USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 308 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.0252 (180deg=-0.176) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 4.036 0.807 -1.513 1.00 13.00 N ATOM 2 CA GLY A 26 3.177 0.280 -2.610 1.00 45.03 C ATOM 3 C GLY A 26 3.515 -1.152 -2.976 1.00 32.22 C ATOM 4 O GLY A 26 4.472 -1.724 -2.452 1.00 50.21 O ATOM 0 HA2 GLY A 26 2.131 0.337 -2.307 1.00 45.03 H new ATOM 0 HA3 GLY A 26 3.289 0.913 -3.491 1.00 45.03 H new ATOM 10 N GLY A 27 2.730 -1.732 -3.878 1.00 31.20 N ATOM 11 CA GLY A 27 2.968 -3.100 -4.298 1.00 23.54 C ATOM 12 C GLY A 27 4.173 -3.230 -5.211 1.00 54.31 C ATOM 13 O GLY A 27 4.749 -4.310 -5.333 1.00 31.21 O ATOM 0 H GLY A 27 1.933 -1.279 -4.325 1.00 31.20 H new ATOM 0 HA2 GLY A 27 3.115 -3.726 -3.418 1.00 23.54 H new ATOM 0 HA3 GLY A 27 2.084 -3.477 -4.813 1.00 23.54 H new ATOM 17 N LEU A 28 4.555 -2.128 -5.854 1.00 13.31 N ATOM 18 CA LEU A 28 5.702 -2.126 -6.760 1.00 52.45 C ATOM 19 C LEU A 28 6.895 -2.832 -6.129 1.00 55.32 C ATOM 20 O LEU A 28 7.372 -3.847 -6.636 1.00 72.34 O ATOM 21 CB LEU A 28 6.089 -0.689 -7.121 1.00 35.24 C ATOM 22 CG LEU A 28 7.341 -0.544 -7.993 1.00 24.45 C ATOM 23 CD1 LEU A 28 8.590 -0.504 -7.126 1.00 21.34 C ATOM 24 CD2 LEU A 28 7.430 -1.678 -9.005 1.00 2.32 C ATOM 0 H LEU A 28 4.088 -1.226 -5.765 1.00 13.31 H new ATOM 0 HA LEU A 28 5.417 -2.663 -7.665 1.00 52.45 H new ATOM 0 HB2 LEU A 28 5.250 -0.224 -7.639 1.00 35.24 H new ATOM 0 HB3 LEU A 28 6.243 -0.130 -6.198 1.00 35.24 H new ATOM 0 HG LEU A 28 7.269 0.395 -8.541 1.00 24.45 H new ATOM 0 HD11 LEU A 28 9.470 -0.401 -7.761 1.00 21.34 H new ATOM 0 HD12 LEU A 28 8.533 0.345 -6.444 1.00 21.34 H new ATOM 0 HD13 LEU A 28 8.663 -1.427 -6.551 1.00 21.34 H new ATOM 0 HD21 LEU A 28 8.326 -1.554 -9.613 1.00 2.32 H new ATOM 0 HD22 LEU A 28 7.477 -2.632 -8.479 1.00 2.32 H new ATOM 0 HD23 LEU A 28 6.550 -1.661 -9.649 1.00 2.32 H new ATOM 36 N LYS A 29 7.360 -2.292 -5.011 1.00 11.35 N ATOM 37 CA LYS A 29 8.487 -2.873 -4.293 1.00 71.41 C ATOM 38 C LYS A 29 8.153 -4.291 -3.839 1.00 22.23 C ATOM 39 O LYS A 29 9.044 -5.110 -3.615 1.00 65.35 O ATOM 40 CB LYS A 29 8.854 -2.008 -3.086 1.00 45.31 C ATOM 41 CG LYS A 29 9.943 -0.989 -3.378 1.00 74.32 C ATOM 42 CD LYS A 29 11.313 -1.641 -3.445 1.00 44.00 C ATOM 43 CE LYS A 29 12.336 -0.724 -4.096 1.00 55.44 C ATOM 44 NZ LYS A 29 13.724 -1.242 -3.947 1.00 3.11 N ATOM 0 H LYS A 29 6.974 -1.452 -4.581 1.00 11.35 H new ATOM 0 HA LYS A 29 9.342 -2.913 -4.968 1.00 71.41 H new ATOM 0 HB2 LYS A 29 7.962 -1.486 -2.739 1.00 45.31 H new ATOM 0 HB3 LYS A 29 9.182 -2.655 -2.272 1.00 45.31 H new ATOM 0 HG2 LYS A 29 9.731 -0.489 -4.323 1.00 74.32 H new ATOM 0 HG3 LYS A 29 9.942 -0.222 -2.604 1.00 74.32 H new ATOM 0 HD2 LYS A 29 11.643 -1.900 -2.439 1.00 44.00 H new ATOM 0 HD3 LYS A 29 11.247 -2.572 -4.008 1.00 44.00 H new ATOM 0 HE2 LYS A 29 12.102 -0.614 -5.155 1.00 55.44 H new ATOM 0 HE3 LYS A 29 12.269 0.268 -3.650 1.00 55.44 H new ATOM 0 HZ1 LYS A 29 14.390 -0.587 -4.405 1.00 3.11 H new ATOM 0 HZ2 LYS A 29 13.958 -1.323 -2.937 1.00 3.11 H new ATOM 0 HZ3 LYS A 29 13.795 -2.178 -4.395 1.00 3.11 H new ATOM 58 N LYS A 30 6.859 -4.570 -3.704 1.00 44.43 N ATOM 59 CA LYS A 30 6.396 -5.884 -3.276 1.00 41.33 C ATOM 60 C LYS A 30 6.646 -6.928 -4.360 1.00 63.11 C ATOM 61 O LYS A 30 6.987 -8.073 -4.066 1.00 53.14 O ATOM 62 CB LYS A 30 4.905 -5.831 -2.937 1.00 44.21 C ATOM 63 CG LYS A 30 4.506 -6.759 -1.800 1.00 11.13 C ATOM 64 CD LYS A 30 4.353 -6.001 -0.489 1.00 73.34 C ATOM 65 CE LYS A 30 4.486 -6.928 0.708 1.00 3.10 C ATOM 66 NZ LYS A 30 4.614 -6.171 1.984 1.00 30.15 N ATOM 0 H LYS A 30 6.112 -3.900 -3.886 1.00 44.43 H new ATOM 0 HA LYS A 30 6.957 -6.170 -2.386 1.00 41.33 H new ATOM 0 HB2 LYS A 30 4.637 -4.808 -2.671 1.00 44.21 H new ATOM 0 HB3 LYS A 30 4.329 -6.090 -3.826 1.00 44.21 H new ATOM 0 HG2 LYS A 30 3.567 -7.255 -2.046 1.00 11.13 H new ATOM 0 HG3 LYS A 30 5.258 -7.539 -1.685 1.00 11.13 H new ATOM 0 HD2 LYS A 30 5.109 -5.218 -0.430 1.00 73.34 H new ATOM 0 HD3 LYS A 30 3.381 -5.509 -0.463 1.00 73.34 H new ATOM 0 HE2 LYS A 30 3.615 -7.582 0.759 1.00 3.10 H new ATOM 0 HE3 LYS A 30 5.358 -7.568 0.576 1.00 3.10 H new ATOM 0 HZ1 LYS A 30 4.702 -6.839 2.776 1.00 30.15 H new ATOM 0 HZ2 LYS A 30 5.459 -5.566 1.945 1.00 30.15 H new ATOM 0 HZ3 LYS A 30 3.770 -5.579 2.123 1.00 30.15 H new ATOM 80 N LEU A 31 6.470 -6.524 -5.614 1.00 42.20 N ATOM 81 CA LEU A 31 6.673 -7.423 -6.745 1.00 1.14 C ATOM 82 C LEU A 31 8.152 -7.522 -7.109 1.00 2.41 C ATOM 83 O LEU A 31 8.665 -8.610 -7.367 1.00 22.11 O ATOM 84 CB LEU A 31 5.870 -6.940 -7.956 1.00 4.32 C ATOM 85 CG LEU A 31 6.068 -7.756 -9.235 1.00 13.11 C ATOM 86 CD1 LEU A 31 5.485 -9.151 -9.075 1.00 31.21 C ATOM 87 CD2 LEU A 31 5.436 -7.047 -10.423 1.00 4.24 C ATOM 0 H LEU A 31 6.187 -5.579 -5.873 1.00 42.20 H new ATOM 0 HA LEU A 31 6.324 -8.414 -6.454 1.00 1.14 H new ATOM 0 HB2 LEU A 31 4.811 -6.950 -7.698 1.00 4.32 H new ATOM 0 HB3 LEU A 31 6.138 -5.903 -8.160 1.00 4.32 H new ATOM 0 HG LEU A 31 7.138 -7.850 -9.420 1.00 13.11 H new ATOM 0 HD11 LEU A 31 5.636 -9.716 -9.995 1.00 31.21 H new ATOM 0 HD12 LEU A 31 5.983 -9.661 -8.250 1.00 31.21 H new ATOM 0 HD13 LEU A 31 4.418 -9.078 -8.865 1.00 31.21 H new ATOM 0 HD21 LEU A 31 5.587 -7.642 -11.324 1.00 4.24 H new ATOM 0 HD22 LEU A 31 4.368 -6.921 -10.246 1.00 4.24 H new ATOM 0 HD23 LEU A 31 5.900 -6.069 -10.552 1.00 4.24 H new ATOM 99 N GLY A 32 8.829 -6.380 -7.129 1.00 75.12 N ATOM 100 CA GLY A 32 10.240 -6.362 -7.464 1.00 50.45 C ATOM 101 C GLY A 32 11.084 -7.137 -6.473 1.00 11.21 C ATOM 102 O GLY A 32 11.873 -8.000 -6.860 1.00 31.12 O ATOM 0 H GLY A 32 8.426 -5.467 -6.919 1.00 75.12 H new ATOM 0 HA2 GLY A 32 10.378 -6.782 -8.460 1.00 50.45 H new ATOM 0 HA3 GLY A 32 10.587 -5.330 -7.502 1.00 50.45 H new ATOM 106 N LYS A 33 10.919 -6.830 -5.191 1.00 62.12 N ATOM 107 CA LYS A 33 11.675 -7.504 -4.140 1.00 34.54 C ATOM 108 C LYS A 33 11.438 -9.011 -4.178 1.00 40.13 C ATOM 109 O LYS A 33 12.315 -9.796 -3.822 1.00 35.01 O ATOM 110 CB LYS A 33 11.288 -6.949 -2.767 1.00 1.24 C ATOM 111 CG LYS A 33 12.400 -7.049 -1.734 1.00 3.51 C ATOM 112 CD LYS A 33 12.447 -8.429 -1.098 1.00 30.13 C ATOM 113 CE LYS A 33 13.878 -8.912 -0.923 1.00 13.13 C ATOM 114 NZ LYS A 33 14.537 -8.283 0.254 1.00 74.22 N ATOM 0 H LYS A 33 10.269 -6.120 -4.854 1.00 62.12 H new ATOM 0 HA LYS A 33 12.735 -7.317 -4.314 1.00 34.54 H new ATOM 0 HB2 LYS A 33 10.997 -5.904 -2.876 1.00 1.24 H new ATOM 0 HB3 LYS A 33 10.414 -7.487 -2.400 1.00 1.24 H new ATOM 0 HG2 LYS A 33 13.358 -6.832 -2.207 1.00 3.51 H new ATOM 0 HG3 LYS A 33 12.249 -6.296 -0.961 1.00 3.51 H new ATOM 0 HD2 LYS A 33 11.950 -8.401 -0.128 1.00 30.13 H new ATOM 0 HD3 LYS A 33 11.896 -9.136 -1.718 1.00 30.13 H new ATOM 0 HE2 LYS A 33 13.883 -9.996 -0.806 1.00 13.13 H new ATOM 0 HE3 LYS A 33 14.450 -8.686 -1.823 1.00 13.13 H new ATOM 0 HZ1 LYS A 33 15.511 -8.639 0.338 1.00 74.22 H new ATOM 0 HZ2 LYS A 33 14.555 -7.250 0.131 1.00 74.22 H new ATOM 0 HZ3 LYS A 33 14.006 -8.520 1.117 1.00 74.22 H new ATOM 128 N LYS A 34 10.247 -9.407 -4.617 1.00 60.10 N ATOM 129 CA LYS A 34 9.898 -10.820 -4.704 1.00 63.43 C ATOM 130 C LYS A 34 10.802 -11.539 -5.698 1.00 12.34 C ATOM 131 O LYS A 34 11.475 -12.511 -5.352 1.00 32.13 O ATOM 132 CB LYS A 34 8.436 -10.981 -5.123 1.00 64.21 C ATOM 133 CG LYS A 34 7.928 -12.410 -5.028 1.00 2.40 C ATOM 134 CD LYS A 34 6.412 -12.456 -4.922 1.00 15.33 C ATOM 135 CE LYS A 34 5.905 -13.886 -4.838 1.00 72.03 C ATOM 136 NZ LYS A 34 5.647 -14.466 -6.185 1.00 23.23 N ATOM 0 H LYS A 34 9.509 -8.770 -4.917 1.00 60.10 H new ATOM 0 HA LYS A 34 10.038 -11.266 -3.719 1.00 63.43 H new ATOM 0 HB2 LYS A 34 7.815 -10.341 -4.496 1.00 64.21 H new ATOM 0 HB3 LYS A 34 8.320 -10.631 -6.149 1.00 64.21 H new ATOM 0 HG2 LYS A 34 8.250 -12.971 -5.906 1.00 2.40 H new ATOM 0 HG3 LYS A 34 8.370 -12.897 -4.159 1.00 2.40 H new ATOM 0 HD2 LYS A 34 6.091 -11.902 -4.040 1.00 15.33 H new ATOM 0 HD3 LYS A 34 5.970 -11.962 -5.787 1.00 15.33 H new ATOM 0 HE2 LYS A 34 6.637 -14.500 -4.313 1.00 72.03 H new ATOM 0 HE3 LYS A 34 4.987 -13.911 -4.250 1.00 72.03 H new ATOM 0 HZ1 LYS A 34 5.303 -15.442 -6.083 1.00 23.23 H new ATOM 0 HZ2 LYS A 34 4.930 -13.896 -6.677 1.00 23.23 H new ATOM 0 HZ3 LYS A 34 6.528 -14.466 -6.738 1.00 23.23 H new ATOM 150 N LEU A 35 10.814 -11.052 -6.933 1.00 62.40 N ATOM 151 CA LEU A 35 11.637 -11.643 -7.981 1.00 64.14 C ATOM 152 C LEU A 35 13.118 -11.472 -7.668 1.00 53.04 C ATOM 153 O LEU A 35 13.870 -12.445 -7.618 1.00 72.50 O ATOM 154 CB LEU A 35 11.318 -10.999 -9.332 1.00 12.33 C ATOM 155 CG LEU A 35 11.979 -11.667 -10.539 1.00 30.43 C ATOM 156 CD1 LEU A 35 11.622 -13.145 -10.593 1.00 23.04 C ATOM 157 CD2 LEU A 35 11.565 -10.970 -11.826 1.00 33.32 C ATOM 0 H LEU A 35 10.262 -10.248 -7.233 1.00 62.40 H new ATOM 0 HA LEU A 35 11.411 -12.708 -8.028 1.00 64.14 H new ATOM 0 HB2 LEU A 35 10.238 -11.009 -9.476 1.00 12.33 H new ATOM 0 HB3 LEU A 35 11.625 -9.954 -9.301 1.00 12.33 H new ATOM 0 HG LEU A 35 13.060 -11.579 -10.432 1.00 30.43 H new ATOM 0 HD11 LEU A 35 12.101 -13.604 -11.458 1.00 23.04 H new ATOM 0 HD12 LEU A 35 11.968 -13.636 -9.684 1.00 23.04 H new ATOM 0 HD13 LEU A 35 10.541 -13.255 -10.676 1.00 23.04 H new ATOM 0 HD21 LEU A 35 12.044 -11.458 -12.675 1.00 33.32 H new ATOM 0 HD22 LEU A 35 10.482 -11.027 -11.939 1.00 33.32 H new ATOM 0 HD23 LEU A 35 11.871 -9.925 -11.788 1.00 33.32 H new ATOM 169 N GLU A 36 13.527 -10.225 -7.458 1.00 73.21 N ATOM 170 CA GLU A 36 14.920 -9.915 -7.149 1.00 45.24 C ATOM 171 C GLU A 36 15.429 -10.762 -5.985 1.00 32.51 C ATOM 172 O GLU A 36 16.584 -11.185 -5.973 1.00 35.23 O ATOM 173 CB GLU A 36 15.066 -8.428 -6.814 1.00 64.41 C ATOM 174 CG GLU A 36 15.586 -7.592 -7.971 1.00 42.32 C ATOM 175 CD GLU A 36 17.050 -7.231 -7.817 1.00 63.52 C ATOM 176 OE1 GLU A 36 17.461 -6.882 -6.690 1.00 1.35 O ATOM 177 OE2 GLU A 36 17.788 -7.295 -8.824 1.00 44.14 O ATOM 0 H GLU A 36 12.913 -9.411 -7.496 1.00 73.21 H new ATOM 0 HA GLU A 36 15.520 -10.148 -8.028 1.00 45.24 H new ATOM 0 HB2 GLU A 36 14.097 -8.038 -6.501 1.00 64.41 H new ATOM 0 HB3 GLU A 36 15.742 -8.320 -5.966 1.00 64.41 H new ATOM 0 HG2 GLU A 36 15.447 -8.141 -8.902 1.00 42.32 H new ATOM 0 HG3 GLU A 36 14.996 -6.678 -8.048 1.00 42.32 H new ATOM 184 N GLY A 37 14.559 -11.003 -5.011 1.00 41.05 N ATOM 185 CA GLY A 37 14.939 -11.797 -3.857 1.00 3.33 C ATOM 186 C GLY A 37 15.195 -13.248 -4.208 1.00 43.03 C ATOM 187 O GLY A 37 16.046 -13.900 -3.604 1.00 52.24 O ATOM 0 H GLY A 37 13.597 -10.663 -5.000 1.00 41.05 H new ATOM 0 HA2 GLY A 37 15.836 -11.372 -3.407 1.00 3.33 H new ATOM 0 HA3 GLY A 37 14.150 -11.742 -3.107 1.00 3.33 H new ATOM 191 N ALA A 38 14.457 -13.755 -5.188 1.00 70.52 N ATOM 192 CA ALA A 38 14.612 -15.139 -5.617 1.00 40.41 C ATOM 193 C ALA A 38 15.805 -15.288 -6.553 1.00 75.14 C ATOM 194 O ALA A 38 16.525 -16.282 -6.503 1.00 71.55 O ATOM 195 CB ALA A 38 13.341 -15.625 -6.297 1.00 14.23 C ATOM 0 H ALA A 38 13.747 -13.230 -5.699 1.00 70.52 H new ATOM 0 HA ALA A 38 14.795 -15.752 -4.734 1.00 40.41 H new ATOM 0 HB1 ALA A 38 13.470 -16.660 -6.613 1.00 14.23 H new ATOM 0 HB2 ALA A 38 12.507 -15.560 -5.598 1.00 14.23 H new ATOM 0 HB3 ALA A 38 13.134 -15.003 -7.168 1.00 14.23 H new ATOM 201 N GLY A 39 16.006 -14.292 -7.408 1.00 54.43 N ATOM 202 CA GLY A 39 17.108 -14.327 -8.347 1.00 40.44 C ATOM 203 C GLY A 39 18.457 -14.101 -7.691 1.00 33.32 C ATOM 204 O GLY A 39 19.477 -14.567 -8.196 1.00 22.13 O ATOM 0 H GLY A 39 15.422 -13.458 -7.466 1.00 54.43 H new ATOM 0 HA2 GLY A 39 17.115 -15.292 -8.854 1.00 40.44 H new ATOM 0 HA3 GLY A 39 16.950 -13.566 -9.111 1.00 40.44 H new ATOM 208 N LYS A 40 18.475 -13.381 -6.571 1.00 43.40 N ATOM 209 CA LYS A 40 19.729 -13.105 -5.875 1.00 22.44 C ATOM 210 C LYS A 40 20.369 -14.394 -5.373 1.00 14.34 C ATOM 211 O LYS A 40 21.585 -14.546 -5.424 1.00 21.45 O ATOM 212 CB LYS A 40 19.513 -12.138 -4.709 1.00 14.51 C ATOM 213 CG LYS A 40 18.389 -12.544 -3.772 1.00 14.24 C ATOM 214 CD LYS A 40 18.560 -11.919 -2.396 1.00 42.20 C ATOM 215 CE LYS A 40 17.454 -12.351 -1.446 1.00 62.13 C ATOM 216 NZ LYS A 40 17.918 -12.388 -0.032 1.00 33.54 N ATOM 0 H LYS A 40 17.646 -12.982 -6.131 1.00 43.40 H new ATOM 0 HA LYS A 40 20.404 -12.636 -6.591 1.00 22.44 H new ATOM 0 HB2 LYS A 40 20.438 -12.060 -4.138 1.00 14.51 H new ATOM 0 HB3 LYS A 40 19.300 -11.146 -5.107 1.00 14.51 H new ATOM 0 HG2 LYS A 40 17.432 -12.239 -4.196 1.00 14.24 H new ATOM 0 HG3 LYS A 40 18.365 -13.630 -3.680 1.00 14.24 H new ATOM 0 HD2 LYS A 40 19.528 -12.205 -1.983 1.00 42.20 H new ATOM 0 HD3 LYS A 40 18.560 -10.833 -2.486 1.00 42.20 H new ATOM 0 HE2 LYS A 40 16.612 -11.665 -1.534 1.00 62.13 H new ATOM 0 HE3 LYS A 40 17.092 -13.338 -1.735 1.00 62.13 H new ATOM 0 HZ1 LYS A 40 17.134 -12.687 0.583 1.00 33.54 H new ATOM 0 HZ2 LYS A 40 18.705 -13.062 0.058 1.00 33.54 H new ATOM 0 HZ3 LYS A 40 18.239 -11.441 0.253 1.00 33.54 H new ATOM 230 N ARG A 41 19.551 -15.321 -4.894 1.00 11.33 N ATOM 231 CA ARG A 41 20.060 -16.597 -4.403 1.00 3.12 C ATOM 232 C ARG A 41 20.299 -17.559 -5.565 1.00 31.04 C ATOM 233 O ARG A 41 21.189 -18.407 -5.516 1.00 21.22 O ATOM 234 CB ARG A 41 19.084 -17.217 -3.393 1.00 14.45 C ATOM 235 CG ARG A 41 17.863 -17.866 -4.029 1.00 20.33 C ATOM 236 CD ARG A 41 18.108 -19.336 -4.349 1.00 30.52 C ATOM 237 NE ARG A 41 17.926 -20.188 -3.175 1.00 34.23 N ATOM 238 CZ ARG A 41 18.919 -20.596 -2.384 1.00 23.32 C ATOM 239 NH1 ARG A 41 20.174 -20.240 -2.636 1.00 42.33 N ATOM 240 NH2 ARG A 41 18.655 -21.366 -1.337 1.00 21.52 N ATOM 0 H ARG A 41 18.538 -15.216 -4.834 1.00 11.33 H new ATOM 0 HA ARG A 41 21.009 -16.415 -3.899 1.00 3.12 H new ATOM 0 HB2 ARG A 41 19.614 -17.965 -2.803 1.00 14.45 H new ATOM 0 HB3 ARG A 41 18.752 -16.442 -2.702 1.00 14.45 H new ATOM 0 HG2 ARG A 41 17.011 -17.777 -3.355 1.00 20.33 H new ATOM 0 HG3 ARG A 41 17.602 -17.333 -4.943 1.00 20.33 H new ATOM 0 HD2 ARG A 41 17.426 -19.654 -5.138 1.00 30.52 H new ATOM 0 HD3 ARG A 41 19.120 -19.460 -4.734 1.00 30.52 H new ATOM 0 HE ARG A 41 16.979 -20.490 -2.946 1.00 34.23 H new ATOM 0 HH11 ARG A 41 20.385 -19.649 -3.440 1.00 42.33 H new ATOM 0 HH12 ARG A 41 20.927 -20.557 -2.025 1.00 42.33 H new ATOM 0 HH21 ARG A 41 17.694 -21.645 -1.138 1.00 21.52 H new ATOM 0 HH22 ARG A 41 19.413 -21.679 -0.730 1.00 21.52 H new ATOM 254 N VAL A 42 19.473 -17.426 -6.598 1.00 63.42 N ATOM 255 CA VAL A 42 19.553 -18.284 -7.775 1.00 43.44 C ATOM 256 C VAL A 42 20.642 -17.837 -8.740 1.00 44.10 C ATOM 257 O VAL A 42 21.124 -18.630 -9.548 1.00 2.53 O ATOM 258 CB VAL A 42 18.211 -18.312 -8.521 1.00 11.45 C ATOM 259 CG1 VAL A 42 18.258 -19.283 -9.692 1.00 2.41 C ATOM 260 CG2 VAL A 42 17.094 -18.672 -7.565 1.00 10.12 C ATOM 0 H VAL A 42 18.734 -16.725 -6.643 1.00 63.42 H new ATOM 0 HA VAL A 42 19.800 -19.282 -7.413 1.00 43.44 H new ATOM 0 HB VAL A 42 18.018 -17.318 -8.924 1.00 11.45 H new ATOM 0 HG11 VAL A 42 17.295 -19.284 -10.203 1.00 2.41 H new ATOM 0 HG12 VAL A 42 19.038 -18.976 -10.388 1.00 2.41 H new ATOM 0 HG13 VAL A 42 18.474 -20.286 -9.324 1.00 2.41 H new ATOM 0 HG21 VAL A 42 16.146 -18.689 -8.103 1.00 10.12 H new ATOM 0 HG22 VAL A 42 17.286 -19.655 -7.135 1.00 10.12 H new ATOM 0 HG23 VAL A 42 17.045 -17.931 -6.767 1.00 10.12 H new ATOM 270 N PHE A 43 21.022 -16.568 -8.671 1.00 34.14 N ATOM 271 CA PHE A 43 22.050 -16.041 -9.559 1.00 65.42 C ATOM 272 C PHE A 43 23.283 -16.946 -9.560 1.00 53.31 C ATOM 273 O PHE A 43 24.017 -17.008 -10.545 1.00 24.34 O ATOM 274 CB PHE A 43 22.418 -14.609 -9.158 1.00 55.50 C ATOM 275 CG PHE A 43 23.481 -14.518 -8.104 1.00 42.41 C ATOM 276 CD1 PHE A 43 23.417 -15.300 -6.965 1.00 4.45 C ATOM 277 CD2 PHE A 43 24.538 -13.642 -8.254 1.00 11.33 C ATOM 278 CE1 PHE A 43 24.394 -15.212 -5.992 1.00 42.35 C ATOM 279 CE2 PHE A 43 25.519 -13.545 -7.286 1.00 41.53 C ATOM 280 CZ PHE A 43 25.447 -14.332 -6.152 1.00 35.12 C ATOM 0 H PHE A 43 20.637 -15.889 -8.015 1.00 34.14 H new ATOM 0 HA PHE A 43 21.653 -16.019 -10.574 1.00 65.42 H new ATOM 0 HB2 PHE A 43 22.754 -14.071 -10.044 1.00 55.50 H new ATOM 0 HB3 PHE A 43 21.522 -14.103 -8.799 1.00 55.50 H new ATOM 0 HD1 PHE A 43 22.594 -15.987 -6.835 1.00 4.45 H new ATOM 0 HD2 PHE A 43 24.598 -13.025 -9.139 1.00 11.33 H new ATOM 0 HE1 PHE A 43 24.335 -15.830 -5.108 1.00 42.35 H new ATOM 0 HE2 PHE A 43 26.340 -12.856 -7.415 1.00 41.53 H new ATOM 0 HZ PHE A 43 26.212 -14.259 -5.393 1.00 35.12 H new ATOM 290 N LYS A 44 23.491 -17.664 -8.457 1.00 63.03 N ATOM 291 CA LYS A 44 24.618 -18.581 -8.342 1.00 32.20 C ATOM 292 C LYS A 44 24.317 -19.862 -9.109 1.00 15.23 C ATOM 293 O LYS A 44 25.214 -20.501 -9.660 1.00 23.31 O ATOM 294 CB LYS A 44 24.897 -18.902 -6.872 1.00 5.32 C ATOM 295 CG LYS A 44 26.378 -19.003 -6.541 1.00 14.31 C ATOM 296 CD LYS A 44 26.626 -18.858 -5.048 1.00 75.53 C ATOM 297 CE LYS A 44 28.091 -19.072 -4.703 1.00 2.34 C ATOM 298 NZ LYS A 44 28.532 -18.191 -3.586 1.00 12.41 N ATOM 0 H LYS A 44 22.892 -17.627 -7.632 1.00 63.03 H new ATOM 0 HA LYS A 44 25.503 -18.108 -8.767 1.00 32.20 H new ATOM 0 HB2 LYS A 44 24.446 -18.130 -6.248 1.00 5.32 H new ATOM 0 HB3 LYS A 44 24.411 -19.843 -6.616 1.00 5.32 H new ATOM 0 HG2 LYS A 44 26.764 -19.963 -6.883 1.00 14.31 H new ATOM 0 HG3 LYS A 44 26.926 -18.229 -7.079 1.00 14.31 H new ATOM 0 HD2 LYS A 44 26.315 -17.866 -4.721 1.00 75.53 H new ATOM 0 HD3 LYS A 44 26.014 -19.578 -4.505 1.00 75.53 H new ATOM 0 HE2 LYS A 44 28.251 -20.115 -4.428 1.00 2.34 H new ATOM 0 HE3 LYS A 44 28.704 -18.877 -5.583 1.00 2.34 H new ATOM 0 HZ1 LYS A 44 29.536 -18.367 -3.381 1.00 12.41 H new ATOM 0 HZ2 LYS A 44 28.403 -17.195 -3.858 1.00 12.41 H new ATOM 0 HZ3 LYS A 44 27.965 -18.395 -2.738 1.00 12.41 H new ATOM 312 N ALA A 45 23.037 -20.215 -9.148 1.00 35.11 N ATOM 313 CA ALA A 45 22.581 -21.400 -9.853 1.00 23.32 C ATOM 314 C ALA A 45 22.524 -21.134 -11.353 1.00 33.11 C ATOM 315 O ALA A 45 22.773 -22.025 -12.165 1.00 3.10 O ATOM 316 CB ALA A 45 21.210 -21.815 -9.334 1.00 43.34 C ATOM 0 H ALA A 45 22.292 -19.688 -8.693 1.00 35.11 H new ATOM 0 HA ALA A 45 23.286 -22.212 -9.674 1.00 23.32 H new ATOM 0 HB1 ALA A 45 20.873 -22.704 -9.867 1.00 43.34 H new ATOM 0 HB2 ALA A 45 21.275 -22.033 -8.268 1.00 43.34 H new ATOM 0 HB3 ALA A 45 20.499 -21.005 -9.495 1.00 43.34 H new ATOM 322 N SER A 46 22.196 -19.894 -11.709 1.00 11.33 N ATOM 323 CA SER A 46 22.105 -19.494 -13.107 1.00 62.45 C ATOM 324 C SER A 46 23.472 -19.086 -13.650 1.00 32.40 C ATOM 325 O SER A 46 23.855 -19.486 -14.750 1.00 64.34 O ATOM 326 CB SER A 46 21.116 -18.339 -13.266 1.00 2.11 C ATOM 327 OG SER A 46 20.345 -18.485 -14.446 1.00 33.10 O ATOM 0 H SER A 46 21.989 -19.148 -11.045 1.00 11.33 H new ATOM 0 HA SER A 46 21.749 -20.351 -13.679 1.00 62.45 H new ATOM 0 HB2 SER A 46 20.456 -18.300 -12.399 1.00 2.11 H new ATOM 0 HB3 SER A 46 21.658 -17.394 -13.297 1.00 2.11 H new ATOM 0 HG SER A 46 19.719 -17.735 -14.523 1.00 33.10 H new ATOM 333 N GLU A 47 24.206 -18.287 -12.876 1.00 71.45 N ATOM 334 CA GLU A 47 25.530 -17.831 -13.292 1.00 71.24 C ATOM 335 C GLU A 47 26.407 -19.012 -13.697 1.00 60.43 C ATOM 336 O GLU A 47 27.201 -18.919 -14.633 1.00 71.11 O ATOM 337 CB GLU A 47 26.211 -17.038 -12.173 1.00 30.33 C ATOM 338 CG GLU A 47 26.568 -17.877 -10.957 1.00 13.35 C ATOM 339 CD GLU A 47 27.880 -18.619 -11.124 1.00 55.24 C ATOM 340 OE1 GLU A 47 28.686 -18.214 -11.988 1.00 60.54 O ATOM 341 OE2 GLU A 47 28.101 -19.606 -10.390 1.00 23.44 O ATOM 0 H GLU A 47 23.908 -17.944 -11.963 1.00 71.45 H new ATOM 0 HA GLU A 47 25.400 -17.177 -14.155 1.00 71.24 H new ATOM 0 HB2 GLU A 47 27.119 -16.579 -12.566 1.00 30.33 H new ATOM 0 HB3 GLU A 47 25.553 -16.227 -11.863 1.00 30.33 H new ATOM 0 HG2 GLU A 47 26.629 -17.232 -10.081 1.00 13.35 H new ATOM 0 HG3 GLU A 47 25.770 -18.595 -10.769 1.00 13.35 H new ATOM 348 N LYS A 48 26.256 -20.122 -12.981 1.00 44.45 N ATOM 349 CA LYS A 48 27.033 -21.324 -13.262 1.00 54.33 C ATOM 350 C LYS A 48 26.697 -21.876 -14.644 1.00 74.44 C ATOM 351 O LYS A 48 27.556 -22.436 -15.324 1.00 14.52 O ATOM 352 CB LYS A 48 26.768 -22.389 -12.196 1.00 34.14 C ATOM 353 CG LYS A 48 27.996 -23.211 -11.841 1.00 61.22 C ATOM 354 CD LYS A 48 28.780 -22.578 -10.701 1.00 51.44 C ATOM 355 CE LYS A 48 30.050 -23.355 -10.400 1.00 12.33 C ATOM 356 NZ LYS A 48 29.761 -24.758 -9.994 1.00 41.00 N ATOM 0 H LYS A 48 25.603 -20.214 -12.203 1.00 44.45 H new ATOM 0 HA LYS A 48 28.090 -21.057 -13.243 1.00 54.33 H new ATOM 0 HB2 LYS A 48 26.392 -21.904 -11.295 1.00 34.14 H new ATOM 0 HB3 LYS A 48 25.983 -23.058 -12.549 1.00 34.14 H new ATOM 0 HG2 LYS A 48 27.691 -24.219 -11.559 1.00 61.22 H new ATOM 0 HG3 LYS A 48 28.638 -23.305 -12.717 1.00 61.22 H new ATOM 0 HD2 LYS A 48 29.034 -21.550 -10.959 1.00 51.44 H new ATOM 0 HD3 LYS A 48 28.157 -22.538 -9.808 1.00 51.44 H new ATOM 0 HE2 LYS A 48 30.691 -23.357 -11.281 1.00 12.33 H new ATOM 0 HE3 LYS A 48 30.602 -22.854 -9.605 1.00 12.33 H new ATOM 0 HZ1 LYS A 48 30.631 -25.202 -9.636 1.00 41.00 H new ATOM 0 HZ2 LYS A 48 29.038 -24.761 -9.247 1.00 41.00 H new ATOM 0 HZ3 LYS A 48 29.412 -25.292 -10.815 1.00 41.00 H new ATOM 370 N ALA A 49 25.444 -21.712 -15.052 1.00 2.45 N ATOM 371 CA ALA A 49 24.998 -22.194 -16.354 1.00 73.13 C ATOM 372 C ALA A 49 24.911 -21.067 -17.370 1.00 2.52 C ATOM 373 O ALA A 49 24.349 -21.253 -18.443 1.00 63.33 O ATOM 374 CB ALA A 49 23.652 -22.882 -16.239 1.00 51.32 C ATOM 0 H ALA A 49 24.720 -21.250 -14.502 1.00 2.45 H new ATOM 0 HA ALA A 49 25.740 -22.912 -16.703 1.00 73.13 H new ATOM 0 HB1 ALA A 49 23.338 -23.234 -17.222 1.00 51.32 H new ATOM 0 HB2 ALA A 49 23.734 -23.730 -15.559 1.00 51.32 H new ATOM 0 HB3 ALA A 49 22.915 -22.178 -15.853 1.00 51.32 H new ATOM 380 N LEU A 50 25.478 -19.902 -17.055 1.00 54.34 N ATOM 381 CA LEU A 50 25.446 -18.793 -18.000 1.00 25.32 C ATOM 382 C LEU A 50 26.051 -19.224 -19.326 1.00 44.14 C ATOM 383 O LEU A 50 25.497 -18.970 -20.386 1.00 41.41 O ATOM 384 CB LEU A 50 26.161 -17.553 -17.450 1.00 32.22 C ATOM 385 CG LEU A 50 26.261 -16.369 -18.411 1.00 42.11 C ATOM 386 CD1 LEU A 50 25.997 -15.062 -17.677 1.00 52.25 C ATOM 387 CD2 LEU A 50 27.631 -16.337 -19.075 1.00 45.20 C ATOM 0 H LEU A 50 25.953 -19.707 -16.174 1.00 54.34 H new ATOM 0 HA LEU A 50 24.404 -18.516 -18.158 1.00 25.32 H new ATOM 0 HB2 LEU A 50 25.641 -17.225 -16.550 1.00 32.22 H new ATOM 0 HB3 LEU A 50 27.169 -17.840 -17.149 1.00 32.22 H new ATOM 0 HG LEU A 50 25.503 -16.489 -19.185 1.00 42.11 H new ATOM 0 HD11 LEU A 50 26.072 -14.230 -18.377 1.00 52.25 H new ATOM 0 HD12 LEU A 50 24.997 -15.083 -17.245 1.00 52.25 H new ATOM 0 HD13 LEU A 50 26.733 -14.936 -16.883 1.00 52.25 H new ATOM 0 HD21 LEU A 50 27.685 -15.488 -19.756 1.00 45.20 H new ATOM 0 HD22 LEU A 50 28.403 -16.240 -18.312 1.00 45.20 H new ATOM 0 HD23 LEU A 50 27.787 -17.260 -19.633 1.00 45.20 H new ATOM 399 N PRO A 51 27.168 -19.946 -19.264 1.00 5.45 N ATOM 400 CA PRO A 51 27.828 -20.486 -20.446 1.00 41.13 C ATOM 401 C PRO A 51 26.932 -21.522 -21.114 1.00 35.10 C ATOM 402 O PRO A 51 27.037 -21.789 -22.311 1.00 74.21 O ATOM 403 CB PRO A 51 29.100 -21.155 -19.901 1.00 60.13 C ATOM 404 CG PRO A 51 29.190 -20.777 -18.456 1.00 23.10 C ATOM 405 CD PRO A 51 27.817 -20.344 -18.024 1.00 42.33 C ATOM 0 HA PRO A 51 28.047 -19.722 -21.192 1.00 41.13 H new ATOM 0 HB2 PRO A 51 29.050 -22.238 -20.017 1.00 60.13 H new ATOM 0 HB3 PRO A 51 29.981 -20.817 -20.447 1.00 60.13 H new ATOM 0 HG2 PRO A 51 29.533 -21.621 -17.858 1.00 23.10 H new ATOM 0 HG3 PRO A 51 29.910 -19.971 -18.313 1.00 23.10 H new ATOM 0 HD2 PRO A 51 27.278 -21.155 -17.534 1.00 42.33 H new ATOM 0 HD3 PRO A 51 27.864 -19.518 -17.315 1.00 42.33 H new ATOM 413 N VAL A 52 26.045 -22.098 -20.304 1.00 32.24 N ATOM 414 CA VAL A 52 25.100 -23.108 -20.755 1.00 50.44 C ATOM 415 C VAL A 52 23.755 -22.486 -21.108 1.00 31.41 C ATOM 416 O VAL A 52 22.934 -23.111 -21.774 1.00 33.21 O ATOM 417 CB VAL A 52 24.910 -24.185 -19.666 1.00 64.51 C ATOM 418 CG1 VAL A 52 23.759 -25.116 -19.994 1.00 52.32 C ATOM 419 CG2 VAL A 52 26.197 -24.967 -19.462 1.00 55.42 C ATOM 0 H VAL A 52 25.965 -21.873 -19.312 1.00 32.24 H new ATOM 0 HA VAL A 52 25.508 -23.572 -21.653 1.00 50.44 H new ATOM 0 HB VAL A 52 24.661 -23.676 -18.735 1.00 64.51 H new ATOM 0 HG11 VAL A 52 23.657 -25.860 -19.204 1.00 52.32 H new ATOM 0 HG12 VAL A 52 22.837 -24.541 -20.072 1.00 52.32 H new ATOM 0 HG13 VAL A 52 23.955 -25.617 -20.942 1.00 52.32 H new ATOM 0 HG21 VAL A 52 26.045 -25.722 -18.691 1.00 55.42 H new ATOM 0 HG22 VAL A 52 26.479 -25.453 -20.396 1.00 55.42 H new ATOM 0 HG23 VAL A 52 26.991 -24.287 -19.153 1.00 55.42 H new ATOM 429 N VAL A 53 23.550 -21.251 -20.672 1.00 14.35 N ATOM 430 CA VAL A 53 22.326 -20.520 -20.958 1.00 10.31 C ATOM 431 C VAL A 53 22.582 -19.560 -22.109 1.00 22.25 C ATOM 432 O VAL A 53 21.685 -19.236 -22.887 1.00 31.42 O ATOM 433 CB VAL A 53 21.842 -19.728 -19.725 1.00 54.31 C ATOM 434 CG1 VAL A 53 20.545 -18.994 -20.029 1.00 41.05 C ATOM 435 CG2 VAL A 53 21.674 -20.653 -18.526 1.00 34.12 C ATOM 0 H VAL A 53 24.225 -20.730 -20.112 1.00 14.35 H new ATOM 0 HA VAL A 53 21.549 -21.236 -21.224 1.00 10.31 H new ATOM 0 HB VAL A 53 22.599 -18.984 -19.478 1.00 54.31 H new ATOM 0 HG11 VAL A 53 20.223 -18.443 -19.145 1.00 41.05 H new ATOM 0 HG12 VAL A 53 20.705 -18.298 -20.852 1.00 41.05 H new ATOM 0 HG13 VAL A 53 19.776 -19.714 -20.307 1.00 41.05 H new ATOM 0 HG21 VAL A 53 21.332 -20.076 -17.667 1.00 34.12 H new ATOM 0 HG22 VAL A 53 20.940 -21.424 -18.761 1.00 34.12 H new ATOM 0 HG23 VAL A 53 22.630 -21.122 -18.291 1.00 34.12 H new ATOM 445 N VAL A 54 23.836 -19.126 -22.211 1.00 14.43 N ATOM 446 CA VAL A 54 24.260 -18.221 -23.260 1.00 43.40 C ATOM 447 C VAL A 54 24.551 -18.982 -24.533 1.00 34.12 C ATOM 448 O VAL A 54 24.182 -18.551 -25.617 1.00 32.04 O ATOM 449 CB VAL A 54 25.522 -17.435 -22.855 1.00 44.51 C ATOM 450 CG1 VAL A 54 25.308 -16.698 -21.539 1.00 42.41 C ATOM 451 CG2 VAL A 54 26.731 -18.358 -22.757 1.00 43.52 C ATOM 0 H VAL A 54 24.580 -19.395 -21.567 1.00 14.43 H new ATOM 0 HA VAL A 54 23.443 -17.519 -23.424 1.00 43.40 H new ATOM 0 HB VAL A 54 25.716 -16.696 -23.633 1.00 44.51 H new ATOM 0 HG11 VAL A 54 26.214 -16.152 -21.277 1.00 42.41 H new ATOM 0 HG12 VAL A 54 24.480 -15.998 -21.645 1.00 42.41 H new ATOM 0 HG13 VAL A 54 25.077 -17.417 -20.753 1.00 42.41 H new ATOM 0 HG21 VAL A 54 27.609 -17.779 -22.470 1.00 43.52 H new ATOM 0 HG22 VAL A 54 26.542 -19.127 -22.008 1.00 43.52 H new ATOM 0 HG23 VAL A 54 26.908 -18.830 -23.724 1.00 43.52 H new ATOM 461 N GLY A 55 25.213 -20.120 -24.392 1.00 23.05 N ATOM 462 CA GLY A 55 25.540 -20.930 -25.546 1.00 12.43 C ATOM 463 C GLY A 55 24.369 -21.071 -26.487 1.00 65.23 C ATOM 464 O GLY A 55 24.547 -21.202 -27.694 1.00 11.14 O ATOM 0 H GLY A 55 25.530 -20.497 -23.499 1.00 23.05 H new ATOM 0 HA2 GLY A 55 26.380 -20.482 -26.077 1.00 12.43 H new ATOM 0 HA3 GLY A 55 25.861 -21.918 -25.216 1.00 12.43 H new ATOM 468 N ILE A 56 23.165 -21.020 -25.932 1.00 64.22 N ATOM 469 CA ILE A 56 21.953 -21.121 -26.747 1.00 43.12 C ATOM 470 C ILE A 56 21.605 -19.758 -27.321 1.00 12.24 C ATOM 471 O ILE A 56 21.228 -19.635 -28.486 1.00 51.01 O ATOM 472 CB ILE A 56 20.746 -21.647 -25.945 1.00 44.51 C ATOM 473 CG1 ILE A 56 21.198 -22.643 -24.880 1.00 55.42 C ATOM 474 CG2 ILE A 56 19.729 -22.286 -26.878 1.00 13.55 C ATOM 475 CD1 ILE A 56 21.315 -22.023 -23.509 1.00 73.25 C ATOM 0 H ILE A 56 22.998 -20.911 -24.932 1.00 64.22 H new ATOM 0 HA ILE A 56 22.163 -21.834 -27.544 1.00 43.12 H new ATOM 0 HB ILE A 56 20.273 -20.804 -25.442 1.00 44.51 H new ATOM 0 HG12 ILE A 56 20.490 -23.471 -24.840 1.00 55.42 H new ATOM 0 HG13 ILE A 56 22.162 -23.062 -25.167 1.00 55.42 H new ATOM 0 HG21 ILE A 56 18.883 -22.653 -26.297 1.00 13.55 H new ATOM 0 HG22 ILE A 56 19.381 -21.546 -27.599 1.00 13.55 H new ATOM 0 HG23 ILE A 56 20.193 -23.118 -27.407 1.00 13.55 H new ATOM 0 HD11 ILE A 56 21.640 -22.779 -22.794 1.00 73.25 H new ATOM 0 HD12 ILE A 56 22.044 -21.213 -23.537 1.00 73.25 H new ATOM 0 HD13 ILE A 56 20.346 -21.628 -23.204 1.00 73.25 H new ATOM 487 N LYS A 57 21.760 -18.728 -26.497 1.00 74.24 N ATOM 488 CA LYS A 57 21.493 -17.367 -26.929 1.00 13.21 C ATOM 489 C LYS A 57 22.642 -16.878 -27.805 1.00 73.43 C ATOM 490 O LYS A 57 22.481 -15.956 -28.604 1.00 72.24 O ATOM 491 CB LYS A 57 21.318 -16.444 -25.721 1.00 1.21 C ATOM 492 CG LYS A 57 19.864 -16.169 -25.374 1.00 54.41 C ATOM 493 CD LYS A 57 19.502 -14.707 -25.591 1.00 71.41 C ATOM 494 CE LYS A 57 20.047 -13.828 -24.476 1.00 73.33 C ATOM 495 NZ LYS A 57 19.246 -12.583 -24.310 1.00 31.25 N ATOM 0 H LYS A 57 22.069 -18.812 -25.528 1.00 74.24 H new ATOM 0 HA LYS A 57 20.568 -17.352 -27.505 1.00 13.21 H new ATOM 0 HB2 LYS A 57 21.811 -16.891 -24.858 1.00 1.21 H new ATOM 0 HB3 LYS A 57 21.821 -15.498 -25.921 1.00 1.21 H new ATOM 0 HG2 LYS A 57 19.218 -16.799 -25.986 1.00 54.41 H new ATOM 0 HG3 LYS A 57 19.680 -16.439 -24.334 1.00 54.41 H new ATOM 0 HD2 LYS A 57 19.900 -14.371 -26.549 1.00 71.41 H new ATOM 0 HD3 LYS A 57 18.418 -14.603 -25.642 1.00 71.41 H new ATOM 0 HE2 LYS A 57 20.048 -14.387 -23.540 1.00 73.33 H new ATOM 0 HE3 LYS A 57 21.083 -13.567 -24.692 1.00 73.33 H new ATOM 0 HZ1 LYS A 57 19.649 -12.011 -23.541 1.00 31.25 H new ATOM 0 HZ2 LYS A 57 19.266 -12.037 -25.195 1.00 31.25 H new ATOM 0 HZ3 LYS A 57 18.263 -12.831 -24.078 1.00 31.25 H new ATOM 509 N ALA A 58 23.801 -17.519 -27.651 1.00 44.32 N ATOM 510 CA ALA A 58 24.977 -17.168 -28.430 1.00 11.12 C ATOM 511 C ALA A 58 24.963 -17.895 -29.772 1.00 23.53 C ATOM 512 O ALA A 58 25.517 -17.412 -30.759 1.00 32.41 O ATOM 513 CB ALA A 58 26.240 -17.495 -27.645 1.00 31.13 C ATOM 0 H ALA A 58 23.945 -18.284 -26.992 1.00 44.32 H new ATOM 0 HA ALA A 58 24.964 -16.096 -28.628 1.00 11.12 H new ATOM 0 HB1 ALA A 58 27.116 -17.228 -28.237 1.00 31.13 H new ATOM 0 HB2 ALA A 58 26.246 -16.929 -26.713 1.00 31.13 H new ATOM 0 HB3 ALA A 58 26.264 -18.562 -27.422 1.00 31.13 H new ATOM 519 N ILE A 59 24.308 -19.054 -29.800 1.00 61.22 N ATOM 520 CA ILE A 59 24.199 -19.846 -31.019 1.00 21.43 C ATOM 521 C ILE A 59 22.935 -19.477 -31.778 1.00 74.54 C ATOM 522 O ILE A 59 22.960 -19.278 -32.992 1.00 1.51 O ATOM 523 CB ILE A 59 24.195 -21.356 -30.720 1.00 34.21 C ATOM 524 CG1 ILE A 59 23.028 -21.736 -29.810 1.00 10.45 C ATOM 525 CG2 ILE A 59 25.513 -21.750 -30.090 1.00 74.23 C ATOM 526 CD1 ILE A 59 21.774 -22.126 -30.563 1.00 1.10 C ATOM 0 H ILE A 59 23.844 -19.464 -28.989 1.00 61.22 H new ATOM 0 HA ILE A 59 25.073 -19.622 -31.630 1.00 21.43 H new ATOM 0 HB ILE A 59 24.069 -21.897 -31.658 1.00 34.21 H new ATOM 0 HG12 ILE A 59 23.331 -22.566 -29.172 1.00 10.45 H new ATOM 0 HG13 ILE A 59 22.801 -20.896 -29.154 1.00 10.45 H new ATOM 0 HG21 ILE A 59 25.510 -22.819 -29.878 1.00 74.23 H new ATOM 0 HG22 ILE A 59 26.328 -21.518 -30.776 1.00 74.23 H new ATOM 0 HG23 ILE A 59 25.652 -21.197 -29.161 1.00 74.23 H new ATOM 0 HD11 ILE A 59 20.988 -22.383 -29.853 1.00 1.10 H new ATOM 0 HD12 ILE A 59 21.446 -21.290 -31.181 1.00 1.10 H new ATOM 0 HD13 ILE A 59 21.984 -22.986 -31.199 1.00 1.10 H new ATOM 538 N GLY A 60 21.838 -19.361 -31.045 1.00 54.31 N ATOM 539 CA GLY A 60 20.582 -18.985 -31.653 1.00 23.14 C ATOM 540 C GLY A 60 20.427 -17.480 -31.706 1.00 42.32 C ATOM 541 O GLY A 60 19.439 -16.964 -32.230 1.00 11.43 O ATOM 0 H GLY A 60 21.797 -19.521 -30.038 1.00 54.31 H new ATOM 0 HA2 GLY A 60 20.526 -19.394 -32.662 1.00 23.14 H new ATOM 0 HA3 GLY A 60 19.757 -19.418 -31.087 1.00 23.14 H new ATOM 545 N LYS A 61 21.416 -16.773 -31.159 1.00 1.30 N ATOM 546 CA LYS A 61 21.395 -15.314 -31.141 1.00 74.14 C ATOM 547 C LYS A 61 20.162 -14.796 -30.409 1.00 33.30 C ATOM 548 O LYS A 61 20.269 -14.514 -29.198 1.00 55.40 O ATOM 549 CB LYS A 61 21.423 -14.765 -32.570 1.00 2.31 C ATOM 550 CG LYS A 61 22.766 -14.941 -33.262 1.00 53.11 C ATOM 551 CD LYS A 61 23.475 -13.610 -33.456 1.00 54.11 C ATOM 552 CE LYS A 61 24.903 -13.803 -33.939 1.00 72.53 C ATOM 553 NZ LYS A 61 25.681 -12.535 -33.896 1.00 73.30 N ATOM 554 OXT LYS A 61 19.098 -14.675 -31.055 1.00 37.20 O ATOM 0 H LYS A 61 22.240 -17.188 -30.724 1.00 1.30 H new ATOM 0 HA LYS A 61 22.282 -14.969 -30.609 1.00 74.14 H new ATOM 0 HB2 LYS A 61 20.652 -15.264 -33.158 1.00 2.31 H new ATOM 0 HB3 LYS A 61 21.171 -13.705 -32.548 1.00 2.31 H new ATOM 0 HG2 LYS A 61 23.396 -15.606 -32.671 1.00 53.11 H new ATOM 0 HG3 LYS A 61 22.617 -15.419 -34.230 1.00 53.11 H new ATOM 0 HD2 LYS A 61 22.925 -13.006 -34.177 1.00 54.11 H new ATOM 0 HD3 LYS A 61 23.480 -13.059 -32.516 1.00 54.11 H new ATOM 0 HE2 LYS A 61 25.397 -14.553 -33.321 1.00 72.53 H new ATOM 0 HE3 LYS A 61 24.892 -14.188 -34.959 1.00 72.53 H new ATOM 0 HZ1 LYS A 61 26.649 -12.710 -34.233 1.00 73.30 H new ATOM 0 HZ2 LYS A 61 25.225 -11.827 -34.506 1.00 73.30 H new ATOM 0 HZ3 LYS A 61 25.714 -12.181 -32.919 1.00 73.30 H new