USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 163 hydrogens (2 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 GLY N :NH3+ 167:sc= -0.307 (180deg=-0.366) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0877) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= 0.933 (180deg=0.591) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.152 -0.330 -2.131 1.00 25.00 N ATOM 2 CA GLY A 1 1.413 0.480 -0.900 1.00 25.00 C ATOM 3 C GLY A 1 2.285 1.682 -1.156 1.00 25.00 C ATOM 4 O GLY A 1 2.701 2.429 -0.297 1.00 25.00 O ATOM 0 H1 GLY A 1 0.741 -1.247 -1.863 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.488 0.180 -2.748 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.046 -0.487 -2.639 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.462 0.811 -0.482 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.888 -0.153 -0.150 1.00 25.00 H new ATOM 10 N ILE A 2 2.510 1.890 -2.453 1.00 25.00 N ATOM 11 CA ILE A 2 3.344 2.982 -2.950 1.00 25.00 C ATOM 12 C ILE A 2 2.746 4.351 -2.592 1.00 25.00 C ATOM 13 O ILE A 2 3.477 5.308 -2.353 1.00 25.00 O ATOM 14 CB ILE A 2 3.587 2.842 -4.486 1.00 25.00 C ATOM 15 CG1 ILE A 2 2.263 2.962 -5.280 1.00 25.00 C ATOM 16 CG2 ILE A 2 4.282 1.483 -4.782 1.00 25.00 C ATOM 17 CD1 ILE A 2 2.437 2.956 -6.810 1.00 25.00 C ATOM 0 H ILE A 2 2.118 1.304 -3.190 1.00 25.00 H new ATOM 0 HA ILE A 2 4.313 2.917 -2.455 1.00 25.00 H new ATOM 0 HB ILE A 2 4.236 3.656 -4.809 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.608 2.138 -4.998 1.00 25.00 H new ATOM 0 HG13 ILE A 2 1.760 3.884 -4.987 1.00 25.00 H new ATOM 0 HG21 ILE A 2 4.451 1.387 -5.855 1.00 25.00 H new ATOM 0 HG22 ILE A 2 5.237 1.441 -4.259 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.646 0.667 -4.440 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.461 3.044 -7.288 1.00 25.00 H new ATOM 0 HD12 ILE A 2 3.064 3.796 -7.108 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.909 2.024 -7.119 1.00 25.00 H new ATOM 29 N LEU A 3 1.427 4.430 -2.486 1.00 25.00 N ATOM 30 CA LEU A 3 0.787 5.681 -2.098 1.00 25.00 C ATOM 31 C LEU A 3 1.076 5.969 -0.632 1.00 25.00 C ATOM 32 O LEU A 3 1.287 7.105 -0.259 1.00 25.00 O ATOM 33 CB LEU A 3 -0.733 5.622 -2.327 1.00 25.00 C ATOM 34 CG LEU A 3 -1.518 6.896 -1.932 1.00 25.00 C ATOM 35 CD1 LEU A 3 -1.036 8.154 -2.685 1.00 25.00 C ATOM 36 CD2 LEU A 3 -3.000 6.683 -2.192 1.00 25.00 C ATOM 0 H LEU A 3 0.786 3.656 -2.660 1.00 25.00 H new ATOM 0 HA LEU A 3 1.193 6.480 -2.718 1.00 25.00 H new ATOM 0 HB2 LEU A 3 -0.916 5.416 -3.382 1.00 25.00 H new ATOM 0 HB3 LEU A 3 -1.135 4.780 -1.764 1.00 25.00 H new ATOM 0 HG LEU A 3 -1.337 7.068 -0.871 1.00 25.00 H new ATOM 0 HD11 LEU A 3 -1.623 9.016 -2.367 1.00 25.00 H new ATOM 0 HD12 LEU A 3 0.017 8.330 -2.463 1.00 25.00 H new ATOM 0 HD13 LEU A 3 -1.161 8.006 -3.758 1.00 25.00 H new ATOM 0 HD21 LEU A 3 -3.551 7.581 -1.913 1.00 25.00 H new ATOM 0 HD22 LEU A 3 -3.157 6.474 -3.250 1.00 25.00 H new ATOM 0 HD23 LEU A 3 -3.356 5.840 -1.599 1.00 25.00 H new ATOM 48 N SER A 4 1.124 4.934 0.197 1.00 25.00 N ATOM 49 CA SER A 4 1.418 5.113 1.621 1.00 25.00 C ATOM 50 C SER A 4 2.844 5.618 1.790 1.00 25.00 C ATOM 51 O SER A 4 3.112 6.470 2.637 1.00 25.00 O ATOM 52 CB SER A 4 1.232 3.799 2.386 1.00 25.00 C ATOM 53 OG SER A 4 1.443 3.996 3.774 1.00 25.00 O ATOM 0 H SER A 4 0.965 3.967 -0.085 1.00 25.00 H new ATOM 0 HA SER A 4 0.723 5.846 2.030 1.00 25.00 H new ATOM 0 HB2 SER A 4 0.227 3.412 2.217 1.00 25.00 H new ATOM 0 HB3 SER A 4 1.929 3.051 2.009 1.00 25.00 H new ATOM 0 HG SER A 4 1.319 3.147 4.248 1.00 25.00 H new ATOM 59 N SER A 5 3.753 5.145 0.949 1.00 25.00 N ATOM 60 CA SER A 5 5.131 5.621 0.988 1.00 25.00 C ATOM 61 C SER A 5 5.206 7.092 0.594 1.00 25.00 C ATOM 62 O SER A 5 5.923 7.866 1.220 1.00 25.00 O ATOM 63 CB SER A 5 6.006 4.787 0.054 1.00 25.00 C ATOM 64 OG SER A 5 5.851 3.413 0.341 1.00 25.00 O ATOM 0 H SER A 5 3.565 4.439 0.237 1.00 25.00 H new ATOM 0 HA SER A 5 5.499 5.516 2.009 1.00 25.00 H new ATOM 0 HB2 SER A 5 5.734 4.983 -0.983 1.00 25.00 H new ATOM 0 HB3 SER A 5 7.051 5.075 0.169 1.00 25.00 H new ATOM 0 HG SER A 5 6.414 2.887 -0.264 1.00 25.00 H new ATOM 70 N LEU A 6 4.442 7.483 -0.416 1.00 25.00 N ATOM 71 CA LEU A 6 4.399 8.874 -0.858 1.00 25.00 C ATOM 72 C LEU A 6 3.797 9.733 0.249 1.00 25.00 C ATOM 73 O LEU A 6 4.277 10.816 0.565 1.00 25.00 O ATOM 74 CB LEU A 6 3.535 8.979 -2.131 1.00 25.00 C ATOM 75 CG LEU A 6 3.809 10.159 -3.078 1.00 25.00 C ATOM 76 CD1 LEU A 6 3.089 9.906 -4.398 1.00 25.00 C ATOM 77 CD2 LEU A 6 3.357 11.505 -2.512 1.00 25.00 C ATOM 0 H LEU A 6 3.840 6.855 -0.948 1.00 25.00 H new ATOM 0 HA LEU A 6 5.407 9.224 -1.079 1.00 25.00 H new ATOM 0 HB2 LEU A 6 3.658 8.056 -2.698 1.00 25.00 H new ATOM 0 HB3 LEU A 6 2.490 9.028 -1.825 1.00 25.00 H new ATOM 0 HG LEU A 6 4.889 10.219 -3.215 1.00 25.00 H new ATOM 0 HD11 LEU A 6 3.275 10.736 -5.079 1.00 25.00 H new ATOM 0 HD12 LEU A 6 3.458 8.982 -4.843 1.00 25.00 H new ATOM 0 HD13 LEU A 6 2.018 9.819 -4.217 1.00 25.00 H new ATOM 0 HD21 LEU A 6 3.579 12.295 -3.230 1.00 25.00 H new ATOM 0 HD22 LEU A 6 2.284 11.478 -2.323 1.00 25.00 H new ATOM 0 HD23 LEU A 6 3.885 11.703 -1.579 1.00 25.00 H new ATOM 89 N TRP A 7 2.738 9.228 0.848 1.00 25.00 N ATOM 90 CA TRP A 7 2.038 9.928 1.904 1.00 25.00 C ATOM 91 C TRP A 7 2.966 10.130 3.113 1.00 25.00 C ATOM 92 O TRP A 7 3.032 11.212 3.689 1.00 25.00 O ATOM 93 CB TRP A 7 0.801 9.121 2.279 1.00 25.00 C ATOM 94 CG TRP A 7 -0.069 9.838 3.204 1.00 25.00 C ATOM 95 CD1 TRP A 7 -1.175 10.548 2.901 1.00 25.00 C ATOM 96 CD2 TRP A 7 0.077 9.925 4.625 1.00 25.00 C ATOM 97 NE1 TRP A 7 -1.749 11.076 4.019 1.00 25.00 N ATOM 98 CE2 TRP A 7 -0.999 10.717 5.109 1.00 25.00 C ATOM 99 CE3 TRP A 7 1.019 9.421 5.539 1.00 25.00 C ATOM 100 CZ2 TRP A 7 -1.158 11.005 6.483 1.00 25.00 C ATOM 101 CZ3 TRP A 7 0.874 9.703 6.898 1.00 25.00 C ATOM 102 CH2 TRP A 7 -0.217 10.489 7.364 1.00 25.00 C ATOM 0 H TRP A 7 2.338 8.319 0.615 1.00 25.00 H new ATOM 0 HA TRP A 7 1.729 10.917 1.564 1.00 25.00 H new ATOM 0 HB2 TRP A 7 0.243 8.875 1.376 1.00 25.00 H new ATOM 0 HB3 TRP A 7 1.109 8.178 2.730 1.00 25.00 H new ATOM 0 HD1 TRP A 7 -1.557 10.681 1.900 1.00 25.00 H new ATOM 0 HE1 TRP A 7 -2.596 11.644 4.041 1.00 25.00 H new ATOM 0 HE3 TRP A 7 1.847 8.821 5.192 1.00 25.00 H new ATOM 0 HZ2 TRP A 7 -1.983 11.606 6.836 1.00 25.00 H new ATOM 0 HZ3 TRP A 7 1.597 9.321 7.603 1.00 25.00 H new ATOM 0 HH2 TRP A 7 -0.315 10.688 8.421 1.00 25.00 H new ATOM 113 N LYS A 8 3.739 9.116 3.464 1.00 25.00 N ATOM 114 CA LYS A 8 4.690 9.245 4.576 1.00 25.00 C ATOM 115 C LYS A 8 5.786 10.228 4.212 1.00 25.00 C ATOM 116 O LYS A 8 6.234 10.993 5.057 1.00 25.00 O ATOM 117 CB LYS A 8 5.277 7.880 4.946 1.00 25.00 C ATOM 118 CG LYS A 8 4.324 7.054 5.839 1.00 25.00 C ATOM 119 CD LYS A 8 4.659 7.176 7.324 1.00 25.00 C ATOM 120 CE LYS A 8 5.969 6.489 7.719 1.00 25.00 C ATOM 121 NZ LYS A 8 6.150 6.592 9.206 1.00 25.00 N ATOM 0 H LYS A 8 3.735 8.204 3.008 1.00 25.00 H new ATOM 0 HA LYS A 8 4.160 9.627 5.449 1.00 25.00 H new ATOM 0 HB2 LYS A 8 5.493 7.321 4.035 1.00 25.00 H new ATOM 0 HB3 LYS A 8 6.225 8.023 5.465 1.00 25.00 H new ATOM 0 HG2 LYS A 8 3.299 7.385 5.673 1.00 25.00 H new ATOM 0 HG3 LYS A 8 4.373 6.006 5.544 1.00 25.00 H new ATOM 0 HD2 LYS A 8 4.719 8.232 7.588 1.00 25.00 H new ATOM 0 HD3 LYS A 8 3.844 6.747 7.907 1.00 25.00 H new ATOM 0 HE2 LYS A 8 5.951 5.443 7.414 1.00 25.00 H new ATOM 0 HE3 LYS A 8 6.809 6.957 7.205 1.00 25.00 H new ATOM 0 HZ1 LYS A 8 7.039 6.127 9.481 1.00 25.00 H new ATOM 0 HZ2 LYS A 8 6.184 7.594 9.483 1.00 25.00 H new ATOM 0 HZ3 LYS A 8 5.353 6.127 9.686 1.00 25.00 H new ATOM 135 N LYS A 9 6.185 10.249 2.949 1.00 25.00 N ATOM 136 CA LYS A 9 7.196 11.196 2.472 1.00 25.00 C ATOM 137 C LYS A 9 6.736 12.645 2.649 1.00 25.00 C ATOM 138 O LYS A 9 7.533 13.491 3.017 1.00 25.00 O ATOM 139 CB LYS A 9 7.531 10.910 1.003 1.00 25.00 C ATOM 140 CG LYS A 9 8.697 11.694 0.455 1.00 25.00 C ATOM 141 CD LYS A 9 8.910 11.361 -1.033 1.00 25.00 C ATOM 142 CE LYS A 9 10.072 12.156 -1.621 1.00 25.00 C ATOM 143 NZ LYS A 9 9.780 13.631 -1.656 1.00 25.00 N ATOM 0 H LYS A 9 5.826 9.621 2.230 1.00 25.00 H new ATOM 0 HA LYS A 9 8.095 11.063 3.074 1.00 25.00 H new ATOM 0 HB2 LYS A 9 7.743 9.846 0.894 1.00 25.00 H new ATOM 0 HB3 LYS A 9 6.651 11.123 0.396 1.00 25.00 H new ATOM 0 HG2 LYS A 9 8.514 12.762 0.573 1.00 25.00 H new ATOM 0 HG3 LYS A 9 9.599 11.460 1.020 1.00 25.00 H new ATOM 0 HD2 LYS A 9 9.104 10.294 -1.144 1.00 25.00 H new ATOM 0 HD3 LYS A 9 7.999 11.579 -1.590 1.00 25.00 H new ATOM 0 HE2 LYS A 9 10.970 11.977 -1.030 1.00 25.00 H new ATOM 0 HE3 LYS A 9 10.280 11.803 -2.631 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 10.522 14.119 -2.197 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 8.858 13.792 -2.110 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 9.758 14.004 -0.685 1.00 25.00 H new ATOM 157 N LEU A 10 5.457 12.936 2.426 1.00 25.00 N ATOM 158 CA LEU A 10 4.956 14.301 2.656 1.00 25.00 C ATOM 159 C LEU A 10 4.700 14.573 4.151 1.00 25.00 C ATOM 160 O LEU A 10 4.953 15.667 4.631 1.00 25.00 O ATOM 161 CB LEU A 10 3.712 14.622 1.796 1.00 25.00 C ATOM 162 CG LEU A 10 2.424 13.773 1.860 1.00 25.00 C ATOM 163 CD1 LEU A 10 1.493 14.111 3.036 1.00 25.00 C ATOM 164 CD2 LEU A 10 1.654 13.972 0.560 1.00 25.00 C ATOM 0 H LEU A 10 4.759 12.269 2.095 1.00 25.00 H new ATOM 0 HA LEU A 10 5.745 14.981 2.334 1.00 25.00 H new ATOM 0 HB2 LEU A 10 3.424 15.646 2.033 1.00 25.00 H new ATOM 0 HB3 LEU A 10 4.040 14.615 0.757 1.00 25.00 H new ATOM 0 HG LEU A 10 2.741 12.741 2.009 1.00 25.00 H new ATOM 0 HD11 LEU A 10 0.615 13.466 3.002 1.00 25.00 H new ATOM 0 HD12 LEU A 10 2.022 13.954 3.976 1.00 25.00 H new ATOM 0 HD13 LEU A 10 1.181 15.153 2.965 1.00 25.00 H new ATOM 0 HD21 LEU A 10 0.739 13.380 0.585 1.00 25.00 H new ATOM 0 HD22 LEU A 10 1.401 15.026 0.445 1.00 25.00 H new ATOM 0 HD23 LEU A 10 2.270 13.653 -0.280 1.00 25.00 H new ATOM 176 N LYS A 11 4.286 13.553 4.891 1.00 25.00 N ATOM 177 CA LYS A 11 4.037 13.697 6.327 1.00 25.00 C ATOM 178 C LYS A 11 5.336 13.968 7.079 1.00 25.00 C ATOM 179 O LYS A 11 5.343 14.668 8.088 1.00 25.00 O ATOM 180 CB LYS A 11 3.355 12.428 6.865 1.00 25.00 C ATOM 181 CG LYS A 11 2.852 12.536 8.301 1.00 25.00 C ATOM 182 CD LYS A 11 3.752 11.741 9.249 1.00 25.00 C ATOM 183 CE LYS A 11 3.227 11.765 10.676 1.00 25.00 C ATOM 184 NZ LYS A 11 4.120 10.924 11.562 1.00 25.00 N ATOM 0 H LYS A 11 4.114 12.616 4.525 1.00 25.00 H new ATOM 0 HA LYS A 11 3.376 14.549 6.484 1.00 25.00 H new ATOM 0 HB2 LYS A 11 2.514 12.181 6.217 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.060 11.599 6.802 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.828 13.582 8.606 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.830 12.163 8.363 1.00 25.00 H new ATOM 0 HD2 LYS A 11 3.822 10.709 8.904 1.00 25.00 H new ATOM 0 HD3 LYS A 11 4.760 12.154 9.225 1.00 25.00 H new ATOM 0 HE2 LYS A 11 3.194 12.790 11.045 1.00 25.00 H new ATOM 0 HE3 LYS A 11 2.206 11.383 10.705 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.758 10.942 12.537 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 4.130 9.944 11.215 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 5.087 11.307 11.544 1.00 25.00 H new ATOM 198 N LYS A 12 6.440 13.442 6.565 1.00 25.00 N ATOM 199 CA LYS A 12 7.773 13.678 7.145 1.00 25.00 C ATOM 200 C LYS A 12 8.096 15.165 7.254 1.00 25.00 C ATOM 201 O LYS A 12 8.727 15.582 8.208 1.00 25.00 O ATOM 202 CB LYS A 12 8.825 12.978 6.262 1.00 25.00 C ATOM 203 CG LYS A 12 10.304 13.314 6.548 1.00 25.00 C ATOM 204 CD LYS A 12 10.754 12.913 7.948 1.00 25.00 C ATOM 205 CE LYS A 12 12.237 13.199 8.137 1.00 25.00 C ATOM 206 NZ LYS A 12 12.537 13.570 9.563 1.00 25.00 N ATOM 0 H LYS A 12 6.447 12.842 5.740 1.00 25.00 H new ATOM 0 HA LYS A 12 7.785 13.271 8.156 1.00 25.00 H new ATOM 0 HB2 LYS A 12 8.694 11.901 6.366 1.00 25.00 H new ATOM 0 HB3 LYS A 12 8.615 13.225 5.221 1.00 25.00 H new ATOM 0 HG2 LYS A 12 10.932 12.810 5.814 1.00 25.00 H new ATOM 0 HG3 LYS A 12 10.458 14.385 6.417 1.00 25.00 H new ATOM 0 HD2 LYS A 12 10.175 13.460 8.692 1.00 25.00 H new ATOM 0 HD3 LYS A 12 10.559 11.853 8.109 1.00 25.00 H new ATOM 0 HE2 LYS A 12 12.819 12.321 7.856 1.00 25.00 H new ATOM 0 HE3 LYS A 12 12.542 14.009 7.475 1.00 25.00 H new ATOM 0 HZ1 LYS A 12 13.543 13.399 9.762 1.00 25.00 H new ATOM 0 HZ2 LYS A 12 12.321 14.576 9.713 1.00 25.00 H new ATOM 0 HZ3 LYS A 12 11.955 12.992 10.202 1.00 25.00 H new ATOM 220 N ILE A 13 7.641 15.954 6.291 1.00 25.00 N ATOM 221 CA ILE A 13 7.928 17.389 6.275 1.00 25.00 C ATOM 222 C ILE A 13 7.326 18.061 7.509 1.00 25.00 C ATOM 223 O ILE A 13 7.938 18.929 8.120 1.00 25.00 O ATOM 224 CB ILE A 13 7.343 18.057 4.987 1.00 25.00 C ATOM 225 CG1 ILE A 13 7.917 17.371 3.722 1.00 25.00 C ATOM 226 CG2 ILE A 13 7.666 19.577 4.959 1.00 25.00 C ATOM 227 CD1 ILE A 13 7.180 17.723 2.429 1.00 25.00 C ATOM 0 H ILE A 13 7.072 15.629 5.509 1.00 25.00 H new ATOM 0 HA ILE A 13 9.010 17.517 6.281 1.00 25.00 H new ATOM 0 HB ILE A 13 6.260 17.934 5.000 1.00 25.00 H new ATOM 0 HG12 ILE A 13 8.966 17.648 3.616 1.00 25.00 H new ATOM 0 HG13 ILE A 13 7.886 16.291 3.862 1.00 25.00 H new ATOM 0 HG21 ILE A 13 7.250 20.021 4.055 1.00 25.00 H new ATOM 0 HG22 ILE A 13 7.229 20.058 5.834 1.00 25.00 H new ATOM 0 HG23 ILE A 13 8.747 19.720 4.969 1.00 25.00 H new ATOM 0 HD11 ILE A 13 7.645 17.202 1.592 1.00 25.00 H new ATOM 0 HD12 ILE A 13 6.136 17.420 2.511 1.00 25.00 H new ATOM 0 HD13 ILE A 13 7.233 18.799 2.261 1.00 25.00 H new ATOM 239 N ILE A 14 6.126 17.642 7.877 1.00 25.00 N ATOM 240 CA ILE A 14 5.438 18.200 9.044 1.00 25.00 C ATOM 241 C ILE A 14 6.038 17.629 10.328 1.00 25.00 C ATOM 242 O ILE A 14 6.082 18.288 11.360 1.00 25.00 O ATOM 243 CB ILE A 14 3.910 17.871 8.984 1.00 25.00 C ATOM 244 CG1 ILE A 14 3.310 18.284 7.621 1.00 25.00 C ATOM 245 CG2 ILE A 14 3.149 18.556 10.147 1.00 25.00 C ATOM 246 CD1 ILE A 14 3.428 19.797 7.248 1.00 25.00 C ATOM 0 H ILE A 14 5.602 16.916 7.387 1.00 25.00 H new ATOM 0 HA ILE A 14 5.567 19.282 9.038 1.00 25.00 H new ATOM 0 HB ILE A 14 3.796 16.793 9.093 1.00 25.00 H new ATOM 0 HG12 ILE A 14 3.797 17.699 6.841 1.00 25.00 H new ATOM 0 HG13 ILE A 14 2.255 18.010 7.613 1.00 25.00 H new ATOM 0 HG21 ILE A 14 2.089 18.311 10.082 1.00 25.00 H new ATOM 0 HG22 ILE A 14 3.545 18.203 11.099 1.00 25.00 H new ATOM 0 HG23 ILE A 14 3.277 19.636 10.079 1.00 25.00 H new ATOM 0 HD11 ILE A 14 2.973 19.968 6.272 1.00 25.00 H new ATOM 0 HD12 ILE A 14 2.914 20.398 7.998 1.00 25.00 H new ATOM 0 HD13 ILE A 14 4.479 20.082 7.213 1.00 25.00 H new ATOM 258 N ALA A 15 6.485 16.384 10.261 1.00 25.00 N ATOM 259 CA ALA A 15 7.033 15.692 11.419 1.00 25.00 C ATOM 260 C ALA A 15 8.355 16.295 11.921 1.00 25.00 C ATOM 261 O ALA A 15 8.527 16.496 13.123 1.00 25.00 O ATOM 262 CB ALA A 15 7.211 14.207 11.093 1.00 25.00 C ATOM 0 H ALA A 15 6.479 15.827 9.407 1.00 25.00 H new ATOM 0 HA ALA A 15 6.317 15.814 12.232 1.00 25.00 H new ATOM 0 HB1 ALA A 15 7.621 13.691 11.961 1.00 25.00 H new ATOM 0 HB2 ALA A 15 6.245 13.773 10.835 1.00 25.00 H new ATOM 0 HB3 ALA A 15 7.894 14.099 10.250 1.00 25.00 H new ATOM 268 N LYS A 16 9.314 16.502 10.987 1.00 25.00 N ATOM 269 CA LYS A 16 10.698 17.032 11.233 1.00 25.00 C ATOM 270 C LYS A 16 11.469 17.182 9.919 1.00 25.00 C ATOM 271 O LYS A 16 11.692 16.248 9.167 1.00 25.00 O ATOM 272 CB LYS A 16 11.534 16.150 12.240 1.00 25.00 C ATOM 273 CG LYS A 16 12.599 16.976 13.023 1.00 25.00 C ATOM 274 CD LYS A 16 11.971 17.813 14.186 1.00 25.00 C ATOM 275 CE LYS A 16 12.958 18.859 14.755 1.00 25.00 C ATOM 276 NZ LYS A 16 14.082 18.169 15.508 1.00 25.00 N ATOM 0 H LYS A 16 9.149 16.300 10.001 1.00 25.00 H new ATOM 0 HA LYS A 16 10.563 18.010 11.695 1.00 25.00 H new ATOM 0 HB2 LYS A 16 10.856 15.674 12.949 1.00 25.00 H new ATOM 0 HB3 LYS A 16 12.032 15.351 11.690 1.00 25.00 H new ATOM 0 HG2 LYS A 16 13.351 16.300 13.431 1.00 25.00 H new ATOM 0 HG3 LYS A 16 13.113 17.646 12.334 1.00 25.00 H new ATOM 0 HD2 LYS A 16 11.076 18.320 13.824 1.00 25.00 H new ATOM 0 HD3 LYS A 16 11.656 17.142 14.985 1.00 25.00 H new ATOM 0 HE2 LYS A 16 13.370 19.459 13.944 1.00 25.00 H new ATOM 0 HE3 LYS A 16 12.431 19.542 15.421 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 14.737 18.883 15.885 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 13.685 17.615 16.294 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 14.595 17.535 14.862 1.00 25.00 H new TER 290 LYS A 16 HETATM 291 N NH2 A 101 11.978 18.464 9.665 1.00 25.00 N