILE A 4 -2.760 1.091 -1.092 1.00 34.44 C ATOM 76 CG1 ILE A 4 -2.162 1.827 0.109 1.00 52.13 C ATOM 77 CG2 ILE A 4 -3.899 1.896 -1.701 1.00 25.24 C ATOM 78 CD1 ILE A 4 -3.132 1.998 1.257 1.00 2.40 C ATOM 0 H ILE A 4 -1.320 -0.571 0.086 1.00 20.52 H new ATOM 0 HA ILE A 4 -4.048 -0.192 0.072 1.00 63.12 H new ATOM 0 HB ILE A 4 -1.982 0.972 -1.846 1.00 34.44 H new ATOM 0 HG12 ILE A 4 -1.287 1.280 0.461 1.00 52.13 H new ATOM 0 HG13 ILE A 4 -1.816 2.809 -0.213 1.00 52.13 H new ATOM 0 HG21 ILE A 4 -3.533 2.880 -1.994 1.00 25.24 H new ATOM 0 HG22 ILE A 4 -4.284 1.376 -2.578 1.00 25.24 H new ATOM 0 HG23 ILE A 4 -4.697 2.010 -0.967 1.00 25.24 H new ATOM 0 HD11 ILE A 4 -2.640 2.528 2.073 1.00 2.40 H new ATOM 0 HD12 ILE A 4 -3.996 2.571 0.921 1.00 2.40 H new ATOM 0 HD13 ILE A 4 -3.460 1.019 1.605 1.00 2.40 H new ATOM 90 N PHE A 5 -2.919 -1.441 -2.786 1.00 3.24 N ATOM 91 CA PHE A 5 -3.319 -2.144 -3.999 1.00 12.41 C ATOM 92 C PHE A 5 -4.210 -3.337 -3.667 1.00 54.12 C ATOM 93 O PHE A 5 -5.385 -3.370 -4.033 1.00 75.13 O ATOM 94 CB PHE A 5 -2.085 -2.614 -4.772 1.00 54.42 C ATOM 95 CG PHE A 5 -2.315 -2.733 -6.252 1.00 21.33 C ATOM 96 CD1 PHE A 5 -2.303 -1.609 -7.061 1.00 53.22 C ATOM 97 CD2 PHE A 5 -2.542 -3.970 -6.833 1.00 63.32 C ATOM 98 CE1 PHE A 5 -2.515 -1.716 -8.423 1.00 30.33 C ATOM 99 CE2 PHE A 5 -2.754 -4.084 -8.194 1.00 64.03 C ATOM 100 CZ PHE A 5 -2.739 -2.955 -8.990 1.00 72.42 C ATOM 0 H PHE A 5 -1.913 -1.302 -2.692 1.00 3.24 H new ATOM 0 HA PHE A 5 -3.886 -1.451 -4.621 1.00 12.41 H new ATOM 0 HB2 PHE A 5 -1.267 -1.916 -4.594 1.00 54.42 H new ATOM 0 HB3 PHE A 5 -1.769 -3.582 -4.382 1.00 54.42 H new ATOM 0 HD1 PHE A 5 -2.126 -0.638 -6.623 1.00 53.22 H new ATOM 0 HD2 PHE A 5 -2.553 -4.856 -6.215 1.00 63.32 H new ATOM 0 HE1 PHE A 5 -2.505 -0.832 -9.043 1.00 30.33 H new ATOM 0 HE2 PHE A 5 -2.931 -5.054 -8.634 1.00 64.03 H new ATOM 0 HZ PHE A 5 -2.902 -3.041 -10.054 1.00 72.42 H new ATOM 110 N LYS A 6 -3.643 -4.316 -2.972 1.00 23.43 N ATOM 111 CA LYS A 6 -4.384 -5.512 -2.589 1.00 25.52 C ATOM 112 C LYS A 6 -5.683 -5.144 -1.881 1.00 55.00 C ATOM 113 O LYS A 6 -6.739 -5.713 -2.162 1.00 44.11 O ATOM 114 CB LYS A 6 -3.528 -6.398 -1.679 1.00 54.42 C ATOM 115 CG LYS A 6 -4.240 -7.655 -1.211 1.00 21.13 C ATOM 116 CD LYS A 6 -3.408 -8.421 -0.196 1.00 31.22 C ATOM 117 CE LYS A 6 -3.908 -8.191 1.222 1.00 34.41 C ATOM 118 NZ LYS A 6 -3.752 -9.406 2.069 1.00 31.21 N ATOM 0 H LYS A 6 -2.671 -4.305 -2.662 1.00 23.43 H new ATOM 0 HA LYS A 6 -4.629 -6.063 -3.497 1.00 25.52 H new ATOM 0 HB2 LYS A 6 -2.620 -6.681 -2.211 1.00 54.42 H new ATOM 0 HB3 LYS A 6 -3.219 -5.819 -0.808 1.00 54.42 H new ATOM 0 HG2 LYS A 6 -5.200 -7.388 -0.769 1.00 21.13 H new ATOM 0 HG3 LYS A 6 -4.451 -8.295 -2.068 1.00 21.13 H new ATOM 0 HD2 LYS A 6 -3.441 -9.486 -0.426 1.00 31.22 H new ATOM 0 HD3 LYS A 6 -2.366 -8.111 -0.270 1.00 31.22 H new ATOM 0 HE2 LYS A 6 -3.360 -7.363 1.671 1.00 34.41 H new ATOM 0 HE3 LYS A 6 -4.958 -7.900 1.194 1.00 34.41 H new ATOM 0 HZ1 LYS A 6 -4.104 -9.209 3.027 1.00 31.21 H new ATOM 0 HZ2 LYS A 6 -4.296 -10.190 1.655 1.00 31.21 H new ATOM 0 HZ3 LYS A 6 -2.747 -9.669 2.117 1.00 31.21 H new ATOM 132 N LYS A 7 -5.601 -4.188 -0.962 1.00 51.43 N ATOM 133 CA LYS A 7 -6.771 -3.740 -0.216 1.00 21.33 C ATOM 134 C LYS A 7 -7.860 -3.240 -1.159 1.00 70.23 C ATOM 135 O LYS A 7 -8.922 -3.853 -1.276 1.00 41.43 O ATOM 136 CB LYS A 7 -6.382 -2.632 0.765 1.00 53.41 C ATOM 137 CG LYS A 7 -7.513 -2.213 1.689 1.00 22.21 C ATOM 138 CD LYS A 7 -7.020 -1.996 3.110 1.00 71.20 C ATOM 139 CE LYS A 7 -8.031 -1.217 3.938 1.00 71.54 C ATOM 140 NZ LYS A 7 -7.936 -1.551 5.386 1.00 55.50 N ATOM 0 H LYS A 7 -4.735 -3.708 -0.716 1.00 51.43 H new ATOM 0 HA LYS A 7 -7.162 -4.591 0.342 1.00 21.33 H new ATOM 0 HB2 LYS A 7 -5.539 -2.971 1.367 1.00 53.41 H new ATOM 0 HB3 LYS A 7 -6.043 -1.762 0.202 1.00 53.41 H new ATOM 0 HG2 LYS A 7 -7.968 -1.295 1.316 1.00 22.21 H new ATOM 0 HG3 LYS A 7 -8.290 -2.978 1.685 1.00 22.21 H new ATOM 0 HD2 LYS A 7 -6.828 -2.960 3.581 1.00 71.20 H new ATOM 0 HD3 LYS A 7 -6.073 -1.457 3.089 1.00 71.20 H new ATOM 0 HE2 LYS A 7 -7.867 -0.148 3.800 1.00 71.54 H new ATOM 0 HE3 LYS A 7 -9.038 -1.434 3.580 1.00 71.54 H new ATOM 0 HZ1 LYS A 7 -8.641 -1.000 5.916 1.00 55.50 H new ATOM 0 HZ2 LYS A 7 -8.117 -2.566 5.521 1.00 55.50 H new ATOM 0 HZ3 LYS A 7 -6.983 -1.320 5.734 1.00 55.50 H new ATOM 154 N ILE A 8 -7.589 -2.126 -1.831 1.00 30.04 N ATOM 155 CA ILE A 8 -8.545 -1.546 -2.766 1.00 33.35 C ATOM 156 C ILE A 8 -9.031 -2.586 -3.770 1.00 13.31 C ATOM 157 O ILE A 8 -10.214 -2.633 -4.106 1.00 12.55 O ATOM 158 CB ILE A 8 -7.935 -0.357 -3.530 1.00 11.53 C ATOM 159 CG1 ILE A 8 -7.467 0.721 -2.550 1.00 23.05 C ATOM 160 CG2 ILE A 8 -8.946 0.217 -4.512 1.00 23.51 C ATOM 161 CD1 ILE A 8 -8.592 1.345 -1.755 1.00 10.15 C ATOM 0 H ILE A 8 -6.715 -1.607 -1.745 1.00 30.04 H new ATOM 0 HA ILE A 8 -9.390 -1.192 -2.175 1.00 33.35 H new ATOM 0 HB ILE A 8 -7.071 -0.711 -4.093 1.00 11.53 H new ATOM 0 HG12 ILE A 8 -6.744 0.285 -1.860 1.00 23.05 H new ATOM 0 HG13 ILE A 8 -6.947 1.503 -3.104 1.00 23.05 H new ATOM 0 HG21 ILE A 8 -8.500 1.057 -5.044 1.00 23.51 H new ATOM 0 HG22 ILE A 8 -9.236 -0.553 -5.227 1.00 23.51 H new ATOM 0 HG23 ILE A 8 -9.827 0.559 -3.969 1.00 23.51 H new ATOM 0 HD11 ILE A 8 -8.186 2.100 -1.081 1.00 10.15 H new ATOM 0 HD12 ILE A 8 -9.304 1.811 -2.436 1.00 10.15 H new ATOM 0 HD13 ILE A 8 -9.098 0.574 -1.174 1.00 10.15 H new ATOM 173 N GLU A 9 -8.110 -3.418 -4.244 1.00 70.43 N ATOM 174 CA GLU A 9 -8.446 -4.458 -5.210 1.00 22.31 C ATOM 175 C GLU A 9 -9.447 -5.447 -4.619 1.00 4.03 C ATOM 176 O GLU A 9 -10.590 -5.533 -5.066 1.00 14.00 O ATOM 177 CB GLU A 9 -7.183 -5.199 -5.655 1.00 40.32 C ATOM 178 CG GLU A 9 -6.396 -4.468 -6.730 1.00 51.01 C ATOM 179 CD GLU A 9 -7.008 -4.623 -8.109 1.00 34.53 C ATOM 180 OE1 GLU A 9 -7.766 -5.595 -8.315 1.00 2.05 O ATOM 181 OE2 GLU A 9 -6.730 -3.775 -8.981 1.00 53.42 O ATOM 0 H GLU A 9 -7.126 -3.393 -3.976 1.00 70.43 H new ATOM 0 HA GLU A 9 -8.902 -3.979 -6.076 1.00 22.31 H new ATOM 0 HB2 GLU A 9 -6.540 -5.356 -4.789 1.00 40.32 H new ATOM 0 HB3 GLU A 9 -7.462 -6.185 -6.028 1.00 40.32 H new ATOM 0 HG2 GLU A 9 -6.341 -3.409 -6.478 1.00 51.01 H new ATOM 0 HG3 GLU A 9 -5.373 -4.845 -6.746 1.00 51.01 H new ATOM 188 N LYS A 10 -9.007 -6.193 -3.610 1.00 54.44 N ATOM 189 CA LYS A 10 -9.863 -7.176 -2.956 1.00 4.52 C ATOM 190 C LYS A 10 -11.180 -6.544 -2.518 1.00 33.42 C ATOM 191 O LYS A 10 -12.258 -7.045 -2.841 1.00 44.34 O ATOM 192 CB LYS A 10 -9.147 -7.779 -1.745 1.00 62.13 C ATOM 193 CG LYS A 10 -8.421 -9.077 -2.053 1.00 31.51 C ATOM 194 CD LYS A 10 -7.201 -9.258 -1.165 1.00 73.41 C ATOM 195 CE LYS A 10 -7.172 -10.642 -0.533 1.00 51.41 C ATOM 196 NZ LYS A 10 -7.162 -11.720 -1.560 1.00 33.34 N ATOM 0 H LYS A 10 -8.063 -6.135 -3.228 1.00 54.44 H new ATOM 0 HA LYS A 10 -10.081 -7.967 -3.674 1.00 4.52 H new ATOM 0 HB2 LYS A 10 -8.430 -7.054 -1.359 1.00 62.13 H new ATOM 0 HB3 LYS A 10 -9.876 -7.959 -0.955 1.00 62.13 H new ATOM 0 HG2 LYS A 10 -9.101 -9.917 -1.914 1.00 31.51 H new ATOM 0 HG3 LYS A 10 -8.115 -9.084 -3.099 1.00 31.51 H new ATOM 0 HD2 LYS A 10 -6.296 -9.106 -1.753 1.00 73.41 H new ATOM 0 HD3 LYS A 10 -7.203 -8.499 -0.382 1.00 73.41 H new ATOM 0 HE2 LYS A 10 -6.289 -10.734 0.099 1.00 51.41 H new ATOM 0 HE3 LYS A 10 -8.041 -10.764 0.114 1.00 51.41 H new ATOM 0 HZ1 LYS A 10 -6.824 -12.605 -1.131 1.00 33.34 H new ATOM 0 HZ2 LYS A 10 -8.125 -11.859 -1.927 1.00 33.34 H new ATOM 0 HZ3 LYS A 10 -6.530 -11.450 -2.340 1.00 33.34 H new ATOM 210 N VAL A 11 -11.087 -5.442 -1.781 1.00 53.11 N ATOM 211 CA VAL A 11 -12.272 -4.741 -1.301 1.00 52.11 C ATOM 212 C VAL A 11 -13.162 -4.307 -2.461 1.00 23.31 C ATOM 213 O VAL A 11 -14.383 -4.244 -2.330 1.00 53.30 O ATOM 214 CB VAL A 11 -11.893 -3.502 -0.469 1.00 4.14 C ATOM 215 CG1 VAL A 11 -13.141 -2.767 -0.004 1.00 60.32 C ATOM 216 CG2 VAL A 11 -11.027 -3.902 0.717 1.00 53.20 C ATOM 0 H VAL A 11 -10.203 -5.015 -1.503 1.00 53.11 H new ATOM 0 HA VAL A 11 -12.819 -5.441 -0.669 1.00 52.11 H new ATOM 0 HB VAL A 11 -11.317 -2.825 -1.100 1.00 4.14 H new ATOM 0 HG11 VAL A 11 -12.852 -1.895 0.582 1.00 60.32 H new ATOM 0 HG12 VAL A 11 -13.719 -2.447 -0.871 1.00 60.32 H new ATOM 0 HG13 VAL A 11 -13.747 -3.432 0.610 1.00 60.32 H new ATOM 0 HG21 VAL A 11 -10.768 -3.014 1.294 1.00 53.20 H new ATOM 0 HG22 VAL A 11 -11.576 -4.599 1.350 1.00 53.20 H new ATOM 0 HG23 VAL A 11 -10.115 -4.379 0.357 1.00 53.20 H new ATOM 226 N GLY A 12 -12.540 -4.010 -3.598 1.00 5.22 N ATOM 227 CA GLY A 12 -13.290 -3.586 -4.765 1.00 72.13 C ATOM 228 C GLY A 12 -13.979 -4.742 -5.462 1.00 74.34 C ATOM 229 O GLY A 12 -15.081 -4.590 -5.990 1.00 40.35 O ATOM 0 H GLY A 12 -11.530 -4.056 -3.731 1.00 5.22 H new ATOM 0 HA2 GLY A 12 -14.036 -2.849 -4.466 1.00 72.13 H new ATOM 0 HA3 GLY A 12 -12.617 -3.092 -5.466 1.00 72.13 H new ATOM 233 N ARG A 13 -13.329 -5.901 -5.466 1.00 34.41 N ATOM 234 CA ARG A 13 -13.885 -7.087 -6.106 1.00 75.32 C ATOM 235 C ARG A 13 -14.922 -7.755 -5.207 1.00 51.03 C ATOM 236 O ARG A 13 -15.905 -8.316 -5.688 1.00 75.21 O ATOM 237 CB ARG A 13 -12.772 -8.080 -6.444 1.00 21.55 C ATOM 238 CG ARG A 13 -12.015 -7.738 -7.716 1.00 41.42 C ATOM 239 CD ARG A 13 -12.500 -8.568 -8.894 1.00 34.10 C ATOM 240 NE ARG A 13 -12.200 -9.987 -8.724 1.00 63.11 N ATOM 241 CZ ARG A 13 -12.462 -10.909 -9.644 1.00 32.14 C ATOM 242 NH1 ARG A 13 -13.027 -10.563 -10.792 1.00 13.11 N ATOM 243 NH2 ARG A 13 -12.159 -12.181 -9.415 1.00 41.44 N ATOM 0 H ARG A 13 -12.417 -6.044 -5.033 1.00 34.41 H new ATOM 0 HA ARG A 13 -14.376 -6.775 -7.028 1.00 75.32 H new ATOM 0 HB2 ARG A 13 -12.068 -8.121 -5.613 1.00 21.55 H new ATOM 0 HB3 ARG A 13 -13.204 -9.076 -6.545 1.00 21.55 H new ATOM 0 HG2 ARG A 13 -12.139 -6.679 -7.941 1.00 41.42 H new ATOM 0 HG3 ARG A 13 -10.949 -7.909 -7.563 1.00 41.42 H new ATOM 0 HD2 ARG A 13 -13.576 -8.436 -9.012 1.00 34.10 H new ATOM 0 HD3 ARG A 13 -12.032 -8.206 -9.810 1.00 34.10 H new ATOM 0 HE ARG A 13 -11.766 -10.287 -7.851 1.00 63.11 H new ATOM 0 HH11 ARG A 13 -13.262 -9.587 -10.971 1.00 13.11 H new ATOM 0 HH12 ARG A 13 -13.227 -11.273 -11.496 1.00 13.11 H new ATOM 0 HH21 ARG A 13 -11.725 -12.451 -8.532 1.00 41.44 H new ATOM 0 HH22 ARG A 13 -12.360 -12.888 -10.122 1.00 41.44 H new ATOM 257 N ASN A 14 -14.693 -7.690 -3.900 1.00 15.14 N ATOM 258 CA ASN A 14 -15.607 -8.289 -2.933 1.00 41.03 C ATOM 259 C ASN A 14 -17.026 -7.765 -3.130 1.00 34.55 C ATOM 260 O ASN A 14 -17.959 -8.537 -3.352 1.00 32.40 O ATOM 261 CB ASN A 14 -15.136 -7.998 -1.507 1.00 14.41 C ATOM 262 CG ASN A 14 -16.067 -8.580 -0.461 1.00 30.12 C ATOM 263 OD1 ASN A 14 -16.799 -7.852 0.210 1.00 43.21 O ATOM 264 ND2 ASN A 14 -16.043 -9.900 -0.317 1.00 23.02 N ATOM 0 H ASN A 14 -13.883 -7.229 -3.485 1.00 15.14 H new ATOM 0 HA ASN A 14 -15.612 -9.367 -3.093 1.00 41.03 H new ATOM 0 HB2 ASN A 14 -14.135 -8.407 -1.367 1.00 14.41 H new ATOM 0 HB3 ASN A 14 -15.062 -6.920 -1.364 1.00 14.41 H new ATOM 0 HD21 ASN A 14 -16.647 -10.349 0.371 1.00 23.02 H new ATOM 0 HD22 ASN A 14 -15.420 -10.465 -0.895 1.00 23.02 H new ATOM 271 N VAL A 15 -17.182 -6.448 -3.046 1.00 53.00 N ATOM 272 CA VAL A 15 -18.487 -5.820 -3.216 1.00 32.20 C ATOM 273 C VAL A 15 -19.157 -6.285 -4.504 1.00 70.12 C ATOM 274 O VAL A 15 -20.235 -6.879 -4.476 1.00 20.11 O ATOM 275 CB VAL A 15 -18.373 -4.284 -3.235 1.00 20.30 C ATOM 276 CG1 VAL A 15 -19.753 -3.647 -3.281 1.00 51.44 C ATOM 277 CG2 VAL A 15 -17.590 -3.794 -2.026 1.00 53.23 C ATOM 0 H VAL A 15 -16.421 -5.795 -2.861 1.00 53.00 H new ATOM 0 HA VAL A 15 -19.096 -6.121 -2.364 1.00 32.20 H new ATOM 0 HB VAL A 15 -17.833 -3.987 -4.134 1.00 20.30 H new ATOM 0 HG11 VAL A 15 -19.653 -2.562 -3.294 1.00 51.44 H new ATOM 0 HG12 VAL A 15 -20.275 -3.974 -4.180 1.00 51.44 H new ATOM 0 HG13 VAL A 15 -20.322 -3.948 -2.402 1.00 51.44 H new ATOM 0 HG21 VAL A 15 -17.519 -2.707 -2.055 1.00 53.23 H new ATOM 0 HG22 VAL A 15 -18.101 -4.100 -1.113 1.00 53.23 H new ATOM 0 HG23 VAL A 15 -16.588 -4.224 -2.043 1.00 53.23 H new ATOM 287 N ARG A 16 -18.511 -6.011 -5.633 1.00 20.12 N ATOM 288 CA ARG A 16 -19.044 -6.401 -6.932 1.00 55.44 C ATOM 289 C ARG A 16 -19.409 -7.882 -6.949 1.00 30.24 C ATOM 290 O ARG A 16 -20.551 -8.248 -7.228 1.00 0.31 O ATOM 291 CB ARG A 16 -18.027 -6.103 -8.035 1.00 40.23 C ATOM 292 CG ARG A 16 -18.458 -6.589 -9.409 1.00 53.23 C ATOM 293 CD ARG A 16 -17.788 -5.792 -10.518 1.00 22.43 C ATOM 294 NE ARG A 16 -16.439 -6.275 -10.800 1.00 24.45 N ATOM 295 CZ ARG A 16 -15.768 -5.977 -11.907 1.00 24.45 C ATOM 296 NH1 ARG A 16 -16.318 -5.202 -12.830 1.00 45.35 N ATOM 297 NH2 ARG A 16 -14.544 -6.455 -12.091 1.00 25.42 N ATOM 0 H ARG A 16 -17.618 -5.520 -5.674 1.00 20.12 H new ATOM 0 HA ARG A 16 -19.948 -5.820 -7.114 1.00 55.44 H new ATOM 0 HB2 ARG A 16 -17.854 -5.028 -8.077 1.00 40.23 H new ATOM 0 HB3 ARG A 16 -17.076 -6.569 -7.776 1.00 40.23 H new ATOM 0 HG2 ARG A 16 -18.209 -7.645 -9.517 1.00 53.23 H new ATOM 0 HG3 ARG A 16 -19.541 -6.505 -9.503 1.00 53.23 H new ATOM 0 HD2 ARG A 16 -18.392 -5.853 -11.424 1.00 22.43 H new ATOM 0 HD3 ARG A 16 -17.745 -4.741 -10.234 1.00 22.43 H new ATOM 0 HE ARG A 16 -15.987 -6.874 -10.109 1.00 24.45 H new ATOM 0 HH11 ARG A 16 -17.259 -4.833 -12.691 1.00 45.35 H new ATOM 0 HH12 ARG A 16 -15.801 -4.975 -13.679 1.00 45.35 H new ATOM 0 HH21 ARG A 16 -14.118 -7.052 -11.382 1.00 25.42 H new ATOM 0 HH22 ARG A 16 -14.029 -6.226 -12.941 1.00 25.42 H new ATOM 311 N ASP A 17 -18.431 -8.730 -6.648 1.00 14.11 N ATOM 312 CA ASP A 17 -18.649 -10.172 -6.627 1.00 40.32 C ATOM 313 C ASP A 17 -19.858 -10.527 -5.767 1.00 4.43 C ATOM 314 O ASP A 17 -20.663 -11.382 -6.132 1.00 24.32 O ATOM 315 CB ASP A 17 -17.405 -10.889 -6.102 1.00 22.25 C ATOM 316 CG ASP A 17 -17.422 -12.375 -6.403 1.00 15.10 C ATOM 317 OD1 ASP A 17 -18.184 -13.107 -5.736 1.00 41.02 O ATOM 318 OD2 ASP A 17 -16.676 -12.806 -7.306 1.00 43.52 O ATOM 0 H ASP A 17 -17.480 -8.444 -6.415 1.00 14.11 H new ATOM 0 HA ASP A 17 -18.844 -10.500 -7.648 1.00 40.32 H new ATOM 0 HB2 ASP A 17 -16.516 -10.441 -6.547 1.00 22.25 H new ATOM 0 HB3 ASP A 17 -17.331 -10.740 -5.025 1.00 22.25 H new ATOM 323 N GLY A 18 -19.977 -9.863 -4.621 1.00 14.04 N ATOM 324 CA GLY A 18 -21.090 -10.123 -3.725 1.00 65.34 C ATOM 325 C GLY A 18 -22.414 -9.658 -4.296 1.00 54.31 C ATOM 326 O GLY A 18 -23.427 -10.348 -4.174 1.00 41.24 O ATOM 0 H GLY A 18 -19.323 -9.150 -4.297 1.00 14.04 H new ATOM 0 HA2 GLY A 18 -21.143 -11.192 -3.517 1.00 65.34 H new ATOM 0 HA3 GLY A 18 -20.912 -9.621 -2.774 1.00 65.34 H new ATOM 330 N ILE A 19 -22.409 -8.484 -4.919 1.00 3.01 N ATOM 331 CA ILE A 19 -23.619 -7.927 -5.510 1.00 35.35 C ATOM 332 C ILE A 19 -24.067 -8.743 -6.718 1.00 45.42 C ATOM 333 O ILE A 19 -25.262 -8.936 -6.941 1.00 70.11 O ATOM 334 CB ILE A 19 -23.414 -6.463 -5.940 1.00 10.12 C ATOM 335 CG1 ILE A 19 -23.025 -5.604 -4.735 1.00 35.15 C ATOM 336 CG2 ILE A 19 -24.675 -5.922 -6.598 1.00 22.32 C ATOM 337 CD1 ILE A 19 -22.285 -4.339 -5.108 1.00 12.24 C ATOM 0 H ILE A 19 -21.580 -7.900 -5.027 1.00 3.01 H new ATOM 0 HA ILE A 19 -24.391 -7.966 -4.742 1.00 35.35 H new ATOM 0 HB ILE A 19 -22.603 -6.424 -6.667 1.00 10.12 H new ATOM 0 HG12 ILE A 19 -23.926 -5.338 -4.182 1.00 35.15 H new ATOM 0 HG13 ILE A 19 -22.402 -6.195 -4.064 1.00 35.15 H new ATOM 0 HG21 ILE A 19 -24.514 -4.886 -6.896 1.00 22.32 H new ATOM 0 HG22 ILE A 19 -24.912 -6.520 -7.478 1.00 22.32 H new ATOM 0 HG23 ILE A 19 -25.504 -5.972 -5.892 1.00 22.32 H new ATOM 0 HD11 ILE A 19 -22.041 -3.780 -4.204 1.00 12.24 H new ATOM 0 HD12 ILE A 19 -21.366 -4.597 -5.634 1.00 12.24 H new ATOM 0 HD13 ILE A 19 -22.914 -3.727 -5.755 1.00 12.24 H new ATOM 349 N ILE A 20 -23.099 -9.219 -7.494 1.00 21.30 N ATOM 350 CA ILE A 20 -23.393 -10.016 -8.678 1.00 60.53 C ATOM 351 C ILE A 20 -23.769 -11.445 -8.300 1.00 62.10 C ATOM 352 O ILE A 20 -24.752 -11.993 -8.798 1.00 72.13 O ATOM 353 CB ILE A 20 -22.195 -10.052 -9.645 1.00 45.30 C ATOM 354 CG1 ILE A 20 -21.836 -8.635 -10.099 1.00 61.32 C ATOM 355 CG2 ILE A 20 -22.507 -10.935 -10.844 1.00 22.03 C ATOM 356 CD1 ILE A 20 -22.923 -7.968 -10.913 1.00 64.41 C ATOM 0 H ILE A 20 -22.105 -9.067 -7.324 1.00 21.30 H new ATOM 0 HA ILE A 20 -24.238 -9.540 -9.176 1.00 60.53 H new ATOM 0 HB ILE A 20 -21.337 -10.475 -9.122 1.00 45.30 H new ATOM 0 HG12 ILE A 20 -21.623 -8.024 -9.222 1.00 61.32 H new ATOM 0 HG13 ILE A 20 -20.921 -8.672 -10.691 1.00 61.32 H new ATOM 0 HG21 ILE A 20 -21.650 -10.950 -11.518 1.00 22.03 H new ATOM 0 HG22 ILE A 20 -22.719 -11.949 -10.504 1.00 22.03 H new ATOM 0 HG23 ILE A 20 -23.376 -10.540 -11.371 1.00 22.03 H new ATOM 0 HD11 ILE A 20 -22.600 -6.967 -11.200 1.00 64.41 H new ATOM 0 HD12 ILE A 20 -23.120 -8.557 -11.809 1.00 64.41 H new ATOM 0 HD13 ILE A 20 -23.833 -7.898 -10.317 1.00 64.41 H new ATOM 368 N LYS A 21 -22.980 -12.043 -7.414 1.00 31.52 N ATOM 369 CA LYS A 21 -23.230 -13.408 -6.965 1.00 12.14 C ATOM 370 C LYS A 21 -24.669 -13.567 -6.485 1.00 33.43 C ATOM 371 O LYS A 21 -25.484 -14.215 -7.141 1.00 71.12 O ATOM 372 CB LYS A 21 -22.262 -13.782 -5.840 1.00 60.11 C ATOM 373 CG LYS A 21 -22.478 -15.182 -5.292 1.00 61.23 C ATOM 374 CD LYS A 21 -21.568 -15.464 -4.108 1.00 75.11 C ATOM 375 CE LYS A 21 -21.618 -16.930 -3.704 1.00 43.40 C ATOM 376 NZ LYS A 21 -20.614 -17.249 -2.652 1.00 3.25 N ATOM 0 H LYS A 21 -22.162 -11.604 -6.992 1.00 31.52 H new ATOM 0 HA LYS A 21 -23.071 -14.077 -7.810 1.00 12.14 H new ATOM 0 HB2 LYS A 21 -21.240 -13.699 -6.209 1.00 60.11 H new ATOM 0 HB3 LYS A 21 -22.367 -13.063 -5.028 1.00 60.11 H new ATOM 0 HG2 LYS A 21 -23.518 -15.298 -4.988 1.00 61.23 H new ATOM 0 HG3 LYS A 21 -22.292 -15.914 -6.078 1.00 61.23 H new ATOM 0 HD2 LYS A 21 -20.544 -15.190 -4.361 1.00 75.11 H new ATOM 0 HD3 LYS A 21 -21.865 -14.842 -3.263 1.00 75.11 H new ATOM 0 HE2 LYS A 21 -22.616 -17.172 -3.339 1.00 43.40 H new ATOM 0 HE3 LYS A 21 -21.438 -17.554 -4.579 1.00 43.40 H new ATOM 0 HZ1 LYS A 21 -20.679 -18.257 -2.404 1.00 3.25 H new ATOM 0 HZ2 LYS A 21 -19.659 -17.042 -3.009 1.00 3.25 H new ATOM 0 HZ3 LYS A 21 -20.801 -16.672 -1.807 1.00 3.25 H new ATOM 421 N ALA A 25 -29.016 -6.388 -2.374 1.00 72.23 N ATOM 422 CA ALA A 25 -29.636 -6.391 -1.055 1.00 60.40 C ATOM 423 C ALA A 25 -28.649 -6.847 0.014 1.00 21.31 C ATOM 424 O ALA A 25 -28.725 -6.421 1.166 1.00 15.15 O ATOM 425 CB ALA A 25 -30.869 -7.284 -1.053 1.00 45.51 C ATOM 0 HA ALA A 25 -29.940 -5.371 -0.821 1.00 60.40 H new ATOM 0 HB1 ALA A 25 -31.322 -7.277 -0.062 1.00 45.51 H new ATOM 0 HB2 ALA A 25 -31.588 -6.913 -1.783 1.00 45.51 H new ATOM 0 HB3 ALA A 25 -30.581 -8.303 -1.313 1.00 45.51 H new ATOM 431 N VAL A 26 -27.722 -7.717 -0.375 1.00 31.21 N ATOM 432 CA VAL A 26 -26.719 -8.231 0.550 1.00 13.15 C ATOM 433 C VAL A 26 -25.989 -7.094 1.256 1.00 12.23 C ATOM 434 O VAL A 26 -25.889 -7.074 2.483 1.00 52.54 O ATOM 435 CB VAL A 26 -25.688 -9.117 -0.174 1.00 54.31 C ATOM 436 CG1 VAL A 26 -24.647 -9.636 0.806 1.00 15.30 C ATOM 437 CG2 VAL A 26 -26.383 -10.268 -0.886 1.00 43.44 C ATOM 0 H VAL A 26 -27.645 -8.081 -1.325 1.00 31.21 H new ATOM 0 HA VAL A 26 -27.249 -8.833 1.288 1.00 13.15 H new ATOM 0 HB VAL A 26 -25.176 -8.512 -0.923 1.00 54.31 H new ATOM 0 HG11 VAL A 26 -23.927 -10.260 0.276 1.00 15.30 H new ATOM 0 HG12 VAL A 26 -24.129 -8.795 1.266 1.00 15.30 H new ATOM 0 HG13 VAL A 26 -25.138 -10.226 1.580 1.00 15.30 H new ATOM 0 HG21 VAL A 26 -25.640 -10.884 -1.392 1.00 43.44 H new ATOM 0 HG22 VAL A 26 -26.922 -10.874 -0.158 1.00 43.44 H new ATOM 0 HG23 VAL A 26 -27.086 -9.871 -1.619 1.00 43.44 H new ATOM 447 N ALA A 27 -25.481 -6.148 0.473 1.00 23.11 N ATOM 448 CA ALA A 27 -24.762 -5.006 1.023 1.00 3.31 C ATOM 449 C ALA A 27 -25.700 -4.089 1.801 1.00 60.13 C ATOM 450 O ALA A 27 -25.392 -3.672 2.917 1.00 12.32 O ATOM 451 CB ALA A 27 -24.068 -4.233 -0.089 1.00 71.33 C ATOM 0 H ALA A 27 -25.554 -6.150 -0.544 1.00 23.11 H new ATOM 0 HA ALA A 27 -24.008 -5.382 1.714 1.00 3.31 H new ATOM 0 HB1 ALA A 27 -23.535 -3.383 0.337 1.00 71.33 H new ATOM 0 HB2 ALA A 27 -23.360 -4.886 -0.599 1.00 71.33 H new ATOM 0 HB3 ALA A 27 -24.811 -3.875 -0.802 1.00 71.33 H new ATOM 457 N VAL A 28 -26.846 -3.779 1.203 1.00 11.52 N ATOM 458 CA VAL A 28 -27.830 -2.911 1.840 1.00 22.22 C ATOM 459 C VAL A 28 -28.221 -3.441 3.215 1.00 5.45 C ATOM 460 O VAL A 28 -28.355 -2.677 4.172 1.00 52.35 O ATOM 461 CB VAL A 28 -29.098 -2.772 0.977 1.00 43.41 C ATOM 462 CG1 VAL A 28 -30.112 -1.868 1.660 1.00 14.32 C ATOM 463 CG2 VAL A 28 -28.745 -2.242 -0.405 1.00 31.10 C ATOM 0 H VAL A 28 -27.116 -4.116 0.279 1.00 11.52 H new ATOM 0 HA VAL A 28 -27.364 -1.931 1.949 1.00 22.22 H new ATOM 0 HB VAL A 28 -29.547 -3.758 0.860 1.00 43.41 H new ATOM 0 HG11 VAL A 28 -31.001 -1.782 1.036 1.00 14.32 H new ATOM 0 HG12 VAL A 28 -30.386 -2.293 2.625 1.00 14.32 H new ATOM 0 HG13 VAL A 28 -29.676 -0.880 1.809 1.00 14.32 H new ATOM 0 HG21 VAL A 28 -29.652 -2.150 -1.002 1.00 31.10 H new ATOM 0 HG22 VAL A 28 -28.272 -1.264 -0.310 1.00 31.10 H new ATOM 0 HG23 VAL A 28 -28.057 -2.932 -0.894 1.00 31.10 H new ATOM 473 N VAL A 29 -28.401 -4.754 3.309 1.00 60.34 N ATOM 474 CA VAL A 29 -28.775 -5.387 4.568 1.00 62.34 C ATOM 475 C VAL A 29 -27.570 -5.528 5.491 1.00 1.31 C ATOM 476 O VAL A 29 -27.621 -5.143 6.659 1.00 72.24 O ATOM 477 CB VAL A 29 -29.394 -6.778 4.334 1.00 21.25 C ATOM 478 CG1 VAL A 29 -29.775 -7.422 5.659 1.00 64.32 C ATOM 479 CG2 VAL A 29 -30.602 -6.676 3.415 1.00 24.11 C ATOM 0 H VAL A 29 -28.294 -5.401 2.528 1.00 60.34 H new ATOM 0 HA VAL A 29 -29.516 -4.742 5.039 1.00 62.34 H new ATOM 0 HB VAL A 29 -28.650 -7.411 3.850 1.00 21.25 H new ATOM 0 HG11 VAL A 29 -30.211 -8.404 5.474 1.00 64.32 H new ATOM 0 HG12 VAL A 29 -28.886 -7.531 6.280 1.00 64.32 H new ATOM 0 HG13 VAL A 29 -30.502 -6.793 6.173 1.00 64.32 H new ATOM 0 HG21 VAL A 29 -31.027 -7.668 3.261 1.00 24.11 H new ATOM 0 HG22 VAL A 29 -31.351 -6.027 3.869 1.00 24.11 H new ATOM 0 HG23 VAL A 29 -30.295 -6.259 2.456 1.00 24.11 H new ATOM 489 N GLY A 30 -26.484 -6.081 4.959 1.00 74.50 N ATOM 490 CA GLY A 30 -25.281 -6.263 5.749 1.00 2.32 C ATOM 491 C GLY A 30 -24.787 -4.966 6.359 1.00 11.14 C ATOM 492 O GLY A 30 -24.567 -4.886 7.568 1.00 61.15 O ATOM 0 H GLY A 30 -26.416 -6.406 3.995 1.00 74.50 H new ATOM 0 HA2 GLY A 30 -25.477 -6.983 6.543 1.00 2.32 H new ATOM 0 HA3 GLY A 30 -24.498 -6.687 5.121 1.00 2.32 H new ATOM 496 N GLN A 31 -24.612 -3.949 5.522 1.00 5.10 N ATOM 497 CA GLN A 31 -24.138 -2.650 5.987 1.00 71.43 C ATOM 498 C GLN A 31 -25.026 -2.116 7.105 1.00 13.52 C ATOM 499 O GLN A 31 -24.566 -1.894 8.225 1.00 62.33 O ATOM 500 CB GLN A 31 -24.101 -1.653 4.828 1.00 42.13 C ATOM 501 CG GLN A 31 -22.965 -1.900 3.848 1.00 22.33 C ATOM 502 CD GLN A 31 -21.622 -1.448 4.386 1.00 3.40 C ATOM 503 OE1 GLN A 31 -21.532 -0.456 5.111 1.00 73.21 O ATOM 504 NE2 GLN A 31 -20.567 -2.174 4.033 1.00 13.32 N ATOM 0 H GLN A 31 -24.791 -3.999 4.519 1.00 5.10 H new ATOM 0 HA GLN A 31 -23.129 -2.778 6.379 1.00 71.43 H new ATOM 0 HB2 GLN A 31 -25.049 -1.697 4.291 1.00 42.13 H new ATOM 0 HB3 GLN A 31 -24.010 -0.644 5.230 1.00 42.13 H new ATOM 0 HG2 GLN A 31 -22.918 -2.963 3.612 1.00 22.33 H new ATOM 0 HG3 GLN A 31 -23.174 -1.375 2.916 1.00 22.33 H new ATOM 0 HE21 GLN A 31 -20.687 -2.988 3.431 1.00 13.32 H new ATOM 0 HE22 GLN A 31 -19.637 -1.917 4.364 1.00 13.32 H new ATOM 513 N ALA A 32 -26.302 -1.909 6.794 1.00 62.42 N ATOM 514 CA ALA A 32 -27.255 -1.402 7.773 1.00 22.01 C ATOM 515 C ALA A 32 -27.243 -2.249 9.041 1.00 62.21 C ATOM 516 O ALA A 32 -27.177 -1.722 10.151 1.00 55.53 O ATOM 517 CB ALA A 32 -28.654 -1.362 7.176 1.00 2.42 C ATOM 0 H ALA A 32 -26.699 -2.085 5.871 1.00 62.42 H new ATOM 0 HA ALA A 32 -26.957 -0.388 8.042 1.00 22.01 H new ATOM 0 HB1 ALA A 32 -29.356 -0.981 7.918 1.00 2.42 H new ATOM 0 HB2 ALA A 32 -28.659 -0.709 6.304 1.00 2.42 H new ATOM 0 HB3 ALA A 32 -28.951 -2.367 6.878 1.00 2.42 H new ATOM 523 N ALA A 33 -27.307 -3.565 8.868 1.00 20.42 N ATOM 524 CA ALA A 33 -27.302 -4.485 9.999 1.00 71.32 C ATOM 525 C ALA A 33 -26.051 -4.302 10.851 1.00 43.43 C ATOM 526 O ALA A 33 -26.124 -4.258 12.079 1.00 3.33 O ATOM 527 CB ALA A 33 -27.404 -5.923 9.510 1.00 1.31 C ATOM 0 H ALA A 33 -27.363 -4.018 7.956 1.00 20.42 H new ATOM 0 HA ALA A 33 -28.169 -4.261 10.621 1.00 71.32 H new ATOM 0 HB1 ALA A 33 -27.399 -6.599 10.365 1.00 1.31 H new ATOM 0 HB2 ALA A 33 -28.330 -6.052 8.950 1.00 1.31 H new ATOM 0 HB3 ALA A 33 -26.556 -6.149 8.864 1.00 1.31 H new ATOM 533 N THR A 34 -24.901 -4.195 10.191 1.00 74.32 N ATOM 534 CA THR A 34 -23.634 -4.018 10.888 1.00 63.34 C ATOM 535 C THR A 34 -23.569 -2.659 11.575 1.00 70.13 C ATOM 536 O THR A 34 -23.059 -2.539 12.689 1.00 71.12 O ATOM 537 CB THR A 34 -22.440 -4.151 9.924 1.00 44.24 C ATOM 538 OG1 THR A 34 -22.461 -5.435 9.291 1.00 61.22 O ATOM 539 CG2 THR A 34 -21.123 -3.966 10.664 1.00 75.22 C ATOM 0 H THR A 34 -24.822 -4.228 9.175 1.00 74.32 H new ATOM 0 HA THR A 34 -23.574 -4.805 11.640 1.00 63.34 H new ATOM 0 HB THR A 34 -22.525 -3.372 9.166 1.00 44.24 H new ATOM 0 HG1 THR A 34 -23.170 -5.455 8.615 1.00 61.22 H new ATOM 0 HG21 THR A 34 -20.295 -4.064 9.962 1.00 75.22 H new ATOM 0 HG22 THR A 34 -21.097 -2.976 11.119 1.00 75.22 H new ATOM 0 HG23 THR A 34 -21.032 -4.725 11.441 1.00 75.22 H new ATOM 547 N VAL A 35 -24.090 -1.637 10.904 1.00 43.52 N ATOM 548 CA VAL A 35 -24.093 -0.285 11.451 1.00 23.11 C ATOM 549 C VAL A 35 -25.035 -0.178 12.644 1.00 15.44 C ATOM 550 O VAL A 35 -24.721 0.474 13.641 1.00 74.41 O ATOM 551 CB VAL A 35 -24.507 0.750 10.388 1.00 32.15 C ATOM 552 CG1 VAL A 35 -24.516 2.150 10.982 1.00 44.53 C ATOM 553 CG2 VAL A 35 -23.580 0.677 9.185 1.00 51.44 C ATOM 0 H VAL A 35 -24.516 -1.719 9.981 1.00 43.52 H new ATOM 0 HA VAL A 35 -23.075 -0.072 11.776 1.00 23.11 H new ATOM 0 HB VAL A 35 -25.518 0.518 10.053 1.00 32.15 H new ATOM 0 HG11 VAL A 35 -24.811 2.868 10.217 1.00 44.53 H new ATOM 0 HG12 VAL A 35 -25.225 2.190 11.809 1.00 44.53 H new ATOM 0 HG13 VAL A 35 -23.519 2.397 11.346 1.00 44.53 H new ATOM 0 HG21 VAL A 35 -23.887 1.415 8.444 1.00 51.44 H new ATOM 0 HG22 VAL A 35 -22.557 0.883 9.501 1.00 51.44 H new ATOM 0 HG23 VAL A 35 -23.630 -0.320 8.747 1.00 51.44 H new ATOM 563 N VAL A 36 -26.193 -0.822 12.537 1.00 54.42 N ATOM 564 CA VAL A 36 -27.183 -0.800 13.608 1.00 65.13 C ATOM 565 C VAL A 36 -26.755 -1.691 14.769 1.00 70.25 C ATOM 566 O VAL A 36 -26.757 -1.268 15.925 1.00 44.44 O ATOM 567 CB VAL A 36 -28.564 -1.259 13.105 1.00 53.42 C ATOM 568 CG1 VAL A 36 -29.577 -1.246 14.240 1.00 62.42 C ATOM 569 CG2 VAL A 36 -29.030 -0.380 11.954 1.00 14.30 C ATOM 0 H VAL A 36 -26.469 -1.366 11.719 1.00 54.42 H new ATOM 0 HA VAL A 36 -27.255 0.232 13.952 1.00 65.13 H new ATOM 0 HB VAL A 36 -28.477 -2.282 12.739 1.00 53.42 H new ATOM 0 HG11 VAL A 36 -30.547 -1.573 13.866 1.00 62.42 H new ATOM 0 HG12 VAL A 36 -29.247 -1.920 15.030 1.00 62.42 H new ATOM 0 HG13 VAL A 36 -29.664 -0.235 14.638 1.00 62.42 H new ATOM 0 HG21 VAL A 36 -30.008 -0.718 11.611 1.00 14.30 H new ATOM 0 HG22 VAL A 36 -29.102 0.654 12.292 1.00 14.30 H new ATOM 0 HG23 VAL A 36 -28.315 -0.445 11.134 1.00 14.30 H new ATOM 579 N LYS A 37 -26.388 -2.929 14.453 1.00 14.23 N ATOM 580 CA LYS A 37 -25.956 -3.881 15.469 1.00 61.41 C ATOM 581 C LYS A 37 -24.616 -3.466 16.069 1.00 73.42 C ATOM 582 O LYS A 37 -24.537 -3.100 17.242 1.00 71.42 O ATOM 583 CB LYS A 37 -25.845 -5.284 14.867 1.00 22.25 C ATOM 584 CG LYS A 37 -25.891 -6.395 15.902 1.00 20.03 C ATOM 585 CD LYS A 37 -24.611 -7.214 15.899 1.00 71.14 C ATOM 586 CE LYS A 37 -24.786 -8.525 16.649 1.00 33.34 C ATOM 587 NZ LYS A 37 -23.604 -8.840 17.499 1.00 74.33 N ATOM 0 H LYS A 37 -26.381 -3.296 13.501 1.00 14.23 H new ATOM 0 HA LYS A 37 -26.702 -3.891 16.264 1.00 61.41 H new ATOM 0 HB2 LYS A 37 -26.656 -5.429 14.154 1.00 22.25 H new ATOM 0 HB3 LYS A 37 -24.912 -5.358 14.308 1.00 22.25 H new ATOM 0 HG2 LYS A 37 -26.047 -5.965 16.892 1.00 20.03 H new ATOM 0 HG3 LYS A 37 -26.741 -7.046 15.700 1.00 20.03 H new ATOM 0 HD2 LYS A 37 -24.311 -7.419 14.871 1.00 71.14 H new ATOM 0 HD3 LYS A 37 -23.807 -6.637 16.356 1.00 71.14 H new ATOM 0 HE2 LYS A 37 -25.678 -8.470 17.273 1.00 33.34 H new ATOM 0 HE3 LYS A 37 -24.946 -9.333 15.935 1.00 33.34 H new ATOM 0 HZ1 LYS A 37 -23.762 -9.741 17.994 1.00 74.33 H new ATOM 0 HZ2 LYS A 37 -22.757 -8.918 16.901 1.00 74.33 H new ATOM 0 HZ3 LYS A 37 -23.466 -8.081 18.197 1.00 74.33 H new