USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=5 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 Single : A 1 LYS N :NH3+ 167:sc= -0.126 (180deg=-0.436) 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 20 LYS NZ :NH3+ -156:sc= -0.0815 (180deg=-0.391) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0486) 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 -11.707 -5.623 16.381 1.00 13.00 N ATOM 2 CA LYS A 1 -10.942 -5.625 15.140 1.00 3.51 C ATOM 3 C LYS A 1 -11.334 -4.444 14.257 1.00 33.32 C ATOM 4 O LYS A 1 -12.045 -4.608 13.265 1.00 24.51 O ATOM 5 CB LYS A 1 -11.161 -6.936 14.383 1.00 23.42 C ATOM 6 CG LYS A 1 -12.623 -7.324 14.248 1.00 52.43 C ATOM 7 CD LYS A 1 -12.981 -8.482 15.164 1.00 3.53 C ATOM 8 CE LYS A 1 -14.432 -8.903 14.990 1.00 43.02 C ATOM 9 NZ LYS A 1 -15.284 -8.440 16.120 1.00 25.02 N ATOM 0 H1 LYS A 1 -11.591 -6.538 16.862 1.00 13.00 H new ATOM 0 H2 LYS A 1 -11.363 -4.861 16.999 1.00 13.00 H new ATOM 0 H3 LYS A 1 -12.713 -5.469 16.168 1.00 13.00 H new ATOM 0 HA LYS A 1 -9.886 -5.532 15.394 1.00 3.51 H new ATOM 0 HB2 LYS A 1 -10.724 -6.849 13.388 1.00 23.42 H new ATOM 0 HB3 LYS A 1 -10.628 -7.736 14.897 1.00 23.42 H new ATOM 0 HG2 LYS A 1 -13.251 -6.465 14.484 1.00 52.43 H new ATOM 0 HG3 LYS A 1 -12.833 -7.599 13.214 1.00 52.43 H new ATOM 0 HD2 LYS A 1 -12.328 -9.329 14.954 1.00 3.53 H new ATOM 0 HD3 LYS A 1 -12.806 -8.194 16.201 1.00 3.53 H new ATOM 0 HE2 LYS A 1 -14.818 -8.498 14.055 1.00 43.02 H new ATOM 0 HE3 LYS A 1 -14.488 -9.989 14.914 1.00 43.02 H new ATOM 0 HZ1 LYS A 1 -16.265 -8.747 15.963 1.00 25.02 H new ATOM 0 HZ2 LYS A 1 -14.932 -8.847 17.010 1.00 25.02 H new ATOM 0 HZ3 LYS A 1 -15.251 -7.402 16.177 1.00 25.02 H new ATOM 23 N ARG A 2 -10.866 -3.256 14.624 1.00 53.44 N ATOM 24 CA ARG A 2 -11.169 -2.048 13.864 1.00 23.32 C ATOM 25 C ARG A 2 -10.040 -1.722 12.891 1.00 51.54 C ATOM 26 O ARG A 2 -10.263 -1.101 11.851 1.00 73.44 O ATOM 27 CB ARG A 2 -11.397 -0.869 14.811 1.00 54.41 C ATOM 28 CG ARG A 2 -12.255 0.235 14.213 1.00 30.30 C ATOM 29 CD ARG A 2 -13.735 -0.107 14.288 1.00 22.41 C ATOM 30 NE ARG A 2 -14.411 0.619 15.360 1.00 23.41 N ATOM 31 CZ ARG A 2 -15.677 0.411 15.703 1.00 11.33 C ATOM 32 NH1 ARG A 2 -16.401 -0.496 15.062 1.00 11.23 N ATOM 33 NH2 ARG A 2 -16.222 1.112 16.690 1.00 64.11 N ATOM 0 H ARG A 2 -10.276 -3.103 15.442 1.00 53.44 H new ATOM 0 HA ARG A 2 -12.079 -2.227 13.291 1.00 23.32 H new ATOM 0 HB2 ARG A 2 -11.871 -1.233 15.723 1.00 54.41 H new ATOM 0 HB3 ARG A 2 -10.432 -0.452 15.098 1.00 54.41 H new ATOM 0 HG2 ARG A 2 -12.069 1.169 14.743 1.00 30.30 H new ATOM 0 HG3 ARG A 2 -11.970 0.396 13.173 1.00 30.30 H new ATOM 0 HD2 ARG A 2 -14.210 0.128 13.336 1.00 22.41 H new ATOM 0 HD3 ARG A 2 -13.852 -1.179 14.447 1.00 22.41 H new ATOM 0 HE ARG A 2 -13.882 1.324 15.873 1.00 23.41 H new ATOM 0 HH11 ARG A 2 -15.986 -1.036 14.303 1.00 11.23 H new ATOM 0 HH12 ARG A 2 -17.373 -0.653 15.328 1.00 11.23 H new ATOM 0 HH21 ARG A 2 -15.668 1.811 17.185 1.00 64.11 H new ATOM 0 HH22 ARG A 2 -17.194 0.952 16.953 1.00 64.11 H new ATOM 47 N PHE A 3 -8.828 -2.143 13.235 1.00 3.54 N ATOM 48 CA PHE A 3 -7.664 -1.894 12.393 1.00 43.50 C ATOM 49 C PHE A 3 -7.745 -2.701 11.101 1.00 41.23 C ATOM 50 O PHE A 3 -7.157 -2.329 10.085 1.00 75.15 O ATOM 51 CB PHE A 3 -6.379 -2.243 13.146 1.00 25.11 C ATOM 52 CG PHE A 3 -6.157 -3.721 13.301 1.00 53.33 C ATOM 53 CD1 PHE A 3 -5.490 -4.441 12.323 1.00 10.30 C ATOM 54 CD2 PHE A 3 -6.617 -4.390 14.424 1.00 53.44 C ATOM 55 CE1 PHE A 3 -5.284 -5.800 12.462 1.00 34.53 C ATOM 56 CE2 PHE A 3 -6.414 -5.749 14.569 1.00 54.05 C ATOM 57 CZ PHE A 3 -5.748 -6.456 13.586 1.00 12.52 C ATOM 0 H PHE A 3 -8.626 -2.659 14.092 1.00 3.54 H new ATOM 0 HA PHE A 3 -7.651 -0.834 12.139 1.00 43.50 H new ATOM 0 HB2 PHE A 3 -5.529 -1.809 12.619 1.00 25.11 H new ATOM 0 HB3 PHE A 3 -6.410 -1.783 14.134 1.00 25.11 H new ATOM 0 HD1 PHE A 3 -5.127 -3.934 11.441 1.00 10.30 H new ATOM 0 HD2 PHE A 3 -7.140 -3.843 15.194 1.00 53.44 H new ATOM 0 HE1 PHE A 3 -4.761 -6.349 11.693 1.00 34.53 H new ATOM 0 HE2 PHE A 3 -6.776 -6.258 15.450 1.00 54.05 H new ATOM 0 HZ PHE A 3 -5.591 -7.519 13.696 1.00 12.52 H new ATOM 67 N LYS A 4 -8.477 -3.809 11.147 1.00 1.34 N ATOM 68 CA LYS A 4 -8.637 -4.670 9.982 1.00 71.11 C ATOM 69 C LYS A 4 -9.093 -3.865 8.769 1.00 63.21 C ATOM 70 O LYS A 4 -8.659 -4.117 7.645 1.00 64.33 O ATOM 71 CB LYS A 4 -9.647 -5.781 10.278 1.00 23.43 C ATOM 72 CG LYS A 4 -9.151 -7.168 9.908 1.00 61.35 C ATOM 73 CD LYS A 4 -10.092 -7.855 8.932 1.00 53.30 C ATOM 74 CE LYS A 4 -9.332 -8.723 7.942 1.00 71.54 C ATOM 75 NZ LYS A 4 -10.236 -9.660 7.218 1.00 42.25 N ATOM 0 H LYS A 4 -8.969 -4.132 11.980 1.00 1.34 H new ATOM 0 HA LYS A 4 -7.669 -5.117 9.757 1.00 71.11 H new ATOM 0 HB2 LYS A 4 -9.893 -5.763 11.340 1.00 23.43 H new ATOM 0 HB3 LYS A 4 -10.569 -5.577 9.734 1.00 23.43 H new ATOM 0 HG2 LYS A 4 -8.157 -7.094 9.466 1.00 61.35 H new ATOM 0 HG3 LYS A 4 -9.055 -7.773 10.809 1.00 61.35 H new ATOM 0 HD2 LYS A 4 -10.805 -8.469 9.483 1.00 53.30 H new ATOM 0 HD3 LYS A 4 -10.669 -7.104 8.391 1.00 53.30 H new ATOM 0 HE2 LYS A 4 -8.816 -8.087 7.222 1.00 71.54 H new ATOM 0 HE3 LYS A 4 -8.567 -9.292 8.470 1.00 71.54 H new ATOM 0 HZ1 LYS A 4 -9.680 -10.234 6.553 1.00 42.25 H new ATOM 0 HZ2 LYS A 4 -10.709 -10.284 7.902 1.00 42.25 H new ATOM 0 HZ3 LYS A 4 -10.951 -9.117 6.693 1.00 42.25 H new ATOM 89 N LYS A 5 -9.969 -2.895 9.004 1.00 51.41 N ATOM 90 CA LYS A 5 -10.482 -2.050 7.932 1.00 41.03 C ATOM 91 C LYS A 5 -9.385 -1.144 7.381 1.00 73.11 C ATOM 92 O LYS A 5 -9.379 -0.811 6.196 1.00 43.33 O ATOM 93 CB LYS A 5 -11.652 -1.203 8.437 1.00 1.11 C ATOM 94 CG LYS A 5 -12.969 -1.957 8.494 1.00 20.24 C ATOM 95 CD LYS A 5 -13.164 -2.638 9.839 1.00 41.40 C ATOM 96 CE LYS A 5 -14.633 -2.920 10.113 1.00 52.11 C ATOM 97 NZ LYS A 5 -14.856 -3.397 11.506 1.00 61.53 N ATOM 0 H LYS A 5 -10.339 -2.674 9.928 1.00 51.41 H new ATOM 0 HA LYS A 5 -10.831 -2.698 7.128 1.00 41.03 H new ATOM 0 HB2 LYS A 5 -11.415 -0.828 9.432 1.00 1.11 H new ATOM 0 HB3 LYS A 5 -11.768 -0.335 7.788 1.00 1.11 H new ATOM 0 HG2 LYS A 5 -13.793 -1.267 8.312 1.00 20.24 H new ATOM 0 HG3 LYS A 5 -12.997 -2.703 7.700 1.00 20.24 H new ATOM 0 HD2 LYS A 5 -12.603 -3.572 9.860 1.00 41.40 H new ATOM 0 HD3 LYS A 5 -12.760 -2.006 10.630 1.00 41.40 H new ATOM 0 HE2 LYS A 5 -15.215 -2.014 9.942 1.00 52.11 H new ATOM 0 HE3 LYS A 5 -14.996 -3.670 9.410 1.00 52.11 H new ATOM 0 HZ1 LYS A 5 -15.870 -3.578 11.653 1.00 61.53 H new ATOM 0 HZ2 LYS A 5 -14.321 -4.275 11.662 1.00 61.53 H new ATOM 0 HZ3 LYS A 5 -14.533 -2.671 12.177 1.00 61.53 H new ATOM 111 N PHE A 6 -8.458 -0.750 8.248 1.00 75.11 N ATOM 112 CA PHE A 6 -7.356 0.117 7.848 1.00 74.13 C ATOM 113 C PHE A 6 -6.392 -0.621 6.924 1.00 41.14 C ATOM 114 O PHE A 6 -5.878 -0.051 5.961 1.00 53.22 O ATOM 115 CB PHE A 6 -6.608 0.629 9.081 1.00 74.55 C ATOM 116 CG PHE A 6 -5.346 1.373 8.750 1.00 75.01 C ATOM 117 CD1 PHE A 6 -5.367 2.440 7.866 1.00 71.54 C ATOM 118 CD2 PHE A 6 -4.140 1.007 9.324 1.00 63.33 C ATOM 119 CE1 PHE A 6 -4.207 3.126 7.559 1.00 32.41 C ATOM 120 CE2 PHE A 6 -2.976 1.689 9.021 1.00 15.34 C ATOM 121 CZ PHE A 6 -3.011 2.751 8.139 1.00 63.14 C ATOM 0 H PHE A 6 -8.448 -1.017 9.232 1.00 75.11 H new ATOM 0 HA PHE A 6 -7.773 0.966 7.306 1.00 74.13 H new ATOM 0 HB2 PHE A 6 -7.268 1.284 9.650 1.00 74.55 H new ATOM 0 HB3 PHE A 6 -6.364 -0.216 9.725 1.00 74.55 H new ATOM 0 HD1 PHE A 6 -6.300 2.739 7.412 1.00 71.54 H new ATOM 0 HD2 PHE A 6 -4.108 0.179 10.017 1.00 63.33 H new ATOM 0 HE1 PHE A 6 -4.236 3.954 6.866 1.00 32.41 H new ATOM 0 HE2 PHE A 6 -2.041 1.392 9.473 1.00 15.34 H new ATOM 0 HZ PHE A 6 -2.104 3.288 7.903 1.00 63.14 H new ATOM 131 N PHE A 7 -6.150 -1.893 7.224 1.00 12.42 N ATOM 132 CA PHE A 7 -5.246 -2.709 6.422 1.00 34.24 C ATOM 133 C PHE A 7 -5.623 -2.646 4.945 1.00 62.40 C ATOM 134 O PHE A 7 -4.795 -2.317 4.095 1.00 55.32 O ATOM 135 CB PHE A 7 -5.272 -4.161 6.906 1.00 53.24 C ATOM 136 CG PHE A 7 -4.394 -5.076 6.102 1.00 44.14 C ATOM 137 CD1 PHE A 7 -3.091 -4.715 5.796 1.00 30.40 C ATOM 138 CD2 PHE A 7 -4.870 -6.297 5.652 1.00 42.21 C ATOM 139 CE1 PHE A 7 -2.281 -5.555 5.056 1.00 62.43 C ATOM 140 CE2 PHE A 7 -4.064 -7.141 4.912 1.00 60.25 C ATOM 141 CZ PHE A 7 -2.767 -6.770 4.614 1.00 74.30 C ATOM 0 H PHE A 7 -6.567 -2.381 8.017 1.00 12.42 H new ATOM 0 HA PHE A 7 -4.237 -2.312 6.538 1.00 34.24 H new ATOM 0 HB2 PHE A 7 -4.958 -4.194 7.949 1.00 53.24 H new ATOM 0 HB3 PHE A 7 -6.297 -4.529 6.870 1.00 53.24 H new ATOM 0 HD1 PHE A 7 -2.705 -3.767 6.140 1.00 30.40 H new ATOM 0 HD2 PHE A 7 -5.883 -6.593 5.882 1.00 42.21 H new ATOM 0 HE1 PHE A 7 -1.268 -5.262 4.823 1.00 62.43 H new ATOM 0 HE2 PHE A 7 -4.448 -8.090 4.567 1.00 60.25 H new ATOM 0 HZ PHE A 7 -2.135 -7.428 4.037 1.00 74.30 H new ATOM 151 N LYS A 8 -6.877 -2.966 4.646 1.00 15.43 N ATOM 152 CA LYS A 8 -7.366 -2.946 3.273 1.00 53.43 C ATOM 153 C LYS A 8 -7.155 -1.574 2.640 1.00 40.11 C ATOM 154 O LYS A 8 -7.024 -1.454 1.422 1.00 62.04 O ATOM 155 CB LYS A 8 -8.851 -3.314 3.233 1.00 70.34 C ATOM 156 CG LYS A 8 -9.105 -4.810 3.169 1.00 23.53 C ATOM 157 CD LYS A 8 -8.722 -5.496 4.470 1.00 62.50 C ATOM 158 CE LYS A 8 -9.433 -6.832 4.626 1.00 12.22 C ATOM 159 NZ LYS A 8 -8.649 -7.951 4.035 1.00 45.33 N ATOM 0 H LYS A 8 -7.574 -3.243 5.337 1.00 15.43 H new ATOM 0 HA LYS A 8 -6.800 -3.682 2.702 1.00 53.43 H new ATOM 0 HB2 LYS A 8 -9.341 -2.908 4.118 1.00 70.34 H new ATOM 0 HB3 LYS A 8 -9.311 -2.838 2.367 1.00 70.34 H new ATOM 0 HG2 LYS A 8 -10.158 -4.993 2.957 1.00 23.53 H new ATOM 0 HG3 LYS A 8 -8.535 -5.242 2.347 1.00 23.53 H new ATOM 0 HD2 LYS A 8 -7.643 -5.651 4.497 1.00 62.50 H new ATOM 0 HD3 LYS A 8 -8.972 -4.849 5.311 1.00 62.50 H new ATOM 0 HE2 LYS A 8 -9.606 -7.029 5.684 1.00 12.22 H new ATOM 0 HE3 LYS A 8 -10.411 -6.781 4.147 1.00 12.22 H new ATOM 0 HZ1 LYS A 8 -9.168 -8.843 4.162 1.00 45.33 H new ATOM 0 HZ2 LYS A 8 -8.505 -7.776 3.020 1.00 45.33 H new ATOM 0 HZ3 LYS A 8 -7.726 -8.017 4.509 1.00 45.33 H new ATOM 173 N LYS A 9 -7.122 -0.541 3.475 1.00 4.11 N ATOM 174 CA LYS A 9 -6.923 0.823 2.999 1.00 73.34 C ATOM 175 C LYS A 9 -5.451 1.087 2.702 1.00 64.44 C ATOM 176 O LYS A 9 -5.115 1.777 1.739 1.00 20.12 O ATOM 177 CB LYS A 9 -7.433 1.826 4.035 1.00 13.42 C ATOM 178 CG LYS A 9 -7.936 3.125 3.429 1.00 43.13 C ATOM 179 CD LYS A 9 -7.118 4.315 3.902 1.00 24.20 C ATOM 180 CE LYS A 9 -7.807 5.046 5.044 1.00 43.33 C ATOM 181 NZ LYS A 9 -8.039 6.482 4.722 1.00 33.35 N ATOM 0 H LYS A 9 -7.231 -0.623 4.486 1.00 4.11 H new ATOM 0 HA LYS A 9 -7.489 0.945 2.075 1.00 73.34 H new ATOM 0 HB2 LYS A 9 -8.239 1.366 4.607 1.00 13.42 H new ATOM 0 HB3 LYS A 9 -6.630 2.050 4.738 1.00 13.42 H new ATOM 0 HG2 LYS A 9 -7.892 3.061 2.342 1.00 43.13 H new ATOM 0 HG3 LYS A 9 -8.982 3.272 3.698 1.00 43.13 H new ATOM 0 HD2 LYS A 9 -6.134 3.976 4.227 1.00 24.20 H new ATOM 0 HD3 LYS A 9 -6.960 5.003 3.071 1.00 24.20 H new ATOM 0 HE2 LYS A 9 -8.760 4.564 5.262 1.00 43.33 H new ATOM 0 HE3 LYS A 9 -7.198 4.969 5.945 1.00 43.33 H new ATOM 0 HZ1 LYS A 9 -8.510 6.946 5.525 1.00 33.35 H new ATOM 0 HZ2 LYS A 9 -7.128 6.948 4.539 1.00 33.35 H new ATOM 0 HZ3 LYS A 9 -8.641 6.555 3.877 1.00 33.35 H new ATOM 195 N VAL A 10 -4.575 0.531 3.534 1.00 51.34 N ATOM 196 CA VAL A 10 -3.138 0.705 3.358 1.00 30.45 C ATOM 197 C VAL A 10 -2.663 0.072 2.055 1.00 20.34 C ATOM 198 O VAL A 10 -1.676 0.509 1.463 1.00 23.55 O ATOM 199 CB VAL A 10 -2.351 0.090 4.532 1.00 55.15 C ATOM 200 CG1 VAL A 10 -0.887 0.495 4.463 1.00 61.11 C ATOM 201 CG2 VAL A 10 -2.966 0.505 5.860 1.00 71.32 C ATOM 0 H VAL A 10 -4.835 -0.043 4.336 1.00 51.34 H new ATOM 0 HA VAL A 10 -2.950 1.778 3.326 1.00 30.45 H new ATOM 0 HB VAL A 10 -2.406 -0.996 4.456 1.00 55.15 H new ATOM 0 HG11 VAL A 10 -0.347 0.052 5.300 1.00 61.11 H new ATOM 0 HG12 VAL A 10 -0.456 0.143 3.526 1.00 61.11 H new ATOM 0 HG13 VAL A 10 -0.807 1.581 4.514 1.00 61.11 H new ATOM 0 HG21 VAL A 10 -2.398 0.062 6.678 1.00 71.32 H new ATOM 0 HG22 VAL A 10 -2.942 1.591 5.948 1.00 71.32 H new ATOM 0 HG23 VAL A 10 -3.999 0.160 5.906 1.00 71.32 H new ATOM 211 N LYS A 11 -3.373 -0.961 1.612 1.00 4.44 N ATOM 212 CA LYS A 11 -3.026 -1.654 0.378 1.00 70.43 C ATOM 213 C LYS A 11 -3.062 -0.700 -0.811 1.00 42.34 C ATOM 214 O LYS A 11 -2.309 -0.860 -1.772 1.00 43.52 O ATOM 215 CB LYS A 11 -3.986 -2.821 0.137 1.00 34.44 C ATOM 216 CG LYS A 11 -3.901 -3.907 1.196 1.00 60.42 C ATOM 217 CD LYS A 11 -5.060 -4.884 1.087 1.00 24.41 C ATOM 218 CE LYS A 11 -4.911 -5.793 -0.124 1.00 22.05 C ATOM 219 NZ LYS A 11 -6.160 -6.554 -0.403 1.00 51.41 N ATOM 0 H LYS A 11 -4.192 -1.336 2.090 1.00 4.44 H new ATOM 0 HA LYS A 11 -2.012 -2.040 0.481 1.00 70.43 H new ATOM 0 HB2 LYS A 11 -5.006 -2.440 0.101 1.00 34.44 H new ATOM 0 HB3 LYS A 11 -3.775 -3.259 -0.838 1.00 34.44 H new ATOM 0 HG2 LYS A 11 -2.959 -4.445 1.092 1.00 60.42 H new ATOM 0 HG3 LYS A 11 -3.900 -3.452 2.186 1.00 60.42 H new ATOM 0 HD2 LYS A 11 -5.114 -5.488 1.992 1.00 24.41 H new ATOM 0 HD3 LYS A 11 -5.997 -4.332 1.016 1.00 24.41 H new ATOM 0 HE2 LYS A 11 -4.647 -5.195 -0.997 1.00 22.05 H new ATOM 0 HE3 LYS A 11 -4.091 -6.491 0.044 1.00 22.05 H new ATOM 0 HZ1 LYS A 11 -6.018 -7.161 -1.235 1.00 51.41 H new ATOM 0 HZ2 LYS A 11 -6.398 -7.144 0.420 1.00 51.41 H new ATOM 0 HZ3 LYS A 11 -6.938 -5.889 -0.589 1.00 51.41 H new ATOM 233 N LYS A 12 -3.940 0.295 -0.740 1.00 34.52 N ATOM 234 CA LYS A 12 -4.073 1.278 -1.809 1.00 21.55 C ATOM 235 C LYS A 12 -2.952 2.309 -1.741 1.00 5.31 C ATOM 236 O LYS A 12 -2.299 2.598 -2.744 1.00 73.32 O ATOM 237 CB LYS A 12 -5.431 1.978 -1.720 1.00 23.23 C ATOM 238 CG LYS A 12 -6.608 1.059 -1.995 1.00 72.14 C ATOM 239 CD LYS A 12 -7.199 1.308 -3.373 1.00 70.41 C ATOM 240 CE LYS A 12 -6.587 0.386 -4.417 1.00 3.02 C ATOM 241 NZ LYS A 12 -5.727 1.131 -5.378 1.00 70.51 N ATOM 0 H LYS A 12 -4.571 0.442 0.048 1.00 34.52 H new ATOM 0 HA LYS A 12 -4.004 0.754 -2.762 1.00 21.55 H new ATOM 0 HB2 LYS A 12 -5.543 2.410 -0.726 1.00 23.23 H new ATOM 0 HB3 LYS A 12 -5.452 2.804 -2.431 1.00 23.23 H new ATOM 0 HG2 LYS A 12 -6.286 0.021 -1.918 1.00 72.14 H new ATOM 0 HG3 LYS A 12 -7.375 1.212 -1.236 1.00 72.14 H new ATOM 0 HD2 LYS A 12 -8.278 1.157 -3.340 1.00 70.41 H new ATOM 0 HD3 LYS A 12 -7.031 2.346 -3.660 1.00 70.41 H new ATOM 0 HE2 LYS A 12 -5.995 -0.383 -3.920 1.00 3.02 H new ATOM 0 HE3 LYS A 12 -7.381 -0.125 -4.961 1.00 3.02 H new ATOM 0 HZ1 LYS A 12 -5.329 0.468 -6.073 1.00 70.51 H new ATOM 0 HZ2 LYS A 12 -6.297 1.848 -5.870 1.00 70.51 H new ATOM 0 HZ3 LYS A 12 -4.954 1.598 -4.862 1.00 70.51 H new ATOM 255 N SER A 13 -2.732 2.861 -0.552 1.00 21.13 N ATOM 256 CA SER A 13 -1.691 3.862 -0.354 1.00 45.41 C ATOM 257 C SER A 13 -0.309 3.268 -0.613 1.00 14.21 C ATOM 258 O SER A 13 0.458 3.783 -1.426 1.00 61.34 O ATOM 259 CB SER A 13 -1.758 4.425 1.067 1.00 41.42 C ATOM 260 OG SER A 13 -2.570 5.586 1.118 1.00 62.34 O ATOM 0 H SER A 13 -3.261 2.631 0.289 1.00 21.13 H new ATOM 0 HA SER A 13 -1.859 4.670 -1.066 1.00 45.41 H new ATOM 0 HB2 SER A 13 -2.157 3.668 1.743 1.00 41.42 H new ATOM 0 HB3 SER A 13 -0.753 4.665 1.414 1.00 41.42 H new ATOM 0 HG SER A 13 -2.598 5.925 2.037 1.00 62.34 H new ATOM 266 N VAL A 14 0.000 2.181 0.086 1.00 64.53 N ATOM 267 CA VAL A 14 1.288 1.514 -0.068 1.00 1.21 C ATOM 268 C VAL A 14 1.512 1.077 -1.511 1.00 71.02 C ATOM 269 O VAL A 14 2.643 1.053 -1.996 1.00 42.14 O ATOM 270 CB VAL A 14 1.397 0.284 0.852 1.00 32.13 C ATOM 271 CG1 VAL A 14 2.610 -0.555 0.481 1.00 30.32 C ATOM 272 CG2 VAL A 14 1.461 0.714 2.310 1.00 23.42 C ATOM 0 H VAL A 14 -0.623 1.743 0.764 1.00 64.53 H new ATOM 0 HA VAL A 14 2.054 2.237 0.212 1.00 1.21 H new ATOM 0 HB VAL A 14 0.506 -0.330 0.717 1.00 32.13 H new ATOM 0 HG11 VAL A 14 2.670 -1.420 1.142 1.00 30.32 H new ATOM 0 HG12 VAL A 14 2.517 -0.893 -0.551 1.00 30.32 H new ATOM 0 HG13 VAL A 14 3.514 0.046 0.586 1.00 30.32 H new ATOM 0 HG21 VAL A 14 1.538 -0.168 2.946 1.00 23.42 H new ATOM 0 HG22 VAL A 14 2.333 1.350 2.464 1.00 23.42 H new ATOM 0 HG23 VAL A 14 0.558 1.269 2.566 1.00 23.42 H new ATOM 282 N LYS A 15 0.426 0.732 -2.194 1.00 74.31 N ATOM 283 CA LYS A 15 0.501 0.296 -3.584 1.00 1.54 C ATOM 284 C LYS A 15 1.287 1.297 -4.425 1.00 53.03 C ATOM 285 O LYS A 15 1.972 0.921 -5.377 1.00 11.13 O ATOM 286 CB LYS A 15 -0.905 0.121 -4.162 1.00 30.24 C ATOM 287 CG LYS A 15 -1.273 -1.327 -4.437 1.00 11.13 C ATOM 288 CD LYS A 15 -2.683 -1.448 -4.990 1.00 60.41 C ATOM 289 CE LYS A 15 -3.038 -2.895 -5.299 1.00 43.22 C ATOM 290 NZ LYS A 15 -2.907 -3.200 -6.751 1.00 13.21 N ATOM 0 H LYS A 15 -0.518 0.746 -1.807 1.00 74.31 H new ATOM 0 HA LYS A 15 1.020 -0.662 -3.611 1.00 1.54 H new ATOM 0 HB2 LYS A 15 -1.630 0.546 -3.468 1.00 30.24 H new ATOM 0 HB3 LYS A 15 -0.981 0.689 -5.089 1.00 30.24 H new ATOM 0 HG2 LYS A 15 -0.565 -1.755 -5.147 1.00 11.13 H new ATOM 0 HG3 LYS A 15 -1.191 -1.905 -3.517 1.00 11.13 H new ATOM 0 HD2 LYS A 15 -3.394 -1.044 -4.269 1.00 60.41 H new ATOM 0 HD3 LYS A 15 -2.772 -0.849 -5.896 1.00 60.41 H new ATOM 0 HE2 LYS A 15 -2.388 -3.558 -4.728 1.00 43.22 H new ATOM 0 HE3 LYS A 15 -4.060 -3.095 -4.977 1.00 43.22 H new ATOM 0 HZ1 LYS A 15 -3.157 -4.195 -6.921 1.00 13.21 H new ATOM 0 HZ2 LYS A 15 -3.546 -2.585 -7.294 1.00 13.21 H new ATOM 0 HZ3 LYS A 15 -1.926 -3.034 -7.054 1.00 13.21 H new ATOM 304 N LYS A 16 1.184 2.573 -4.068 1.00 63.23 N ATOM 305 CA LYS A 16 1.887 3.628 -4.788 1.00 41.03 C ATOM 306 C LYS A 16 3.361 3.666 -4.396 1.00 14.33 C ATOM 307 O LYS A 16 4.225 3.964 -5.220 1.00 53.44 O ATOM 308 CB LYS A 16 1.238 4.985 -4.507 1.00 40.13 C ATOM 309 CG LYS A 16 -0.076 5.194 -5.240 1.00 1.31 C ATOM 310 CD LYS A 16 -0.536 6.640 -5.157 1.00 54.04 C ATOM 311 CE LYS A 16 -2.044 6.755 -5.319 1.00 34.20 C ATOM 312 NZ LYS A 16 -2.418 7.332 -6.640 1.00 14.13 N ATOM 0 H LYS A 16 0.620 2.901 -3.284 1.00 63.23 H new ATOM 0 HA LYS A 16 1.819 3.413 -5.854 1.00 41.03 H new ATOM 0 HB2 LYS A 16 1.066 5.081 -3.435 1.00 40.13 H new ATOM 0 HB3 LYS A 16 1.932 5.776 -4.790 1.00 40.13 H new ATOM 0 HG2 LYS A 16 0.040 4.907 -6.285 1.00 1.31 H new ATOM 0 HG3 LYS A 16 -0.839 4.543 -4.814 1.00 1.31 H new ATOM 0 HD2 LYS A 16 -0.239 7.063 -4.197 1.00 54.04 H new ATOM 0 HD3 LYS A 16 -0.040 7.226 -5.931 1.00 54.04 H new ATOM 0 HE2 LYS A 16 -2.497 5.769 -5.212 1.00 34.20 H new ATOM 0 HE3 LYS A 16 -2.448 7.380 -4.522 1.00 34.20 H new ATOM 0 HZ1 LYS A 16 -3.454 7.394 -6.711 1.00 14.13 H new ATOM 0 HZ2 LYS A 16 -2.007 8.283 -6.732 1.00 14.13 H new ATOM 0 HZ3 LYS A 16 -2.055 6.723 -7.400 1.00 14.13 H new ATOM 326 N ARG A 17 3.640 3.362 -3.133 1.00 32.43 N ATOM 327 CA ARG A 17 5.009 3.361 -2.632 1.00 11.14 C ATOM 328 C ARG A 17 5.849 2.306 -3.346 1.00 50.41 C ATOM 329 O ARG A 17 7.012 2.542 -3.675 1.00 44.21 O ATOM 330 CB ARG A 17 5.023 3.104 -1.124 1.00 33.23 C ATOM 331 CG ARG A 17 5.254 4.356 -0.294 1.00 44.22 C ATOM 332 CD ARG A 17 3.983 5.180 -0.163 1.00 3.42 C ATOM 333 NE ARG A 17 3.533 5.274 1.223 1.00 13.52 N ATOM 334 CZ ARG A 17 2.379 5.824 1.585 1.00 0.42 C ATOM 335 NH1 ARG A 17 1.563 6.326 0.668 1.00 5.32 N ATOM 336 NH2 ARG A 17 2.039 5.873 2.867 1.00 72.51 N ATOM 0 H ARG A 17 2.936 3.113 -2.438 1.00 32.43 H new ATOM 0 HA ARG A 17 5.442 4.341 -2.831 1.00 11.14 H new ATOM 0 HB2 ARG A 17 4.074 2.655 -0.832 1.00 33.23 H new ATOM 0 HB3 ARG A 17 5.803 2.378 -0.895 1.00 33.23 H new ATOM 0 HG2 ARG A 17 5.611 4.076 0.697 1.00 44.22 H new ATOM 0 HG3 ARG A 17 6.035 4.961 -0.755 1.00 44.22 H new ATOM 0 HD2 ARG A 17 4.158 6.181 -0.556 1.00 3.42 H new ATOM 0 HD3 ARG A 17 3.196 4.732 -0.770 1.00 3.42 H new ATOM 0 HE ARG A 17 4.137 4.897 1.953 1.00 13.52 H new ATOM 0 HH11 ARG A 17 1.821 6.290 -0.318 1.00 5.32 H new ATOM 0 HH12 ARG A 17 0.678 6.748 0.949 1.00 5.32 H new ATOM 0 HH21 ARG A 17 2.664 5.488 3.575 1.00 72.51 H new ATOM 0 HH22 ARG A 17 1.153 6.295 3.144 1.00 72.51 H new ATOM 350 N LEU A 18 5.253 1.143 -3.583 1.00 15.34 N ATOM 351 CA LEU A 18 5.945 0.051 -4.258 1.00 5.43 C ATOM 352 C LEU A 18 6.432 0.485 -5.637 1.00 11.32 C ATOM 353 O LEU A 18 7.404 -0.057 -6.163 1.00 51.43 O ATOM 354 CB LEU A 18 5.022 -1.161 -4.388 1.00 64.42 C ATOM 355 CG LEU A 18 4.892 -2.043 -3.145 1.00 45.25 C ATOM 356 CD1 LEU A 18 3.454 -2.503 -2.965 1.00 41.33 C ATOM 357 CD2 LEU A 18 5.829 -3.239 -3.239 1.00 51.44 C ATOM 0 H LEU A 18 4.291 0.932 -3.317 1.00 15.34 H new ATOM 0 HA LEU A 18 6.812 -0.224 -3.657 1.00 5.43 H new ATOM 0 HB2 LEU A 18 4.028 -0.808 -4.664 1.00 64.42 H new ATOM 0 HB3 LEU A 18 5.381 -1.779 -5.211 1.00 64.42 H new ATOM 0 HG LEU A 18 5.175 -1.453 -2.273 1.00 45.25 H new ATOM 0 HD11 LEU A 18 3.381 -3.129 -2.076 1.00 41.33 H new ATOM 0 HD12 LEU A 18 2.806 -1.634 -2.851 1.00 41.33 H new ATOM 0 HD13 LEU A 18 3.143 -3.076 -3.839 1.00 41.33 H new ATOM 0 HD21 LEU A 18 5.723 -3.855 -2.346 1.00 51.44 H new ATOM 0 HD22 LEU A 18 5.578 -3.830 -4.120 1.00 51.44 H new ATOM 0 HD23 LEU A 18 6.858 -2.889 -3.318 1.00 51.44 H new ATOM 369 N LYS A 19 5.751 1.468 -6.217 1.00 33.25 N ATOM 370 CA LYS A 19 6.114 1.978 -7.533 1.00 42.40 C ATOM 371 C LYS A 19 7.591 2.357 -7.581 1.00 62.41 C ATOM 372 O LYS A 19 8.243 2.226 -8.618 1.00 12.54 O ATOM 373 CB LYS A 19 5.254 3.194 -7.887 1.00 31.51 C ATOM 374 CG LYS A 19 5.420 3.659 -9.323 1.00 43.11 C ATOM 375 CD LYS A 19 4.103 4.137 -9.910 1.00 50.34 C ATOM 376 CE LYS A 19 4.323 4.990 -11.151 1.00 34.22 C ATOM 377 NZ LYS A 19 4.055 6.431 -10.888 1.00 22.12 N ATOM 0 H LYS A 19 4.944 1.927 -5.795 1.00 33.25 H new ATOM 0 HA LYS A 19 5.935 1.188 -8.263 1.00 42.40 H new ATOM 0 HB2 LYS A 19 4.206 2.951 -7.712 1.00 31.51 H new ATOM 0 HB3 LYS A 19 5.507 4.015 -7.216 1.00 31.51 H new ATOM 0 HG2 LYS A 19 6.151 4.466 -9.363 1.00 43.11 H new ATOM 0 HG3 LYS A 19 5.814 2.842 -9.928 1.00 43.11 H new ATOM 0 HD2 LYS A 19 3.483 3.277 -10.163 1.00 50.34 H new ATOM 0 HD3 LYS A 19 3.558 4.714 -9.163 1.00 50.34 H new ATOM 0 HE2 LYS A 19 5.349 4.869 -11.498 1.00 34.22 H new ATOM 0 HE3 LYS A 19 3.672 4.640 -11.952 1.00 34.22 H new ATOM 0 HZ1 LYS A 19 4.216 6.978 -11.758 1.00 22.12 H new ATOM 0 HZ2 LYS A 19 3.068 6.550 -10.581 1.00 22.12 H new ATOM 0 HZ3 LYS A 19 4.693 6.772 -10.141 1.00 22.12 H new ATOM 391 N LYS A 20 8.114 2.824 -6.453 1.00 5.02 N ATOM 392 CA LYS A 20 9.515 3.219 -6.364 1.00 64.35 C ATOM 393 C LYS A 20 10.419 1.995 -6.244 1.00 53.44 C ATOM 394 O LYS A 20 11.556 2.004 -6.717 1.00 32.52 O ATOM 395 CB LYS A 20 9.731 4.145 -5.165 1.00 61.24 C ATOM 396 CG LYS A 20 9.191 5.549 -5.376 1.00 61.33 C ATOM 397 CD LYS A 20 7.843 5.735 -4.701 1.00 74.21 C ATOM 398 CE LYS A 20 7.598 7.191 -4.338 1.00 14.24 C ATOM 399 NZ LYS A 20 8.526 7.661 -3.272 1.00 34.43 N ATOM 0 H LYS A 20 7.588 2.938 -5.586 1.00 5.02 H new ATOM 0 HA LYS A 20 9.774 3.753 -7.278 1.00 64.35 H new ATOM 0 HB2 LYS A 20 9.252 3.708 -4.289 1.00 61.24 H new ATOM 0 HB3 LYS A 20 10.798 4.204 -4.949 1.00 61.24 H new ATOM 0 HG2 LYS A 20 9.900 6.276 -4.980 1.00 61.33 H new ATOM 0 HG3 LYS A 20 9.095 5.746 -6.444 1.00 61.33 H new ATOM 0 HD2 LYS A 20 7.052 5.386 -5.364 1.00 74.21 H new ATOM 0 HD3 LYS A 20 7.798 5.122 -3.801 1.00 74.21 H new ATOM 0 HE2 LYS A 20 7.720 7.812 -5.225 1.00 14.24 H new ATOM 0 HE3 LYS A 20 6.568 7.313 -4.003 1.00 14.24 H new ATOM 0 HZ1 LYS A 20 8.101 8.468 -2.772 1.00 34.43 H new ATOM 0 HZ2 LYS A 20 8.700 6.889 -2.598 1.00 34.43 H new ATOM 0 HZ3 LYS A 20 9.427 7.955 -3.701 1.00 34.43 H new ATOM 413 N ILE A 21 9.905 0.946 -5.611 1.00 41.24 N ATOM 414 CA ILE A 21 10.665 -0.285 -5.432 1.00 41.45 C ATOM 415 C ILE A 21 10.764 -1.065 -6.739 1.00 15.20 C ATOM 416 O ILE A 21 11.706 -1.829 -6.949 1.00 41.51 O ATOM 417 CB ILE A 21 10.032 -1.186 -4.356 1.00 10.21 C ATOM 418 CG1 ILE A 21 9.891 -0.421 -3.038 1.00 63.31 C ATOM 419 CG2 ILE A 21 10.867 -2.442 -4.159 1.00 72.41 C ATOM 420 CD1 ILE A 21 9.060 -1.148 -2.004 1.00 1.31 C ATOM 0 H ILE A 21 8.966 0.924 -5.214 1.00 41.24 H new ATOM 0 HA ILE A 21 11.665 0.005 -5.109 1.00 41.45 H new ATOM 0 HB ILE A 21 9.038 -1.483 -4.690 1.00 10.21 H new ATOM 0 HG12 ILE A 21 10.883 -0.233 -2.628 1.00 63.31 H new ATOM 0 HG13 ILE A 21 9.439 0.551 -3.238 1.00 63.31 H new ATOM 0 HG21 ILE A 21 10.407 -3.069 -3.395 1.00 72.41 H new ATOM 0 HG22 ILE A 21 10.921 -2.994 -5.097 1.00 72.41 H new ATOM 0 HG23 ILE A 21 11.873 -2.165 -3.843 1.00 72.41 H new ATOM 0 HD11 ILE A 21 9.003 -0.548 -1.096 1.00 1.31 H new ATOM 0 HD12 ILE A 21 8.056 -1.312 -2.394 1.00 1.31 H new ATOM 0 HD13 ILE A 21 9.522 -2.108 -1.776 1.00 1.31 H new ATOM 432 N PHE A 22 9.785 -0.866 -7.615 1.00 74.35 N ATOM 433 CA PHE A 22 9.761 -1.551 -8.903 1.00 52.50 C ATOM 434 C PHE A 22 10.285 -0.642 -10.011 1.00 64.33 C ATOM 435 O PHE A 22 9.766 -0.641 -11.127 1.00 73.35 O ATOM 436 CB PHE A 22 8.339 -2.010 -9.234 1.00 44.44 C ATOM 437 CG PHE A 22 7.874 -3.169 -8.401 1.00 64.50 C ATOM 438 CD1 PHE A 22 8.332 -4.452 -8.658 1.00 5.31 C ATOM 439 CD2 PHE A 22 6.980 -2.978 -7.361 1.00 11.45 C ATOM 440 CE1 PHE A 22 7.906 -5.521 -7.893 1.00 55.21 C ATOM 441 CE2 PHE A 22 6.550 -4.043 -6.592 1.00 12.21 C ATOM 442 CZ PHE A 22 7.014 -5.316 -6.858 1.00 41.01 C ATOM 0 H PHE A 22 8.998 -0.237 -7.457 1.00 74.35 H new ATOM 0 HA PHE A 22 10.410 -2.424 -8.835 1.00 52.50 H new ATOM 0 HB2 PHE A 22 7.654 -1.174 -9.093 1.00 44.44 H new ATOM 0 HB3 PHE A 22 8.291 -2.287 -10.287 1.00 44.44 H new ATOM 0 HD1 PHE A 22 9.030 -4.618 -9.465 1.00 5.31 H new ATOM 0 HD2 PHE A 22 6.614 -1.984 -7.148 1.00 11.45 H new ATOM 0 HE1 PHE A 22 8.270 -6.516 -8.104 1.00 55.21 H new ATOM 0 HE2 PHE A 22 5.852 -3.880 -5.784 1.00 12.21 H new ATOM 0 HZ PHE A 22 6.680 -6.150 -6.258 1.00 41.01 H new ATOM 452 N LYS A 23 11.319 0.131 -9.695 1.00 72.30 N ATOM 453 CA LYS A 23 11.916 1.044 -10.662 1.00 61.11 C ATOM 454 C LYS A 23 13.127 0.407 -11.336 1.00 72.34 C ATOM 455 O LYS A 23 13.990 1.102 -11.872 1.00 53.34 O ATOM 456 CB LYS A 23 12.329 2.348 -9.976 1.00 31.14 C ATOM 457 CG LYS A 23 11.835 3.594 -10.690 1.00 44.10 C ATOM 458 CD LYS A 23 11.421 4.674 -9.705 1.00 11.30 C ATOM 459 CE LYS A 23 12.624 5.446 -9.185 1.00 21.33 C ATOM 460 NZ LYS A 23 12.233 6.469 -8.176 1.00 40.11 N ATOM 0 H LYS A 23 11.761 0.143 -8.776 1.00 72.30 H new ATOM 0 HA LYS A 23 11.170 1.263 -11.426 1.00 61.11 H new ATOM 0 HB2 LYS A 23 11.947 2.349 -8.955 1.00 31.14 H new ATOM 0 HB3 LYS A 23 13.416 2.385 -9.909 1.00 31.14 H new ATOM 0 HG2 LYS A 23 12.621 3.976 -11.342 1.00 44.10 H new ATOM 0 HG3 LYS A 23 10.989 3.338 -11.327 1.00 44.10 H new ATOM 0 HD2 LYS A 23 10.727 5.362 -10.188 1.00 11.30 H new ATOM 0 HD3 LYS A 23 10.889 4.220 -8.869 1.00 11.30 H new ATOM 0 HE2 LYS A 23 13.337 4.751 -8.740 1.00 21.33 H new ATOM 0 HE3 LYS A 23 13.131 5.933 -10.018 1.00 21.33 H new ATOM 0 HZ1 LYS A 23 13.081 6.973 -7.846 1.00 40.11 H new ATOM 0 HZ2 LYS A 23 11.573 7.147 -8.607 1.00 40.11 H new ATOM 0 HZ3 LYS A 23 11.772 6.002 -7.369 1.00 40.11 H new ATOM 474 N LYS A 24 13.184 -0.920 -11.308 1.00 30.54 N ATOM 475 CA LYS A 24 14.287 -1.653 -11.918 1.00 41.32 C ATOM 476 C LYS A 24 14.087 -1.782 -13.425 1.00 13.42 C ATOM 477 O LYS A 24 12.979 -1.635 -13.943 1.00 23.43 O ATOM 478 CB LYS A 24 14.414 -3.042 -11.289 1.00 43.02 C ATOM 479 CG LYS A 24 15.538 -3.149 -10.273 1.00 13.25 C ATOM 480 CD LYS A 24 15.170 -4.082 -9.131 1.00 12.41 C ATOM 481 CE LYS A 24 15.002 -5.514 -9.614 1.00 33.13 C ATOM 482 NZ LYS A 24 16.306 -6.132 -9.983 1.00 14.42 N ATOM 0 H LYS A 24 12.478 -1.511 -10.869 1.00 30.54 H new ATOM 0 HA LYS A 24 15.205 -1.094 -11.737 1.00 41.32 H new ATOM 0 HB2 LYS A 24 13.472 -3.300 -10.805 1.00 43.02 H new ATOM 0 HB3 LYS A 24 14.578 -3.776 -12.078 1.00 43.02 H new ATOM 0 HG2 LYS A 24 16.441 -3.512 -10.764 1.00 13.25 H new ATOM 0 HG3 LYS A 24 15.767 -2.160 -9.877 1.00 13.25 H new ATOM 0 HD2 LYS A 24 15.944 -4.044 -8.365 1.00 12.41 H new ATOM 0 HD3 LYS A 24 14.244 -3.743 -8.666 1.00 12.41 H new ATOM 0 HE2 LYS A 24 14.527 -6.107 -8.833 1.00 33.13 H new ATOM 0 HE3 LYS A 24 14.335 -5.531 -10.476 1.00 33.13 H new ATOM 0 HZ1 LYS A 24 16.168 -7.144 -10.177 1.00 14.42 H new ATOM 0 HZ2 LYS A 24 16.683 -5.665 -10.832 1.00 14.42 H new ATOM 0 HZ3 LYS A 24 16.979 -6.018 -9.198 1.00 14.42 H new ATOM 496 N PRO A 25 15.182 -2.063 -14.146 1.00 73.44 N ATOM 497 CA PRO A 25 15.151 -2.220 -15.604 1.00 33.34 C ATOM 498 C PRO A 25 14.421 -3.488 -16.035 1.00 11.13 C ATOM 499 O PRO A 25 14.004 -3.614 -17.186 1.00 14.14 O ATOM 500 CB PRO A 25 16.631 -2.300 -15.983 1.00 64.52 C ATOM 501 CG PRO A 25 17.310 -2.807 -14.757 1.00 51.24 C ATOM 502 CD PRO A 25 16.534 -2.251 -13.595 1.00 62.03 C ATOM 0 HA PRO A 25 14.616 -1.405 -16.091 1.00 33.34 H new ATOM 0 HB2 PRO A 25 16.787 -2.971 -16.828 1.00 64.52 H new ATOM 0 HB3 PRO A 25 17.018 -1.324 -16.275 1.00 64.52 H new ATOM 0 HG2 PRO A 25 17.316 -3.897 -14.737 1.00 51.24 H new ATOM 0 HG3 PRO A 25 18.350 -2.482 -14.724 1.00 51.24 H new ATOM 0 HD2 PRO A 25 16.531 -2.938 -12.749 1.00 62.03 H new ATOM 0 HD3 PRO A 25 16.958 -1.311 -13.242 1.00 62.03 H new ATOM 510 N MET A 26 14.270 -4.424 -15.104 1.00 20.14 N ATOM 511 CA MET A 26 13.588 -5.682 -15.388 1.00 45.51 C ATOM 512 C MET A 26 12.089 -5.461 -15.557 1.00 53.24 C ATOM 513 O MET A 26 11.460 -6.047 -16.439 1.00 24.10 O ATOM 514 CB MET A 26 13.844 -6.690 -14.266 1.00 70.04 C ATOM 515 CG MET A 26 14.320 -8.045 -14.764 1.00 74.23 C ATOM 516 SD MET A 26 15.223 -8.969 -13.507 1.00 4.01 S ATOM 517 CE MET A 26 16.814 -9.164 -14.308 1.00 12.54 C ATOM 0 H MET A 26 14.610 -4.336 -14.147 1.00 20.14 H new ATOM 0 HA MET A 26 13.986 -6.080 -16.321 1.00 45.51 H new ATOM 0 HB2 MET A 26 14.589 -6.281 -13.584 1.00 70.04 H new ATOM 0 HB3 MET A 26 12.927 -6.824 -13.693 1.00 70.04 H new ATOM 0 HG2 MET A 26 13.460 -8.630 -15.092 1.00 74.23 H new ATOM 0 HG3 MET A 26 14.960 -7.903 -15.635 1.00 74.23 H new ATOM 0 HE1 MET A 26 17.486 -9.718 -13.653 1.00 12.54 H new ATOM 0 HE2 MET A 26 16.686 -9.710 -15.243 1.00 12.54 H new ATOM 0 HE3 MET A 26 17.239 -8.182 -14.517 1.00 12.54 H new ATOM 527 N VAL A 27 11.520 -4.612 -14.707 1.00 42.21 N ATOM 528 CA VAL A 27 10.094 -4.313 -14.763 1.00 62.34 C ATOM 529 C VAL A 27 9.729 -3.622 -16.072 1.00 12.40 C ATOM 530 O VAL A 27 10.539 -2.897 -16.650 1.00 65.43 O ATOM 531 CB VAL A 27 9.661 -3.421 -13.585 1.00 54.13 C ATOM 532 CG1 VAL A 27 8.146 -3.281 -13.550 1.00 23.41 C ATOM 533 CG2 VAL A 27 10.183 -3.982 -12.272 1.00 24.43 C ATOM 0 H VAL A 27 12.025 -4.119 -13.971 1.00 42.21 H new ATOM 0 HA VAL A 27 9.568 -5.265 -14.700 1.00 62.34 H new ATOM 0 HB VAL A 27 10.091 -2.429 -13.726 1.00 54.13 H new ATOM 0 HG11 VAL A 27 7.858 -2.647 -12.711 1.00 23.41 H new ATOM 0 HG12 VAL A 27 7.801 -2.830 -14.480 1.00 23.41 H new ATOM 0 HG13 VAL A 27 7.692 -4.265 -13.434 1.00 23.41 H new ATOM 0 HG21 VAL A 27 9.867 -3.339 -11.450 1.00 24.43 H new ATOM 0 HG22 VAL A 27 9.785 -4.985 -12.121 1.00 24.43 H new ATOM 0 HG23 VAL A 27 11.272 -4.025 -12.302 1.00 24.43 H new ATOM 543 N ILE A 28 8.504 -3.849 -16.533 1.00 74.40 N ATOM 544 CA ILE A 28 8.030 -3.247 -17.773 1.00 2.52 C ATOM 545 C ILE A 28 6.806 -2.371 -17.526 1.00 60.42 C ATOM 546 O ILE A 28 5.974 -2.676 -16.673 1.00 73.21 O ATOM 547 CB ILE A 28 7.678 -4.318 -18.821 1.00 64.34 C ATOM 548 CG1 ILE A 28 8.860 -5.269 -19.027 1.00 55.22 C ATOM 549 CG2 ILE A 28 7.283 -3.663 -20.136 1.00 64.05 C ATOM 550 CD1 ILE A 28 10.092 -4.590 -19.583 1.00 11.14 C ATOM 0 H ILE A 28 7.821 -4.446 -16.066 1.00 74.40 H new ATOM 0 HA ILE A 28 8.844 -2.631 -18.155 1.00 2.52 H new ATOM 0 HB ILE A 28 6.829 -4.897 -18.457 1.00 64.34 H new ATOM 0 HG12 ILE A 28 9.111 -5.735 -18.074 1.00 55.22 H new ATOM 0 HG13 ILE A 28 8.559 -6.069 -19.704 1.00 55.22 H new ATOM 0 HG21 ILE A 28 7.037 -4.433 -20.867 1.00 64.05 H new ATOM 0 HG22 ILE A 28 6.415 -3.023 -19.977 1.00 64.05 H new ATOM 0 HG23 ILE A 28 8.114 -3.063 -20.507 1.00 64.05 H new ATOM 0 HD11 ILE A 28 10.889 -5.324 -19.703 1.00 11.14 H new ATOM 0 HD12 ILE A 28 9.858 -4.147 -20.551 1.00 11.14 H new ATOM 0 HD13 ILE A 28 10.418 -3.809 -18.896 1.00 11.14 H new ATOM 562 N GLY A 29 6.702 -1.282 -18.281 1.00 41.14 N ATOM 563 CA GLY A 29 5.575 -0.380 -18.131 1.00 4.31 C ATOM 564 C GLY A 29 5.822 0.686 -17.081 1.00 61.15 C ATOM 565 O GLY A 29 4.944 0.985 -16.272 1.00 4.14 O ATOM 0 H GLY A 29 7.378 -1.008 -18.994 1.00 41.14 H new ATOM 0 HA2 GLY A 29 5.366 0.098 -19.088 1.00 4.31 H new ATOM 0 HA3 GLY A 29 4.688 -0.953 -17.861 1.00 4.31 H new ATOM 569 N VAL A 30 7.021 1.260 -17.094 1.00 30.05 N ATOM 570 CA VAL A 30 7.381 2.298 -16.135 1.00 42.12 C ATOM 571 C VAL A 30 8.282 3.348 -16.775 1.00 40.34 C ATOM 572 O VAL A 30 9.394 3.047 -17.212 1.00 13.15 O ATOM 573 CB VAL A 30 8.096 1.704 -14.907 1.00 11.42 C ATOM 574 CG1 VAL A 30 7.112 0.942 -14.033 1.00 32.20 C ATOM 575 CG2 VAL A 30 9.243 0.805 -15.342 1.00 3.14 C ATOM 0 H VAL A 30 7.759 1.024 -17.757 1.00 30.05 H new ATOM 0 HA VAL A 30 6.452 2.768 -15.813 1.00 42.12 H new ATOM 0 HB VAL A 30 8.510 2.522 -14.318 1.00 11.42 H new ATOM 0 HG11 VAL A 30 7.635 0.529 -13.170 1.00 32.20 H new ATOM 0 HG12 VAL A 30 6.328 1.619 -13.692 1.00 32.20 H new ATOM 0 HG13 VAL A 30 6.666 0.131 -14.609 1.00 32.20 H new ATOM 0 HG21 VAL A 30 9.737 0.394 -14.462 1.00 3.14 H new ATOM 0 HG22 VAL A 30 8.855 -0.009 -15.954 1.00 3.14 H new ATOM 0 HG23 VAL A 30 9.960 1.385 -15.923 1.00 3.14 H new ATOM 585 N THR A 31 7.796 4.584 -16.829 1.00 14.44 N ATOM 586 CA THR A 31 8.556 5.680 -17.416 1.00 11.41 C ATOM 587 C THR A 31 9.089 6.618 -16.339 1.00 44.42 C ATOM 588 O THR A 31 8.422 6.869 -15.335 1.00 41.22 O ATOM 589 CB THR A 31 7.699 6.490 -18.408 1.00 5.03 C ATOM 590 OG1 THR A 31 6.606 7.107 -17.720 1.00 55.21 O ATOM 591 CG2 THR A 31 7.168 5.597 -19.518 1.00 72.33 C ATOM 0 H THR A 31 6.878 4.851 -16.473 1.00 14.44 H new ATOM 0 HA THR A 31 9.393 5.233 -17.952 1.00 11.41 H new ATOM 0 HB THR A 31 8.328 7.261 -18.854 1.00 5.03 H new ATOM 0 HG1 THR A 31 6.067 7.621 -18.357 1.00 55.21 H new ATOM 0 HG21 THR A 31 6.566 6.191 -20.206 1.00 72.33 H new ATOM 0 HG22 THR A 31 8.004 5.152 -20.058 1.00 72.33 H new ATOM 0 HG23 THR A 31 6.553 4.807 -19.087 1.00 72.33 H new ATOM 599 N ILE A 32 10.295 7.134 -16.555 1.00 12.11 N ATOM 600 CA ILE A 32 10.916 8.046 -15.603 1.00 3.31 C ATOM 601 C ILE A 32 10.103 9.328 -15.458 1.00 41.14 C ATOM 602 O ILE A 32 9.704 9.953 -16.441 1.00 13.41 O ATOM 603 CB ILE A 32 12.353 8.408 -16.025 1.00 73.21 C ATOM 604 CG1 ILE A 32 13.029 9.251 -14.942 1.00 52.12 C ATOM 605 CG2 ILE A 32 12.343 9.150 -17.353 1.00 65.32 C ATOM 606 CD1 ILE A 32 14.439 9.669 -15.294 1.00 65.53 C ATOM 0 H ILE A 32 10.861 6.936 -17.380 1.00 12.11 H new ATOM 0 HA ILE A 32 10.947 7.528 -14.645 1.00 3.31 H new ATOM 0 HB ILE A 32 12.923 7.487 -16.150 1.00 73.21 H new ATOM 0 HG12 ILE A 32 12.429 10.143 -14.760 1.00 52.12 H new ATOM 0 HG13 ILE A 32 13.048 8.684 -14.011 1.00 52.12 H new ATOM 0 HG21 ILE A 32 13.365 9.399 -17.638 1.00 65.32 H new ATOM 0 HG22 ILE A 32 11.896 8.517 -18.120 1.00 65.32 H new ATOM 0 HG23 ILE A 32 11.761 10.066 -17.254 1.00 65.32 H new ATOM 0 HD11 ILE A 32 14.856 10.263 -14.481 1.00 65.53 H new ATOM 0 HD12 ILE A 32 15.054 8.782 -15.447 1.00 65.53 H new ATOM 0 HD13 ILE A 32 14.425 10.263 -16.208 1.00 65.53 H new ATOM 618 N PRO A 33 9.852 9.731 -14.204 1.00 43.50 N ATOM 619 CA PRO A 33 9.087 10.944 -13.901 1.00 14.14 C ATOM 620 C PRO A 33 9.847 12.215 -14.262 1.00 1.52 C ATOM 621 O PRO A 33 10.738 12.647 -13.530 1.00 11.13 O ATOM 622 CB PRO A 33 8.874 10.860 -12.387 1.00 70.11 C ATOM 623 CG PRO A 33 10.004 10.024 -11.892 1.00 14.53 C ATOM 624 CD PRO A 33 10.298 9.035 -12.985 1.00 55.13 C ATOM 0 HA PRO A 33 8.161 10.995 -14.474 1.00 14.14 H new ATOM 0 HB2 PRO A 33 8.884 11.850 -11.930 1.00 70.11 H new ATOM 0 HB3 PRO A 33 7.912 10.408 -12.147 1.00 70.11 H new ATOM 0 HG2 PRO A 33 10.878 10.638 -11.676 1.00 14.53 H new ATOM 0 HG3 PRO A 33 9.736 9.514 -10.966 1.00 14.53 H new ATOM 0 HD2 PRO A 33 11.359 8.788 -13.029 1.00 55.13 H new ATOM 0 HD3 PRO A 33 9.759 8.100 -12.836 1.00 55.13 H new ATOM 632 N PHE A 34 9.490 12.812 -15.395 1.00 32.55 N ATOM 633 CA PHE A 34 10.139 14.034 -15.853 1.00 24.00 C ATOM 634 C PHE A 34 9.144 15.189 -15.914 1.00 72.33 C ATOM 635 O PHE A 34 7.950 15.005 -15.678 1.00 64.01 O ATOM 636 CB PHE A 34 10.770 13.816 -17.230 1.00 22.02 C ATOM 637 CG PHE A 34 12.252 14.060 -17.256 1.00 11.42 C ATOM 638 CD1 PHE A 34 13.126 13.160 -16.668 1.00 43.33 C ATOM 639 CD2 PHE A 34 12.771 15.190 -17.868 1.00 75.12 C ATOM 640 CE1 PHE A 34 14.490 13.383 -16.690 1.00 40.41 C ATOM 641 CE2 PHE A 34 14.134 15.418 -17.894 1.00 15.14 C ATOM 642 CZ PHE A 34 14.994 14.513 -17.305 1.00 24.14 C ATOM 0 H PHE A 34 8.754 12.469 -16.013 1.00 32.55 H new ATOM 0 HA PHE A 34 10.921 14.290 -15.139 1.00 24.00 H new ATOM 0 HB2 PHE A 34 10.572 12.794 -17.554 1.00 22.02 H new ATOM 0 HB3 PHE A 34 10.288 14.477 -17.950 1.00 22.02 H new ATOM 0 HD1 PHE A 34 12.737 12.274 -16.187 1.00 43.33 H new ATOM 0 HD2 PHE A 34 12.102 15.901 -18.330 1.00 75.12 H new ATOM 0 HE1 PHE A 34 15.161 12.675 -16.227 1.00 40.41 H new ATOM 0 HE2 PHE A 34 14.525 16.303 -18.374 1.00 15.14 H new ATOM 0 HZ PHE A 34 16.060 14.688 -17.325 1.00 24.14 H new TER 652 PHE A 34