USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 358 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ -101:sc= -0.0231 (180deg=0) USER MOD Set 1.2: A 23 LYS NZ :NH3+ 180:sc=-0.00183 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -134:sc=-0.00238 (180deg=-1.1!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.610 -2.245 17.272 1.00 52.31 N ATOM 2 CA LYS A 1 -10.858 -2.948 16.998 1.00 3.22 C ATOM 3 C LYS A 1 -11.306 -2.718 15.558 1.00 31.21 C ATOM 4 O LYS A 1 -11.645 -3.663 14.845 1.00 1.03 O ATOM 5 CB LYS A 1 -11.951 -2.484 17.964 1.00 51.34 C ATOM 6 CG LYS A 1 -13.306 -3.120 17.699 1.00 63.01 C ATOM 7 CD LYS A 1 -14.149 -3.180 18.961 1.00 21.42 C ATOM 8 CE LYS A 1 -15.570 -3.634 18.662 1.00 42.45 C ATOM 9 NZ LYS A 1 -15.699 -5.117 18.702 1.00 0.31 N ATOM 0 H1 LYS A 1 -8.956 -2.881 17.772 1.00 52.31 H new ATOM 0 H2 LYS A 1 -9.179 -1.940 16.376 1.00 52.31 H new ATOM 0 H3 LYS A 1 -9.804 -1.412 17.864 1.00 52.31 H new ATOM 0 HA LYS A 1 -10.685 -4.015 17.140 1.00 3.22 H new ATOM 0 HB2 LYS A 1 -11.644 -2.714 18.984 1.00 51.34 H new ATOM 0 HB3 LYS A 1 -12.048 -1.400 17.897 1.00 51.34 H new ATOM 0 HG2 LYS A 1 -13.834 -2.550 16.935 1.00 63.01 H new ATOM 0 HG3 LYS A 1 -13.166 -4.127 17.306 1.00 63.01 H new ATOM 0 HD2 LYS A 1 -13.690 -3.865 19.674 1.00 21.42 H new ATOM 0 HD3 LYS A 1 -14.171 -2.197 19.432 1.00 21.42 H new ATOM 0 HE2 LYS A 1 -16.253 -3.191 19.387 1.00 42.45 H new ATOM 0 HE3 LYS A 1 -15.868 -3.270 17.679 1.00 42.45 H new ATOM 0 HZ1 LYS A 1 -16.682 -5.386 18.493 1.00 0.31 H new ATOM 0 HZ2 LYS A 1 -15.066 -5.540 17.993 1.00 0.31 H new ATOM 0 HZ3 LYS A 1 -15.439 -5.463 19.648 1.00 0.31 H new ATOM 23 N ARG A 2 -11.304 -1.458 15.136 1.00 51.34 N ATOM 24 CA ARG A 2 -11.711 -1.105 13.781 1.00 65.14 C ATOM 25 C ARG A 2 -10.500 -1.011 12.858 1.00 62.23 C ATOM 26 O ARG A 2 -10.581 -0.447 11.766 1.00 70.24 O ATOM 27 CB ARG A 2 -12.469 0.224 13.782 1.00 74.51 C ATOM 28 CG ARG A 2 -13.980 0.062 13.733 1.00 44.42 C ATOM 29 CD ARG A 2 -14.669 1.374 13.392 1.00 25.40 C ATOM 30 NE ARG A 2 -15.074 2.107 14.589 1.00 43.42 N ATOM 31 CZ ARG A 2 -15.604 3.325 14.560 1.00 2.40 C ATOM 32 NH1 ARG A 2 -15.791 3.943 13.402 1.00 41.24 N ATOM 33 NH2 ARG A 2 -15.947 3.927 15.691 1.00 31.51 N ATOM 0 H ARG A 2 -11.025 -0.664 15.713 1.00 51.34 H new ATOM 0 HA ARG A 2 -12.370 -1.890 13.410 1.00 65.14 H new ATOM 0 HB2 ARG A 2 -12.201 0.785 14.677 1.00 74.51 H new ATOM 0 HB3 ARG A 2 -12.147 0.817 12.926 1.00 74.51 H new ATOM 0 HG2 ARG A 2 -14.243 -0.692 12.991 1.00 44.42 H new ATOM 0 HG3 ARG A 2 -14.340 -0.300 14.696 1.00 44.42 H new ATOM 0 HD2 ARG A 2 -13.996 1.993 12.798 1.00 25.40 H new ATOM 0 HD3 ARG A 2 -15.545 1.174 12.776 1.00 25.40 H new ATOM 0 HE ARG A 2 -14.943 1.659 15.496 1.00 43.42 H new ATOM 0 HH11 ARG A 2 -15.528 3.483 12.530 1.00 41.24 H new ATOM 0 HH12 ARG A 2 -16.198 4.878 13.383 1.00 41.24 H new ATOM 0 HH21 ARG A 2 -15.804 3.455 16.584 1.00 31.51 H new ATOM 0 HH22 ARG A 2 -16.354 4.862 15.668 1.00 31.51 H new ATOM 47 N PHE A 3 -9.378 -1.566 13.304 1.00 41.03 N ATOM 48 CA PHE A 3 -8.149 -1.544 12.518 1.00 14.24 C ATOM 49 C PHE A 3 -8.277 -2.431 11.283 1.00 45.33 C ATOM 50 O PHE A 3 -7.597 -2.218 10.279 1.00 72.34 O ATOM 51 CB PHE A 3 -6.965 -2.004 13.371 1.00 73.15 C ATOM 52 CG PHE A 3 -6.961 -3.481 13.643 1.00 21.44 C ATOM 53 CD1 PHE A 3 -6.353 -4.360 12.762 1.00 53.13 C ATOM 54 CD2 PHE A 3 -7.565 -3.990 14.781 1.00 31.40 C ATOM 55 CE1 PHE A 3 -6.349 -5.720 13.009 1.00 0.12 C ATOM 56 CE2 PHE A 3 -7.564 -5.349 15.035 1.00 23.21 C ATOM 57 CZ PHE A 3 -6.954 -6.215 14.149 1.00 41.12 C ATOM 0 H PHE A 3 -9.294 -2.036 14.205 1.00 41.03 H new ATOM 0 HA PHE A 3 -7.975 -0.519 12.190 1.00 14.24 H new ATOM 0 HB2 PHE A 3 -6.037 -1.733 12.867 1.00 73.15 H new ATOM 0 HB3 PHE A 3 -6.981 -1.468 14.320 1.00 73.15 H new ATOM 0 HD1 PHE A 3 -5.876 -3.978 11.871 1.00 53.13 H new ATOM 0 HD2 PHE A 3 -8.042 -3.317 15.478 1.00 31.40 H new ATOM 0 HE1 PHE A 3 -5.874 -6.395 12.312 1.00 0.12 H new ATOM 0 HE2 PHE A 3 -8.040 -5.733 15.925 1.00 23.21 H new ATOM 0 HZ PHE A 3 -6.950 -7.277 14.346 1.00 41.12 H new ATOM 67 N LYS A 4 -9.151 -3.426 11.365 1.00 32.34 N ATOM 68 CA LYS A 4 -9.370 -4.347 10.256 1.00 11.10 C ATOM 69 C LYS A 4 -9.656 -3.586 8.966 1.00 73.21 C ATOM 70 O LYS A 4 -9.233 -3.994 7.885 1.00 61.45 O ATOM 71 CB LYS A 4 -10.532 -5.292 10.572 1.00 10.24 C ATOM 72 CG LYS A 4 -10.254 -6.741 10.211 1.00 43.24 C ATOM 73 CD LYS A 4 -11.538 -7.499 9.921 1.00 32.24 C ATOM 74 CE LYS A 4 -12.190 -8.000 11.201 1.00 33.13 C ATOM 75 NZ LYS A 4 -13.671 -8.084 11.073 1.00 74.15 N ATOM 0 H LYS A 4 -9.721 -3.616 12.189 1.00 32.34 H new ATOM 0 HA LYS A 4 -8.461 -4.933 10.118 1.00 11.10 H new ATOM 0 HB2 LYS A 4 -10.761 -5.229 11.636 1.00 10.24 H new ATOM 0 HB3 LYS A 4 -11.419 -4.956 10.034 1.00 10.24 H new ATOM 0 HG2 LYS A 4 -9.602 -6.781 9.339 1.00 43.24 H new ATOM 0 HG3 LYS A 4 -9.721 -7.225 11.030 1.00 43.24 H new ATOM 0 HD2 LYS A 4 -12.232 -6.850 9.387 1.00 32.24 H new ATOM 0 HD3 LYS A 4 -11.323 -8.343 9.266 1.00 32.24 H new ATOM 0 HE2 LYS A 4 -11.791 -8.983 11.451 1.00 33.13 H new ATOM 0 HE3 LYS A 4 -11.934 -7.333 12.024 1.00 33.13 H new ATOM 0 HZ1 LYS A 4 -14.078 -8.429 11.966 1.00 74.15 H new ATOM 0 HZ2 LYS A 4 -14.055 -7.141 10.859 1.00 74.15 H new ATOM 0 HZ3 LYS A 4 -13.916 -8.740 10.304 1.00 74.15 H new ATOM 89 N LYS A 5 -10.377 -2.477 9.087 1.00 41.42 N ATOM 90 CA LYS A 5 -10.718 -1.655 7.930 1.00 20.42 C ATOM 91 C LYS A 5 -9.494 -0.904 7.417 1.00 63.22 C ATOM 92 O LYS A 5 -9.368 -0.647 6.219 1.00 22.30 O ATOM 93 CB LYS A 5 -11.825 -0.662 8.293 1.00 70.32 C ATOM 94 CG LYS A 5 -13.220 -1.261 8.242 1.00 40.30 C ATOM 95 CD LYS A 5 -13.675 -1.730 9.613 1.00 34.52 C ATOM 96 CE LYS A 5 -15.183 -1.923 9.664 1.00 34.03 C ATOM 97 NZ LYS A 5 -15.582 -2.903 10.711 1.00 34.52 N ATOM 0 H LYS A 5 -10.737 -2.126 9.974 1.00 41.42 H new ATOM 0 HA LYS A 5 -11.075 -2.314 7.139 1.00 20.42 H new ATOM 0 HB2 LYS A 5 -11.641 -0.276 9.296 1.00 70.32 H new ATOM 0 HB3 LYS A 5 -11.778 0.187 7.611 1.00 70.32 H new ATOM 0 HG2 LYS A 5 -13.921 -0.520 7.859 1.00 40.30 H new ATOM 0 HG3 LYS A 5 -13.231 -2.100 7.547 1.00 40.30 H new ATOM 0 HD2 LYS A 5 -13.178 -2.668 9.861 1.00 34.52 H new ATOM 0 HD3 LYS A 5 -13.375 -1.001 10.366 1.00 34.52 H new ATOM 0 HE2 LYS A 5 -15.665 -0.965 9.860 1.00 34.03 H new ATOM 0 HE3 LYS A 5 -15.538 -2.265 8.692 1.00 34.03 H new ATOM 0 HZ1 LYS A 5 -16.617 -3.006 10.714 1.00 34.52 H new ATOM 0 HZ2 LYS A 5 -15.143 -3.824 10.510 1.00 34.52 H new ATOM 0 HZ3 LYS A 5 -15.266 -2.564 11.642 1.00 34.52 H new ATOM 111 N PHE A 6 -8.594 -0.554 8.330 1.00 4.12 N ATOM 112 CA PHE A 6 -7.380 0.168 7.969 1.00 60.22 C ATOM 113 C PHE A 6 -6.468 -0.699 7.106 1.00 61.43 C ATOM 114 O PHE A 6 -5.899 -0.232 6.119 1.00 5.32 O ATOM 115 CB PHE A 6 -6.633 0.615 9.227 1.00 13.53 C ATOM 116 CG PHE A 6 -5.277 1.197 8.946 1.00 73.43 C ATOM 117 CD1 PHE A 6 -5.136 2.279 8.093 1.00 23.21 C ATOM 118 CD2 PHE A 6 -4.144 0.658 9.533 1.00 4.05 C ATOM 119 CE1 PHE A 6 -3.890 2.816 7.832 1.00 5.32 C ATOM 120 CE2 PHE A 6 -2.895 1.191 9.277 1.00 24.40 C ATOM 121 CZ PHE A 6 -2.767 2.270 8.425 1.00 51.55 C ATOM 0 H PHE A 6 -8.683 -0.759 9.325 1.00 4.12 H new ATOM 0 HA PHE A 6 -7.669 1.048 7.394 1.00 60.22 H new ATOM 0 HB2 PHE A 6 -7.235 1.356 9.753 1.00 13.53 H new ATOM 0 HB3 PHE A 6 -6.521 -0.238 9.896 1.00 13.53 H new ATOM 0 HD1 PHE A 6 -6.010 2.708 7.626 1.00 23.21 H new ATOM 0 HD2 PHE A 6 -4.238 -0.188 10.198 1.00 4.05 H new ATOM 0 HE1 PHE A 6 -3.794 3.661 7.166 1.00 5.32 H new ATOM 0 HE2 PHE A 6 -2.019 0.764 9.743 1.00 24.40 H new ATOM 0 HZ PHE A 6 -1.791 2.687 8.222 1.00 51.55 H new ATOM 131 N PHE A 7 -6.334 -1.966 7.484 1.00 23.24 N ATOM 132 CA PHE A 7 -5.490 -2.900 6.747 1.00 52.53 C ATOM 133 C PHE A 7 -5.844 -2.896 5.263 1.00 72.11 C ATOM 134 O PHE A 7 -4.963 -2.890 4.402 1.00 25.35 O ATOM 135 CB PHE A 7 -5.639 -4.313 7.315 1.00 22.01 C ATOM 136 CG PHE A 7 -4.852 -5.347 6.562 1.00 15.30 C ATOM 137 CD1 PHE A 7 -3.504 -5.158 6.302 1.00 75.13 C ATOM 138 CD2 PHE A 7 -5.461 -6.509 6.115 1.00 61.23 C ATOM 139 CE1 PHE A 7 -2.779 -6.108 5.608 1.00 12.12 C ATOM 140 CE2 PHE A 7 -4.740 -7.463 5.421 1.00 22.23 C ATOM 141 CZ PHE A 7 -3.397 -7.262 5.168 1.00 21.42 C ATOM 0 H PHE A 7 -6.799 -2.370 8.297 1.00 23.24 H new ATOM 0 HA PHE A 7 -4.454 -2.580 6.857 1.00 52.53 H new ATOM 0 HB2 PHE A 7 -5.320 -4.313 8.357 1.00 22.01 H new ATOM 0 HB3 PHE A 7 -6.693 -4.591 7.304 1.00 22.01 H new ATOM 0 HD1 PHE A 7 -3.015 -4.259 6.645 1.00 75.13 H new ATOM 0 HD2 PHE A 7 -6.511 -6.671 6.311 1.00 61.23 H new ATOM 0 HE1 PHE A 7 -1.729 -5.948 5.410 1.00 12.12 H new ATOM 0 HE2 PHE A 7 -5.226 -8.364 5.077 1.00 22.23 H new ATOM 0 HZ PHE A 7 -2.831 -8.006 4.627 1.00 21.42 H new ATOM 151 N LYS A 8 -7.139 -2.900 4.969 1.00 54.10 N ATOM 152 CA LYS A 8 -7.613 -2.896 3.590 1.00 30.42 C ATOM 153 C LYS A 8 -7.281 -1.573 2.905 1.00 72.33 C ATOM 154 O LYS A 8 -7.130 -1.516 1.685 1.00 50.43 O ATOM 155 CB LYS A 8 -9.122 -3.141 3.546 1.00 34.31 C ATOM 156 CG LYS A 8 -9.575 -4.305 4.411 1.00 13.22 C ATOM 157 CD LYS A 8 -8.855 -5.590 4.039 1.00 44.20 C ATOM 158 CE LYS A 8 -9.687 -6.815 4.384 1.00 23.13 C ATOM 159 NZ LYS A 8 -10.665 -7.141 3.311 1.00 72.52 N ATOM 0 H LYS A 8 -7.881 -2.906 5.669 1.00 54.10 H new ATOM 0 HA LYS A 8 -7.106 -3.699 3.056 1.00 30.42 H new ATOM 0 HB2 LYS A 8 -9.638 -2.237 3.869 1.00 34.31 H new ATOM 0 HB3 LYS A 8 -9.421 -3.328 2.515 1.00 34.31 H new ATOM 0 HG2 LYS A 8 -9.390 -4.074 5.460 1.00 13.22 H new ATOM 0 HG3 LYS A 8 -10.650 -4.444 4.301 1.00 13.22 H new ATOM 0 HD2 LYS A 8 -8.633 -5.588 2.972 1.00 44.20 H new ATOM 0 HD3 LYS A 8 -7.900 -5.638 4.563 1.00 44.20 H new ATOM 0 HE2 LYS A 8 -9.028 -7.668 4.546 1.00 23.13 H new ATOM 0 HE3 LYS A 8 -10.219 -6.641 5.319 1.00 23.13 H new ATOM 0 HZ1 LYS A 8 -11.213 -7.982 3.584 1.00 72.52 H new ATOM 0 HZ2 LYS A 8 -11.310 -6.337 3.174 1.00 72.52 H new ATOM 0 HZ3 LYS A 8 -10.156 -7.332 2.424 1.00 72.52 H new ATOM 173 N LYS A 9 -7.170 -0.514 3.697 1.00 25.14 N ATOM 174 CA LYS A 9 -6.853 0.808 3.169 1.00 55.25 C ATOM 175 C LYS A 9 -5.362 0.933 2.873 1.00 13.34 C ATOM 176 O LYS A 9 -4.964 1.581 1.905 1.00 71.03 O ATOM 177 CB LYS A 9 -7.281 1.893 4.161 1.00 32.21 C ATOM 178 CG LYS A 9 -7.141 3.303 3.616 1.00 12.54 C ATOM 179 CD LYS A 9 -5.856 3.959 4.090 1.00 20.13 C ATOM 180 CE LYS A 9 -6.122 4.988 5.179 1.00 41.05 C ATOM 181 NZ LYS A 9 -5.173 6.133 5.104 1.00 63.44 N ATOM 0 H LYS A 9 -7.295 -0.544 4.709 1.00 25.14 H new ATOM 0 HA LYS A 9 -7.402 0.940 2.237 1.00 55.25 H new ATOM 0 HB2 LYS A 9 -8.319 1.724 4.446 1.00 32.21 H new ATOM 0 HB3 LYS A 9 -6.683 1.802 5.067 1.00 32.21 H new ATOM 0 HG2 LYS A 9 -7.156 3.276 2.526 1.00 12.54 H new ATOM 0 HG3 LYS A 9 -7.995 3.903 3.932 1.00 12.54 H new ATOM 0 HD2 LYS A 9 -5.175 3.196 4.468 1.00 20.13 H new ATOM 0 HD3 LYS A 9 -5.360 4.440 3.247 1.00 20.13 H new ATOM 0 HE2 LYS A 9 -7.144 5.357 5.088 1.00 41.05 H new ATOM 0 HE3 LYS A 9 -6.040 4.512 6.156 1.00 41.05 H new ATOM 0 HZ1 LYS A 9 -5.387 6.812 5.862 1.00 63.44 H new ATOM 0 HZ2 LYS A 9 -4.199 5.785 5.216 1.00 63.44 H new ATOM 0 HZ3 LYS A 9 -5.269 6.603 4.181 1.00 63.44 H new ATOM 195 N VAL A 10 -4.543 0.310 3.713 1.00 61.43 N ATOM 196 CA VAL A 10 -3.096 0.350 3.540 1.00 22.41 C ATOM 197 C VAL A 10 -2.679 -0.327 2.239 1.00 40.30 C ATOM 198 O VAL A 10 -1.655 0.015 1.647 1.00 2.15 O ATOM 199 CB VAL A 10 -2.371 -0.332 4.715 1.00 24.45 C ATOM 200 CG1 VAL A 10 -0.875 -0.067 4.646 1.00 21.23 C ATOM 201 CG2 VAL A 10 -2.945 0.142 6.042 1.00 65.24 C ATOM 0 H VAL A 10 -4.857 -0.229 4.520 1.00 61.43 H new ATOM 0 HA VAL A 10 -2.811 1.401 3.507 1.00 22.41 H new ATOM 0 HB VAL A 10 -2.528 -1.408 4.641 1.00 24.45 H new ATOM 0 HG11 VAL A 10 -0.380 -0.557 5.484 1.00 21.23 H new ATOM 0 HG12 VAL A 10 -0.479 -0.461 3.710 1.00 21.23 H new ATOM 0 HG13 VAL A 10 -0.693 1.007 4.694 1.00 21.23 H new ATOM 0 HG21 VAL A 10 -2.421 -0.350 6.862 1.00 65.24 H new ATOM 0 HG22 VAL A 10 -2.820 1.221 6.128 1.00 65.24 H new ATOM 0 HG23 VAL A 10 -4.006 -0.105 6.089 1.00 65.24 H new ATOM 211 N LYS A 11 -3.481 -1.290 1.797 1.00 63.55 N ATOM 212 CA LYS A 11 -3.197 -2.016 0.564 1.00 62.03 C ATOM 213 C LYS A 11 -3.134 -1.062 -0.626 1.00 74.54 C ATOM 214 O LYS A 11 -2.396 -1.296 -1.584 1.00 32.52 O ATOM 215 CB LYS A 11 -4.266 -3.083 0.319 1.00 64.30 C ATOM 216 CG LYS A 11 -4.427 -4.058 1.472 1.00 13.23 C ATOM 217 CD LYS A 11 -4.004 -5.463 1.079 1.00 50.23 C ATOM 218 CE LYS A 11 -5.061 -6.146 0.225 1.00 13.35 C ATOM 219 NZ LYS A 11 -4.462 -6.853 -0.940 1.00 72.21 N ATOM 0 H LYS A 11 -4.333 -1.586 2.274 1.00 63.55 H new ATOM 0 HA LYS A 11 -2.227 -2.500 0.672 1.00 62.03 H new ATOM 0 HB2 LYS A 11 -5.221 -2.592 0.133 1.00 64.30 H new ATOM 0 HB3 LYS A 11 -4.012 -3.639 -0.583 1.00 64.30 H new ATOM 0 HG2 LYS A 11 -3.830 -3.721 2.320 1.00 13.23 H new ATOM 0 HG3 LYS A 11 -5.467 -4.068 1.798 1.00 13.23 H new ATOM 0 HD2 LYS A 11 -3.063 -5.421 0.530 1.00 50.23 H new ATOM 0 HD3 LYS A 11 -3.823 -6.054 1.977 1.00 50.23 H new ATOM 0 HE2 LYS A 11 -5.616 -6.858 0.835 1.00 13.35 H new ATOM 0 HE3 LYS A 11 -5.776 -5.404 -0.129 1.00 13.35 H new ATOM 0 HZ1 LYS A 11 -5.215 -7.305 -1.496 1.00 72.21 H new ATOM 0 HZ2 LYS A 11 -3.953 -6.170 -1.537 1.00 72.21 H new ATOM 0 HZ3 LYS A 11 -3.798 -7.579 -0.602 1.00 72.21 H new ATOM 233 N LYS A 12 -3.911 0.013 -0.559 1.00 34.31 N ATOM 234 CA LYS A 12 -3.942 1.004 -1.628 1.00 63.55 C ATOM 235 C LYS A 12 -2.725 1.920 -1.556 1.00 64.42 C ATOM 236 O LYS A 12 -2.043 2.142 -2.557 1.00 35.32 O ATOM 237 CB LYS A 12 -5.225 1.834 -1.545 1.00 44.14 C ATOM 238 CG LYS A 12 -6.364 1.277 -2.381 1.00 31.01 C ATOM 239 CD LYS A 12 -6.527 2.042 -3.683 1.00 45.42 C ATOM 240 CE LYS A 12 -7.979 2.077 -4.133 1.00 64.40 C ATOM 241 NZ LYS A 12 -8.259 1.059 -5.184 1.00 40.02 N ATOM 0 H LYS A 12 -4.529 0.221 0.226 1.00 34.31 H new ATOM 0 HA LYS A 12 -3.920 0.475 -2.581 1.00 63.55 H new ATOM 0 HB2 LYS A 12 -5.544 1.892 -0.504 1.00 44.14 H new ATOM 0 HB3 LYS A 12 -5.011 2.852 -1.870 1.00 44.14 H new ATOM 0 HG2 LYS A 12 -6.177 0.225 -2.597 1.00 31.01 H new ATOM 0 HG3 LYS A 12 -7.292 1.325 -1.811 1.00 31.01 H new ATOM 0 HD2 LYS A 12 -6.160 3.061 -3.556 1.00 45.42 H new ATOM 0 HD3 LYS A 12 -5.916 1.578 -4.457 1.00 45.42 H new ATOM 0 HE2 LYS A 12 -8.629 1.902 -3.276 1.00 64.40 H new ATOM 0 HE3 LYS A 12 -8.217 3.069 -4.516 1.00 64.40 H new ATOM 0 HZ1 LYS A 12 -9.259 1.115 -5.464 1.00 40.02 H new ATOM 0 HZ2 LYS A 12 -7.657 1.241 -6.012 1.00 40.02 H new ATOM 0 HZ3 LYS A 12 -8.057 0.110 -4.810 1.00 40.02 H new ATOM 255 N SER A 13 -2.456 2.448 -0.366 1.00 75.21 N ATOM 256 CA SER A 13 -1.323 3.342 -0.164 1.00 61.45 C ATOM 257 C SER A 13 -0.005 2.615 -0.418 1.00 71.34 C ATOM 258 O SER A 13 0.812 3.052 -1.230 1.00 74.21 O ATOM 259 CB SER A 13 -1.339 3.909 1.257 1.00 71.03 C ATOM 260 OG SER A 13 -1.559 5.308 1.244 1.00 15.13 O ATOM 0 H SER A 13 -3.008 2.271 0.473 1.00 75.21 H new ATOM 0 HA SER A 13 -1.409 4.163 -0.876 1.00 61.45 H new ATOM 0 HB2 SER A 13 -2.121 3.420 1.838 1.00 71.03 H new ATOM 0 HB3 SER A 13 -0.391 3.691 1.750 1.00 71.03 H new ATOM 0 HG SER A 13 -1.567 5.646 2.164 1.00 15.13 H new ATOM 266 N VAL A 14 0.193 1.502 0.280 1.00 21.23 N ATOM 267 CA VAL A 14 1.410 0.713 0.131 1.00 23.20 C ATOM 268 C VAL A 14 1.594 0.255 -1.312 1.00 31.24 C ATOM 269 O VAL A 14 2.719 0.120 -1.793 1.00 71.13 O ATOM 270 CB VAL A 14 1.395 -0.523 1.052 1.00 12.42 C ATOM 271 CG1 VAL A 14 2.520 -1.477 0.684 1.00 63.10 C ATOM 272 CG2 VAL A 14 1.497 -0.100 2.510 1.00 2.20 C ATOM 0 H VAL A 14 -0.474 1.126 0.954 1.00 21.23 H new ATOM 0 HA VAL A 14 2.242 1.358 0.414 1.00 23.20 H new ATOM 0 HB VAL A 14 0.449 -1.047 0.915 1.00 12.42 H new ATOM 0 HG11 VAL A 14 2.493 -2.343 1.345 1.00 63.10 H new ATOM 0 HG12 VAL A 14 2.396 -1.804 -0.348 1.00 63.10 H new ATOM 0 HG13 VAL A 14 3.478 -0.968 0.791 1.00 63.10 H new ATOM 0 HG21 VAL A 14 1.485 -0.984 3.147 1.00 2.20 H new ATOM 0 HG22 VAL A 14 2.427 0.447 2.666 1.00 2.20 H new ATOM 0 HG23 VAL A 14 0.652 0.541 2.763 1.00 2.20 H new ATOM 282 N LYS A 15 0.481 0.018 -1.998 1.00 61.21 N ATOM 283 CA LYS A 15 0.518 -0.424 -3.387 1.00 4.54 C ATOM 284 C LYS A 15 1.401 0.495 -4.226 1.00 63.53 C ATOM 285 O LYS A 15 2.196 0.030 -5.045 1.00 3.44 O ATOM 286 CB LYS A 15 -0.897 -0.461 -3.969 1.00 65.05 C ATOM 287 CG LYS A 15 -1.405 -1.866 -4.245 1.00 4.34 C ATOM 288 CD LYS A 15 -2.819 -1.848 -4.800 1.00 52.43 C ATOM 289 CE LYS A 15 -2.821 -1.791 -6.320 1.00 31.42 C ATOM 290 NZ LYS A 15 -3.192 -3.101 -6.923 1.00 50.55 N ATOM 0 H LYS A 15 -0.458 0.125 -1.614 1.00 61.21 H new ATOM 0 HA LYS A 15 0.941 -1.428 -3.413 1.00 4.54 H new ATOM 0 HB2 LYS A 15 -1.579 0.033 -3.277 1.00 65.05 H new ATOM 0 HB3 LYS A 15 -0.914 0.111 -4.897 1.00 65.05 H new ATOM 0 HG2 LYS A 15 -0.741 -2.361 -4.954 1.00 4.34 H new ATOM 0 HG3 LYS A 15 -1.382 -2.450 -3.325 1.00 4.34 H new ATOM 0 HD2 LYS A 15 -3.353 -2.738 -4.468 1.00 52.43 H new ATOM 0 HD3 LYS A 15 -3.356 -0.987 -4.402 1.00 52.43 H new ATOM 0 HE2 LYS A 15 -3.522 -1.026 -6.654 1.00 31.42 H new ATOM 0 HE3 LYS A 15 -1.833 -1.495 -6.674 1.00 31.42 H new ATOM 0 HZ1 LYS A 15 -3.182 -3.021 -7.960 1.00 50.55 H new ATOM 0 HZ2 LYS A 15 -2.509 -3.826 -6.625 1.00 50.55 H new ATOM 0 HZ3 LYS A 15 -4.145 -3.372 -6.606 1.00 50.55 H new ATOM 304 N LYS A 16 1.257 1.798 -4.018 1.00 4.22 N ATOM 305 CA LYS A 16 2.043 2.782 -4.753 1.00 1.15 C ATOM 306 C LYS A 16 3.502 2.755 -4.309 1.00 23.12 C ATOM 307 O LYS A 16 4.401 3.097 -5.077 1.00 42.30 O ATOM 308 CB LYS A 16 1.463 4.184 -4.549 1.00 21.34 C ATOM 309 CG LYS A 16 0.113 4.387 -5.214 1.00 64.33 C ATOM 310 CD LYS A 16 -0.415 5.793 -4.988 1.00 22.52 C ATOM 311 CE LYS A 16 -1.044 5.937 -3.610 1.00 61.52 C ATOM 312 NZ LYS A 16 -2.502 5.637 -3.632 1.00 21.12 N ATOM 0 H LYS A 16 0.603 2.198 -3.346 1.00 4.22 H new ATOM 0 HA LYS A 16 1.999 2.527 -5.812 1.00 1.15 H new ATOM 0 HB2 LYS A 16 1.365 4.375 -3.480 1.00 21.34 H new ATOM 0 HB3 LYS A 16 2.166 4.919 -4.941 1.00 21.34 H new ATOM 0 HG2 LYS A 16 0.202 4.198 -6.284 1.00 64.33 H new ATOM 0 HG3 LYS A 16 -0.600 3.662 -4.821 1.00 64.33 H new ATOM 0 HD2 LYS A 16 0.399 6.510 -5.094 1.00 22.52 H new ATOM 0 HD3 LYS A 16 -1.153 6.033 -5.753 1.00 22.52 H new ATOM 0 HE2 LYS A 16 -0.545 5.265 -2.911 1.00 61.52 H new ATOM 0 HE3 LYS A 16 -0.887 6.952 -3.244 1.00 61.52 H new ATOM 0 HZ1 LYS A 16 -2.893 5.746 -2.675 1.00 21.12 H new ATOM 0 HZ2 LYS A 16 -2.982 6.294 -4.279 1.00 21.12 H new ATOM 0 HZ3 LYS A 16 -2.651 4.660 -3.957 1.00 21.12 H new ATOM 326 N ARG A 17 3.730 2.345 -3.065 1.00 50.24 N ATOM 327 CA ARG A 17 5.080 2.273 -2.520 1.00 30.25 C ATOM 328 C ARG A 17 5.980 1.416 -3.406 1.00 53.52 C ATOM 329 O ARG A 17 7.183 1.660 -3.508 1.00 60.11 O ATOM 330 CB ARG A 17 5.050 1.700 -1.101 1.00 70.33 C ATOM 331 CG ARG A 17 6.151 2.239 -0.204 1.00 3.22 C ATOM 332 CD ARG A 17 5.671 3.427 0.616 1.00 30.40 C ATOM 333 NE ARG A 17 6.210 3.409 1.973 1.00 21.21 N ATOM 334 CZ ARG A 17 5.882 4.297 2.906 1.00 25.51 C ATOM 335 NH1 ARG A 17 5.022 5.267 2.629 1.00 34.11 N ATOM 336 NH2 ARG A 17 6.415 4.215 4.118 1.00 30.24 N ATOM 0 H ARG A 17 2.997 2.058 -2.416 1.00 50.24 H new ATOM 0 HA ARG A 17 5.486 3.284 -2.489 1.00 30.25 H new ATOM 0 HB2 ARG A 17 4.083 1.922 -0.649 1.00 70.33 H new ATOM 0 HB3 ARG A 17 5.135 0.615 -1.155 1.00 70.33 H new ATOM 0 HG2 ARG A 17 6.496 1.450 0.464 1.00 3.22 H new ATOM 0 HG3 ARG A 17 7.005 2.537 -0.813 1.00 3.22 H new ATOM 0 HD2 ARG A 17 5.966 4.352 0.121 1.00 30.40 H new ATOM 0 HD3 ARG A 17 4.582 3.422 0.658 1.00 30.40 H new ATOM 0 HE ARG A 17 6.874 2.675 2.218 1.00 21.21 H new ATOM 0 HH11 ARG A 17 4.610 5.333 1.698 1.00 34.11 H new ATOM 0 HH12 ARG A 17 4.772 5.947 3.347 1.00 34.11 H new ATOM 0 HH21 ARG A 17 7.077 3.470 4.335 1.00 30.24 H new ATOM 0 HH22 ARG A 17 6.163 4.897 4.833 1.00 30.24 H new ATOM 350 N LEU A 18 5.389 0.413 -4.046 1.00 71.04 N ATOM 351 CA LEU A 18 6.137 -0.481 -4.924 1.00 53.31 C ATOM 352 C LEU A 18 6.643 0.265 -6.154 1.00 64.04 C ATOM 353 O LEU A 18 7.644 -0.123 -6.760 1.00 12.44 O ATOM 354 CB LEU A 18 5.259 -1.658 -5.352 1.00 62.03 C ATOM 355 CG LEU A 18 5.139 -2.805 -4.349 1.00 74.52 C ATOM 356 CD1 LEU A 18 3.707 -3.315 -4.289 1.00 63.31 C ATOM 357 CD2 LEU A 18 6.094 -3.933 -4.712 1.00 34.30 C ATOM 0 H LEU A 18 4.395 0.198 -3.974 1.00 71.04 H new ATOM 0 HA LEU A 18 6.997 -0.860 -4.372 1.00 53.31 H new ATOM 0 HB2 LEU A 18 4.258 -1.281 -5.564 1.00 62.03 H new ATOM 0 HB3 LEU A 18 5.653 -2.058 -6.286 1.00 62.03 H new ATOM 0 HG LEU A 18 5.410 -2.429 -3.363 1.00 74.52 H new ATOM 0 HD11 LEU A 18 3.641 -4.131 -3.570 1.00 63.31 H new ATOM 0 HD12 LEU A 18 3.045 -2.506 -3.981 1.00 63.31 H new ATOM 0 HD13 LEU A 18 3.407 -3.674 -5.274 1.00 63.31 H new ATOM 0 HD21 LEU A 18 5.995 -4.741 -3.987 1.00 34.30 H new ATOM 0 HD22 LEU A 18 5.854 -4.307 -5.707 1.00 34.30 H new ATOM 0 HD23 LEU A 18 7.118 -3.560 -4.702 1.00 34.30 H new ATOM 369 N LYS A 19 5.949 1.337 -6.519 1.00 54.23 N ATOM 370 CA LYS A 19 6.329 2.139 -7.675 1.00 50.42 C ATOM 371 C LYS A 19 7.797 2.545 -7.596 1.00 62.03 C ATOM 372 O LYS A 19 8.461 2.716 -8.619 1.00 13.23 O ATOM 373 CB LYS A 19 5.448 3.387 -7.768 1.00 4.24 C ATOM 374 CG LYS A 19 5.727 4.238 -8.995 1.00 54.53 C ATOM 375 CD LYS A 19 4.475 4.429 -9.836 1.00 42.12 C ATOM 376 CE LYS A 19 4.818 4.867 -11.253 1.00 73.41 C ATOM 377 NZ LYS A 19 3.600 5.206 -12.038 1.00 55.11 N ATOM 0 H LYS A 19 5.119 1.671 -6.030 1.00 54.23 H new ATOM 0 HA LYS A 19 6.185 1.533 -8.569 1.00 50.42 H new ATOM 0 HB2 LYS A 19 4.401 3.083 -7.777 1.00 4.24 H new ATOM 0 HB3 LYS A 19 5.596 3.993 -6.874 1.00 4.24 H new ATOM 0 HG2 LYS A 19 6.111 5.210 -8.685 1.00 54.53 H new ATOM 0 HG3 LYS A 19 6.503 3.766 -9.598 1.00 54.53 H new ATOM 0 HD2 LYS A 19 3.911 3.497 -9.868 1.00 42.12 H new ATOM 0 HD3 LYS A 19 3.832 5.175 -9.369 1.00 42.12 H new ATOM 0 HE2 LYS A 19 5.479 5.733 -11.216 1.00 73.41 H new ATOM 0 HE3 LYS A 19 5.365 4.070 -11.757 1.00 73.41 H new ATOM 0 HZ1 LYS A 19 3.876 5.499 -12.997 1.00 55.11 H new ATOM 0 HZ2 LYS A 19 2.981 4.372 -12.096 1.00 55.11 H new ATOM 0 HZ3 LYS A 19 3.091 5.983 -11.571 1.00 55.11 H new ATOM 391 N LYS A 20 8.300 2.697 -6.375 1.00 60.22 N ATOM 392 CA LYS A 20 9.690 3.079 -6.162 1.00 51.12 C ATOM 393 C LYS A 20 10.619 1.883 -6.349 1.00 50.41 C ATOM 394 O LYS A 20 11.741 2.028 -6.834 1.00 60.54 O ATOM 395 CB LYS A 20 9.871 3.663 -4.759 1.00 13.44 C ATOM 396 CG LYS A 20 9.987 5.178 -4.740 1.00 70.40 C ATOM 397 CD LYS A 20 11.428 5.628 -4.912 1.00 63.22 C ATOM 398 CE LYS A 20 11.730 5.994 -6.357 1.00 14.13 C ATOM 399 NZ LYS A 20 12.497 7.266 -6.458 1.00 30.11 N ATOM 0 H LYS A 20 7.764 2.561 -5.518 1.00 60.22 H new ATOM 0 HA LYS A 20 9.949 3.837 -6.901 1.00 51.12 H new ATOM 0 HB2 LYS A 20 9.026 3.364 -4.139 1.00 13.44 H new ATOM 0 HB3 LYS A 20 10.765 3.233 -4.308 1.00 13.44 H new ATOM 0 HG2 LYS A 20 9.375 5.601 -5.537 1.00 70.40 H new ATOM 0 HG3 LYS A 20 9.595 5.562 -3.799 1.00 70.40 H new ATOM 0 HD2 LYS A 20 11.621 6.488 -4.270 1.00 63.22 H new ATOM 0 HD3 LYS A 20 12.100 4.832 -4.589 1.00 63.22 H new ATOM 0 HE2 LYS A 20 12.298 5.189 -6.824 1.00 14.13 H new ATOM 0 HE3 LYS A 20 10.796 6.088 -6.911 1.00 14.13 H new ATOM 0 HZ1 LYS A 20 11.852 8.041 -6.715 1.00 30.11 H new ATOM 0 HZ2 LYS A 20 12.943 7.476 -5.542 1.00 30.11 H new ATOM 0 HZ3 LYS A 20 13.232 7.171 -7.187 1.00 30.11 H new ATOM 413 N ILE A 21 10.143 0.705 -5.964 1.00 31.04 N ATOM 414 CA ILE A 21 10.930 -0.515 -6.092 1.00 51.14 C ATOM 415 C ILE A 21 11.052 -0.940 -7.552 1.00 31.54 C ATOM 416 O ILE A 21 12.025 -1.585 -7.943 1.00 30.21 O ATOM 417 CB ILE A 21 10.313 -1.671 -5.282 1.00 40.04 C ATOM 418 CG1 ILE A 21 10.207 -1.289 -3.805 1.00 43.11 C ATOM 419 CG2 ILE A 21 11.142 -2.937 -5.450 1.00 14.41 C ATOM 420 CD1 ILE A 21 9.467 -2.308 -2.968 1.00 13.20 C ATOM 0 H ILE A 21 9.216 0.569 -5.561 1.00 31.04 H new ATOM 0 HA ILE A 21 11.921 -0.294 -5.696 1.00 51.14 H new ATOM 0 HB ILE A 21 9.309 -1.864 -5.660 1.00 40.04 H new ATOM 0 HG12 ILE A 21 11.210 -1.158 -3.399 1.00 43.11 H new ATOM 0 HG13 ILE A 21 9.701 -0.327 -3.722 1.00 43.11 H new ATOM 0 HG21 ILE A 21 10.694 -3.745 -4.872 1.00 14.41 H new ATOM 0 HG22 ILE A 21 11.170 -3.217 -6.503 1.00 14.41 H new ATOM 0 HG23 ILE A 21 12.157 -2.757 -5.095 1.00 14.41 H new ATOM 0 HD11 ILE A 21 9.431 -1.971 -1.932 1.00 13.20 H new ATOM 0 HD12 ILE A 21 8.452 -2.423 -3.348 1.00 13.20 H new ATOM 0 HD13 ILE A 21 9.984 -3.266 -3.020 1.00 13.20 H new ATOM 432 N PHE A 22 10.058 -0.572 -8.353 1.00 71.04 N ATOM 433 CA PHE A 22 10.053 -0.914 -9.771 1.00 63.21 C ATOM 434 C PHE A 22 10.535 0.261 -10.616 1.00 44.11 C ATOM 435 O PHE A 22 10.047 0.488 -11.723 1.00 22.15 O ATOM 436 CB PHE A 22 8.649 -1.331 -10.213 1.00 30.35 C ATOM 437 CG PHE A 22 8.218 -2.661 -9.663 1.00 21.11 C ATOM 438 CD1 PHE A 22 8.730 -3.840 -10.183 1.00 40.33 C ATOM 439 CD2 PHE A 22 7.302 -2.733 -8.626 1.00 71.11 C ATOM 440 CE1 PHE A 22 8.335 -5.064 -9.680 1.00 34.22 C ATOM 441 CE2 PHE A 22 6.903 -3.955 -8.118 1.00 21.32 C ATOM 442 CZ PHE A 22 7.420 -5.122 -8.645 1.00 64.41 C ATOM 0 H PHE A 22 9.246 -0.037 -8.045 1.00 71.04 H new ATOM 0 HA PHE A 22 10.736 -1.750 -9.919 1.00 63.21 H new ATOM 0 HB2 PHE A 22 7.936 -0.569 -9.899 1.00 30.35 H new ATOM 0 HB3 PHE A 22 8.616 -1.369 -11.302 1.00 30.35 H new ATOM 0 HD1 PHE A 22 9.446 -3.801 -10.991 1.00 40.33 H new ATOM 0 HD2 PHE A 22 6.895 -1.823 -8.210 1.00 71.11 H new ATOM 0 HE1 PHE A 22 8.740 -5.975 -10.095 1.00 34.22 H new ATOM 0 HE2 PHE A 22 6.188 -3.997 -7.310 1.00 21.32 H new ATOM 0 HZ PHE A 22 7.110 -6.078 -8.250 1.00 64.41 H new ATOM 452 N LYS A 23 11.499 1.008 -10.085 1.00 73.13 N ATOM 453 CA LYS A 23 12.049 2.161 -10.788 1.00 75.52 C ATOM 454 C LYS A 23 13.067 1.723 -11.837 1.00 31.42 C ATOM 455 O LYS A 23 13.176 2.330 -12.902 1.00 32.20 O ATOM 456 CB LYS A 23 12.705 3.123 -9.796 1.00 32.21 C ATOM 457 CG LYS A 23 13.404 4.298 -10.459 1.00 34.52 C ATOM 458 CD LYS A 23 13.351 5.541 -9.587 1.00 45.42 C ATOM 459 CE LYS A 23 13.252 6.806 -10.426 1.00 21.01 C ATOM 460 NZ LYS A 23 13.172 8.029 -9.579 1.00 31.31 N ATOM 0 H LYS A 23 11.915 0.835 -9.170 1.00 73.13 H new ATOM 0 HA LYS A 23 11.230 2.673 -11.293 1.00 75.52 H new ATOM 0 HB2 LYS A 23 11.945 3.502 -9.113 1.00 32.21 H new ATOM 0 HB3 LYS A 23 13.429 2.573 -9.194 1.00 32.21 H new ATOM 0 HG2 LYS A 23 14.443 4.038 -10.661 1.00 34.52 H new ATOM 0 HG3 LYS A 23 12.935 4.506 -11.421 1.00 34.52 H new ATOM 0 HD2 LYS A 23 12.494 5.480 -8.916 1.00 45.42 H new ATOM 0 HD3 LYS A 23 14.243 5.587 -8.962 1.00 45.42 H new ATOM 0 HE2 LYS A 23 14.119 6.875 -11.083 1.00 21.01 H new ATOM 0 HE3 LYS A 23 12.372 6.749 -11.066 1.00 21.01 H new ATOM 0 HZ1 LYS A 23 13.106 8.869 -10.188 1.00 31.31 H new ATOM 0 HZ2 LYS A 23 12.330 7.975 -8.970 1.00 31.31 H new ATOM 0 HZ3 LYS A 23 14.024 8.097 -8.986 1.00 31.31 H new ATOM 474 N LYS A 24 13.809 0.665 -11.528 1.00 43.11 N ATOM 475 CA LYS A 24 14.817 0.143 -12.445 1.00 32.04 C ATOM 476 C LYS A 24 14.221 -0.093 -13.830 1.00 3.45 C ATOM 477 O LYS A 24 13.019 -0.301 -13.987 1.00 52.14 O ATOM 478 CB LYS A 24 15.404 -1.160 -11.901 1.00 71.31 C ATOM 479 CG LYS A 24 14.356 -2.206 -11.564 1.00 53.05 C ATOM 480 CD LYS A 24 14.590 -2.809 -10.190 1.00 24.05 C ATOM 481 CE LYS A 24 15.940 -3.507 -10.110 1.00 32.13 C ATOM 482 NZ LYS A 24 15.796 -4.960 -9.821 1.00 64.10 N ATOM 0 H LYS A 24 13.732 0.152 -10.650 1.00 43.11 H new ATOM 0 HA LYS A 24 15.612 0.883 -12.532 1.00 32.04 H new ATOM 0 HB2 LYS A 24 16.094 -1.573 -12.637 1.00 71.31 H new ATOM 0 HB3 LYS A 24 15.987 -0.940 -11.006 1.00 71.31 H new ATOM 0 HG2 LYS A 24 13.365 -1.754 -11.599 1.00 53.05 H new ATOM 0 HG3 LYS A 24 14.373 -2.995 -12.316 1.00 53.05 H new ATOM 0 HD2 LYS A 24 14.539 -2.025 -9.434 1.00 24.05 H new ATOM 0 HD3 LYS A 24 13.797 -3.522 -9.964 1.00 24.05 H new ATOM 0 HE2 LYS A 24 16.474 -3.375 -11.051 1.00 32.13 H new ATOM 0 HE3 LYS A 24 16.545 -3.040 -9.333 1.00 32.13 H new ATOM 0 HZ1 LYS A 24 16.737 -5.400 -9.774 1.00 64.10 H new ATOM 0 HZ2 LYS A 24 15.309 -5.086 -8.911 1.00 64.10 H new ATOM 0 HZ3 LYS A 24 15.240 -5.411 -10.576 1.00 64.10 H new ATOM 496 N PRO A 25 15.083 -0.063 -14.857 1.00 71.14 N ATOM 497 CA PRO A 25 14.665 -0.274 -16.247 1.00 31.02 C ATOM 498 C PRO A 25 14.246 -1.716 -16.513 1.00 52.10 C ATOM 499 O PRO A 25 15.086 -2.611 -16.597 1.00 75.45 O ATOM 500 CB PRO A 25 15.920 0.075 -17.051 1.00 13.21 C ATOM 501 CG PRO A 25 17.051 -0.163 -16.112 1.00 22.02 C ATOM 502 CD PRO A 25 16.531 0.179 -14.742 1.00 73.42 C ATOM 0 HA PRO A 25 13.794 0.328 -16.507 1.00 31.02 H new ATOM 0 HB2 PRO A 25 16.006 -0.549 -17.941 1.00 13.21 H new ATOM 0 HB3 PRO A 25 15.898 1.111 -17.389 1.00 13.21 H new ATOM 0 HG2 PRO A 25 17.383 -1.200 -16.156 1.00 22.02 H new ATOM 0 HG3 PRO A 25 17.909 0.457 -16.370 1.00 22.02 H new ATOM 0 HD2 PRO A 25 16.983 -0.447 -13.973 1.00 73.42 H new ATOM 0 HD3 PRO A 25 16.746 1.214 -14.478 1.00 73.42 H new ATOM 510 N MET A 26 12.941 -1.933 -16.645 1.00 52.12 N ATOM 511 CA MET A 26 12.411 -3.266 -16.904 1.00 62.51 C ATOM 512 C MET A 26 12.404 -3.568 -18.400 1.00 32.14 C ATOM 513 O MET A 26 13.167 -4.408 -18.877 1.00 60.01 O ATOM 514 CB MET A 26 10.994 -3.394 -16.340 1.00 45.10 C ATOM 515 CG MET A 26 10.914 -4.254 -15.089 1.00 50.22 C ATOM 516 SD MET A 26 9.648 -5.532 -15.205 1.00 53.11 S ATOM 517 CE MET A 26 10.508 -6.928 -14.485 1.00 14.50 C ATOM 0 H MET A 26 12.232 -1.203 -16.577 1.00 52.12 H new ATOM 0 HA MET A 26 13.059 -3.989 -16.408 1.00 62.51 H new ATOM 0 HB2 MET A 26 10.611 -2.399 -16.112 1.00 45.10 H new ATOM 0 HB3 MET A 26 10.344 -3.818 -17.105 1.00 45.10 H new ATOM 0 HG2 MET A 26 11.882 -4.722 -14.912 1.00 50.22 H new ATOM 0 HG3 MET A 26 10.705 -3.618 -14.228 1.00 50.22 H new ATOM 0 HE1 MET A 26 9.853 -7.799 -14.486 1.00 14.50 H new ATOM 0 HE2 MET A 26 11.402 -7.146 -15.070 1.00 14.50 H new ATOM 0 HE3 MET A 26 10.794 -6.690 -13.460 1.00 14.50 H new ATOM 527 N VAL A 27 11.537 -2.877 -19.134 1.00 24.01 N ATOM 528 CA VAL A 27 11.432 -3.071 -20.575 1.00 72.11 C ATOM 529 C VAL A 27 12.733 -2.698 -21.276 1.00 45.43 C ATOM 530 O VAL A 27 13.379 -1.711 -20.923 1.00 41.32 O ATOM 531 CB VAL A 27 10.283 -2.236 -21.171 1.00 31.54 C ATOM 532 CG1 VAL A 27 10.063 -2.597 -22.632 1.00 31.10 C ATOM 533 CG2 VAL A 27 9.008 -2.436 -20.367 1.00 10.32 C ATOM 0 H VAL A 27 10.898 -2.179 -18.754 1.00 24.01 H new ATOM 0 HA VAL A 27 11.225 -4.129 -20.738 1.00 72.11 H new ATOM 0 HB VAL A 27 10.557 -1.182 -21.119 1.00 31.54 H new ATOM 0 HG11 VAL A 27 9.248 -1.997 -23.036 1.00 31.10 H new ATOM 0 HG12 VAL A 27 10.974 -2.399 -23.197 1.00 31.10 H new ATOM 0 HG13 VAL A 27 9.810 -3.654 -22.711 1.00 31.10 H new ATOM 0 HG21 VAL A 27 8.206 -1.839 -20.802 1.00 10.32 H new ATOM 0 HG22 VAL A 27 8.727 -3.489 -20.386 1.00 10.32 H new ATOM 0 HG23 VAL A 27 9.175 -2.124 -19.336 1.00 10.32 H new ATOM 543 N ILE A 28 13.113 -3.492 -22.271 1.00 75.23 N ATOM 544 CA ILE A 28 14.335 -3.245 -23.023 1.00 45.32 C ATOM 545 C ILE A 28 14.055 -3.166 -24.520 1.00 52.41 C ATOM 546 O ILE A 28 13.205 -3.887 -25.042 1.00 63.20 O ATOM 547 CB ILE A 28 15.387 -4.341 -22.767 1.00 71.01 C ATOM 548 CG1 ILE A 28 15.702 -4.436 -21.273 1.00 32.43 C ATOM 549 CG2 ILE A 28 16.652 -4.059 -23.563 1.00 51.02 C ATOM 550 CD1 ILE A 28 16.502 -5.665 -20.901 1.00 14.54 C ATOM 0 H ILE A 28 12.590 -4.313 -22.575 1.00 75.23 H new ATOM 0 HA ILE A 28 14.727 -2.288 -22.678 1.00 45.32 H new ATOM 0 HB ILE A 28 14.981 -5.297 -23.096 1.00 71.01 H new ATOM 0 HG12 ILE A 28 16.255 -3.547 -20.969 1.00 32.43 H new ATOM 0 HG13 ILE A 28 14.767 -4.437 -20.712 1.00 32.43 H new ATOM 0 HG21 ILE A 28 17.385 -4.843 -23.371 1.00 51.02 H new ATOM 0 HG22 ILE A 28 16.415 -4.037 -24.627 1.00 51.02 H new ATOM 0 HG23 ILE A 28 17.064 -3.095 -23.263 1.00 51.02 H new ATOM 0 HD11 ILE A 28 16.688 -5.666 -19.827 1.00 14.54 H new ATOM 0 HD12 ILE A 28 15.942 -6.560 -21.173 1.00 14.54 H new ATOM 0 HD13 ILE A 28 17.453 -5.656 -21.434 1.00 14.54 H new ATOM 562 N GLY A 29 14.776 -2.285 -25.207 1.00 41.40 N ATOM 563 CA GLY A 29 14.591 -2.129 -26.638 1.00 55.21 C ATOM 564 C GLY A 29 13.506 -1.126 -26.976 1.00 72.22 C ATOM 565 O GLY A 29 12.603 -1.418 -27.760 1.00 43.30 O ATOM 0 H GLY A 29 15.485 -1.676 -24.798 1.00 41.40 H new ATOM 0 HA2 GLY A 29 15.530 -1.810 -27.090 1.00 55.21 H new ATOM 0 HA3 GLY A 29 14.338 -3.095 -27.076 1.00 55.21 H new ATOM 569 N VAL A 30 13.593 0.060 -26.382 1.00 63.21 N ATOM 570 CA VAL A 30 12.611 1.111 -26.624 1.00 63.44 C ATOM 571 C VAL A 30 13.252 2.491 -26.546 1.00 62.20 C ATOM 572 O VAL A 30 13.882 2.840 -25.547 1.00 52.44 O ATOM 573 CB VAL A 30 11.451 1.037 -25.615 1.00 14.33 C ATOM 574 CG1 VAL A 30 10.558 -0.159 -25.912 1.00 10.21 C ATOM 575 CG2 VAL A 30 11.985 0.973 -24.192 1.00 43.32 C ATOM 0 H VAL A 30 14.334 0.317 -25.730 1.00 63.21 H new ATOM 0 HA VAL A 30 12.219 0.953 -27.629 1.00 63.44 H new ATOM 0 HB VAL A 30 10.850 1.941 -25.713 1.00 14.33 H new ATOM 0 HG11 VAL A 30 9.744 -0.194 -25.188 1.00 10.21 H new ATOM 0 HG12 VAL A 30 10.146 -0.065 -26.917 1.00 10.21 H new ATOM 0 HG13 VAL A 30 11.143 -1.076 -25.844 1.00 10.21 H new ATOM 0 HG21 VAL A 30 11.151 0.921 -23.492 1.00 43.32 H new ATOM 0 HG22 VAL A 30 12.610 0.088 -24.077 1.00 43.32 H new ATOM 0 HG23 VAL A 30 12.577 1.864 -23.985 1.00 43.32 H new ATOM 585 N THR A 31 13.088 3.275 -27.608 1.00 10.22 N ATOM 586 CA THR A 31 13.650 4.618 -27.660 1.00 44.43 C ATOM 587 C THR A 31 12.730 5.572 -28.412 1.00 71.33 C ATOM 588 O THR A 31 12.096 5.190 -29.397 1.00 70.10 O ATOM 589 CB THR A 31 15.035 4.621 -28.335 1.00 24.14 C ATOM 590 OG1 THR A 31 14.942 4.057 -29.647 1.00 42.33 O ATOM 591 CG2 THR A 31 16.041 3.832 -27.509 1.00 42.43 C ATOM 0 H THR A 31 12.570 3.002 -28.443 1.00 10.22 H new ATOM 0 HA THR A 31 13.754 4.956 -26.629 1.00 44.43 H new ATOM 0 HB THR A 31 15.377 5.653 -28.407 1.00 24.14 H new ATOM 0 HG1 THR A 31 15.826 4.064 -30.070 1.00 42.33 H new ATOM 0 HG21 THR A 31 17.011 3.848 -28.005 1.00 42.43 H new ATOM 0 HG22 THR A 31 16.132 4.281 -26.520 1.00 42.43 H new ATOM 0 HG23 THR A 31 15.701 2.801 -27.410 1.00 42.43 H new ATOM 599 N ILE A 32 12.660 6.813 -27.944 1.00 35.44 N ATOM 600 CA ILE A 32 11.817 7.821 -28.575 1.00 25.01 C ATOM 601 C ILE A 32 12.142 7.960 -30.058 1.00 24.13 C ATOM 602 O ILE A 32 13.301 8.082 -30.456 1.00 41.42 O ATOM 603 CB ILE A 32 11.976 9.194 -27.894 1.00 42.03 C ATOM 604 CG1 ILE A 32 10.958 10.188 -28.458 1.00 60.00 C ATOM 605 CG2 ILE A 32 13.393 9.715 -28.081 1.00 5.42 C ATOM 606 CD1 ILE A 32 9.628 10.165 -27.737 1.00 64.41 C ATOM 0 H ILE A 32 13.177 7.145 -27.130 1.00 35.44 H new ATOM 0 HA ILE A 32 10.786 7.486 -28.462 1.00 25.01 H new ATOM 0 HB ILE A 32 11.789 9.079 -26.826 1.00 42.03 H new ATOM 0 HG12 ILE A 32 11.375 11.194 -28.403 1.00 60.00 H new ATOM 0 HG13 ILE A 32 10.794 9.969 -29.513 1.00 60.00 H new ATOM 0 HG21 ILE A 32 13.491 10.686 -27.595 1.00 5.42 H new ATOM 0 HG22 ILE A 32 14.100 9.014 -27.637 1.00 5.42 H new ATOM 0 HG23 ILE A 32 13.605 9.819 -29.145 1.00 5.42 H new ATOM 0 HD11 ILE A 32 8.956 10.894 -28.190 1.00 64.41 H new ATOM 0 HD12 ILE A 32 9.189 9.170 -27.814 1.00 64.41 H new ATOM 0 HD13 ILE A 32 9.779 10.414 -26.687 1.00 64.41 H new ATOM 618 N PRO A 33 11.097 7.943 -30.897 1.00 14.02 N ATOM 619 CA PRO A 33 11.245 8.069 -32.350 1.00 23.43 C ATOM 620 C PRO A 33 11.684 9.467 -32.769 1.00 72.21 C ATOM 621 O PRO A 33 12.623 9.626 -33.551 1.00 15.03 O ATOM 622 CB PRO A 33 9.840 7.768 -32.878 1.00 30.44 C ATOM 623 CG PRO A 33 8.930 8.118 -31.752 1.00 74.41 C ATOM 624 CD PRO A 33 9.688 7.801 -30.492 1.00 71.43 C ATOM 0 HA PRO A 33 12.013 7.402 -32.740 1.00 23.43 H new ATOM 0 HB2 PRO A 33 9.616 8.358 -33.766 1.00 30.44 H new ATOM 0 HB3 PRO A 33 9.738 6.720 -33.158 1.00 30.44 H new ATOM 0 HG2 PRO A 33 8.654 9.172 -31.787 1.00 74.41 H new ATOM 0 HG3 PRO A 33 8.005 7.544 -31.805 1.00 74.41 H new ATOM 0 HD2 PRO A 33 9.431 8.487 -29.685 1.00 71.43 H new ATOM 0 HD3 PRO A 33 9.472 6.794 -30.136 1.00 71.43 H new ATOM 632 N PHE A 34 11.000 10.479 -32.245 1.00 60.10 N ATOM 633 CA PHE A 34 11.320 11.865 -32.566 1.00 13.02 C ATOM 634 C PHE A 34 11.309 12.090 -34.075 1.00 1.44 C ATOM 635 O PHE A 34 12.324 11.907 -34.747 1.00 12.22 O ATOM 636 CB PHE A 34 12.687 12.242 -31.992 1.00 71.34 C ATOM 637 CG PHE A 34 12.628 13.349 -30.980 1.00 32.53 C ATOM 638 CD1 PHE A 34 11.708 13.311 -29.944 1.00 54.11 C ATOM 639 CD2 PHE A 34 13.493 14.429 -31.062 1.00 73.32 C ATOM 640 CE1 PHE A 34 11.651 14.329 -29.011 1.00 45.32 C ATOM 641 CE2 PHE A 34 13.441 15.450 -30.132 1.00 71.43 C ATOM 642 CZ PHE A 34 12.519 15.399 -29.104 1.00 65.15 C ATOM 0 H PHE A 34 10.221 10.365 -31.597 1.00 60.10 H new ATOM 0 HA PHE A 34 10.558 12.501 -32.116 1.00 13.02 H new ATOM 0 HB2 PHE A 34 13.133 11.362 -31.530 1.00 71.34 H new ATOM 0 HB3 PHE A 34 13.345 12.541 -32.808 1.00 71.34 H new ATOM 0 HD1 PHE A 34 11.028 12.476 -29.865 1.00 54.11 H new ATOM 0 HD2 PHE A 34 14.217 14.473 -31.863 1.00 73.32 H new ATOM 0 HE1 PHE A 34 10.928 14.288 -28.210 1.00 45.32 H new ATOM 0 HE2 PHE A 34 14.120 16.286 -30.209 1.00 71.43 H new ATOM 0 HZ PHE A 34 12.477 16.194 -28.375 1.00 65.15 H new TER 652 PHE A 34