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 X(o=0,f=-0.046) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0583 K(o=-0.058,f=-0.69) USER MOD Single : A 34 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 0.741 -4.513 -1.306 1.00 35.21 N ATOM 50 CA LYS A 3 -0.100 -5.175 -0.315 1.00 72.24 C ATOM 51 C LYS A 3 -1.419 -4.431 -0.137 1.00 14.43 C ATOM 52 O LYS A 3 -2.486 -4.952 -0.462 1.00 72.34 O ATOM 53 CB LYS A 3 0.632 -5.267 1.025 1.00 13.24 C ATOM 54 CG LYS A 3 0.165 -6.421 1.895 1.00 23.33 C ATOM 55 CD LYS A 3 -0.404 -5.930 3.216 1.00 71.14 C ATOM 56 CE LYS A 3 -0.849 -7.088 4.096 1.00 2.11 C ATOM 57 NZ LYS A 3 0.012 -7.229 5.303 1.00 70.40 N ATOM 0 HA LYS A 3 -0.317 -6.182 -0.673 1.00 72.24 H new ATOM 0 HB2 LYS A 3 1.701 -5.372 0.839 1.00 13.24 H new ATOM 0 HB3 LYS A 3 0.494 -4.333 1.570 1.00 13.24 H new ATOM 0 HG2 LYS A 3 -0.593 -6.995 1.363 1.00 23.33 H new ATOM 0 HG3 LYS A 3 1.000 -7.095 2.086 1.00 23.33 H new ATOM 0 HD2 LYS A 3 0.348 -5.341 3.741 1.00 71.14 H new ATOM 0 HD3 LYS A 3 -1.250 -5.270 3.026 1.00 71.14 H new ATOM 0 HE2 LYS A 3 -1.883 -6.934 4.404 1.00 2.11 H new ATOM 0 HE3 LYS A 3 -0.822 -8.013 3.520 1.00 2.11 H new ATOM 0 HZ1 LYS A 3 -0.323 -8.029 5.877 1.00 70.40 H new ATOM 0 HZ2 LYS A 3 0.995 -7.401 5.010 1.00 70.40 H new ATOM 0 HZ3 LYS A 3 -0.034 -6.356 5.866 1.00 70.40 H new ATOM 71 N ILE A 4 -1.339 -3.210 0.381 1.00 41.51 N ATOM 72 CA ILE A 4 -2.527 -2.393 0.600 1.00 64.32 C ATOM 73 C ILE A 4 -3.373 -2.303 -0.666 1.00 24.33 C ATOM 74 O ILE A 4 -4.569 -2.594 -0.648 1.00 22.13 O ATOM 75 CB ILE A 4 -2.155 -0.971 1.058 1.00 53.40 C ATOM 76 CG1 ILE A 4 -1.253 -1.028 2.292 1.00 2.12 C ATOM 77 CG2 ILE A 4 -3.411 -0.164 1.351 1.00 55.33 C ATOM 78 CD1 ILE A 4 0.136 -0.480 2.051 1.00 43.31 C ATOM 0 H ILE A 4 -0.464 -2.764 0.657 1.00 41.51 H new ATOM 0 HA ILE A 4 -3.105 -2.879 1.386 1.00 64.32 H new ATOM 0 HB ILE A 4 -1.608 -0.478 0.254 1.00 53.40 H new ATOM 0 HG12 ILE A 4 -1.721 -0.466 3.100 1.00 2.12 H new ATOM 0 HG13 ILE A 4 -1.174 -2.062 2.627 1.00 2.12 H new ATOM 0 HG21 ILE A 4 -3.132 0.839 1.674 1.00 55.33 H new ATOM 0 HG22 ILE A 4 -4.020 -0.099 0.449 1.00 55.33 H new ATOM 0 HG23 ILE A 4 -3.982 -0.653 2.140 1.00 55.33 H new ATOM 0 HD11 ILE A 4 0.720 -0.552 2.969 1.00 43.31 H new ATOM 0 HD12 ILE A 4 0.623 -1.056 1.265 1.00 43.31 H new ATOM 0 HD13 ILE A 4 0.067 0.564 1.746 1.00 43.31 H new ATOM 90 N PHE A 5 -2.743 -1.900 -1.764 1.00 60.03 N ATOM 91 CA PHE A 5 -3.437 -1.772 -3.040 1.00 74.42 C ATOM 92 C PHE A 5 -4.187 -3.057 -3.382 1.00 41.23 C ATOM 93 O PHE A 5 -5.410 -3.058 -3.519 1.00 55.13 O ATOM 94 CB PHE A 5 -2.444 -1.436 -4.154 1.00 70.13 C ATOM 95 CG PHE A 5 -2.636 -0.064 -4.734 1.00 42.03 C ATOM 96 CD1 PHE A 5 -3.692 0.199 -5.592 1.00 64.32 C ATOM 97 CD2 PHE A 5 -1.760 0.963 -4.422 1.00 43.21 C ATOM 98 CE1 PHE A 5 -3.871 1.460 -6.127 1.00 52.34 C ATOM 99 CE2 PHE A 5 -1.935 2.227 -4.954 1.00 25.22 C ATOM 100 CZ PHE A 5 -2.991 2.475 -5.809 1.00 3.45 C ATOM 0 H PHE A 5 -1.753 -1.656 -1.796 1.00 60.03 H new ATOM 0 HA PHE A 5 -4.161 -0.962 -2.952 1.00 74.42 H new ATOM 0 HB2 PHE A 5 -1.430 -1.518 -3.763 1.00 70.13 H new ATOM 0 HB3 PHE A 5 -2.539 -2.175 -4.950 1.00 70.13 H new ATOM 0 HD1 PHE A 5 -4.383 -0.591 -5.845 1.00 64.32 H new ATOM 0 HD2 PHE A 5 -0.931 0.774 -3.756 1.00 43.21 H new ATOM 0 HE1 PHE A 5 -4.699 1.652 -6.794 1.00 52.34 H new ATOM 0 HE2 PHE A 5 -1.247 3.020 -4.701 1.00 25.22 H new ATOM 0 HZ PHE A 5 -3.128 3.461 -6.228 1.00 3.45 H new ATOM 110 N LYS A 6 -3.444 -4.150 -3.520 1.00 3.43 N ATOM 111 CA LYS A 6 -4.035 -5.442 -3.845 1.00 53.11 C ATOM 112 C LYS A 6 -5.149 -5.793 -2.864 1.00 55.32 C ATOM 113 O LYS A 6 -6.202 -6.296 -3.258 1.00 10.21 O ATOM 114 CB LYS A 6 -2.964 -6.535 -3.829 1.00 53.20 C ATOM 115 CG LYS A 6 -3.350 -7.776 -4.616 1.00 4.33 C ATOM 116 CD LYS A 6 -3.237 -7.544 -6.113 1.00 55.32 C ATOM 117 CE LYS A 6 -3.777 -8.727 -6.902 1.00 42.24 C ATOM 118 NZ LYS A 6 -3.518 -8.584 -8.362 1.00 25.51 N ATOM 0 H LYS A 6 -2.430 -4.166 -3.412 1.00 3.43 H new ATOM 0 HA LYS A 6 -4.463 -5.376 -4.845 1.00 53.11 H new ATOM 0 HB2 LYS A 6 -2.038 -6.130 -4.236 1.00 53.20 H new ATOM 0 HB3 LYS A 6 -2.761 -6.818 -2.796 1.00 53.20 H new ATOM 0 HG2 LYS A 6 -2.707 -8.607 -4.326 1.00 4.33 H new ATOM 0 HG3 LYS A 6 -4.372 -8.062 -4.367 1.00 4.33 H new ATOM 0 HD2 LYS A 6 -3.786 -6.643 -6.385 1.00 55.32 H new ATOM 0 HD3 LYS A 6 -2.194 -7.374 -6.378 1.00 55.32 H new ATOM 0 HE2 LYS A 6 -3.316 -9.646 -6.540 1.00 42.24 H new ATOM 0 HE3 LYS A 6 -4.850 -8.819 -6.731 1.00 42.24 H new ATOM 0 HZ1 LYS A 6 -3.901 -9.410 -8.865 1.00 25.51 H new ATOM 0 HZ2 LYS A 6 -3.979 -7.720 -8.713 1.00 25.51 H new ATOM 0 HZ3 LYS A 6 -2.493 -8.522 -8.528 1.00 25.51 H new ATOM 132 N LYS A 7 -4.912 -5.523 -1.585 1.00 40.00 N ATOM 133 CA LYS A 7 -5.896 -5.807 -0.547 1.00 62.21 C ATOM 134 C LYS A 7 -7.175 -5.009 -0.777 1.00 0.43 C ATOM 135 O LYS A 7 -8.229 -5.577 -1.064 1.00 50.31 O ATOM 136 CB LYS A 7 -5.320 -5.482 0.833 1.00 21.40 C ATOM 137 CG LYS A 7 -6.332 -5.608 1.959 1.00 4.40 C ATOM 138 CD LYS A 7 -5.678 -6.084 3.245 1.00 31.14 C ATOM 139 CE LYS A 7 -5.514 -4.947 4.242 1.00 42.33 C ATOM 140 NZ LYS A 7 -4.481 -3.968 3.801 1.00 32.33 N ATOM 0 H LYS A 7 -4.046 -5.107 -1.242 1.00 40.00 H new ATOM 0 HA LYS A 7 -6.138 -6.869 -0.592 1.00 62.21 H new ATOM 0 HB2 LYS A 7 -4.481 -6.148 1.033 1.00 21.40 H new ATOM 0 HB3 LYS A 7 -4.925 -4.466 0.823 1.00 21.40 H new ATOM 0 HG2 LYS A 7 -6.811 -4.644 2.129 1.00 4.40 H new ATOM 0 HG3 LYS A 7 -7.116 -6.307 1.668 1.00 4.40 H new ATOM 0 HD2 LYS A 7 -6.282 -6.875 3.690 1.00 31.14 H new ATOM 0 HD3 LYS A 7 -4.703 -6.515 3.020 1.00 31.14 H new ATOM 0 HE2 LYS A 7 -6.468 -4.436 4.370 1.00 42.33 H new ATOM 0 HE3 LYS A 7 -5.237 -5.354 5.215 1.00 42.33 H new ATOM 0 HZ1 LYS A 7 -4.399 -3.209 4.507 1.00 32.33 H new ATOM 0 HZ2 LYS A 7 -3.565 -4.450 3.703 1.00 32.33 H new ATOM 0 HZ3 LYS A 7 -4.757 -3.561 2.885 1.00 32.33 H new ATOM 154 N ILE A 8 -7.075 -3.690 -0.649 1.00 44.13 N ATOM 155 CA ILE A 8 -8.223 -2.814 -0.846 1.00 33.33 C ATOM 156 C ILE A 8 -8.912 -3.100 -2.176 1.00 24.50 C ATOM 157 O ILE A 8 -10.139 -3.112 -2.261 1.00 11.44 O ATOM 158 CB ILE A 8 -7.814 -1.330 -0.801 1.00 71.21 C ATOM 159 CG1 ILE A 8 -7.117 -1.011 0.523 1.00 43.52 C ATOM 160 CG2 ILE A 8 -9.032 -0.439 -0.993 1.00 71.01 C ATOM 161 CD1 ILE A 8 -8.002 -1.203 1.734 1.00 30.11 C ATOM 0 H ILE A 8 -6.210 -3.205 -0.410 1.00 44.13 H new ATOM 0 HA ILE A 8 -8.917 -3.016 -0.030 1.00 33.33 H new ATOM 0 HB ILE A 8 -7.115 -1.136 -1.614 1.00 71.21 H new ATOM 0 HG12 ILE A 8 -6.236 -1.646 0.623 1.00 43.52 H new ATOM 0 HG13 ILE A 8 -6.766 0.021 0.500 1.00 43.52 H new ATOM 0 HG21 ILE A 8 -8.727 0.607 -0.959 1.00 71.01 H new ATOM 0 HG22 ILE A 8 -9.490 -0.652 -1.959 1.00 71.01 H new ATOM 0 HG23 ILE A 8 -9.753 -0.633 -0.199 1.00 71.01 H new ATOM 0 HD11 ILE A 8 -7.442 -0.959 2.636 1.00 30.11 H new ATOM 0 HD12 ILE A 8 -8.870 -0.549 1.657 1.00 30.11 H new ATOM 0 HD13 ILE A 8 -8.333 -2.241 1.782 1.00 30.11 H new ATOM 173 N GLU A 9 -8.112 -3.333 -3.212 1.00 63.20 N ATOM 174 CA GLU A 9 -8.645 -3.621 -4.538 1.00 41.34 C ATOM 175 C GLU A 9 -9.426 -4.932 -4.538 1.00 44.25 C ATOM 176 O GLU A 9 -10.555 -4.995 -5.024 1.00 35.35 O ATOM 177 CB GLU A 9 -7.512 -3.689 -5.564 1.00 65.21 C ATOM 178 CG GLU A 9 -7.970 -4.109 -6.951 1.00 0.14 C ATOM 179 CD GLU A 9 -7.049 -3.608 -8.046 1.00 63.21 C ATOM 180 OE1 GLU A 9 -7.021 -2.383 -8.285 1.00 73.02 O ATOM 181 OE2 GLU A 9 -6.355 -4.443 -8.664 1.00 42.31 O ATOM 0 H GLU A 9 -7.093 -3.328 -3.158 1.00 63.20 H new ATOM 0 HA GLU A 9 -9.325 -2.814 -4.811 1.00 41.34 H new ATOM 0 HB2 GLU A 9 -7.033 -2.712 -5.629 1.00 65.21 H new ATOM 0 HB3 GLU A 9 -6.756 -4.391 -5.212 1.00 65.21 H new ATOM 0 HG2 GLU A 9 -8.025 -5.197 -6.997 1.00 0.14 H new ATOM 0 HG3 GLU A 9 -8.977 -3.731 -7.127 1.00 0.14 H new ATOM 188 N LYS A 10 -8.815 -5.977 -3.991 1.00 63.34 N ATOM 189 CA LYS A 10 -9.450 -7.288 -3.927 1.00 14.15 C ATOM 190 C LYS A 10 -10.702 -7.243 -3.057 1.00 15.25 C ATOM 191 O LYS A 10 -11.803 -7.545 -3.518 1.00 62.35 O ATOM 192 CB LYS A 10 -8.471 -8.326 -3.375 1.00 65.12 C ATOM 193 CG LYS A 10 -7.516 -8.877 -4.420 1.00 42.44 C ATOM 194 CD LYS A 10 -8.210 -9.862 -5.345 1.00 63.53 C ATOM 195 CE LYS A 10 -7.225 -10.859 -5.937 1.00 70.31 C ATOM 196 NZ LYS A 10 -7.376 -10.978 -7.414 1.00 32.32 N ATOM 0 H LYS A 10 -7.880 -5.942 -3.585 1.00 63.34 H new ATOM 0 HA LYS A 10 -9.740 -7.573 -4.938 1.00 14.15 H new ATOM 0 HB2 LYS A 10 -7.893 -7.875 -2.568 1.00 65.12 H new ATOM 0 HB3 LYS A 10 -9.036 -9.151 -2.940 1.00 65.12 H new ATOM 0 HG2 LYS A 10 -7.103 -8.056 -5.006 1.00 42.44 H new ATOM 0 HG3 LYS A 10 -6.678 -9.369 -3.925 1.00 42.44 H new ATOM 0 HD2 LYS A 10 -8.984 -10.397 -4.794 1.00 63.53 H new ATOM 0 HD3 LYS A 10 -8.708 -9.319 -6.149 1.00 63.53 H new ATOM 0 HE2 LYS A 10 -6.207 -10.549 -5.700 1.00 70.31 H new ATOM 0 HE3 LYS A 10 -7.376 -11.835 -5.477 1.00 70.31 H new ATOM 0 HZ1 LYS A 10 -6.687 -11.667 -7.779 1.00 32.32 H new ATOM 0 HZ2 LYS A 10 -8.339 -11.299 -7.640 1.00 32.32 H new ATOM 0 HZ3 LYS A 10 -7.207 -10.052 -7.856 1.00 32.32 H new ATOM 210 N VAL A 11 -10.528 -6.862 -1.795 1.00 43.20 N ATOM 211 CA VAL A 11 -11.644 -6.774 -0.861 1.00 70.52 C ATOM 212 C VAL A 11 -12.742 -5.864 -1.400 1.00 64.14 C ATOM 213 O VAL A 11 -13.921 -6.054 -1.106 1.00 61.51 O ATOM 214 CB VAL A 11 -11.187 -6.250 0.513 1.00 65.40 C ATOM 215 CG1 VAL A 11 -10.743 -4.799 0.410 1.00 23.14 C ATOM 216 CG2 VAL A 11 -12.299 -6.405 1.539 1.00 21.10 C ATOM 0 H VAL A 11 -9.624 -6.609 -1.396 1.00 43.20 H new ATOM 0 HA VAL A 11 -12.038 -7.784 -0.744 1.00 70.52 H new ATOM 0 HB VAL A 11 -10.334 -6.843 0.844 1.00 65.40 H new ATOM 0 HG11 VAL A 11 -10.424 -4.446 1.390 1.00 23.14 H new ATOM 0 HG12 VAL A 11 -9.913 -4.722 -0.292 1.00 23.14 H new ATOM 0 HG13 VAL A 11 -11.574 -4.188 0.057 1.00 23.14 H new ATOM 0 HG21 VAL A 11 -11.959 -6.030 2.504 1.00 21.10 H new ATOM 0 HG22 VAL A 11 -13.173 -5.838 1.217 1.00 21.10 H new ATOM 0 HG23 VAL A 11 -12.564 -7.458 1.632 1.00 21.10 H new ATOM 226 N GLY A 12 -12.345 -4.873 -2.193 1.00 61.01 N ATOM 227 CA GLY A 12 -13.307 -3.947 -2.762 1.00 31.43 C ATOM 228 C GLY A 12 -14.116 -4.568 -3.884 1.00 22.14 C ATOM 229 O GLY A 12 -15.315 -4.317 -4.006 1.00 22.11 O ATOM 0 H GLY A 12 -11.374 -4.695 -2.451 1.00 61.01 H new ATOM 0 HA2 GLY A 12 -13.982 -3.603 -1.979 1.00 31.43 H new ATOM 0 HA3 GLY A 12 -12.782 -3.069 -3.139 1.00 31.43 H new ATOM 233 N ARG A 13 -13.459 -5.380 -4.706 1.00 4.52 N ATOM 234 CA ARG A 13 -14.124 -6.035 -5.825 1.00 63.41 C ATOM 235 C ARG A 13 -14.900 -7.262 -5.353 1.00 43.35 C ATOM 236 O ARG A 13 -15.934 -7.609 -5.921 1.00 34.52 O ATOM 237 CB ARG A 13 -13.100 -6.443 -6.886 1.00 70.51 C ATOM 238 CG ARG A 13 -13.724 -6.842 -8.213 1.00 74.43 C ATOM 239 CD ARG A 13 -12.750 -6.657 -9.366 1.00 1.53 C ATOM 240 NE ARG A 13 -13.059 -5.469 -10.158 1.00 30.30 N ATOM 241 CZ ARG A 13 -12.336 -5.071 -11.199 1.00 24.35 C ATOM 242 NH1 ARG A 13 -11.267 -5.763 -11.571 1.00 11.54 N ATOM 243 NH2 ARG A 13 -12.681 -3.980 -11.870 1.00 1.13 N ATOM 0 H ARG A 13 -12.467 -5.600 -4.618 1.00 4.52 H new ATOM 0 HA ARG A 13 -14.828 -5.327 -6.262 1.00 63.41 H new ATOM 0 HB2 ARG A 13 -12.412 -5.614 -7.052 1.00 70.51 H new ATOM 0 HB3 ARG A 13 -12.509 -7.277 -6.507 1.00 70.51 H new ATOM 0 HG2 ARG A 13 -14.042 -7.884 -8.168 1.00 74.43 H new ATOM 0 HG3 ARG A 13 -14.617 -6.243 -8.391 1.00 74.43 H new ATOM 0 HD2 ARG A 13 -11.736 -6.578 -8.975 1.00 1.53 H new ATOM 0 HD3 ARG A 13 -12.776 -7.538 -10.008 1.00 1.53 H new ATOM 0 HE ARG A 13 -13.875 -4.915 -9.897 1.00 30.30 H new ATOM 0 HH11 ARG A 13 -10.999 -6.602 -11.057 1.00 11.54 H new ATOM 0 HH12 ARG A 13 -10.713 -5.456 -12.371 1.00 11.54 H new ATOM 0 HH21 ARG A 13 -13.502 -3.446 -11.587 1.00 1.13 H new ATOM 0 HH22 ARG A 13 -12.125 -3.676 -12.669 1.00 1.13 H new ATOM 257 N ASN A 14 -14.392 -7.913 -4.312 1.00 43.31 N ATOM 258 CA ASN A 14 -15.036 -9.101 -3.765 1.00 14.22 C ATOM 259 C ASN A 14 -16.489 -8.811 -3.398 1.00 62.51 C ATOM 260 O ASN A 14 -17.412 -9.400 -3.962 1.00 1.52 O ATOM 261 CB ASN A 14 -14.277 -9.597 -2.533 1.00 22.11 C ATOM 262 CG ASN A 14 -14.260 -11.110 -2.435 1.00 32.34 C ATOM 263 OD1 ASN A 14 -13.745 -11.795 -3.318 1.00 63.23 O ATOM 264 ND2 ASN A 14 -14.826 -11.639 -1.356 1.00 72.31 N ATOM 0 H ASN A 14 -13.536 -7.638 -3.830 1.00 43.31 H new ATOM 0 HA ASN A 14 -15.020 -9.877 -4.530 1.00 14.22 H new ATOM 0 HB2 ASN A 14 -13.253 -9.226 -2.567 1.00 22.11 H new ATOM 0 HB3 ASN A 14 -14.736 -9.183 -1.635 1.00 22.11 H new ATOM 0 HD21 ASN A 14 -14.845 -12.652 -1.235 1.00 72.31 H new ATOM 0 HD22 ASN A 14 -15.241 -11.033 -0.649 1.00 72.31 H new ATOM 271 N VAL A 15 -16.684 -7.901 -2.450 1.00 1.33 N ATOM 272 CA VAL A 15 -18.023 -7.531 -2.008 1.00 75.34 C ATOM 273 C VAL A 15 -18.911 -7.165 -3.193 1.00 2.13 C ATOM 274 O VAL A 15 -19.981 -7.743 -3.382 1.00 12.24 O ATOM 275 CB VAL A 15 -17.984 -6.347 -1.025 1.00 3.41 C ATOM 276 CG1 VAL A 15 -19.374 -6.059 -0.478 1.00 62.23 C ATOM 277 CG2 VAL A 15 -17.005 -6.626 0.105 1.00 4.34 C ATOM 0 H VAL A 15 -15.931 -7.406 -1.973 1.00 1.33 H new ATOM 0 HA VAL A 15 -18.439 -8.401 -1.500 1.00 75.34 H new ATOM 0 HB VAL A 15 -17.642 -5.463 -1.563 1.00 3.41 H new ATOM 0 HG11 VAL A 15 -19.325 -5.219 0.215 1.00 62.23 H new ATOM 0 HG12 VAL A 15 -20.045 -5.812 -1.301 1.00 62.23 H new ATOM 0 HG13 VAL A 15 -19.749 -6.939 0.045 1.00 62.23 H new ATOM 0 HG21 VAL A 15 -16.990 -5.779 0.791 1.00 4.34 H new ATOM 0 HG22 VAL A 15 -17.315 -7.522 0.642 1.00 4.34 H new ATOM 0 HG23 VAL A 15 -16.007 -6.777 -0.307 1.00 4.34 H new ATOM 287 N ARG A 16 -18.458 -6.201 -3.988 1.00 72.22 N ATOM 288 CA ARG A 16 -19.211 -5.757 -5.155 1.00 14.23 C ATOM 289 C ARG A 16 -19.600 -6.941 -6.034 1.00 75.33 C ATOM 290 O ARG A 16 -20.783 -7.202 -6.255 1.00 14.43 O ATOM 291 CB ARG A 16 -18.390 -4.753 -5.966 1.00 74.03 C ATOM 292 CG ARG A 16 -19.224 -3.643 -6.585 1.00 12.24 C ATOM 293 CD ARG A 16 -18.769 -2.272 -6.108 1.00 24.50 C ATOM 294 NE ARG A 16 -18.985 -2.092 -4.675 1.00 41.40 N ATOM 295 CZ ARG A 16 -20.178 -1.871 -4.134 1.00 2.30 C ATOM 296 NH1 ARG A 16 -21.256 -1.804 -4.903 1.00 20.23 N ATOM 297 NH2 ARG A 16 -20.294 -1.716 -2.821 1.00 61.32 N ATOM 0 H ARG A 16 -17.574 -5.713 -3.845 1.00 72.22 H new ATOM 0 HA ARG A 16 -20.122 -5.272 -4.805 1.00 14.23 H new ATOM 0 HB2 ARG A 16 -17.633 -4.310 -5.320 1.00 74.03 H new ATOM 0 HB3 ARG A 16 -17.862 -5.284 -6.758 1.00 74.03 H new ATOM 0 HG2 ARG A 16 -19.151 -3.694 -7.671 1.00 12.24 H new ATOM 0 HG3 ARG A 16 -20.273 -3.789 -6.329 1.00 12.24 H new ATOM 0 HD2 ARG A 16 -17.711 -2.142 -6.334 1.00 24.50 H new ATOM 0 HD3 ARG A 16 -19.309 -1.500 -6.656 1.00 24.50 H new ATOM 0 HE ARG A 16 -18.176 -2.138 -4.056 1.00 41.40 H new ATOM 0 HH11 ARG A 16 -21.170 -1.922 -5.913 1.00 20.23 H new ATOM 0 HH12 ARG A 16 -22.171 -1.634 -4.485 1.00 20.23 H new ATOM 0 HH21 ARG A 16 -19.467 -1.767 -2.226 1.00 61.32 H new ATOM 0 HH22 ARG A 16 -21.210 -1.546 -2.406 1.00 61.32 H new ATOM 311 N ASP A 17 -18.598 -7.655 -6.534 1.00 45.33 N ATOM 312 CA ASP A 17 -18.834 -8.812 -7.390 1.00 13.15 C ATOM 313 C ASP A 17 -19.807 -9.785 -6.730 1.00 65.11 C ATOM 314 O ASP A 17 -20.687 -10.339 -7.387 1.00 13.13 O ATOM 315 CB ASP A 17 -17.515 -9.521 -7.700 1.00 74.45 C ATOM 316 CG ASP A 17 -17.593 -10.362 -8.960 1.00 31.03 C ATOM 317 OD1 ASP A 17 -17.712 -9.777 -10.056 1.00 74.34 O ATOM 318 OD2 ASP A 17 -17.536 -11.605 -8.848 1.00 44.23 O ATOM 0 H ASP A 17 -17.613 -7.453 -6.361 1.00 45.33 H new ATOM 0 HA ASP A 17 -19.276 -8.460 -8.322 1.00 13.15 H new ATOM 0 HB2 ASP A 17 -16.724 -8.779 -7.810 1.00 74.45 H new ATOM 0 HB3 ASP A 17 -17.241 -10.157 -6.858 1.00 74.45 H new ATOM 323 N GLY A 18 -19.639 -9.989 -5.427 1.00 32.41 N ATOM 324 CA GLY A 18 -20.508 -10.897 -4.701 1.00 12.13 C ATOM 325 C GLY A 18 -21.943 -10.410 -4.651 1.00 60.31 C ATOM 326 O GLY A 18 -22.877 -11.190 -4.843 1.00 24.03 O ATOM 0 H GLY A 18 -18.917 -9.542 -4.862 1.00 32.41 H new ATOM 0 HA2 GLY A 18 -20.477 -11.879 -5.172 1.00 12.13 H new ATOM 0 HA3 GLY A 18 -20.133 -11.019 -3.685 1.00 12.13 H new ATOM 330 N ILE A 19 -22.120 -9.119 -4.392 1.00 24.23 N ATOM 331 CA ILE A 19 -23.451 -8.531 -4.317 1.00 0.32 C ATOM 332 C ILE A 19 -24.099 -8.460 -5.695 1.00 73.52 C ATOM 333 O ILE A 19 -25.311 -8.635 -5.832 1.00 45.11 O ATOM 334 CB ILE A 19 -23.408 -7.116 -3.710 1.00 22.15 C ATOM 335 CG1 ILE A 19 -22.808 -7.159 -2.303 1.00 22.43 C ATOM 336 CG2 ILE A 19 -24.803 -6.511 -3.678 1.00 12.44 C ATOM 337 CD1 ILE A 19 -22.261 -5.828 -1.838 1.00 11.14 C ATOM 0 H ILE A 19 -21.358 -8.460 -4.231 1.00 24.23 H new ATOM 0 HA ILE A 19 -24.045 -9.177 -3.671 1.00 0.32 H new ATOM 0 HB ILE A 19 -22.775 -6.487 -4.336 1.00 22.15 H new ATOM 0 HG12 ILE A 19 -23.572 -7.494 -1.601 1.00 22.43 H new ATOM 0 HG13 ILE A 19 -22.008 -7.899 -2.280 1.00 22.43 H new ATOM 0 HG21 ILE A 19 -24.756 -5.511 -3.246 1.00 12.44 H new ATOM 0 HG22 ILE A 19 -25.197 -6.450 -4.693 1.00 12.44 H new ATOM 0 HG23 ILE A 19 -25.457 -7.137 -3.072 1.00 12.44 H new ATOM 0 HD11 ILE A 19 -21.852 -5.934 -0.833 1.00 11.14 H new ATOM 0 HD12 ILE A 19 -21.474 -5.501 -2.518 1.00 11.14 H new ATOM 0 HD13 ILE A 19 -23.062 -5.089 -1.828 1.00 11.14 H new ATOM 349 N ILE A 20 -23.285 -8.206 -6.714 1.00 1.23 N ATOM 350 CA ILE A 20 -23.779 -8.116 -8.082 1.00 42.31 C ATOM 351 C ILE A 20 -24.112 -9.496 -8.638 1.00 42.03 C ATOM 352 O ILE A 20 -25.232 -9.744 -9.085 1.00 32.24 O ATOM 353 CB ILE A 20 -22.753 -7.436 -9.007 1.00 45.35 C ATOM 354 CG1 ILE A 20 -22.432 -6.027 -8.502 1.00 72.42 C ATOM 355 CG2 ILE A 20 -23.278 -7.386 -10.434 1.00 45.35 C ATOM 356 CD1 ILE A 20 -21.115 -5.487 -9.014 1.00 14.20 C ATOM 0 H ILE A 20 -22.280 -8.059 -6.618 1.00 1.23 H new ATOM 0 HA ILE A 20 -24.685 -7.511 -8.051 1.00 42.31 H new ATOM 0 HB ILE A 20 -21.834 -8.022 -8.999 1.00 45.35 H new ATOM 0 HG12 ILE A 20 -23.233 -5.351 -8.801 1.00 72.42 H new ATOM 0 HG13 ILE A 20 -22.413 -6.036 -7.412 1.00 72.42 H new ATOM 0 HG21 ILE A 20 -22.542 -6.903 -11.076 1.00 45.35 H new ATOM 0 HG22 ILE A 20 -23.460 -8.400 -10.790 1.00 45.35 H new ATOM 0 HG23 ILE A 20 -24.209 -6.820 -10.460 1.00 45.35 H new ATOM 0 HD11 ILE A 20 -20.953 -4.485 -8.616 1.00 14.20 H new ATOM 0 HD12 ILE A 20 -20.304 -6.141 -8.693 1.00 14.20 H new ATOM 0 HD13 ILE A 20 -21.138 -5.445 -10.103 1.00 14.20 H new ATOM 368 N LYS A 21 -23.132 -10.393 -8.607 1.00 42.41 N ATOM 369 CA LYS A 21 -23.320 -11.750 -9.105 1.00 21.12 C ATOM 370 C LYS A 21 -24.501 -12.424 -8.414 1.00 55.25 C ATOM 371 O LYS A 21 -25.543 -12.653 -9.029 1.00 10.44 O ATOM 372 CB LYS A 21 -22.050 -12.576 -8.887 1.00 41.31 C ATOM 373 CG LYS A 21 -20.898 -12.170 -9.790 1.00 51.51 C ATOM 374 CD LYS A 21 -20.760 -13.110 -10.976 1.00 14.04 C ATOM 375 CE LYS A 21 -19.543 -14.011 -10.834 1.00 33.12 C ATOM 376 NZ LYS A 21 -19.864 -15.264 -10.096 1.00 21.13 N ATOM 0 H LYS A 21 -22.199 -10.204 -8.242 1.00 42.41 H new ATOM 0 HA LYS A 21 -23.530 -11.692 -10.173 1.00 21.12 H new ATOM 0 HB2 LYS A 21 -21.737 -12.479 -7.847 1.00 41.31 H new ATOM 0 HB3 LYS A 21 -22.278 -13.629 -9.054 1.00 41.31 H new ATOM 0 HG2 LYS A 21 -21.056 -11.153 -10.148 1.00 51.51 H new ATOM 0 HG3 LYS A 21 -19.970 -12.166 -9.218 1.00 51.51 H new ATOM 0 HD2 LYS A 21 -21.658 -13.721 -11.064 1.00 14.04 H new ATOM 0 HD3 LYS A 21 -20.679 -12.529 -11.895 1.00 14.04 H new ATOM 0 HE2 LYS A 21 -19.158 -14.260 -11.823 1.00 33.12 H new ATOM 0 HE3 LYS A 21 -18.752 -13.474 -10.311 1.00 33.12 H new ATOM 0 HZ1 LYS A 21 -19.009 -15.851 -10.020 1.00 21.13 H new ATOM 0 HZ2 LYS A 21 -20.207 -15.027 -9.143 1.00 21.13 H new ATOM 0 HZ3 LYS A 21 -20.600 -15.790 -10.609 1.00 21.13 H new ATOM 421 N ALA A 25 -28.923 -11.859 1.261 1.00 33.35 N ATOM 422 CA ALA A 25 -29.727 -10.989 2.110 1.00 12.41 C ATOM 423 C ALA A 25 -28.931 -10.515 3.322 1.00 72.35 C ATOM 424 O ALA A 25 -28.924 -9.328 3.647 1.00 32.02 O ATOM 425 CB ALA A 25 -30.992 -11.707 2.555 1.00 33.14 C ATOM 0 HA ALA A 25 -30.007 -10.112 1.526 1.00 12.41 H new ATOM 0 HB1 ALA A 25 -31.582 -11.045 3.188 1.00 33.14 H new ATOM 0 HB2 ALA A 25 -31.577 -11.989 1.680 1.00 33.14 H new ATOM 0 HB3 ALA A 25 -30.724 -12.602 3.116 1.00 33.14 H new ATOM 431 N VAL A 26 -28.261 -11.451 3.986 1.00 35.54 N ATOM 432 CA VAL A 26 -27.462 -11.130 5.162 1.00 4.32 C ATOM 433 C VAL A 26 -26.503 -9.979 4.877 1.00 53.12 C ATOM 434 O VAL A 26 -26.222 -9.161 5.752 1.00 44.22 O ATOM 435 CB VAL A 26 -26.653 -12.350 5.642 1.00 40.31 C ATOM 436 CG1 VAL A 26 -25.890 -12.018 6.915 1.00 1.41 C ATOM 437 CG2 VAL A 26 -27.569 -13.545 5.856 1.00 13.11 C ATOM 0 H VAL A 26 -28.256 -12.438 3.729 1.00 35.54 H new ATOM 0 HA VAL A 26 -28.159 -10.834 5.946 1.00 4.32 H new ATOM 0 HB VAL A 26 -25.928 -12.610 4.870 1.00 40.31 H new ATOM 0 HG11 VAL A 26 -25.325 -12.892 7.239 1.00 1.41 H new ATOM 0 HG12 VAL A 26 -25.204 -11.193 6.723 1.00 1.41 H new ATOM 0 HG13 VAL A 26 -26.594 -11.731 7.697 1.00 1.41 H new ATOM 0 HG21 VAL A 26 -26.981 -14.398 6.195 1.00 13.11 H new ATOM 0 HG22 VAL A 26 -28.318 -13.299 6.608 1.00 13.11 H new ATOM 0 HG23 VAL A 26 -28.065 -13.796 4.918 1.00 13.11 H new ATOM 447 N ALA A 27 -26.005 -9.922 3.646 1.00 75.11 N ATOM 448 CA ALA A 27 -25.080 -8.870 3.244 1.00 54.12 C ATOM 449 C ALA A 27 -25.785 -7.519 3.168 1.00 64.44 C ATOM 450 O ALA A 27 -25.435 -6.584 3.887 1.00 4.03 O ATOM 451 CB ALA A 27 -24.443 -9.211 1.905 1.00 23.01 C ATOM 0 H ALA A 27 -26.227 -10.592 2.910 1.00 75.11 H new ATOM 0 HA ALA A 27 -24.297 -8.800 3.999 1.00 54.12 H new ATOM 0 HB1 ALA A 27 -23.754 -8.417 1.617 1.00 23.01 H new ATOM 0 HB2 ALA A 27 -23.898 -10.151 1.990 1.00 23.01 H new ATOM 0 HB3 ALA A 27 -25.220 -9.310 1.147 1.00 23.01 H new ATOM 457 N VAL A 28 -26.779 -7.424 2.290 1.00 23.23 N ATOM 458 CA VAL A 28 -27.533 -6.188 2.120 1.00 4.23 C ATOM 459 C VAL A 28 -28.137 -5.727 3.442 1.00 53.23 C ATOM 460 O VAL A 28 -28.222 -4.529 3.714 1.00 73.23 O ATOM 461 CB VAL A 28 -28.659 -6.355 1.084 1.00 72.45 C ATOM 462 CG1 VAL A 28 -29.565 -7.517 1.462 1.00 13.13 C ATOM 463 CG2 VAL A 28 -29.457 -5.067 0.952 1.00 71.05 C ATOM 0 H VAL A 28 -27.080 -8.188 1.686 1.00 23.23 H new ATOM 0 HA VAL A 28 -26.830 -5.435 1.763 1.00 4.23 H new ATOM 0 HB VAL A 28 -28.209 -6.577 0.117 1.00 72.45 H new ATOM 0 HG11 VAL A 28 -30.355 -7.619 0.718 1.00 13.13 H new ATOM 0 HG12 VAL A 28 -28.981 -8.436 1.500 1.00 13.13 H new ATOM 0 HG13 VAL A 28 -30.009 -7.329 2.439 1.00 13.13 H new ATOM 0 HG21 VAL A 28 -30.249 -5.203 0.215 1.00 71.05 H new ATOM 0 HG22 VAL A 28 -29.898 -4.812 1.916 1.00 71.05 H new ATOM 0 HG23 VAL A 28 -28.797 -4.261 0.630 1.00 71.05 H new ATOM 473 N VAL A 29 -28.556 -6.686 4.261 1.00 33.01 N ATOM 474 CA VAL A 29 -29.152 -6.379 5.556 1.00 71.11 C ATOM 475 C VAL A 29 -28.092 -5.936 6.558 1.00 63.33 C ATOM 476 O VAL A 29 -28.175 -4.848 7.126 1.00 71.24 O ATOM 477 CB VAL A 29 -29.908 -7.593 6.128 1.00 62.31 C ATOM 478 CG1 VAL A 29 -30.474 -7.271 7.503 1.00 65.04 C ATOM 479 CG2 VAL A 29 -31.012 -8.030 5.177 1.00 41.52 C ATOM 0 H VAL A 29 -28.494 -7.682 4.051 1.00 33.01 H new ATOM 0 HA VAL A 29 -29.858 -5.564 5.394 1.00 71.11 H new ATOM 0 HB VAL A 29 -29.205 -8.419 6.235 1.00 62.31 H new ATOM 0 HG11 VAL A 29 -31.005 -8.141 7.891 1.00 65.04 H new ATOM 0 HG12 VAL A 29 -29.660 -7.011 8.180 1.00 65.04 H new ATOM 0 HG13 VAL A 29 -31.163 -6.430 7.425 1.00 65.04 H new ATOM 0 HG21 VAL A 29 -31.535 -8.889 5.597 1.00 41.52 H new ATOM 0 HG22 VAL A 29 -31.716 -7.210 5.035 1.00 41.52 H new ATOM 0 HG23 VAL A 29 -30.577 -8.305 4.216 1.00 41.52 H new ATOM 489 N GLY A 30 -27.093 -6.788 6.770 1.00 60.13 N ATOM 490 CA GLY A 30 -26.029 -6.467 7.703 1.00 13.32 C ATOM 491 C GLY A 30 -25.316 -5.177 7.348 1.00 34.01 C ATOM 492 O GLY A 30 -25.150 -4.300 8.195 1.00 51.31 O ATOM 0 H GLY A 30 -27.002 -7.695 6.312 1.00 60.13 H new ATOM 0 HA2 GLY A 30 -26.444 -6.385 8.708 1.00 13.32 H new ATOM 0 HA3 GLY A 30 -25.308 -7.284 7.722 1.00 13.32 H new ATOM 496 N GLN A 31 -24.893 -5.063 6.093 1.00 11.24 N ATOM 497 CA GLN A 31 -24.192 -3.871 5.630 1.00 63.41 C ATOM 498 C GLN A 31 -25.035 -2.621 5.855 1.00 11.13 C ATOM 499 O GLN A 31 -24.628 -1.707 6.572 1.00 52.12 O ATOM 500 CB GLN A 31 -23.842 -4.005 4.147 1.00 40.53 C ATOM 501 CG GLN A 31 -22.633 -3.182 3.730 1.00 13.04 C ATOM 502 CD GLN A 31 -21.431 -4.041 3.393 1.00 61.23 C ATOM 503 OE1 GLN A 31 -21.257 -5.130 3.941 1.00 15.25 O ATOM 504 NE2 GLN A 31 -20.592 -3.556 2.485 1.00 51.30 N ATOM 0 H GLN A 31 -25.023 -5.780 5.380 1.00 11.24 H new ATOM 0 HA GLN A 31 -23.272 -3.774 6.207 1.00 63.41 H new ATOM 0 HB2 GLN A 31 -23.652 -5.054 3.920 1.00 40.53 H new ATOM 0 HB3 GLN A 31 -24.702 -3.700 3.550 1.00 40.53 H new ATOM 0 HG2 GLN A 31 -22.894 -2.573 2.864 1.00 13.04 H new ATOM 0 HG3 GLN A 31 -22.370 -2.496 4.535 1.00 13.04 H new ATOM 0 HE21 GLN A 31 -20.774 -2.649 2.055 1.00 51.30 H new ATOM 0 HE22 GLN A 31 -19.766 -4.091 2.217 1.00 51.30 H new ATOM 513 N ALA A 32 -26.212 -2.588 5.239 1.00 41.34 N ATOM 514 CA ALA A 32 -27.113 -1.450 5.373 1.00 32.25 C ATOM 515 C ALA A 32 -27.405 -1.151 6.840 1.00 25.42 C ATOM 516 O ALA A 32 -27.320 -0.005 7.279 1.00 45.35 O ATOM 517 CB ALA A 32 -28.408 -1.711 4.619 1.00 54.44 C ATOM 0 H ALA A 32 -26.564 -3.337 4.642 1.00 41.34 H new ATOM 0 HA ALA A 32 -26.623 -0.577 4.941 1.00 32.25 H new ATOM 0 HB1 ALA A 32 -29.072 -0.853 4.728 1.00 54.44 H new ATOM 0 HB2 ALA A 32 -28.189 -1.869 3.563 1.00 54.44 H new ATOM 0 HB3 ALA A 32 -28.893 -2.599 5.025 1.00 54.44 H new ATOM 523 N ALA A 33 -27.749 -2.190 7.594 1.00 61.52 N ATOM 524 CA ALA A 33 -28.052 -2.039 9.012 1.00 45.14 C ATOM 525 C ALA A 33 -26.869 -1.439 9.764 1.00 2.13 C ATOM 526 O ALA A 33 -27.034 -0.535 10.584 1.00 55.32 O ATOM 527 CB ALA A 33 -28.438 -3.381 9.615 1.00 23.13 C ATOM 0 H ALA A 33 -27.825 -3.146 7.246 1.00 61.52 H new ATOM 0 HA ALA A 33 -28.895 -1.355 9.108 1.00 45.14 H new ATOM 0 HB1 ALA A 33 -28.662 -3.253 10.674 1.00 23.13 H new ATOM 0 HB2 ALA A 33 -29.318 -3.770 9.103 1.00 23.13 H new ATOM 0 HB3 ALA A 33 -27.612 -4.082 9.501 1.00 23.13 H new ATOM 533 N THR A 34 -25.674 -1.948 9.482 1.00 65.01 N ATOM 534 CA THR A 34 -24.463 -1.464 10.133 1.00 12.24 C ATOM 535 C THR A 34 -24.153 -0.029 9.722 1.00 74.14 C ATOM 536 O THR A 34 -23.745 0.789 10.545 1.00 1.53 O ATOM 537 CB THR A 34 -23.251 -2.354 9.801 1.00 73.43 C ATOM 538 OG1 THR A 34 -23.497 -3.697 10.233 1.00 22.31 O ATOM 539 CG2 THR A 34 -21.991 -1.824 10.467 1.00 22.22 C ATOM 0 H THR A 34 -25.519 -2.696 8.806 1.00 65.01 H new ATOM 0 HA THR A 34 -24.647 -1.500 11.207 1.00 12.24 H new ATOM 0 HB THR A 34 -23.104 -2.341 8.721 1.00 73.43 H new ATOM 0 HG1 THR A 34 -24.205 -4.093 9.683 1.00 22.31 H new ATOM 0 HG21 THR A 34 -21.149 -2.469 10.218 1.00 22.22 H new ATOM 0 HG22 THR A 34 -21.790 -0.813 10.113 1.00 22.22 H new ATOM 0 HG23 THR A 34 -22.129 -1.810 11.548 1.00 22.22 H new ATOM 547 N VAL A 35 -24.351 0.270 8.442 1.00 61.05 N ATOM 548 CA VAL A 35 -24.094 1.607 7.921 1.00 52.35 C ATOM 549 C VAL A 35 -25.093 2.615 8.478 1.00 41.31 C ATOM 550 O VAL A 35 -24.730 3.741 8.819 1.00 54.43 O ATOM 551 CB VAL A 35 -24.161 1.633 6.382 1.00 65.51 C ATOM 552 CG1 VAL A 35 -23.926 3.042 5.860 1.00 13.02 C ATOM 553 CG2 VAL A 35 -23.151 0.661 5.790 1.00 43.25 C ATOM 0 H VAL A 35 -24.689 -0.396 7.747 1.00 61.05 H new ATOM 0 HA VAL A 35 -23.088 1.882 8.238 1.00 52.35 H new ATOM 0 HB VAL A 35 -25.158 1.320 6.073 1.00 65.51 H new ATOM 0 HG11 VAL A 35 -23.977 3.040 4.771 1.00 13.02 H new ATOM 0 HG12 VAL A 35 -24.690 3.710 6.258 1.00 13.02 H new ATOM 0 HG13 VAL A 35 -22.942 3.388 6.176 1.00 13.02 H new ATOM 0 HG21 VAL A 35 -23.211 0.691 4.702 1.00 43.25 H new ATOM 0 HG22 VAL A 35 -22.147 0.943 6.106 1.00 43.25 H new ATOM 0 HG23 VAL A 35 -23.371 -0.349 6.137 1.00 43.25 H new ATOM 563 N VAL A 36 -26.353 2.203 8.569 1.00 54.03 N ATOM 564 CA VAL A 36 -27.406 3.069 9.087 1.00 43.24 C ATOM 565 C VAL A 36 -27.296 3.224 10.599 1.00 24.43 C ATOM 566 O VAL A 36 -27.380 4.332 11.130 1.00 65.44 O ATOM 567 CB VAL A 36 -28.803 2.525 8.738 1.00 75.44 C ATOM 568 CG1 VAL A 36 -29.886 3.424 9.314 1.00 54.24 C ATOM 569 CG2 VAL A 36 -28.960 2.386 7.231 1.00 62.02 C ATOM 0 H VAL A 36 -26.670 1.274 8.291 1.00 54.03 H new ATOM 0 HA VAL A 36 -27.275 4.043 8.615 1.00 43.24 H new ATOM 0 HB VAL A 36 -28.910 1.536 9.184 1.00 75.44 H new ATOM 0 HG11 VAL A 36 -30.866 3.023 9.057 1.00 54.24 H new ATOM 0 HG12 VAL A 36 -29.785 3.467 10.398 1.00 54.24 H new ATOM 0 HG13 VAL A 36 -29.784 4.427 8.900 1.00 54.24 H new ATOM 0 HG21 VAL A 36 -29.954 2.000 7.003 1.00 62.02 H new ATOM 0 HG22 VAL A 36 -28.832 3.361 6.760 1.00 62.02 H new ATOM 0 HG23 VAL A 36 -28.207 1.697 6.849 1.00 62.02 H new ATOM 579 N LYS A 37 -27.106 2.105 11.290 1.00 35.44 N ATOM 580 CA LYS A 37 -26.983 2.114 12.743 1.00 24.42 C ATOM 581 C LYS A 37 -25.864 3.051 13.188 1.00 32.51 C ATOM 582 O LYS A 37 -26.120 4.109 13.763 1.00 43.15 O ATOM 583 CB LYS A 37 -26.714 0.699 13.262 1.00 42.05 C ATOM 584 CG LYS A 37 -27.964 -0.156 13.372 1.00 72.24 C ATOM 585 CD LYS A 37 -28.461 -0.236 14.805 1.00 22.04 C ATOM 586 CE LYS A 37 -29.951 0.056 14.896 1.00 23.03 C ATOM 587 NZ LYS A 37 -30.246 1.502 14.695 1.00 21.32 N ATOM 0 H LYS A 37 -27.034 1.180 10.867 1.00 35.44 H new ATOM 0 HA LYS A 37 -27.923 2.475 13.160 1.00 24.42 H new ATOM 0 HB2 LYS A 37 -26.004 0.206 12.598 1.00 42.05 H new ATOM 0 HB3 LYS A 37 -26.241 0.764 14.242 1.00 42.05 H new ATOM 0 HG2 LYS A 37 -28.747 0.259 12.737 1.00 72.24 H new ATOM 0 HG3 LYS A 37 -27.753 -1.160 13.003 1.00 72.24 H new ATOM 0 HD2 LYS A 37 -28.259 -1.229 15.206 1.00 22.04 H new ATOM 0 HD3 LYS A 37 -27.912 0.475 15.422 1.00 22.04 H new ATOM 0 HE2 LYS A 37 -30.482 -0.531 14.147 1.00 23.03 H new ATOM 0 HE3 LYS A 37 -30.324 -0.259 15.871 1.00 23.03 H new ATOM 0 HZ1 LYS A 37 -31.272 1.660 14.764 1.00 21.32 H new ATOM 0 HZ2 LYS A 37 -29.759 2.060 15.425 1.00 21.32 H new ATOM 0 HZ3 LYS A 37 -29.913 1.797 13.755 1.00 21.32 H new