USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 264 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 Set 1.1: A 11 MET CE :methyl -167:sc= -1.07 (180deg=-1.7) USER MOD Set 1.2: A 15 GLN : amide:sc= -2.59 K(o=-3.7,f=-1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 31 THR OG1 : rot 22:sc= 0.411 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.433 0.275 -0.045 1.00 62.03 N ATOM 2 CA GLY A 1 2.207 0.301 -1.273 1.00 31.12 C ATOM 3 C GLY A 1 2.945 -1.000 -1.520 1.00 41.34 C ATOM 4 O GLY A 1 3.930 -1.300 -0.846 1.00 22.31 O ATOM 0 H1 GLY A 1 0.948 1.186 0.079 1.00 62.03 H new ATOM 0 H2 GLY A 1 0.729 -0.489 -0.095 1.00 62.03 H new ATOM 0 H3 GLY A 1 2.068 0.108 0.762 1.00 62.03 H new ATOM 0 HA2 GLY A 1 1.543 0.504 -2.113 1.00 31.12 H new ATOM 0 HA3 GLY A 1 2.925 1.120 -1.229 1.00 31.12 H new ATOM 10 N ASP A 2 2.468 -1.774 -2.489 1.00 12.23 N ATOM 11 CA ASP A 2 3.089 -3.050 -2.824 1.00 3.30 C ATOM 12 C ASP A 2 3.133 -3.252 -4.335 1.00 63.23 C ATOM 13 O ASP A 2 4.203 -3.224 -4.944 1.00 15.15 O ATOM 14 CB ASP A 2 2.328 -4.201 -2.165 1.00 3.15 C ATOM 15 CG ASP A 2 0.849 -3.906 -2.013 1.00 40.44 C ATOM 16 OD1 ASP A 2 0.079 -4.243 -2.937 1.00 51.33 O ATOM 17 OD2 ASP A 2 0.461 -3.338 -0.971 1.00 62.20 O1- ATOM 0 H ASP A 2 1.653 -1.540 -3.056 1.00 12.23 H new ATOM 0 HA ASP A 2 4.112 -3.039 -2.447 1.00 3.30 H new ATOM 0 HB2 ASP A 2 2.456 -5.105 -2.760 1.00 3.15 H new ATOM 0 HB3 ASP A 2 2.758 -4.402 -1.184 1.00 3.15 H new ATOM 22 N GLU A 3 1.964 -3.457 -4.934 1.00 62.51 N ATOM 23 CA GLU A 3 1.871 -3.667 -6.374 1.00 73.11 C ATOM 24 C GLU A 3 2.032 -2.350 -7.127 1.00 44.23 C ATOM 25 O GLU A 3 2.416 -2.334 -8.297 1.00 22.50 O ATOM 26 CB GLU A 3 0.529 -4.311 -6.732 1.00 45.42 C ATOM 27 CG GLU A 3 0.312 -5.666 -6.081 1.00 72.34 C ATOM 28 CD GLU A 3 -1.009 -6.297 -6.476 1.00 35.34 C ATOM 29 OE1 GLU A 3 -2.039 -5.952 -5.858 1.00 23.21 O ATOM 30 OE2 GLU A 3 -1.015 -7.136 -7.401 1.00 5.31 O1- ATOM 0 H GLU A 3 1.069 -3.482 -4.445 1.00 62.51 H new ATOM 0 HA GLU A 3 2.678 -4.337 -6.671 1.00 73.11 H new ATOM 0 HB2 GLU A 3 -0.277 -3.641 -6.434 1.00 45.42 H new ATOM 0 HB3 GLU A 3 0.467 -4.423 -7.814 1.00 45.42 H new ATOM 0 HG2 GLU A 3 1.127 -6.334 -6.360 1.00 72.34 H new ATOM 0 HG3 GLU A 3 0.348 -5.554 -4.997 1.00 72.34 H new ATOM 37 N ARG A 4 1.736 -1.246 -6.448 1.00 63.51 N ATOM 38 CA ARG A 4 1.848 0.076 -7.052 1.00 61.43 C ATOM 39 C ARG A 4 3.102 0.793 -6.562 1.00 3.21 C ATOM 40 O ARG A 4 3.359 1.939 -6.931 1.00 13.52 O ATOM 41 CB ARG A 4 0.609 0.913 -6.730 1.00 3.41 C ATOM 42 CG ARG A 4 0.509 2.191 -7.547 1.00 12.33 C ATOM 43 CD ARG A 4 -0.930 2.671 -7.656 1.00 31.11 C ATOM 44 NE ARG A 4 -1.525 2.921 -6.346 1.00 23.45 N ATOM 45 CZ ARG A 4 -2.760 3.377 -6.174 1.00 53.31 C ATOM 46 NH1 ARG A 4 -3.528 3.632 -7.225 1.00 0.34 N1+ ATOM 47 NH2 ARG A 4 -3.230 3.579 -4.950 1.00 14.22 N ATOM 0 H ARG A 4 1.417 -1.241 -5.479 1.00 63.51 H new ATOM 0 HA ARG A 4 1.922 -0.050 -8.132 1.00 61.43 H new ATOM 0 HB2 ARG A 4 -0.282 0.310 -6.904 1.00 3.41 H new ATOM 0 HB3 ARG A 4 0.619 1.169 -5.670 1.00 3.41 H new ATOM 0 HG2 ARG A 4 1.119 2.968 -7.086 1.00 12.33 H new ATOM 0 HG3 ARG A 4 0.913 2.019 -8.545 1.00 12.33 H new ATOM 0 HD2 ARG A 4 -0.963 3.585 -8.249 1.00 31.11 H new ATOM 0 HD3 ARG A 4 -1.522 1.925 -8.186 1.00 31.11 H new ATOM 0 HE ARG A 4 -0.960 2.735 -5.517 1.00 23.45 H new ATOM 0 HH11 ARG A 4 -3.170 3.478 -8.168 1.00 0.34 H new ATOM 0 HH12 ARG A 4 -4.477 3.982 -7.091 1.00 0.34 H new ATOM 0 HH21 ARG A 4 -2.642 3.384 -4.139 1.00 14.22 H new ATOM 0 HH22 ARG A 4 -4.179 3.929 -4.819 1.00 14.22 H new ATOM 61 N PHE A 5 3.880 0.111 -5.728 1.00 62.10 N ATOM 62 CA PHE A 5 5.107 0.683 -5.186 1.00 42.03 C ATOM 63 C PHE A 5 6.321 -0.149 -5.592 1.00 55.41 C ATOM 64 O PHE A 5 7.437 0.364 -5.680 1.00 33.31 O ATOM 65 CB PHE A 5 5.023 0.773 -3.661 1.00 63.31 C ATOM 66 CG PHE A 5 4.395 2.045 -3.169 1.00 42.31 C ATOM 67 CD1 PHE A 5 5.060 2.857 -2.264 1.00 63.04 C ATOM 68 CD2 PHE A 5 3.139 2.429 -3.611 1.00 4.50 C ATOM 69 CE1 PHE A 5 4.485 4.029 -1.810 1.00 24.11 C ATOM 70 CE2 PHE A 5 2.560 3.600 -3.160 1.00 52.44 C ATOM 71 CZ PHE A 5 3.233 4.400 -2.258 1.00 11.42 C ATOM 0 H PHE A 5 3.682 -0.839 -5.413 1.00 62.10 H new ATOM 0 HA PHE A 5 5.223 1.686 -5.596 1.00 42.03 H new ATOM 0 HB2 PHE A 5 4.449 -0.075 -3.286 1.00 63.31 H new ATOM 0 HB3 PHE A 5 6.027 0.688 -3.244 1.00 63.31 H new ATOM 0 HD1 PHE A 5 6.039 2.571 -1.909 1.00 63.04 H new ATOM 0 HD2 PHE A 5 2.607 1.807 -4.315 1.00 4.50 H new ATOM 0 HE1 PHE A 5 5.014 4.654 -1.106 1.00 24.11 H new ATOM 0 HE2 PHE A 5 1.581 3.889 -3.513 1.00 52.44 H new ATOM 0 HZ PHE A 5 2.781 5.314 -1.904 1.00 11.42 H new ATOM 81 N TYR A 6 6.093 -1.434 -5.838 1.00 25.13 N ATOM 82 CA TYR A 6 7.168 -2.339 -6.230 1.00 54.53 C ATOM 83 C TYR A 6 7.206 -2.514 -7.745 1.00 53.24 C ATOM 84 O TYR A 6 8.211 -2.950 -8.306 1.00 34.32 O ATOM 85 CB TYR A 6 6.991 -3.698 -5.553 1.00 31.43 C ATOM 86 CG TYR A 6 6.930 -3.620 -4.044 1.00 13.20 C ATOM 87 CD1 TYR A 6 7.572 -2.598 -3.356 1.00 1.24 C ATOM 88 CD2 TYR A 6 6.231 -4.567 -3.307 1.00 33.52 C ATOM 89 CE1 TYR A 6 7.520 -2.522 -1.977 1.00 74.21 C ATOM 90 CE2 TYR A 6 6.172 -4.499 -1.928 1.00 54.14 C ATOM 91 CZ TYR A 6 6.818 -3.475 -1.268 1.00 52.32 C ATOM 92 OH TYR A 6 6.762 -3.404 0.105 1.00 45.40 O ATOM 0 H TYR A 6 5.174 -1.873 -5.773 1.00 25.13 H new ATOM 0 HA TYR A 6 8.113 -1.901 -5.909 1.00 54.53 H new ATOM 0 HB2 TYR A 6 6.076 -4.162 -5.922 1.00 31.43 H new ATOM 0 HB3 TYR A 6 7.817 -4.348 -5.842 1.00 31.43 H new ATOM 0 HD1 TYR A 6 8.121 -1.850 -3.908 1.00 1.24 H new ATOM 0 HD2 TYR A 6 5.725 -5.371 -3.821 1.00 33.52 H new ATOM 0 HE1 TYR A 6 8.026 -1.722 -1.458 1.00 74.21 H new ATOM 0 HE2 TYR A 6 5.623 -5.244 -1.370 1.00 54.14 H new ATOM 0 HH TYR A 6 6.227 -4.150 0.450 1.00 45.40 H new ATOM 102 N ALA A 7 6.103 -2.169 -8.402 1.00 71.32 N ATOM 103 CA ALA A 7 6.009 -2.286 -9.852 1.00 45.21 C ATOM 104 C ALA A 7 5.792 -0.922 -10.500 1.00 24.34 C ATOM 105 O ALA A 7 6.111 -0.724 -11.671 1.00 65.33 O ATOM 106 CB ALA A 7 4.886 -3.238 -10.234 1.00 30.33 C ATOM 0 H ALA A 7 5.262 -1.806 -7.953 1.00 71.32 H new ATOM 0 HA ALA A 7 6.952 -2.689 -10.221 1.00 45.21 H new ATOM 0 HB1 ALA A 7 4.828 -3.315 -11.320 1.00 30.33 H new ATOM 0 HB2 ALA A 7 5.084 -4.223 -9.810 1.00 30.33 H new ATOM 0 HB3 ALA A 7 3.940 -2.859 -9.846 1.00 30.33 H new ATOM 112 N GLU A 8 5.247 0.014 -9.729 1.00 24.32 N ATOM 113 CA GLU A 8 4.986 1.358 -10.230 1.00 33.21 C ATOM 114 C GLU A 8 6.031 2.343 -9.715 1.00 50.43 C ATOM 115 O GLU A 8 6.095 3.488 -10.164 1.00 11.50 O ATOM 116 CB GLU A 8 3.587 1.818 -9.814 1.00 71.21 C ATOM 117 CG GLU A 8 2.600 1.885 -10.968 1.00 23.03 C ATOM 118 CD GLU A 8 2.141 3.300 -11.261 1.00 42.11 C ATOM 119 OE1 GLU A 8 2.943 4.080 -11.816 1.00 5.43 O ATOM 120 OE2 GLU A 8 0.981 3.627 -10.936 1.00 51.43 O1- ATOM 0 H GLU A 8 4.978 -0.134 -8.756 1.00 24.32 H new ATOM 0 HA GLU A 8 5.043 1.330 -11.318 1.00 33.21 H new ATOM 0 HB2 GLU A 8 3.200 1.137 -9.055 1.00 71.21 H new ATOM 0 HB3 GLU A 8 3.660 2.802 -9.352 1.00 71.21 H new ATOM 0 HG2 GLU A 8 3.062 1.465 -11.861 1.00 23.03 H new ATOM 0 HG3 GLU A 8 1.733 1.266 -10.736 1.00 23.03 H new ATOM 127 N HIS A 9 6.849 1.890 -8.770 1.00 54.13 N ATOM 128 CA HIS A 9 7.891 2.731 -8.193 1.00 42.34 C ATOM 129 C HIS A 9 9.246 2.032 -8.250 1.00 2.43 C ATOM 130 O HIS A 9 10.199 2.448 -7.589 1.00 10.31 O ATOM 131 CB HIS A 9 7.547 3.086 -6.747 1.00 1.54 C ATOM 132 CG HIS A 9 7.751 4.534 -6.421 1.00 31.05 C ATOM 133 ND1 HIS A 9 8.731 4.981 -5.560 1.00 20.23 N ATOM 134 CD2 HIS A 9 7.095 5.638 -6.847 1.00 14.42 C ATOM 135 CE1 HIS A 9 8.668 6.297 -5.469 1.00 53.21 C ATOM 136 NE2 HIS A 9 7.683 6.721 -6.241 1.00 3.10 N ATOM 0 H HIS A 9 6.810 0.945 -8.388 1.00 54.13 H new ATOM 0 HA HIS A 9 7.950 3.648 -8.779 1.00 42.34 H new ATOM 0 HB2 HIS A 9 6.507 2.822 -6.554 1.00 1.54 H new ATOM 0 HB3 HIS A 9 8.159 2.482 -6.078 1.00 1.54 H new ATOM 0 HD2 HIS A 9 6.263 5.663 -7.536 1.00 14.42 H new ATOM 0 HE1 HIS A 9 9.312 6.920 -4.866 1.00 53.21 H new ATOM 0 HE2 HIS A 9 7.405 7.694 -6.366 1.00 3.10 H new ATOM 144 N LEU A 10 9.325 0.969 -9.041 1.00 63.34 N ATOM 145 CA LEU A 10 10.564 0.211 -9.183 1.00 74.40 C ATOM 146 C LEU A 10 10.896 -0.020 -10.654 1.00 12.02 C ATOM 147 O LEU A 10 12.045 0.123 -11.070 1.00 72.14 O ATOM 148 CB LEU A 10 10.449 -1.131 -8.458 1.00 31.32 C ATOM 149 CG LEU A 10 11.749 -1.701 -7.890 1.00 5.42 C ATOM 150 CD1 LEU A 10 12.739 -1.989 -9.008 1.00 30.51 C ATOM 151 CD2 LEU A 10 12.354 -0.741 -6.875 1.00 54.43 C ATOM 0 H LEU A 10 8.546 0.612 -9.594 1.00 63.34 H new ATOM 0 HA LEU A 10 11.370 0.792 -8.735 1.00 74.40 H new ATOM 0 HB2 LEU A 10 9.737 -1.020 -7.640 1.00 31.32 H new ATOM 0 HB3 LEU A 10 10.028 -1.860 -9.150 1.00 31.32 H new ATOM 0 HG LEU A 10 11.521 -2.639 -7.383 1.00 5.42 H new ATOM 0 HD11 LEU A 10 13.658 -2.394 -8.585 1.00 30.51 H new ATOM 0 HD12 LEU A 10 12.307 -2.714 -9.698 1.00 30.51 H new ATOM 0 HD13 LEU A 10 12.962 -1.066 -9.543 1.00 30.51 H new ATOM 0 HD21 LEU A 10 13.279 -1.163 -6.481 1.00 54.43 H new ATOM 0 HD22 LEU A 10 12.567 0.212 -7.358 1.00 54.43 H new ATOM 0 HD23 LEU A 10 11.650 -0.584 -6.058 1.00 54.43 H new ATOM 163 N MET A 11 9.881 -0.375 -11.435 1.00 64.45 N ATOM 164 CA MET A 11 10.066 -0.623 -12.861 1.00 12.02 C ATOM 165 C MET A 11 10.382 0.673 -13.601 1.00 62.31 C ATOM 166 O MET A 11 11.436 0.820 -14.221 1.00 13.21 O ATOM 167 CB MET A 11 8.813 -1.270 -13.454 1.00 71.20 C ATOM 168 CG MET A 11 9.062 -2.650 -14.041 1.00 74.10 C ATOM 169 SD MET A 11 9.058 -3.948 -12.790 1.00 32.23 S ATOM 170 CE MET A 11 10.722 -3.800 -12.143 1.00 73.22 C ATOM 0 H MET A 11 8.923 -0.497 -11.106 1.00 64.45 H new ATOM 0 HA MET A 11 10.909 -1.304 -12.980 1.00 12.02 H new ATOM 0 HB2 MET A 11 8.051 -1.346 -12.678 1.00 71.20 H new ATOM 0 HB3 MET A 11 8.412 -0.620 -14.232 1.00 71.20 H new ATOM 0 HG2 MET A 11 8.297 -2.867 -14.786 1.00 74.10 H new ATOM 0 HG3 MET A 11 10.021 -2.653 -14.559 1.00 74.10 H new ATOM 0 HE1 MET A 11 10.953 -4.672 -11.531 1.00 73.22 H new ATOM 0 HE2 MET A 11 11.430 -3.739 -12.970 1.00 73.22 H new ATOM 0 HE3 MET A 11 10.797 -2.899 -11.534 1.00 73.22 H new ATOM 180 N PRO A 12 9.450 1.635 -13.537 1.00 32.20 N ATOM 181 CA PRO A 12 9.607 2.935 -14.196 1.00 25.14 C ATOM 182 C PRO A 12 10.680 3.794 -13.534 1.00 33.22 C ATOM 183 O PRO A 12 11.043 4.855 -14.043 1.00 74.31 O ATOM 184 CB PRO A 12 8.230 3.583 -14.036 1.00 73.31 C ATOM 185 CG PRO A 12 7.645 2.937 -12.828 1.00 21.24 C ATOM 186 CD PRO A 12 8.170 1.528 -12.816 1.00 62.22 C ATOM 0 HA PRO A 12 9.926 2.830 -15.233 1.00 25.14 H new ATOM 0 HB2 PRO A 12 8.313 4.662 -13.907 1.00 73.31 H new ATOM 0 HB3 PRO A 12 7.608 3.414 -14.915 1.00 73.31 H new ATOM 0 HG2 PRO A 12 7.935 3.469 -11.922 1.00 21.24 H new ATOM 0 HG3 PRO A 12 6.556 2.947 -12.869 1.00 21.24 H new ATOM 0 HD2 PRO A 12 8.311 1.160 -11.800 1.00 62.22 H new ATOM 0 HD3 PRO A 12 7.486 0.840 -13.312 1.00 62.22 H new ATOM 194 N THR A 13 11.185 3.329 -12.395 1.00 73.22 N ATOM 195 CA THR A 13 12.215 4.054 -11.664 1.00 5.43 C ATOM 196 C THR A 13 13.598 3.474 -11.940 1.00 53.13 C ATOM 197 O THR A 13 14.530 4.202 -12.284 1.00 63.53 O ATOM 198 CB THR A 13 11.953 4.025 -10.146 1.00 42.21 C ATOM 199 OG1 THR A 13 10.787 4.796 -9.836 1.00 32.54 O ATOM 200 CG2 THR A 13 13.148 4.573 -9.380 1.00 13.11 C ATOM 0 H THR A 13 10.896 2.453 -11.960 1.00 73.22 H new ATOM 0 HA THR A 13 12.181 5.086 -12.012 1.00 5.43 H new ATOM 0 HB THR A 13 11.794 2.989 -9.846 1.00 42.21 H new ATOM 0 HG1 THR A 13 10.626 4.771 -8.870 1.00 32.54 H new ATOM 0 HG21 THR A 13 12.940 4.543 -8.311 1.00 13.11 H new ATOM 0 HG22 THR A 13 14.028 3.967 -9.596 1.00 13.11 H new ATOM 0 HG23 THR A 13 13.334 5.603 -9.684 1.00 13.11 H new ATOM 208 N LEU A 14 13.724 2.160 -11.789 1.00 14.32 N ATOM 209 CA LEU A 14 14.993 1.481 -12.025 1.00 0.25 C ATOM 210 C LEU A 14 15.199 1.213 -13.512 1.00 20.11 C ATOM 211 O LEU A 14 16.331 1.091 -13.979 1.00 21.44 O ATOM 212 CB LEU A 14 15.043 0.166 -11.246 1.00 35.43 C ATOM 213 CG LEU A 14 16.365 -0.150 -10.545 1.00 75.53 C ATOM 214 CD1 LEU A 14 16.241 0.072 -9.046 1.00 51.40 C ATOM 215 CD2 LEU A 14 16.796 -1.580 -10.840 1.00 51.32 C ATOM 0 H LEU A 14 12.963 1.544 -11.504 1.00 14.32 H new ATOM 0 HA LEU A 14 15.795 2.132 -11.678 1.00 0.25 H new ATOM 0 HB2 LEU A 14 14.252 0.181 -10.496 1.00 35.43 H new ATOM 0 HB3 LEU A 14 14.816 -0.649 -11.933 1.00 35.43 H new ATOM 0 HG LEU A 14 17.129 0.526 -10.930 1.00 75.53 H new ATOM 0 HD11 LEU A 14 17.191 -0.158 -8.564 1.00 51.40 H new ATOM 0 HD12 LEU A 14 15.978 1.112 -8.853 1.00 51.40 H new ATOM 0 HD13 LEU A 14 15.464 -0.579 -8.645 1.00 51.40 H new ATOM 0 HD21 LEU A 14 17.738 -1.788 -10.333 1.00 51.32 H new ATOM 0 HD22 LEU A 14 16.032 -2.271 -10.483 1.00 51.32 H new ATOM 0 HD23 LEU A 14 16.926 -1.706 -11.915 1.00 51.32 H new ATOM 227 N GLN A 15 14.097 1.125 -14.250 1.00 64.22 N ATOM 228 CA GLN A 15 14.158 0.873 -15.685 1.00 61.01 C ATOM 229 C GLN A 15 13.317 1.888 -16.452 1.00 70.00 C ATOM 230 O GLN A 15 12.590 1.533 -17.379 1.00 43.11 O ATOM 231 CB GLN A 15 13.677 -0.545 -15.996 1.00 74.22 C ATOM 232 CG GLN A 15 14.594 -1.631 -15.457 1.00 73.11 C ATOM 233 CD GLN A 15 13.935 -2.469 -14.379 1.00 60.43 C ATOM 234 OE1 GLN A 15 14.027 -3.697 -14.389 1.00 21.23 O ATOM 235 NE2 GLN A 15 13.265 -1.809 -13.442 1.00 62.00 N ATOM 0 H GLN A 15 13.152 1.224 -13.878 1.00 64.22 H new ATOM 0 HA GLN A 15 15.196 0.975 -16.003 1.00 61.01 H new ATOM 0 HB2 GLN A 15 12.680 -0.682 -15.577 1.00 74.22 H new ATOM 0 HB3 GLN A 15 13.587 -0.660 -17.076 1.00 74.22 H new ATOM 0 HG2 GLN A 15 14.904 -2.279 -16.277 1.00 73.11 H new ATOM 0 HG3 GLN A 15 15.497 -1.172 -15.054 1.00 73.11 H new ATOM 0 HE21 GLN A 15 13.215 -0.791 -13.473 1.00 62.00 H new ATOM 0 HE22 GLN A 15 12.801 -2.320 -12.691 1.00 62.00 H new ATOM 244 N GLY A 16 13.421 3.154 -16.058 1.00 73.21 N ATOM 245 CA GLY A 16 12.662 4.200 -16.718 1.00 3.52 C ATOM 246 C GLY A 16 13.197 5.585 -16.411 1.00 44.23 C ATOM 247 O GLY A 16 13.176 6.471 -17.267 1.00 72.22 O ATOM 0 H GLY A 16 14.017 3.473 -15.294 1.00 73.21 H new ATOM 0 HA2 GLY A 16 12.684 4.036 -17.795 1.00 3.52 H new ATOM 0 HA3 GLY A 16 11.619 4.139 -16.407 1.00 3.52 H new ATOM 251 N LEU A 17 13.678 5.774 -15.187 1.00 54.53 N ATOM 252 CA LEU A 17 14.220 7.063 -14.769 1.00 35.42 C ATOM 253 C LEU A 17 15.678 7.204 -15.193 1.00 72.33 C ATOM 254 O LEU A 17 16.305 8.239 -14.964 1.00 30.20 O ATOM 255 CB LEU A 17 14.101 7.220 -13.252 1.00 34.42 C ATOM 256 CG LEU A 17 13.163 8.324 -12.763 1.00 3.23 C ATOM 257 CD1 LEU A 17 11.711 7.915 -12.952 1.00 30.51 C ATOM 258 CD2 LEU A 17 13.441 8.652 -11.303 1.00 21.11 C ATOM 0 H LEU A 17 13.704 5.052 -14.467 1.00 54.53 H new ATOM 0 HA LEU A 17 13.642 7.848 -15.256 1.00 35.42 H new ATOM 0 HB2 LEU A 17 13.763 6.272 -12.834 1.00 34.42 H new ATOM 0 HB3 LEU A 17 15.095 7.410 -12.847 1.00 34.42 H new ATOM 0 HG LEU A 17 13.346 9.219 -13.357 1.00 3.23 H new ATOM 0 HD11 LEU A 17 11.059 8.714 -12.598 1.00 30.51 H new ATOM 0 HD12 LEU A 17 11.519 7.732 -14.009 1.00 30.51 H new ATOM 0 HD13 LEU A 17 11.512 7.006 -12.384 1.00 30.51 H new ATOM 0 HD21 LEU A 17 12.764 9.440 -10.972 1.00 21.11 H new ATOM 0 HD22 LEU A 17 13.287 7.761 -10.694 1.00 21.11 H new ATOM 0 HD23 LEU A 17 14.472 8.990 -11.196 1.00 21.11 H new ATOM 270 N LEU A 18 16.211 6.158 -15.815 1.00 23.01 N ATOM 271 CA LEU A 18 17.596 6.166 -16.274 1.00 71.43 C ATOM 272 C LEU A 18 17.807 5.139 -17.383 1.00 5.33 C ATOM 273 O LEU A 18 18.922 4.661 -17.595 1.00 51.33 O ATOM 274 CB LEU A 18 18.542 5.876 -15.108 1.00 44.00 C ATOM 275 CG LEU A 18 17.948 5.087 -13.941 1.00 72.11 C ATOM 276 CD1 LEU A 18 17.522 3.700 -14.397 1.00 21.35 C ATOM 277 CD2 LEU A 18 18.947 4.991 -12.798 1.00 3.44 C ATOM 0 H LEU A 18 15.706 5.294 -16.013 1.00 23.01 H new ATOM 0 HA LEU A 18 17.815 7.156 -16.674 1.00 71.43 H new ATOM 0 HB2 LEU A 18 19.401 5.326 -15.492 1.00 44.00 H new ATOM 0 HB3 LEU A 18 18.916 6.826 -14.725 1.00 44.00 H new ATOM 0 HG LEU A 18 17.066 5.616 -13.582 1.00 72.11 H new ATOM 0 HD11 LEU A 18 17.102 3.153 -13.553 1.00 21.35 H new ATOM 0 HD12 LEU A 18 16.771 3.790 -15.182 1.00 21.35 H new ATOM 0 HD13 LEU A 18 18.388 3.162 -14.783 1.00 21.35 H new ATOM 0 HD21 LEU A 18 18.507 4.426 -11.976 1.00 3.44 H new ATOM 0 HD22 LEU A 18 19.848 4.485 -13.144 1.00 3.44 H new ATOM 0 HD23 LEU A 18 19.203 5.993 -12.453 1.00 3.44 H new ATOM 289 N ASP A 19 16.731 4.807 -18.087 1.00 64.31 N ATOM 290 CA ASP A 19 16.800 3.840 -19.177 1.00 14.21 C ATOM 291 C ASP A 19 17.307 4.498 -20.456 1.00 50.42 C ATOM 292 O ASP A 19 17.087 5.684 -20.703 1.00 12.44 O ATOM 293 CB ASP A 19 15.425 3.216 -19.420 1.00 54.25 C ATOM 294 CG ASP A 19 15.315 1.815 -18.851 1.00 44.41 C ATOM 295 OD1 ASP A 19 16.161 1.450 -18.007 1.00 15.11 O ATOM 296 OD2 ASP A 19 14.384 1.085 -19.249 1.00 24.41 O1- ATOM 0 H ASP A 19 15.801 5.193 -17.923 1.00 64.31 H new ATOM 0 HA ASP A 19 17.501 3.056 -18.891 1.00 14.21 H new ATOM 0 HB2 ASP A 19 14.658 3.848 -18.972 1.00 54.25 H new ATOM 0 HB3 ASP A 19 15.227 3.186 -20.491 1.00 54.25 H new ATOM 301 N PRO A 20 18.004 3.713 -21.290 1.00 71.52 N ATOM 302 CA PRO A 20 18.558 4.198 -22.558 1.00 33.22 C ATOM 303 C PRO A 20 17.474 4.496 -23.588 1.00 14.13 C ATOM 304 O PRO A 20 17.757 5.015 -24.667 1.00 14.43 O ATOM 305 CB PRO A 20 19.437 3.037 -23.028 1.00 64.22 C ATOM 306 CG PRO A 20 18.847 1.830 -22.385 1.00 71.53 C ATOM 307 CD PRO A 20 18.304 2.289 -21.060 1.00 44.44 C ATOM 0 HA PRO A 20 19.098 5.137 -22.434 1.00 33.22 H new ATOM 0 HB2 PRO A 20 19.430 2.950 -24.114 1.00 64.22 H new ATOM 0 HB3 PRO A 20 20.475 3.179 -22.726 1.00 64.22 H new ATOM 0 HG2 PRO A 20 18.057 1.405 -23.004 1.00 71.53 H new ATOM 0 HG3 PRO A 20 19.599 1.053 -22.250 1.00 71.53 H new ATOM 0 HD2 PRO A 20 17.412 1.731 -20.776 1.00 44.44 H new ATOM 0 HD3 PRO A 20 19.032 2.156 -20.259 1.00 44.44 H new ATOM 315 N GLU A 21 16.232 4.164 -23.247 1.00 2.44 N ATOM 316 CA GLU A 21 15.106 4.399 -24.143 1.00 20.33 C ATOM 317 C GLU A 21 14.018 5.212 -23.448 1.00 40.40 C ATOM 318 O GLU A 21 13.236 5.906 -24.098 1.00 71.22 O ATOM 319 CB GLU A 21 14.529 3.068 -24.632 1.00 5.43 C ATOM 320 CG GLU A 21 14.371 2.032 -23.531 1.00 41.55 C ATOM 321 CD GLU A 21 13.905 0.689 -24.058 1.00 24.21 C ATOM 322 OE1 GLU A 21 14.622 0.099 -24.893 1.00 65.31 O ATOM 323 OE2 GLU A 21 12.825 0.228 -23.635 1.00 73.45 O1- ATOM 0 H GLU A 21 15.981 3.732 -22.358 1.00 2.44 H new ATOM 0 HA GLU A 21 15.469 4.967 -25.000 1.00 20.33 H new ATOM 0 HB2 GLU A 21 13.557 3.250 -25.091 1.00 5.43 H new ATOM 0 HB3 GLU A 21 15.178 2.664 -25.409 1.00 5.43 H new ATOM 0 HG2 GLU A 21 15.324 1.906 -23.016 1.00 41.55 H new ATOM 0 HG3 GLU A 21 13.656 2.397 -22.793 1.00 41.55 H new ATOM 330 N SER A 22 13.975 5.122 -22.123 1.00 33.44 N ATOM 331 CA SER A 22 12.980 5.845 -21.339 1.00 2.10 C ATOM 332 C SER A 22 13.554 7.156 -20.809 1.00 64.44 C ATOM 333 O SER A 22 12.896 8.194 -20.847 1.00 13.45 O ATOM 334 CB SER A 22 12.491 4.982 -20.174 1.00 62.14 C ATOM 335 OG SER A 22 11.132 4.620 -20.343 1.00 54.24 O ATOM 0 H SER A 22 14.618 4.556 -21.569 1.00 33.44 H new ATOM 0 HA SER A 22 12.137 6.074 -21.991 1.00 2.10 H new ATOM 0 HB2 SER A 22 13.104 4.083 -20.101 1.00 62.14 H new ATOM 0 HB3 SER A 22 12.612 5.527 -19.238 1.00 62.14 H new ATOM 0 HG SER A 22 10.844 4.068 -19.586 1.00 54.24 H new ATOM 341 N ALA A 23 14.787 7.098 -20.317 1.00 22.14 N ATOM 342 CA ALA A 23 15.452 8.279 -19.780 1.00 54.10 C ATOM 343 C ALA A 23 16.095 9.100 -20.893 1.00 12.15 C ATOM 344 O ALA A 23 16.219 10.320 -20.785 1.00 5.53 O ATOM 345 CB ALA A 23 16.495 7.875 -18.749 1.00 12.22 C ATOM 0 H ALA A 23 15.346 6.246 -20.279 1.00 22.14 H new ATOM 0 HA ALA A 23 14.699 8.900 -19.294 1.00 54.10 H new ATOM 0 HB1 ALA A 23 16.983 8.767 -18.357 1.00 12.22 H new ATOM 0 HB2 ALA A 23 16.011 7.338 -17.933 1.00 12.22 H new ATOM 0 HB3 ALA A 23 17.239 7.230 -19.217 1.00 12.22 H new ATOM 351 N HIS A 24 16.503 8.423 -21.961 1.00 72.02 N ATOM 352 CA HIS A 24 17.135 9.090 -23.094 1.00 14.41 C ATOM 353 C HIS A 24 16.115 9.910 -23.879 1.00 2.41 C ATOM 354 O HIS A 24 16.433 10.981 -24.398 1.00 34.30 O ATOM 355 CB HIS A 24 17.797 8.064 -24.013 1.00 23.10 C ATOM 356 CG HIS A 24 17.571 8.330 -25.469 1.00 61.24 C ATOM 357 ND1 HIS A 24 18.431 9.084 -26.239 1.00 40.32 N ATOM 358 CD2 HIS A 24 16.575 7.935 -26.297 1.00 44.22 C ATOM 359 CE1 HIS A 24 17.973 9.144 -27.477 1.00 23.10 C ATOM 360 NE2 HIS A 24 16.848 8.454 -27.539 1.00 5.21 N ATOM 0 H HIS A 24 16.407 7.413 -22.066 1.00 72.02 H new ATOM 0 HA HIS A 24 17.898 9.765 -22.707 1.00 14.41 H new ATOM 0 HB2 HIS A 24 18.869 8.051 -23.817 1.00 23.10 H new ATOM 0 HB3 HIS A 24 17.416 7.072 -23.770 1.00 23.10 H new ATOM 0 HD2 HIS A 24 15.724 7.325 -26.030 1.00 44.22 H new ATOM 0 HE1 HIS A 24 18.439 9.668 -28.298 1.00 23.10 H new ATOM 0 HE2 HIS A 24 16.275 8.327 -28.374 1.00 5.21 H new ATOM 368 N ARG A 25 14.891 9.401 -23.962 1.00 34.31 N ATOM 369 CA ARG A 25 13.826 10.085 -24.685 1.00 72.25 C ATOM 370 C ARG A 25 13.312 11.283 -23.892 1.00 44.15 C ATOM 371 O ARG A 25 13.023 12.338 -24.459 1.00 12.03 O ATOM 372 CB ARG A 25 12.675 9.120 -24.974 1.00 74.41 C ATOM 373 CG ARG A 25 12.058 8.516 -23.723 1.00 71.30 C ATOM 374 CD ARG A 25 10.901 7.589 -24.064 1.00 11.44 C ATOM 375 NE ARG A 25 9.618 8.288 -24.049 1.00 63.40 N ATOM 376 CZ ARG A 25 8.445 7.671 -24.133 1.00 32.25 C ATOM 377 NH1 ARG A 25 8.392 6.350 -24.236 1.00 23.05 N1+ ATOM 378 NH2 ARG A 25 7.321 8.375 -24.112 1.00 54.45 N ATOM 0 H ARG A 25 14.612 8.517 -23.537 1.00 34.31 H new ATOM 0 HA ARG A 25 14.236 10.445 -25.629 1.00 72.25 H new ATOM 0 HB2 ARG A 25 11.901 9.647 -25.532 1.00 74.41 H new ATOM 0 HB3 ARG A 25 13.038 8.316 -25.614 1.00 74.41 H new ATOM 0 HG2 ARG A 25 12.818 7.963 -23.172 1.00 71.30 H new ATOM 0 HG3 ARG A 25 11.706 9.313 -23.068 1.00 71.30 H new ATOM 0 HD2 ARG A 25 11.065 7.152 -25.049 1.00 11.44 H new ATOM 0 HD3 ARG A 25 10.874 6.765 -23.351 1.00 11.44 H new ATOM 0 HE ARG A 25 9.624 9.305 -23.970 1.00 63.40 H new ATOM 0 HH11 ARG A 25 9.254 5.805 -24.251 1.00 23.05 H new ATOM 0 HH12 ARG A 25 7.489 5.879 -24.300 1.00 23.05 H new ATOM 0 HH21 ARG A 25 7.357 9.391 -24.031 1.00 54.45 H new ATOM 0 HH22 ARG A 25 6.421 7.900 -24.177 1.00 54.45 H new ATOM 392 N LEU A 26 13.201 11.113 -22.580 1.00 5.44 N ATOM 393 CA LEU A 26 12.723 12.181 -21.708 1.00 24.12 C ATOM 394 C LEU A 26 13.814 13.221 -21.472 1.00 21.45 C ATOM 395 O LEU A 26 13.530 14.362 -21.110 1.00 34.12 O ATOM 396 CB LEU A 26 12.255 11.603 -20.371 1.00 3.20 C ATOM 397 CG LEU A 26 10.831 11.963 -19.946 1.00 61.13 C ATOM 398 CD1 LEU A 26 10.451 11.224 -18.672 1.00 44.41 C ATOM 399 CD2 LEU A 26 10.695 13.466 -19.754 1.00 44.31 C ATOM 0 H LEU A 26 13.435 10.246 -22.096 1.00 5.44 H new ATOM 0 HA LEU A 26 11.882 12.670 -22.200 1.00 24.12 H new ATOM 0 HB2 LEU A 26 12.335 10.517 -20.420 1.00 3.20 H new ATOM 0 HB3 LEU A 26 12.941 11.938 -19.593 1.00 3.20 H new ATOM 0 HG LEU A 26 10.148 11.655 -20.738 1.00 61.13 H new ATOM 0 HD11 LEU A 26 9.434 11.493 -18.385 1.00 44.41 H new ATOM 0 HD12 LEU A 26 10.507 10.149 -18.844 1.00 44.41 H new ATOM 0 HD13 LEU A 26 11.139 11.500 -17.873 1.00 44.41 H new ATOM 0 HD21 LEU A 26 9.675 13.703 -19.452 1.00 44.31 H new ATOM 0 HD22 LEU A 26 11.389 13.798 -18.982 1.00 44.31 H new ATOM 0 HD23 LEU A 26 10.923 13.975 -20.691 1.00 44.31 H new ATOM 411 N ALA A 27 15.063 12.818 -21.681 1.00 4.05 N ATOM 412 CA ALA A 27 16.197 13.716 -21.494 1.00 75.31 C ATOM 413 C ALA A 27 16.552 14.428 -22.795 1.00 11.44 C ATOM 414 O ALA A 27 16.712 15.649 -22.822 1.00 30.22 O ATOM 415 CB ALA A 27 17.398 12.946 -20.966 1.00 42.23 C ATOM 0 H ALA A 27 15.316 11.876 -21.980 1.00 4.05 H new ATOM 0 HA ALA A 27 15.914 14.472 -20.762 1.00 75.31 H new ATOM 0 HB1 ALA A 27 18.237 13.628 -20.831 1.00 42.23 H new ATOM 0 HB2 ALA A 27 17.145 12.488 -20.010 1.00 42.23 H new ATOM 0 HB3 ALA A 27 17.674 12.169 -21.679 1.00 42.23 H new ATOM 421 N VAL A 28 16.675 13.659 -23.871 1.00 72.24 N ATOM 422 CA VAL A 28 17.013 14.217 -25.175 1.00 73.23 C ATOM 423 C VAL A 28 16.107 15.393 -25.521 1.00 74.04 C ATOM 424 O VAL A 28 16.510 16.311 -26.236 1.00 74.21 O ATOM 425 CB VAL A 28 16.904 13.155 -26.286 1.00 34.24 C ATOM 426 CG1 VAL A 28 15.454 12.739 -26.486 1.00 63.03 C ATOM 427 CG2 VAL A 28 17.501 13.678 -27.583 1.00 64.30 C ATOM 0 H VAL A 28 16.546 12.647 -23.866 1.00 72.24 H new ATOM 0 HA VAL A 28 18.045 14.563 -25.113 1.00 73.23 H new ATOM 0 HB VAL A 28 17.471 12.275 -25.981 1.00 34.24 H new ATOM 0 HG11 VAL A 28 15.396 11.989 -27.274 1.00 63.03 H new ATOM 0 HG12 VAL A 28 15.064 12.321 -25.558 1.00 63.03 H new ATOM 0 HG13 VAL A 28 14.862 13.609 -26.769 1.00 63.03 H new ATOM 0 HG21 VAL A 28 17.415 12.915 -28.357 1.00 64.30 H new ATOM 0 HG22 VAL A 28 16.964 14.574 -27.896 1.00 64.30 H new ATOM 0 HG23 VAL A 28 18.552 13.921 -27.428 1.00 64.30 H new ATOM 437 N ARG A 29 14.881 15.359 -25.009 1.00 52.12 N ATOM 438 CA ARG A 29 13.916 16.422 -25.266 1.00 20.34 C ATOM 439 C ARG A 29 14.245 17.665 -24.444 1.00 61.30 C ATOM 440 O ARG A 29 14.171 18.788 -24.942 1.00 2.30 O ATOM 441 CB ARG A 29 12.500 15.943 -24.941 1.00 52.00 C ATOM 442 CG ARG A 29 12.337 15.445 -23.514 1.00 63.54 C ATOM 443 CD ARG A 29 10.942 14.889 -23.274 1.00 25.40 C ATOM 444 NE ARG A 29 9.924 15.935 -23.302 1.00 71.21 N ATOM 445 CZ ARG A 29 8.700 15.782 -22.809 1.00 52.23 C ATOM 446 NH1 ARG A 29 8.344 14.633 -22.253 1.00 23.52 N1+ ATOM 447 NH2 ARG A 29 7.829 16.781 -22.872 1.00 53.11 N ATOM 0 H ARG A 29 14.532 14.607 -24.414 1.00 52.12 H new ATOM 0 HA ARG A 29 13.971 16.681 -26.323 1.00 20.34 H new ATOM 0 HB2 ARG A 29 11.801 16.761 -25.113 1.00 52.00 H new ATOM 0 HB3 ARG A 29 12.230 15.142 -25.629 1.00 52.00 H new ATOM 0 HG2 ARG A 29 13.078 14.672 -23.310 1.00 63.54 H new ATOM 0 HG3 ARG A 29 12.529 16.262 -22.818 1.00 63.54 H new ATOM 0 HD2 ARG A 29 10.714 14.141 -24.033 1.00 25.40 H new ATOM 0 HD3 ARG A 29 10.915 14.382 -22.309 1.00 25.40 H new ATOM 0 HE ARG A 29 10.166 16.832 -23.723 1.00 71.21 H new ATOM 0 HH11 ARG A 29 9.011 13.863 -22.203 1.00 23.52 H new ATOM 0 HH12 ARG A 29 7.403 14.519 -21.875 1.00 23.52 H new ATOM 0 HH21 ARG A 29 8.099 17.667 -23.299 1.00 53.11 H new ATOM 0 HH22 ARG A 29 6.889 16.663 -22.493 1.00 53.11 H new ATOM 461 N PHE A 30 14.608 17.455 -23.183 1.00 0.10 N ATOM 462 CA PHE A 30 14.947 18.558 -22.292 1.00 4.33 C ATOM 463 C PHE A 30 16.340 19.099 -22.601 1.00 63.14 C ATOM 464 O PHE A 30 16.708 20.190 -22.164 1.00 55.10 O ATOM 465 CB PHE A 30 14.878 18.103 -20.833 1.00 15.04 C ATOM 466 CG PHE A 30 13.517 17.618 -20.421 1.00 21.15 C ATOM 467 CD1 PHE A 30 13.380 16.659 -19.430 1.00 14.34 C ATOM 468 CD2 PHE A 30 12.376 18.120 -21.025 1.00 13.04 C ATOM 469 CE1 PHE A 30 12.129 16.211 -19.048 1.00 21.13 C ATOM 470 CE2 PHE A 30 11.123 17.676 -20.647 1.00 33.23 C ATOM 471 CZ PHE A 30 10.999 16.719 -19.658 1.00 3.20 C ATOM 0 H PHE A 30 14.675 16.531 -22.755 1.00 0.10 H new ATOM 0 HA PHE A 30 14.222 19.356 -22.452 1.00 4.33 H new ATOM 0 HB2 PHE A 30 15.603 17.305 -20.675 1.00 15.04 H new ATOM 0 HB3 PHE A 30 15.171 18.931 -20.188 1.00 15.04 H new ATOM 0 HD1 PHE A 30 14.260 16.257 -18.951 1.00 14.34 H new ATOM 0 HD2 PHE A 30 12.467 18.867 -21.800 1.00 13.04 H new ATOM 0 HE1 PHE A 30 12.036 15.464 -18.273 1.00 21.13 H new ATOM 0 HE2 PHE A 30 10.241 18.077 -21.124 1.00 33.23 H new ATOM 0 HZ PHE A 30 10.021 16.369 -19.363 1.00 3.20 H new ATOM 481 N THR A 31 17.113 18.327 -23.359 1.00 24.10 N ATOM 482 CA THR A 31 18.466 18.726 -23.726 1.00 62.23 C ATOM 483 C THR A 31 18.461 20.037 -24.504 1.00 32.02 C ATOM 484 O THR A 31 19.156 20.987 -24.143 1.00 33.34 O ATOM 485 CB THR A 31 19.161 17.643 -24.573 1.00 72.22 C ATOM 486 OG1 THR A 31 19.034 16.367 -23.936 1.00 24.30 O ATOM 487 CG2 THR A 31 20.632 17.973 -24.772 1.00 65.50 C ATOM 0 H THR A 31 16.825 17.422 -23.731 1.00 24.10 H new ATOM 0 HA THR A 31 19.019 18.860 -22.796 1.00 62.23 H new ATOM 0 HB THR A 31 18.678 17.610 -25.549 1.00 72.22 H new ATOM 0 HG1 THR A 31 18.271 16.383 -23.321 1.00 24.30 H new ATOM 0 HG21 THR A 31 21.102 17.194 -25.373 1.00 65.50 H new ATOM 0 HG22 THR A 31 20.724 18.931 -25.284 1.00 65.50 H new ATOM 0 HG23 THR A 31 21.126 18.031 -23.802 1.00 65.50 H new ATOM 495 N SER A 32 17.672 20.083 -25.573 1.00 20.44 N ATOM 496 CA SER A 32 17.578 21.278 -26.403 1.00 32.14 C ATOM 497 C SER A 32 16.203 21.926 -26.267 1.00 43.14 C ATOM 498 O SER A 32 16.058 23.140 -26.421 1.00 63.41 O ATOM 499 CB SER A 32 17.848 20.930 -27.868 1.00 22.24 C ATOM 500 OG SER A 32 18.777 21.832 -28.443 1.00 42.01 O ATOM 0 H SER A 32 17.089 19.306 -25.884 1.00 20.44 H new ATOM 0 HA SER A 32 18.331 21.988 -26.062 1.00 32.14 H new ATOM 0 HB2 SER A 32 18.233 19.913 -27.938 1.00 22.24 H new ATOM 0 HB3 SER A 32 16.914 20.957 -28.430 1.00 22.24 H new ATOM 0 HG SER A 32 18.934 21.587 -29.379 1.00 42.01 H new ATOM 506 N LEU A 33 15.197 21.109 -25.979 1.00 73.31 N ATOM 507 CA LEU A 33 13.832 21.601 -25.822 1.00 63.24 C ATOM 508 C LEU A 33 13.326 22.225 -27.119 1.00 4.12 C ATOM 509 O LEU A 33 12.328 22.945 -27.125 1.00 64.43 O ATOM 510 CB LEU A 33 13.766 22.626 -24.689 1.00 50.23 C ATOM 511 CG LEU A 33 14.743 22.413 -23.533 1.00 23.22 C ATOM 512 CD1 LEU A 33 15.854 23.451 -23.574 1.00 14.24 C ATOM 513 CD2 LEU A 33 14.011 22.464 -22.200 1.00 23.14 C ATOM 0 H LEU A 33 15.300 20.103 -25.849 1.00 73.31 H new ATOM 0 HA LEU A 33 13.192 20.754 -25.575 1.00 63.24 H new ATOM 0 HB2 LEU A 33 13.943 23.615 -25.110 1.00 50.23 H new ATOM 0 HB3 LEU A 33 12.753 22.628 -24.286 1.00 50.23 H new ATOM 0 HG LEU A 33 15.193 21.426 -23.640 1.00 23.22 H new ATOM 0 HD11 LEU A 33 16.540 23.283 -22.743 1.00 14.24 H new ATOM 0 HD12 LEU A 33 16.397 23.366 -24.515 1.00 14.24 H new ATOM 0 HD13 LEU A 33 15.423 24.449 -23.493 1.00 14.24 H new ATOM 0 HD21 LEU A 33 14.722 22.310 -21.388 1.00 23.14 H new ATOM 0 HD22 LEU A 33 13.533 23.437 -22.084 1.00 23.14 H new ATOM 0 HD23 LEU A 33 13.253 21.681 -22.171 1.00 23.14 H new ATOM 525 N GLY A 34 14.021 21.943 -28.217 1.00 25.34 N ATOM 526 CA GLY A 34 13.626 22.482 -29.504 1.00 73.15 C ATOM 527 C GLY A 34 12.245 22.021 -29.926 1.00 53.04 C ATOM 528 O GLY A 34 11.907 22.052 -31.110 1.00 25.02 O ATOM 0 H GLY A 34 14.851 21.350 -28.237 1.00 25.34 H new ATOM 0 HA2 GLY A 34 13.644 23.571 -29.460 1.00 73.15 H new ATOM 0 HA3 GLY A 34 14.353 22.181 -30.259 1.00 73.15 H new HETATM 532 N NH2 A 35 11.455 21.612 -29.078 1.00 0.00 N TER 535 NH2 A 35