USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=7 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= -0.297 F(o=-2.4,f=-0.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 137:sc= 0.00874 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.089) 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 :FLIP no HD1:sc= -0.487 F(o=-1.7,f=-0.49) USER MOD Single : A 31 THR OG1 : rot 76:sc= 1.13 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.349 0.416 -0.007 1.00 30.15 N ATOM 2 CA GLY A 1 2.116 0.437 -1.238 1.00 51.34 C ATOM 3 C GLY A 1 2.836 -0.871 -1.496 1.00 32.51 C ATOM 4 O GLY A 1 3.805 -1.200 -0.812 1.00 3.53 O ATOM 0 H1 GLY A 1 0.876 1.333 0.123 1.00 30.15 H new ATOM 0 H2 GLY A 1 0.634 -0.338 -0.056 1.00 30.15 H new ATOM 0 H3 GLY A 1 1.986 0.238 0.796 1.00 30.15 H new ATOM 0 HA2 GLY A 1 1.450 0.652 -2.074 1.00 51.34 H new ATOM 0 HA3 GLY A 1 2.845 1.247 -1.194 1.00 51.34 H new ATOM 10 N ASP A 2 2.360 -1.622 -2.484 1.00 5.23 N ATOM 11 CA ASP A 2 2.966 -2.903 -2.830 1.00 54.42 C ATOM 12 C ASP A 2 3.036 -3.078 -4.344 1.00 23.41 C ATOM 13 O ASP A 2 4.117 -3.050 -4.931 1.00 41.43 O ATOM 14 CB ASP A 2 2.171 -4.051 -2.207 1.00 72.55 C ATOM 15 CG ASP A 2 2.386 -4.160 -0.711 1.00 2.13 C ATOM 16 OD1 ASP A 2 1.439 -4.561 -0.002 1.00 61.42 O ATOM 17 OD2 ASP A 2 3.502 -3.844 -0.248 1.00 20.21 O1- ATOM 0 H ASP A 2 1.557 -1.366 -3.059 1.00 5.23 H new ATOM 0 HA ASP A 2 3.981 -2.917 -2.433 1.00 54.42 H new ATOM 0 HB2 ASP A 2 1.110 -3.905 -2.409 1.00 72.55 H new ATOM 0 HB3 ASP A 2 2.460 -4.989 -2.682 1.00 72.55 H new ATOM 22 N GLU A 3 1.877 -3.261 -4.968 1.00 71.52 N ATOM 23 CA GLU A 3 1.809 -3.444 -6.413 1.00 72.33 C ATOM 24 C GLU A 3 1.996 -2.115 -7.139 1.00 65.23 C ATOM 25 O GLU A 3 2.393 -2.083 -8.304 1.00 44.22 O ATOM 26 CB GLU A 3 0.469 -4.069 -6.808 1.00 51.21 C ATOM 27 CG GLU A 3 0.136 -5.335 -6.036 1.00 44.32 C ATOM 28 CD GLU A 3 -1.198 -5.931 -6.440 1.00 41.13 C ATOM 29 OE1 GLU A 3 -1.214 -6.785 -7.352 1.00 2.23 O ATOM 30 OE2 GLU A 3 -2.226 -5.544 -5.846 1.00 43.02 O1- ATOM 0 H GLU A 3 0.973 -3.286 -4.496 1.00 71.52 H new ATOM 0 HA GLU A 3 2.616 -4.116 -6.707 1.00 72.33 H new ATOM 0 HB2 GLU A 3 -0.324 -3.338 -6.650 1.00 51.21 H new ATOM 0 HB3 GLU A 3 0.484 -4.297 -7.874 1.00 51.21 H new ATOM 0 HG2 GLU A 3 0.923 -6.072 -6.197 1.00 44.32 H new ATOM 0 HG3 GLU A 3 0.122 -5.112 -4.969 1.00 44.32 H new ATOM 37 N ARG A 4 1.708 -1.021 -6.442 1.00 74.13 N ATOM 38 CA ARG A 4 1.844 0.311 -7.020 1.00 33.33 C ATOM 39 C ARG A 4 3.099 1.004 -6.497 1.00 53.04 C ATOM 40 O ARG A 4 3.374 2.154 -6.840 1.00 54.14 O ATOM 41 CB ARG A 4 0.610 1.157 -6.700 1.00 21.10 C ATOM 42 CG ARG A 4 0.221 1.135 -5.231 1.00 15.00 C ATOM 43 CD ARG A 4 -1.106 0.423 -5.017 1.00 22.41 C ATOM 44 NE ARG A 4 -2.205 1.094 -5.706 1.00 21.32 N ATOM 45 CZ ARG A 4 -3.458 0.652 -5.695 1.00 43.21 C ATOM 46 NH1 ARG A 4 -3.769 -0.454 -5.034 1.00 65.30 N1+ ATOM 47 NH2 ARG A 4 -4.403 1.318 -6.346 1.00 42.31 N ATOM 0 H ARG A 4 1.379 -1.030 -5.477 1.00 74.13 H new ATOM 0 HA ARG A 4 1.932 0.204 -8.101 1.00 33.33 H new ATOM 0 HB2 ARG A 4 0.798 2.187 -7.002 1.00 21.10 H new ATOM 0 HB3 ARG A 4 -0.230 0.799 -7.295 1.00 21.10 H new ATOM 0 HG2 ARG A 4 1.000 0.636 -4.655 1.00 15.00 H new ATOM 0 HG3 ARG A 4 0.152 2.156 -4.856 1.00 15.00 H new ATOM 0 HD2 ARG A 4 -1.028 -0.604 -5.374 1.00 22.41 H new ATOM 0 HD3 ARG A 4 -1.323 0.374 -3.950 1.00 22.41 H new ATOM 0 HE ARG A 4 -2.000 1.948 -6.224 1.00 21.32 H new ATOM 0 HH11 ARG A 4 -3.045 -0.968 -4.532 1.00 65.30 H new ATOM 0 HH12 ARG A 4 -4.732 -0.791 -5.028 1.00 65.30 H new ATOM 0 HH21 ARG A 4 -4.168 2.170 -6.855 1.00 42.31 H new ATOM 0 HH22 ARG A 4 -5.365 0.978 -6.337 1.00 42.31 H new ATOM 61 N PHE A 5 3.856 0.297 -5.666 1.00 23.15 N ATOM 62 CA PHE A 5 5.082 0.844 -5.095 1.00 54.20 C ATOM 63 C PHE A 5 6.290 0.001 -5.491 1.00 70.21 C ATOM 64 O PHE A 5 7.414 0.499 -5.557 1.00 10.22 O ATOM 65 CB PHE A 5 4.972 0.915 -3.570 1.00 64.25 C ATOM 66 CG PHE A 5 4.351 2.188 -3.072 1.00 41.33 C ATOM 67 CD1 PHE A 5 5.012 2.982 -2.149 1.00 1.21 C ATOM 68 CD2 PHE A 5 3.106 2.591 -3.527 1.00 52.20 C ATOM 69 CE1 PHE A 5 4.443 4.155 -1.689 1.00 24.13 C ATOM 70 CE2 PHE A 5 2.532 3.763 -3.071 1.00 4.02 C ATOM 71 CZ PHE A 5 3.201 4.545 -2.150 1.00 4.24 C ATOM 0 H PHE A 5 3.643 -0.656 -5.372 1.00 23.15 H new ATOM 0 HA PHE A 5 5.219 1.851 -5.490 1.00 54.20 H new ATOM 0 HB2 PHE A 5 4.381 0.070 -3.217 1.00 64.25 H new ATOM 0 HB3 PHE A 5 5.967 0.812 -3.137 1.00 64.25 H new ATOM 0 HD1 PHE A 5 5.983 2.681 -1.785 1.00 1.21 H new ATOM 0 HD2 PHE A 5 2.578 1.983 -4.246 1.00 52.20 H new ATOM 0 HE1 PHE A 5 4.969 4.766 -0.970 1.00 24.13 H new ATOM 0 HE2 PHE A 5 1.561 4.067 -3.435 1.00 4.02 H new ATOM 0 HZ PHE A 5 2.754 5.460 -1.791 1.00 4.24 H new ATOM 81 N TYR A 6 6.050 -1.279 -5.753 1.00 70.03 N ATOM 82 CA TYR A 6 7.118 -2.194 -6.139 1.00 41.50 C ATOM 83 C TYR A 6 7.169 -2.364 -7.654 1.00 52.23 C ATOM 84 O TYR A 6 8.169 -2.821 -8.206 1.00 24.45 O ATOM 85 CB TYR A 6 6.920 -3.554 -5.468 1.00 44.11 C ATOM 86 CG TYR A 6 6.841 -3.479 -3.960 1.00 61.50 C ATOM 87 CD1 TYR A 6 7.490 -2.470 -3.260 1.00 3.12 C ATOM 88 CD2 TYR A 6 6.118 -4.419 -3.235 1.00 42.23 C ATOM 89 CE1 TYR A 6 7.421 -2.398 -1.882 1.00 23.22 C ATOM 90 CE2 TYR A 6 6.042 -4.354 -1.857 1.00 45.05 C ATOM 91 CZ TYR A 6 6.696 -3.342 -1.185 1.00 72.14 C ATOM 92 OH TYR A 6 6.624 -3.275 0.187 1.00 1.02 O ATOM 0 H TYR A 6 5.125 -1.707 -5.705 1.00 70.03 H new ATOM 0 HA TYR A 6 8.065 -1.767 -5.808 1.00 41.50 H new ATOM 0 HB2 TYR A 6 6.005 -4.008 -5.849 1.00 44.11 H new ATOM 0 HB3 TYR A 6 7.743 -4.211 -5.748 1.00 44.11 H new ATOM 0 HD1 TYR A 6 8.058 -1.729 -3.802 1.00 3.12 H new ATOM 0 HD2 TYR A 6 5.607 -5.214 -3.758 1.00 42.23 H new ATOM 0 HE1 TYR A 6 7.932 -1.607 -1.353 1.00 23.22 H new ATOM 0 HE2 TYR A 6 5.474 -5.091 -1.309 1.00 45.05 H new ATOM 0 HH TYR A 6 5.704 -3.450 0.475 1.00 1.02 H new ATOM 102 N ALA A 7 6.082 -1.991 -8.322 1.00 34.24 N ATOM 103 CA ALA A 7 6.001 -2.100 -9.773 1.00 4.20 C ATOM 104 C ALA A 7 5.818 -0.730 -10.417 1.00 11.32 C ATOM 105 O ALA A 7 6.155 -0.532 -11.583 1.00 63.55 O ATOM 106 CB ALA A 7 4.864 -3.029 -10.171 1.00 12.34 C ATOM 0 H ALA A 7 5.245 -1.610 -7.881 1.00 34.24 H new ATOM 0 HA ALA A 7 6.940 -2.519 -10.134 1.00 4.20 H new ATOM 0 HB1 ALA A 7 4.816 -3.100 -11.258 1.00 12.34 H new ATOM 0 HB2 ALA A 7 5.039 -4.019 -9.750 1.00 12.34 H new ATOM 0 HB3 ALA A 7 3.922 -2.634 -9.791 1.00 12.34 H new ATOM 112 N GLU A 8 5.281 0.213 -9.649 1.00 35.14 N ATOM 113 CA GLU A 8 5.050 1.564 -10.147 1.00 21.23 C ATOM 114 C GLU A 8 6.125 2.521 -9.641 1.00 4.14 C ATOM 115 O GLU A 8 6.231 3.656 -10.107 1.00 25.12 O ATOM 116 CB GLU A 8 3.667 2.060 -9.719 1.00 5.23 C ATOM 117 CG GLU A 8 2.683 2.186 -10.869 1.00 51.01 C ATOM 118 CD GLU A 8 1.301 2.609 -10.411 1.00 11.14 C ATOM 119 OE1 GLU A 8 1.047 3.830 -10.344 1.00 13.14 O ATOM 120 OE2 GLU A 8 0.474 1.720 -10.119 1.00 0.24 O1- ATOM 0 H GLU A 8 4.998 0.066 -8.680 1.00 35.14 H new ATOM 0 HA GLU A 8 5.096 1.535 -11.236 1.00 21.23 H new ATOM 0 HB2 GLU A 8 3.259 1.375 -8.976 1.00 5.23 H new ATOM 0 HB3 GLU A 8 3.772 3.031 -9.234 1.00 5.23 H new ATOM 0 HG2 GLU A 8 3.061 2.913 -11.588 1.00 51.01 H new ATOM 0 HG3 GLU A 8 2.613 1.230 -11.388 1.00 51.01 H new ATOM 127 N HIS A 9 6.921 2.055 -8.683 1.00 11.21 N ATOM 128 CA HIS A 9 7.988 2.869 -8.112 1.00 41.42 C ATOM 129 C HIS A 9 9.325 2.138 -8.181 1.00 23.22 C ATOM 130 O HIS A 9 10.290 2.523 -7.519 1.00 20.44 O ATOM 131 CB HIS A 9 7.664 3.229 -6.662 1.00 1.00 C ATOM 132 CG HIS A 9 7.243 4.655 -6.478 1.00 61.41 C ATOM 133 ND1 HIS A 9 6.291 5.266 -7.267 1.00 24.13 N ATOM 134 CD2 HIS A 9 7.649 5.590 -5.588 1.00 31.34 C ATOM 135 CE1 HIS A 9 6.131 6.516 -6.870 1.00 63.14 C ATOM 136 NE2 HIS A 9 6.943 6.738 -5.852 1.00 63.45 N ATOM 0 H HIS A 9 6.847 1.118 -8.286 1.00 11.21 H new ATOM 0 HA HIS A 9 8.065 3.786 -8.697 1.00 41.42 H new ATOM 0 HB2 HIS A 9 6.869 2.575 -6.303 1.00 1.00 H new ATOM 0 HB3 HIS A 9 8.540 3.035 -6.044 1.00 1.00 H new ATOM 0 HD2 HIS A 9 8.390 5.458 -4.814 1.00 31.34 H new ATOM 0 HE1 HIS A 9 5.452 7.234 -7.304 1.00 63.14 H new ATOM 0 HE2 HIS A 9 7.031 7.619 -5.345 1.00 63.45 H new ATOM 144 N LEU A 10 9.376 1.081 -8.985 1.00 15.44 N ATOM 145 CA LEU A 10 10.594 0.295 -9.139 1.00 23.42 C ATOM 146 C LEU A 10 10.924 0.085 -10.613 1.00 61.31 C ATOM 147 O LEU A 10 12.076 0.215 -11.026 1.00 60.01 O ATOM 148 CB LEU A 10 10.443 -1.058 -8.441 1.00 22.13 C ATOM 149 CG LEU A 10 11.655 -1.540 -7.642 1.00 71.43 C ATOM 150 CD1 LEU A 10 11.211 -2.206 -6.349 1.00 23.21 C ATOM 151 CD2 LEU A 10 12.496 -2.497 -8.475 1.00 42.52 C ATOM 0 H LEU A 10 8.587 0.749 -9.540 1.00 15.44 H new ATOM 0 HA LEU A 10 11.413 0.846 -8.677 1.00 23.42 H new ATOM 0 HB2 LEU A 10 9.587 -1.004 -7.768 1.00 22.13 H new ATOM 0 HB3 LEU A 10 10.208 -1.809 -9.195 1.00 22.13 H new ATOM 0 HG LEU A 10 12.267 -0.674 -7.389 1.00 71.43 H new ATOM 0 HD11 LEU A 10 12.087 -2.543 -5.794 1.00 23.21 H new ATOM 0 HD12 LEU A 10 10.651 -1.492 -5.745 1.00 23.21 H new ATOM 0 HD13 LEU A 10 10.577 -3.062 -6.580 1.00 23.21 H new ATOM 0 HD21 LEU A 10 13.354 -2.830 -7.891 1.00 42.52 H new ATOM 0 HD22 LEU A 10 11.893 -3.360 -8.758 1.00 42.52 H new ATOM 0 HD23 LEU A 10 12.844 -1.988 -9.373 1.00 42.52 H new ATOM 163 N MET A 11 9.905 -0.239 -11.402 1.00 54.30 N ATOM 164 CA MET A 11 10.086 -0.464 -12.831 1.00 44.34 C ATOM 165 C MET A 11 10.430 0.839 -13.547 1.00 62.43 C ATOM 166 O MET A 11 11.487 0.976 -14.163 1.00 64.13 O ATOM 167 CB MET A 11 8.822 -1.074 -13.438 1.00 74.31 C ATOM 168 CG MET A 11 9.044 -2.447 -14.052 1.00 34.23 C ATOM 169 SD MET A 11 8.979 -3.772 -12.831 1.00 31.43 S ATOM 170 CE MET A 11 10.645 -4.421 -12.946 1.00 54.40 C ATOM 0 H MET A 11 8.945 -0.352 -11.076 1.00 54.30 H new ATOM 0 HA MET A 11 10.915 -1.160 -12.961 1.00 44.34 H new ATOM 0 HB2 MET A 11 8.058 -1.150 -12.665 1.00 74.31 H new ATOM 0 HB3 MET A 11 8.435 -0.401 -14.203 1.00 74.31 H new ATOM 0 HG2 MET A 11 8.288 -2.625 -14.817 1.00 34.23 H new ATOM 0 HG3 MET A 11 10.013 -2.465 -14.551 1.00 34.23 H new ATOM 0 HE1 MET A 11 10.761 -5.250 -12.248 1.00 54.40 H new ATOM 0 HE2 MET A 11 10.829 -4.773 -13.961 1.00 54.40 H new ATOM 0 HE3 MET A 11 11.359 -3.636 -12.699 1.00 54.40 H new ATOM 180 N PRO A 12 9.518 1.818 -13.466 1.00 52.43 N ATOM 181 CA PRO A 12 9.703 3.127 -14.101 1.00 31.05 C ATOM 182 C PRO A 12 10.792 3.951 -13.422 1.00 13.20 C ATOM 183 O PRO A 12 11.177 5.013 -13.911 1.00 43.54 O ATOM 184 CB PRO A 12 8.339 3.800 -13.930 1.00 74.24 C ATOM 185 CG PRO A 12 7.739 3.144 -12.735 1.00 22.24 C ATOM 186 CD PRO A 12 8.235 1.724 -12.749 1.00 3.42 C ATOM 0 HA PRO A 12 10.021 3.035 -15.139 1.00 31.05 H new ATOM 0 HB2 PRO A 12 8.444 4.875 -13.781 1.00 74.24 H new ATOM 0 HB3 PRO A 12 7.715 3.660 -14.813 1.00 74.24 H new ATOM 0 HG2 PRO A 12 8.039 3.653 -11.819 1.00 22.24 H new ATOM 0 HG3 PRO A 12 6.650 3.178 -12.777 1.00 22.24 H new ATOM 0 HD2 PRO A 12 8.366 1.334 -11.740 1.00 3.42 H new ATOM 0 HD3 PRO A 12 7.537 1.060 -13.259 1.00 3.42 H new ATOM 194 N THR A 13 11.285 3.455 -12.291 1.00 42.25 N ATOM 195 CA THR A 13 12.330 4.146 -11.546 1.00 34.24 C ATOM 196 C THR A 13 13.700 3.545 -11.834 1.00 64.23 C ATOM 197 O THR A 13 14.647 4.261 -12.165 1.00 33.23 O ATOM 198 CB THR A 13 12.067 4.091 -10.029 1.00 33.11 C ATOM 199 OG1 THR A 13 10.916 4.878 -9.702 1.00 74.35 O ATOM 200 CG2 THR A 13 13.272 4.599 -9.252 1.00 53.40 C ATOM 0 H THR A 13 10.977 2.578 -11.871 1.00 42.25 H new ATOM 0 HA THR A 13 12.317 5.186 -11.873 1.00 34.24 H new ATOM 0 HB THR A 13 11.887 3.052 -9.752 1.00 33.11 H new ATOM 0 HG1 THR A 13 10.755 4.836 -8.736 1.00 74.35 H new ATOM 0 HG21 THR A 13 13.063 4.551 -8.183 1.00 53.40 H new ATOM 0 HG22 THR A 13 14.140 3.980 -9.480 1.00 53.40 H new ATOM 0 HG23 THR A 13 13.479 5.631 -9.535 1.00 53.40 H new ATOM 208 N LEU A 14 13.801 2.226 -11.708 1.00 44.24 N ATOM 209 CA LEU A 14 15.058 1.528 -11.958 1.00 75.31 C ATOM 210 C LEU A 14 15.256 1.281 -13.450 1.00 61.12 C ATOM 211 O LEU A 14 16.385 1.144 -13.921 1.00 31.22 O ATOM 212 CB LEU A 14 15.084 0.198 -11.202 1.00 13.32 C ATOM 213 CG LEU A 14 16.418 -0.182 -10.559 1.00 62.24 C ATOM 214 CD1 LEU A 14 16.209 -0.636 -9.123 1.00 71.42 C ATOM 215 CD2 LEU A 14 17.109 -1.270 -11.369 1.00 40.43 C ATOM 0 H LEU A 14 13.028 1.619 -11.434 1.00 44.24 H new ATOM 0 HA LEU A 14 15.873 2.158 -11.601 1.00 75.31 H new ATOM 0 HB2 LEU A 14 14.324 0.232 -10.422 1.00 13.32 H new ATOM 0 HB3 LEU A 14 14.797 -0.595 -11.892 1.00 13.32 H new ATOM 0 HG LEU A 14 17.059 0.700 -10.549 1.00 62.24 H new ATOM 0 HD11 LEU A 14 17.170 -0.902 -8.682 1.00 71.42 H new ATOM 0 HD12 LEU A 14 15.757 0.172 -8.548 1.00 71.42 H new ATOM 0 HD13 LEU A 14 15.550 -1.504 -9.108 1.00 71.42 H new ATOM 0 HD21 LEU A 14 18.057 -1.528 -10.897 1.00 40.43 H new ATOM 0 HD22 LEU A 14 16.472 -2.153 -11.410 1.00 40.43 H new ATOM 0 HD23 LEU A 14 17.294 -0.909 -12.381 1.00 40.43 H new ATOM 227 N GLN A 15 14.152 1.228 -14.188 1.00 71.21 N ATOM 228 CA GLN A 15 14.206 1.000 -15.627 1.00 73.52 C ATOM 229 C GLN A 15 13.372 2.036 -16.374 1.00 64.42 C ATOM 230 O GLN A 15 12.645 1.705 -17.310 1.00 25.30 O ATOM 231 CB GLN A 15 13.709 -0.408 -15.960 1.00 61.35 C ATOM 232 CG GLN A 15 14.612 -1.512 -15.434 1.00 71.42 C ATOM 233 CD GLN A 15 13.938 -2.363 -14.376 1.00 13.34 C ATOM 234 OE1 GLN A 15 13.267 -1.712 -13.432 1.00 52.01 O flip ATOM 235 NE2 GLN A 15 14.019 -3.591 -14.405 1.00 70.11 N flip ATOM 0 H GLN A 15 13.210 1.340 -13.813 1.00 71.21 H new ATOM 0 HA GLN A 15 15.244 1.097 -15.946 1.00 73.52 H new ATOM 0 HB2 GLN A 15 12.710 -0.539 -15.545 1.00 61.35 H new ATOM 0 HB3 GLN A 15 13.621 -0.507 -17.042 1.00 61.35 H new ATOM 0 HG2 GLN A 15 14.922 -2.148 -16.263 1.00 71.42 H new ATOM 0 HG3 GLN A 15 15.516 -1.069 -15.017 1.00 71.42 H new ATOM 0 HE21 GLN A 15 14.545 -4.050 -15.149 1.00 70.11 H new ATOM 0 HE22 GLN A 15 13.560 -4.150 -13.685 1.00 70.11 H new ATOM 244 N GLY A 16 13.483 3.292 -15.954 1.00 1.24 N ATOM 245 CA GLY A 16 12.732 4.357 -16.593 1.00 4.24 C ATOM 246 C GLY A 16 13.282 5.731 -16.265 1.00 2.31 C ATOM 247 O GLY A 16 13.263 6.632 -17.104 1.00 52.45 O ATOM 0 H GLY A 16 14.079 3.591 -15.183 1.00 1.24 H new ATOM 0 HA2 GLY A 16 12.748 4.211 -17.673 1.00 4.24 H new ATOM 0 HA3 GLY A 16 11.690 4.302 -16.279 1.00 4.24 H new ATOM 251 N LEU A 17 13.772 5.894 -15.041 1.00 45.11 N ATOM 252 CA LEU A 17 14.329 7.169 -14.603 1.00 51.52 C ATOM 253 C LEU A 17 15.778 7.316 -15.057 1.00 32.11 C ATOM 254 O LEU A 17 16.412 8.345 -14.822 1.00 4.14 O ATOM 255 CB LEU A 17 14.245 7.289 -13.081 1.00 12.25 C ATOM 256 CG LEU A 17 13.349 8.406 -12.544 1.00 33.24 C ATOM 257 CD1 LEU A 17 11.906 8.184 -12.970 1.00 50.24 C ATOM 258 CD2 LEU A 17 13.451 8.490 -11.028 1.00 24.44 C ATOM 0 H LEU A 17 13.795 5.159 -14.334 1.00 45.11 H new ATOM 0 HA LEU A 17 13.743 7.968 -15.057 1.00 51.52 H new ATOM 0 HB2 LEU A 17 13.888 6.340 -12.681 1.00 12.25 H new ATOM 0 HB3 LEU A 17 15.252 7.440 -12.692 1.00 12.25 H new ATOM 0 HG LEU A 17 13.690 9.352 -12.965 1.00 33.24 H new ATOM 0 HD11 LEU A 17 11.283 8.988 -12.579 1.00 50.24 H new ATOM 0 HD12 LEU A 17 11.845 8.175 -14.058 1.00 50.24 H new ATOM 0 HD13 LEU A 17 11.554 7.230 -12.579 1.00 50.24 H new ATOM 0 HD21 LEU A 17 12.807 9.290 -10.664 1.00 24.44 H new ATOM 0 HD22 LEU A 17 13.137 7.543 -10.589 1.00 24.44 H new ATOM 0 HD23 LEU A 17 14.483 8.697 -10.744 1.00 24.44 H new ATOM 270 N LEU A 18 16.295 6.281 -15.710 1.00 41.32 N ATOM 271 CA LEU A 18 17.669 6.295 -16.200 1.00 3.03 C ATOM 272 C LEU A 18 17.867 5.253 -17.296 1.00 42.20 C ATOM 273 O LEU A 18 18.974 4.753 -17.499 1.00 11.52 O ATOM 274 CB LEU A 18 18.644 6.033 -15.050 1.00 13.52 C ATOM 275 CG LEU A 18 18.104 5.196 -13.890 1.00 70.31 C ATOM 276 CD1 LEU A 18 17.759 3.792 -14.361 1.00 72.43 C ATOM 277 CD2 LEU A 18 19.114 5.145 -12.753 1.00 42.41 C ATOM 0 H LEU A 18 15.784 5.422 -15.912 1.00 41.32 H new ATOM 0 HA LEU A 18 17.869 7.281 -16.621 1.00 3.03 H new ATOM 0 HB2 LEU A 18 19.525 5.533 -15.453 1.00 13.52 H new ATOM 0 HB3 LEU A 18 18.976 6.993 -14.655 1.00 13.52 H new ATOM 0 HG LEU A 18 17.194 5.668 -13.520 1.00 70.31 H new ATOM 0 HD11 LEU A 18 17.376 3.211 -13.522 1.00 72.43 H new ATOM 0 HD12 LEU A 18 17.000 3.846 -15.141 1.00 72.43 H new ATOM 0 HD13 LEU A 18 18.653 3.311 -14.758 1.00 72.43 H new ATOM 0 HD21 LEU A 18 18.712 4.545 -11.936 1.00 42.41 H new ATOM 0 HD22 LEU A 18 20.042 4.697 -13.110 1.00 42.41 H new ATOM 0 HD23 LEU A 18 19.312 6.156 -12.397 1.00 42.41 H new ATOM 289 N ASP A 19 16.788 4.932 -18.001 1.00 63.03 N ATOM 290 CA ASP A 19 16.844 3.953 -19.080 1.00 72.43 C ATOM 291 C ASP A 19 17.404 4.578 -20.354 1.00 4.23 C ATOM 292 O ASP A 19 17.302 5.784 -20.579 1.00 42.21 O ATOM 293 CB ASP A 19 15.452 3.379 -19.349 1.00 73.12 C ATOM 294 CG ASP A 19 15.294 1.968 -18.818 1.00 25.24 C ATOM 295 OD1 ASP A 19 14.340 1.279 -19.236 1.00 23.22 O ATOM 296 OD2 ASP A 19 16.126 1.552 -17.984 1.00 40.21 O1- ATOM 0 H ASP A 19 15.864 5.335 -17.845 1.00 63.03 H new ATOM 0 HA ASP A 19 17.508 3.146 -18.770 1.00 72.43 H new ATOM 0 HB2 ASP A 19 14.702 4.023 -18.890 1.00 73.12 H new ATOM 0 HB3 ASP A 19 15.262 3.383 -20.422 1.00 73.12 H new ATOM 301 N PRO A 20 18.012 3.741 -21.207 1.00 24.51 N ATOM 302 CA PRO A 20 18.602 4.189 -22.472 1.00 10.22 C ATOM 303 C PRO A 20 17.545 4.612 -23.486 1.00 70.34 C ATOM 304 O PRO A 20 17.869 5.144 -24.547 1.00 54.43 O ATOM 305 CB PRO A 20 19.357 2.954 -22.969 1.00 50.00 C ATOM 306 CG PRO A 20 18.654 1.801 -22.340 1.00 14.32 C ATOM 307 CD PRO A 20 18.171 2.291 -21.003 1.00 34.24 C ATOM 0 HA PRO A 20 19.235 5.066 -22.339 1.00 10.22 H new ATOM 0 HB2 PRO A 20 19.333 2.887 -24.057 1.00 50.00 H new ATOM 0 HB3 PRO A 20 20.406 2.986 -22.675 1.00 50.00 H new ATOM 0 HG2 PRO A 20 17.820 1.468 -22.958 1.00 14.32 H new ATOM 0 HG3 PRO A 20 19.325 0.950 -22.225 1.00 14.32 H new ATOM 0 HD2 PRO A 20 17.230 1.820 -20.719 1.00 34.24 H new ATOM 0 HD3 PRO A 20 18.889 2.073 -20.212 1.00 34.24 H new ATOM 315 N GLU A 21 16.281 4.371 -23.153 1.00 31.34 N ATOM 316 CA GLU A 21 15.177 4.728 -24.036 1.00 11.24 C ATOM 317 C GLU A 21 14.158 5.600 -23.307 1.00 71.32 C ATOM 318 O GLU A 21 13.580 6.517 -23.890 1.00 70.13 O ATOM 319 CB GLU A 21 14.495 3.468 -24.572 1.00 64.24 C ATOM 320 CG GLU A 21 12.980 3.502 -24.464 1.00 42.11 C ATOM 321 CD GLU A 21 12.317 2.355 -25.201 1.00 55.12 C ATOM 322 OE1 GLU A 21 12.468 2.279 -26.439 1.00 0.24 O ATOM 323 OE2 GLU A 21 11.646 1.534 -24.542 1.00 11.05 O1- ATOM 0 H GLU A 21 15.996 3.930 -22.278 1.00 31.34 H new ATOM 0 HA GLU A 21 15.584 5.296 -24.873 1.00 11.24 H new ATOM 0 HB2 GLU A 21 14.773 3.331 -25.617 1.00 64.24 H new ATOM 0 HB3 GLU A 21 14.870 2.602 -24.026 1.00 64.24 H new ATOM 0 HG2 GLU A 21 12.694 3.468 -23.413 1.00 42.11 H new ATOM 0 HG3 GLU A 21 12.612 4.447 -24.864 1.00 42.11 H new ATOM 330 N SER A 22 13.943 5.305 -22.029 1.00 14.51 N ATOM 331 CA SER A 22 12.990 6.058 -21.221 1.00 41.32 C ATOM 332 C SER A 22 13.606 7.366 -20.734 1.00 11.34 C ATOM 333 O SER A 22 12.990 8.427 -20.826 1.00 53.51 O ATOM 334 CB SER A 22 12.529 5.222 -20.026 1.00 63.31 C ATOM 335 OG SER A 22 11.158 4.884 -20.139 1.00 34.13 O ATOM 0 H SER A 22 14.415 4.551 -21.531 1.00 14.51 H new ATOM 0 HA SER A 22 12.128 6.292 -21.845 1.00 41.32 H new ATOM 0 HB2 SER A 22 13.127 4.313 -19.962 1.00 63.31 H new ATOM 0 HB3 SER A 22 12.695 5.778 -19.103 1.00 63.31 H new ATOM 0 HG SER A 22 10.888 4.348 -19.364 1.00 34.13 H new ATOM 341 N ALA A 23 14.826 7.281 -20.214 1.00 21.12 N ATOM 342 CA ALA A 23 15.527 8.457 -19.712 1.00 74.42 C ATOM 343 C ALA A 23 16.122 9.271 -20.856 1.00 60.50 C ATOM 344 O ALA A 23 16.198 10.498 -20.785 1.00 34.44 O ATOM 345 CB ALA A 23 16.615 8.044 -18.733 1.00 5.13 C ATOM 0 H ALA A 23 15.350 6.410 -20.129 1.00 21.12 H new ATOM 0 HA ALA A 23 14.805 9.086 -19.191 1.00 74.42 H new ATOM 0 HB1 ALA A 23 17.130 8.932 -18.366 1.00 5.13 H new ATOM 0 HB2 ALA A 23 16.167 7.512 -17.894 1.00 5.13 H new ATOM 0 HB3 ALA A 23 17.329 7.392 -19.236 1.00 5.13 H new ATOM 351 N HIS A 24 16.545 8.580 -21.910 1.00 75.03 N ATOM 352 CA HIS A 24 17.135 9.240 -23.070 1.00 35.42 C ATOM 353 C HIS A 24 16.074 9.998 -23.862 1.00 35.41 C ATOM 354 O HIS A 24 16.318 11.103 -24.346 1.00 63.44 O ATOM 355 CB HIS A 24 17.824 8.214 -23.970 1.00 43.32 C ATOM 356 CG HIS A 24 17.567 8.430 -25.430 1.00 5.12 C ATOM 357 ND1 HIS A 24 16.534 8.044 -26.214 1.00 73.11 N flip ATOM 358 CD2 HIS A 24 18.435 9.117 -26.253 1.00 33.25 C flip ATOM 359 CE1 HIS A 24 16.792 8.501 -27.483 1.00 13.25 C flip ATOM 360 NE2 HIS A 24 17.945 9.145 -27.480 1.00 32.54 N flip ATOM 0 H HIS A 24 16.490 7.564 -21.985 1.00 75.03 H new ATOM 0 HA HIS A 24 17.876 9.955 -22.713 1.00 35.42 H new ATOM 0 HB2 HIS A 24 18.898 8.248 -23.790 1.00 43.32 H new ATOM 0 HB3 HIS A 24 17.486 7.215 -23.694 1.00 43.32 H new ATOM 0 HD2 HIS A 24 19.369 9.562 -25.943 1.00 33.25 H new ATOM 0 HE1 HIS A 24 16.155 8.357 -28.344 1.00 13.25 H new ATOM 0 HE2 HIS A 24 18.383 9.589 -28.287 1.00 32.54 H new ATOM 368 N ARG A 25 14.895 9.396 -23.990 1.00 44.01 N ATOM 369 CA ARG A 25 13.798 10.013 -24.725 1.00 43.43 C ATOM 370 C ARG A 25 13.263 11.233 -23.981 1.00 30.15 C ATOM 371 O ARG A 25 12.874 12.227 -24.595 1.00 13.35 O ATOM 372 CB ARG A 25 12.672 9.002 -24.946 1.00 54.44 C ATOM 373 CG ARG A 25 11.462 9.585 -25.660 1.00 23.52 C ATOM 374 CD ARG A 25 10.164 9.165 -24.988 1.00 41.02 C ATOM 375 NE ARG A 25 10.162 7.747 -24.639 1.00 72.11 N ATOM 376 CZ ARG A 25 9.829 6.781 -25.489 1.00 10.45 C ATOM 377 NH1 ARG A 25 9.474 7.080 -26.731 1.00 12.04 N1+ ATOM 378 NH2 ARG A 25 9.851 5.514 -25.096 1.00 45.02 N ATOM 0 H ARG A 25 14.676 8.482 -23.594 1.00 44.01 H new ATOM 0 HA ARG A 25 14.180 10.338 -25.693 1.00 43.43 H new ATOM 0 HB2 ARG A 25 13.057 8.163 -25.526 1.00 54.44 H new ATOM 0 HB3 ARG A 25 12.357 8.604 -23.981 1.00 54.44 H new ATOM 0 HG2 ARG A 25 11.533 10.673 -25.670 1.00 23.52 H new ATOM 0 HG3 ARG A 25 11.458 9.257 -26.699 1.00 23.52 H new ATOM 0 HD2 ARG A 25 10.013 9.760 -24.087 1.00 41.02 H new ATOM 0 HD3 ARG A 25 9.327 9.376 -25.653 1.00 41.02 H new ATOM 0 HE ARG A 25 10.431 7.483 -23.691 1.00 72.11 H new ATOM 0 HH11 ARG A 25 9.456 8.053 -27.036 1.00 12.04 H new ATOM 0 HH12 ARG A 25 9.219 6.337 -27.381 1.00 12.04 H new ATOM 0 HH21 ARG A 25 10.124 5.281 -24.141 1.00 45.02 H new ATOM 0 HH22 ARG A 25 9.595 4.773 -25.749 1.00 45.02 H new ATOM 392 N LEU A 26 13.246 11.149 -22.655 1.00 13.31 N ATOM 393 CA LEU A 26 12.759 12.246 -21.825 1.00 54.14 C ATOM 394 C LEU A 26 13.850 13.288 -21.604 1.00 44.13 C ATOM 395 O LEU A 26 13.571 14.420 -21.210 1.00 23.35 O ATOM 396 CB LEU A 26 12.266 11.713 -20.479 1.00 0.32 C ATOM 397 CG LEU A 26 10.846 12.113 -20.078 1.00 13.23 C ATOM 398 CD1 LEU A 26 10.366 11.274 -18.904 1.00 21.32 C ATOM 399 CD2 LEU A 26 10.785 13.595 -19.736 1.00 61.11 C ATOM 0 H LEU A 26 13.564 10.333 -22.132 1.00 13.31 H new ATOM 0 HA LEU A 26 11.929 12.722 -22.346 1.00 54.14 H new ATOM 0 HB2 LEU A 26 12.323 10.625 -20.499 1.00 0.32 H new ATOM 0 HB3 LEU A 26 12.951 12.054 -19.703 1.00 0.32 H new ATOM 0 HG LEU A 26 10.185 11.928 -20.925 1.00 13.23 H new ATOM 0 HD11 LEU A 26 9.354 11.573 -18.633 1.00 21.32 H new ATOM 0 HD12 LEU A 26 10.371 10.221 -19.184 1.00 21.32 H new ATOM 0 HD13 LEU A 26 11.029 11.426 -18.053 1.00 21.32 H new ATOM 0 HD21 LEU A 26 9.767 13.861 -19.453 1.00 61.11 H new ATOM 0 HD22 LEU A 26 11.459 13.805 -18.906 1.00 61.11 H new ATOM 0 HD23 LEU A 26 11.085 14.181 -20.604 1.00 61.11 H new ATOM 411 N ALA A 27 15.094 12.898 -21.864 1.00 3.54 N ATOM 412 CA ALA A 27 16.228 13.800 -21.697 1.00 34.22 C ATOM 413 C ALA A 27 16.511 14.569 -22.983 1.00 11.24 C ATOM 414 O ALA A 27 16.633 15.794 -22.971 1.00 3.22 O ATOM 415 CB ALA A 27 17.461 13.022 -21.262 1.00 50.11 C ATOM 0 H ALA A 27 15.342 11.964 -22.191 1.00 3.54 H new ATOM 0 HA ALA A 27 15.976 14.522 -20.921 1.00 34.22 H new ATOM 0 HB1 ALA A 27 18.300 13.707 -21.141 1.00 50.11 H new ATOM 0 HB2 ALA A 27 17.261 12.523 -20.314 1.00 50.11 H new ATOM 0 HB3 ALA A 27 17.707 12.277 -22.019 1.00 50.11 H new ATOM 421 N VAL A 28 16.615 13.843 -24.091 1.00 20.31 N ATOM 422 CA VAL A 28 16.885 14.457 -25.385 1.00 44.12 C ATOM 423 C VAL A 28 15.911 15.594 -25.668 1.00 55.50 C ATOM 424 O VAL A 28 16.283 16.616 -26.245 1.00 62.03 O ATOM 425 CB VAL A 28 16.798 13.425 -26.525 1.00 42.34 C ATOM 426 CG1 VAL A 28 17.899 12.385 -26.390 1.00 21.45 C ATOM 427 CG2 VAL A 28 15.428 12.765 -26.542 1.00 31.20 C ATOM 0 H VAL A 28 16.516 12.828 -24.118 1.00 20.31 H new ATOM 0 HA VAL A 28 17.899 14.854 -25.341 1.00 44.12 H new ATOM 0 HB VAL A 28 16.937 13.944 -27.473 1.00 42.34 H new ATOM 0 HG11 VAL A 28 17.821 11.665 -27.204 1.00 21.45 H new ATOM 0 HG12 VAL A 28 18.871 12.877 -26.432 1.00 21.45 H new ATOM 0 HG13 VAL A 28 17.795 11.867 -25.436 1.00 21.45 H new ATOM 0 HG21 VAL A 28 15.384 12.039 -27.354 1.00 31.20 H new ATOM 0 HG22 VAL A 28 15.256 12.259 -25.592 1.00 31.20 H new ATOM 0 HG23 VAL A 28 14.660 13.524 -26.692 1.00 31.20 H new ATOM 437 N ARG A 29 14.660 15.411 -25.257 1.00 61.41 N ATOM 438 CA ARG A 29 13.630 16.421 -25.468 1.00 62.20 C ATOM 439 C ARG A 29 13.962 17.702 -24.709 1.00 42.32 C ATOM 440 O ARG A 29 13.741 18.806 -25.207 1.00 40.35 O ATOM 441 CB ARG A 29 12.266 15.890 -25.022 1.00 44.12 C ATOM 442 CG ARG A 29 12.260 15.343 -23.604 1.00 54.40 C ATOM 443 CD ARG A 29 10.863 14.921 -23.177 1.00 33.24 C ATOM 444 NE ARG A 29 9.958 16.061 -23.059 1.00 11.14 N ATOM 445 CZ ARG A 29 8.799 16.016 -22.411 1.00 70.31 C ATOM 446 NH1 ARG A 29 8.406 14.893 -21.826 1.00 23.40 N1+ ATOM 447 NH2 ARG A 29 8.030 17.095 -22.347 1.00 44.54 N ATOM 0 H ARG A 29 14.336 14.572 -24.776 1.00 61.41 H new ATOM 0 HA ARG A 29 13.593 16.649 -26.533 1.00 62.20 H new ATOM 0 HB2 ARG A 29 11.531 16.692 -25.096 1.00 44.12 H new ATOM 0 HB3 ARG A 29 11.950 15.103 -25.707 1.00 44.12 H new ATOM 0 HG2 ARG A 29 12.935 14.490 -23.539 1.00 54.40 H new ATOM 0 HG3 ARG A 29 12.638 16.101 -22.918 1.00 54.40 H new ATOM 0 HD2 ARG A 29 10.461 14.213 -23.902 1.00 33.24 H new ATOM 0 HD3 ARG A 29 10.918 14.401 -22.220 1.00 33.24 H new ATOM 0 HE ARG A 29 10.231 16.940 -23.498 1.00 11.14 H new ATOM 0 HH11 ARG A 29 8.994 14.061 -21.873 1.00 23.40 H new ATOM 0 HH12 ARG A 29 7.516 14.861 -21.329 1.00 23.40 H new ATOM 0 HH21 ARG A 29 8.328 17.961 -22.796 1.00 44.54 H new ATOM 0 HH22 ARG A 29 7.141 17.059 -21.849 1.00 44.54 H new ATOM 461 N PHE A 30 14.494 17.548 -23.501 1.00 74.31 N ATOM 462 CA PHE A 30 14.855 18.692 -22.673 1.00 2.13 C ATOM 463 C PHE A 30 16.216 19.249 -23.079 1.00 43.32 C ATOM 464 O PHE A 30 16.511 20.424 -22.857 1.00 42.20 O ATOM 465 CB PHE A 30 14.875 18.293 -21.196 1.00 2.44 C ATOM 466 CG PHE A 30 13.559 17.765 -20.699 1.00 45.44 C ATOM 467 CD1 PHE A 30 12.368 18.205 -21.253 1.00 41.04 C ATOM 468 CD2 PHE A 30 13.514 16.830 -19.678 1.00 62.24 C ATOM 469 CE1 PHE A 30 11.156 17.721 -20.799 1.00 74.14 C ATOM 470 CE2 PHE A 30 12.305 16.342 -19.221 1.00 31.25 C ATOM 471 CZ PHE A 30 11.124 16.789 -19.781 1.00 22.22 C ATOM 0 H PHE A 30 14.685 16.642 -23.074 1.00 74.31 H new ATOM 0 HA PHE A 30 14.105 19.468 -22.823 1.00 2.13 H new ATOM 0 HB2 PHE A 30 15.643 17.534 -21.043 1.00 2.44 H new ATOM 0 HB3 PHE A 30 15.159 19.159 -20.598 1.00 2.44 H new ATOM 0 HD1 PHE A 30 12.387 18.935 -22.049 1.00 41.04 H new ATOM 0 HD2 PHE A 30 14.434 16.479 -19.234 1.00 62.24 H new ATOM 0 HE1 PHE A 30 10.235 18.071 -21.240 1.00 74.14 H new ATOM 0 HE2 PHE A 30 12.283 15.611 -18.426 1.00 31.25 H new ATOM 0 HZ PHE A 30 10.178 16.410 -19.423 1.00 22.22 H new ATOM 481 N THR A 31 17.044 18.397 -23.676 1.00 52.11 N ATOM 482 CA THR A 31 18.374 18.802 -24.112 1.00 62.02 C ATOM 483 C THR A 31 18.312 19.570 -25.428 1.00 34.42 C ATOM 484 O THR A 31 18.992 20.581 -25.600 1.00 73.02 O ATOM 485 CB THR A 31 19.303 17.586 -24.284 1.00 64.44 C ATOM 486 OG1 THR A 31 19.163 16.700 -23.168 1.00 73.32 O ATOM 487 CG2 THR A 31 20.754 18.026 -24.409 1.00 1.21 C ATOM 0 H THR A 31 16.816 17.422 -23.868 1.00 52.11 H new ATOM 0 HA THR A 31 18.777 19.451 -23.335 1.00 62.02 H new ATOM 0 HB THR A 31 19.017 17.066 -25.198 1.00 64.44 H new ATOM 0 HG1 THR A 31 18.322 16.203 -23.248 1.00 73.32 H new ATOM 0 HG21 THR A 31 21.391 17.150 -24.530 1.00 1.21 H new ATOM 0 HG22 THR A 31 20.864 18.676 -25.277 1.00 1.21 H new ATOM 0 HG23 THR A 31 21.049 18.568 -23.510 1.00 1.21 H new ATOM 495 N SER A 32 17.491 19.083 -26.353 1.00 72.11 N ATOM 496 CA SER A 32 17.341 19.723 -27.655 1.00 31.12 C ATOM 497 C SER A 32 16.025 20.491 -27.734 1.00 41.11 C ATOM 498 O SER A 32 15.458 20.665 -28.814 1.00 3.22 O ATOM 499 CB SER A 32 17.403 18.678 -28.771 1.00 13.14 C ATOM 500 OG SER A 32 18.248 19.107 -29.824 1.00 74.34 O ATOM 0 H SER A 32 16.920 18.248 -26.225 1.00 72.11 H new ATOM 0 HA SER A 32 18.162 20.429 -27.782 1.00 31.12 H new ATOM 0 HB2 SER A 32 17.769 17.733 -28.369 1.00 13.14 H new ATOM 0 HB3 SER A 32 16.400 18.494 -29.157 1.00 13.14 H new ATOM 0 HG SER A 32 18.272 18.422 -30.524 1.00 74.34 H new ATOM 506 N LEU A 33 15.544 20.949 -26.583 1.00 64.34 N ATOM 507 CA LEU A 33 14.295 21.699 -26.521 1.00 0.25 C ATOM 508 C LEU A 33 14.468 23.094 -27.112 1.00 55.42 C ATOM 509 O LEU A 33 13.495 23.823 -27.305 1.00 71.54 O ATOM 510 CB LEU A 33 13.812 21.803 -25.073 1.00 32.11 C ATOM 511 CG LEU A 33 14.219 23.069 -24.318 1.00 52.15 C ATOM 512 CD1 LEU A 33 13.595 23.088 -22.932 1.00 21.14 C ATOM 513 CD2 LEU A 33 15.734 23.170 -24.225 1.00 43.41 C ATOM 0 H LEU A 33 16.000 20.814 -25.681 1.00 64.34 H new ATOM 0 HA LEU A 33 13.549 21.165 -27.110 1.00 0.25 H new ATOM 0 HB2 LEU A 33 12.724 21.735 -25.068 1.00 32.11 H new ATOM 0 HB3 LEU A 33 14.187 20.940 -24.523 1.00 32.11 H new ATOM 0 HG LEU A 33 13.851 23.933 -24.871 1.00 52.15 H new ATOM 0 HD11 LEU A 33 13.896 23.996 -22.410 1.00 21.14 H new ATOM 0 HD12 LEU A 33 12.509 23.064 -23.022 1.00 21.14 H new ATOM 0 HD13 LEU A 33 13.932 22.217 -22.369 1.00 21.14 H new ATOM 0 HD21 LEU A 33 16.006 24.077 -23.685 1.00 43.41 H new ATOM 0 HD22 LEU A 33 16.125 22.301 -23.695 1.00 43.41 H new ATOM 0 HD23 LEU A 33 16.159 23.205 -25.228 1.00 43.41 H new ATOM 525 N GLY A 34 15.713 23.460 -27.400 1.00 62.11 N ATOM 526 CA GLY A 34 15.990 24.765 -27.970 1.00 3.51 C ATOM 527 C GLY A 34 16.334 25.798 -26.914 1.00 74.34 C ATOM 528 O GLY A 34 15.467 26.231 -26.155 1.00 71.22 O ATOM 0 H GLY A 34 16.535 22.876 -27.249 1.00 62.11 H new ATOM 0 HA2 GLY A 34 16.817 24.682 -28.675 1.00 3.51 H new ATOM 0 HA3 GLY A 34 15.121 25.103 -28.535 1.00 3.51 H new HETATM 532 N NH2 A 35 17.489 26.206 -26.815 1.00 0.00 N TER 535 NH2 A 35