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 9 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Set 1.2: A 13 THR OG1 : rot 143:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 134:sc= 0.0184 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.332 F(o=-2.5,f=-0.33) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 31 THR OG1 : rot 69:sc= 1.1 USER MOD Single : A 32 SER OG : rot 58:sc= 0.635! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.648 0.509 0.341 1.00 54.51 N ATOM 2 CA GLY A 1 2.363 0.512 -0.922 1.00 22.54 C ATOM 3 C GLY A 1 3.080 -0.798 -1.184 1.00 73.21 C ATOM 4 O GLY A 1 4.068 -1.116 -0.523 1.00 21.34 O ATOM 0 H1 GLY A 1 1.175 1.425 0.474 1.00 54.51 H new ATOM 0 H2 GLY A 1 0.937 -0.250 0.336 1.00 54.51 H new ATOM 0 H3 GLY A 1 2.319 0.350 1.119 1.00 54.51 H new ATOM 0 HA2 GLY A 1 1.661 0.707 -1.733 1.00 22.54 H new ATOM 0 HA3 GLY A 1 3.088 1.326 -0.924 1.00 22.54 H new ATOM 10 N ASP A 2 2.580 -1.561 -2.151 1.00 1.55 N ATOM 11 CA ASP A 2 3.179 -2.844 -2.499 1.00 42.42 C ATOM 12 C ASP A 2 3.197 -3.042 -4.012 1.00 2.23 C ATOM 13 O ASP A 2 4.256 -3.013 -4.638 1.00 21.32 O ATOM 14 CB ASP A 2 2.413 -3.987 -1.832 1.00 0.43 C ATOM 15 CG ASP A 2 2.652 -4.048 -0.336 1.00 15.53 C ATOM 16 OD1 ASP A 2 3.767 -3.696 0.102 1.00 23.53 O ATOM 17 OD2 ASP A 2 1.722 -4.445 0.397 1.00 22.41 O1- ATOM 0 H ASP A 2 1.762 -1.313 -2.707 1.00 1.55 H new ATOM 0 HA ASP A 2 4.207 -2.847 -2.137 1.00 42.42 H new ATOM 0 HB2 ASP A 2 1.347 -3.866 -2.022 1.00 0.43 H new ATOM 0 HB3 ASP A 2 2.712 -4.933 -2.284 1.00 0.43 H new ATOM 22 N GLU A 3 2.018 -3.243 -4.591 1.00 71.42 N ATOM 23 CA GLU A 3 1.900 -3.449 -6.030 1.00 13.30 C ATOM 24 C GLU A 3 2.052 -2.130 -6.782 1.00 44.21 C ATOM 25 O GLU A 3 2.404 -2.113 -7.962 1.00 14.11 O ATOM 26 CB GLU A 3 0.551 -4.088 -6.367 1.00 52.53 C ATOM 27 CG GLU A 3 0.406 -5.510 -5.853 1.00 75.03 C ATOM 28 CD GLU A 3 -0.756 -6.246 -6.493 1.00 11.43 C ATOM 29 OE1 GLU A 3 -1.583 -5.585 -7.156 1.00 11.23 O ATOM 30 OE2 GLU A 3 -0.839 -7.481 -6.330 1.00 43.22 O1- ATOM 0 H GLU A 3 1.132 -3.268 -4.087 1.00 71.42 H new ATOM 0 HA GLU A 3 2.700 -4.120 -6.342 1.00 13.30 H new ATOM 0 HB2 GLU A 3 -0.247 -3.476 -5.947 1.00 52.53 H new ATOM 0 HB3 GLU A 3 0.418 -4.086 -7.449 1.00 52.53 H new ATOM 0 HG2 GLU A 3 1.328 -6.058 -6.045 1.00 75.03 H new ATOM 0 HG3 GLU A 3 0.267 -5.489 -4.772 1.00 75.03 H new ATOM 37 N ARG A 4 1.785 -1.027 -6.091 1.00 5.35 N ATOM 38 CA ARG A 4 1.892 0.297 -6.692 1.00 65.12 C ATOM 39 C ARG A 4 3.162 1.005 -6.227 1.00 33.31 C ATOM 40 O ARG A 4 3.421 2.148 -6.604 1.00 24.33 O ATOM 41 CB ARG A 4 0.666 1.141 -6.340 1.00 5.31 C ATOM 42 CG ARG A 4 -0.592 0.729 -7.087 1.00 3.55 C ATOM 43 CD ARG A 4 -0.670 1.391 -8.454 1.00 21.14 C ATOM 44 NE ARG A 4 -0.837 0.414 -9.526 1.00 31.42 N ATOM 45 CZ ARG A 4 -1.297 0.719 -10.734 1.00 3.50 C ATOM 46 NH1 ARG A 4 -1.633 1.969 -11.022 1.00 44.23 N1+ ATOM 47 NH2 ARG A 4 -1.421 -0.226 -11.657 1.00 4.20 N ATOM 0 H ARG A 4 1.493 -1.024 -5.114 1.00 5.35 H new ATOM 0 HA ARG A 4 1.941 0.174 -7.774 1.00 65.12 H new ATOM 0 HB2 ARG A 4 0.482 1.069 -5.268 1.00 5.31 H new ATOM 0 HB3 ARG A 4 0.881 2.187 -6.557 1.00 5.31 H new ATOM 0 HG2 ARG A 4 -0.608 -0.354 -7.205 1.00 3.55 H new ATOM 0 HG3 ARG A 4 -1.470 0.999 -6.500 1.00 3.55 H new ATOM 0 HD2 ARG A 4 -1.504 2.093 -8.470 1.00 21.14 H new ATOM 0 HD3 ARG A 4 0.237 1.970 -8.629 1.00 21.14 H new ATOM 0 HE ARG A 4 -0.587 -0.556 -9.337 1.00 31.42 H new ATOM 0 HH11 ARG A 4 -1.538 2.698 -10.315 1.00 44.23 H new ATOM 0 HH12 ARG A 4 -1.986 2.201 -11.950 1.00 44.23 H new ATOM 0 HH21 ARG A 4 -1.163 -1.188 -11.439 1.00 4.20 H new ATOM 0 HH22 ARG A 4 -1.774 0.010 -12.584 1.00 4.20 H new ATOM 61 N PHE A 5 3.949 0.318 -5.405 1.00 74.13 N ATOM 62 CA PHE A 5 5.190 0.881 -4.888 1.00 23.44 C ATOM 63 C PHE A 5 6.389 0.039 -5.316 1.00 31.14 C ATOM 64 O PHE A 5 7.509 0.540 -5.417 1.00 10.23 O ATOM 65 CB PHE A 5 5.136 0.972 -3.361 1.00 41.22 C ATOM 66 CG PHE A 5 4.529 2.251 -2.859 1.00 23.04 C ATOM 67 CD1 PHE A 5 5.218 3.057 -1.967 1.00 25.44 C ATOM 68 CD2 PHE A 5 3.269 2.647 -3.278 1.00 24.03 C ATOM 69 CE1 PHE A 5 4.663 4.234 -1.502 1.00 42.24 C ATOM 70 CE2 PHE A 5 2.709 3.824 -2.817 1.00 63.43 C ATOM 71 CZ PHE A 5 3.406 4.618 -1.928 1.00 24.53 C ATOM 0 H PHE A 5 3.749 -0.629 -5.083 1.00 74.13 H new ATOM 0 HA PHE A 5 5.305 1.883 -5.301 1.00 23.44 H new ATOM 0 HB2 PHE A 5 4.561 0.130 -2.975 1.00 41.22 H new ATOM 0 HB3 PHE A 5 6.146 0.878 -2.963 1.00 41.22 H new ATOM 0 HD1 PHE A 5 6.201 2.762 -1.631 1.00 25.44 H new ATOM 0 HD2 PHE A 5 2.718 2.030 -3.972 1.00 24.03 H new ATOM 0 HE1 PHE A 5 5.211 4.853 -0.807 1.00 42.24 H new ATOM 0 HE2 PHE A 5 1.727 4.122 -3.152 1.00 63.43 H new ATOM 0 HZ PHE A 5 2.970 5.537 -1.566 1.00 24.53 H new ATOM 81 N TYR A 6 6.145 -1.243 -5.565 1.00 41.31 N ATOM 82 CA TYR A 6 7.204 -2.156 -5.978 1.00 41.13 C ATOM 83 C TYR A 6 7.213 -2.330 -7.494 1.00 35.11 C ATOM 84 O TYR A 6 8.204 -2.772 -8.074 1.00 1.34 O ATOM 85 CB TYR A 6 7.028 -3.515 -5.299 1.00 5.25 C ATOM 86 CG TYR A 6 6.997 -3.437 -3.789 1.00 24.21 C ATOM 87 CD1 TYR A 6 7.662 -2.422 -3.112 1.00 40.32 C ATOM 88 CD2 TYR A 6 6.305 -4.380 -3.039 1.00 55.51 C ATOM 89 CE1 TYR A 6 7.637 -2.347 -1.733 1.00 21.01 C ATOM 90 CE2 TYR A 6 6.273 -4.312 -1.660 1.00 11.13 C ATOM 91 CZ TYR A 6 6.941 -3.294 -1.011 1.00 72.03 C ATOM 92 OH TYR A 6 6.913 -3.224 0.363 1.00 51.02 O ATOM 0 H TYR A 6 5.223 -1.673 -5.488 1.00 41.31 H new ATOM 0 HA TYR A 6 8.158 -1.726 -5.674 1.00 41.13 H new ATOM 0 HB2 TYR A 6 6.102 -3.970 -5.650 1.00 5.25 H new ATOM 0 HB3 TYR A 6 7.842 -4.173 -5.604 1.00 5.25 H new ATOM 0 HD1 TYR A 6 8.208 -1.679 -3.674 1.00 40.32 H new ATOM 0 HD2 TYR A 6 5.783 -5.180 -3.543 1.00 55.51 H new ATOM 0 HE1 TYR A 6 8.160 -1.551 -1.223 1.00 21.01 H new ATOM 0 HE2 TYR A 6 5.728 -5.052 -1.093 1.00 11.13 H new ATOM 0 HH TYR A 6 5.995 -3.356 0.679 1.00 51.02 H new ATOM 102 N ALA A 7 6.099 -1.979 -8.129 1.00 45.25 N ATOM 103 CA ALA A 7 5.978 -2.093 -9.577 1.00 70.55 C ATOM 104 C ALA A 7 5.759 -0.728 -10.220 1.00 1.11 C ATOM 105 O ALA A 7 6.058 -0.531 -11.397 1.00 60.32 O ATOM 106 CB ALA A 7 4.840 -3.037 -9.939 1.00 24.25 C ATOM 0 H ALA A 7 5.268 -1.614 -7.663 1.00 45.25 H new ATOM 0 HA ALA A 7 6.912 -2.501 -9.963 1.00 70.55 H new ATOM 0 HB1 ALA A 7 4.761 -3.113 -11.024 1.00 24.25 H new ATOM 0 HB2 ALA A 7 5.038 -4.023 -9.520 1.00 24.25 H new ATOM 0 HB3 ALA A 7 3.905 -2.652 -9.533 1.00 24.25 H new ATOM 112 N GLU A 8 5.235 0.211 -9.439 1.00 3.53 N ATOM 113 CA GLU A 8 4.974 1.558 -9.934 1.00 24.10 C ATOM 114 C GLU A 8 6.037 2.535 -9.439 1.00 41.04 C ATOM 115 O GLU A 8 6.103 3.679 -9.891 1.00 31.13 O ATOM 116 CB GLU A 8 3.587 2.028 -9.491 1.00 5.51 C ATOM 117 CG GLU A 8 2.579 2.104 -10.625 1.00 43.42 C ATOM 118 CD GLU A 8 2.605 0.874 -11.512 1.00 13.34 C ATOM 119 OE1 GLU A 8 2.480 1.030 -12.744 1.00 73.35 O ATOM 120 OE2 GLU A 8 2.749 -0.243 -10.973 1.00 42.10 O1- ATOM 0 H GLU A 8 4.983 0.064 -8.462 1.00 3.53 H new ATOM 0 HA GLU A 8 5.010 1.531 -11.023 1.00 24.10 H new ATOM 0 HB2 GLU A 8 3.210 1.349 -8.726 1.00 5.51 H new ATOM 0 HB3 GLU A 8 3.676 3.011 -9.029 1.00 5.51 H new ATOM 0 HG2 GLU A 8 1.579 2.227 -10.209 1.00 43.42 H new ATOM 0 HG3 GLU A 8 2.784 2.988 -11.229 1.00 43.42 H new ATOM 127 N HIS A 9 6.867 2.076 -8.508 1.00 63.13 N ATOM 128 CA HIS A 9 7.927 2.909 -7.951 1.00 62.22 C ATOM 129 C HIS A 9 9.276 2.200 -8.034 1.00 74.31 C ATOM 130 O HIS A 9 10.244 2.609 -7.392 1.00 63.45 O ATOM 131 CB HIS A 9 7.614 3.265 -6.498 1.00 11.32 C ATOM 132 CG HIS A 9 7.840 4.710 -6.173 1.00 72.13 C ATOM 133 ND1 HIS A 9 8.944 5.414 -6.604 1.00 43.10 N ATOM 134 CD2 HIS A 9 7.094 5.583 -5.457 1.00 4.42 C ATOM 135 CE1 HIS A 9 8.869 6.658 -6.165 1.00 64.10 C ATOM 136 NE2 HIS A 9 7.756 6.787 -5.467 1.00 32.25 N ATOM 0 H HIS A 9 6.826 1.132 -8.123 1.00 63.13 H new ATOM 0 HA HIS A 9 7.981 3.826 -8.538 1.00 62.22 H new ATOM 0 HB2 HIS A 9 6.575 3.012 -6.286 1.00 11.32 H new ATOM 0 HB3 HIS A 9 8.232 2.652 -5.841 1.00 11.32 H new ATOM 0 HD2 HIS A 9 6.154 5.373 -4.969 1.00 4.42 H new ATOM 0 HE1 HIS A 9 9.595 7.437 -6.346 1.00 64.10 H new ATOM 0 HE2 HIS A 9 7.439 7.642 -5.009 1.00 32.25 H new ATOM 144 N LEU A 10 9.331 1.135 -8.827 1.00 51.41 N ATOM 145 CA LEU A 10 10.561 0.368 -8.993 1.00 55.11 C ATOM 146 C LEU A 10 10.856 0.126 -10.470 1.00 20.22 C ATOM 147 O LEU A 10 11.996 0.255 -10.914 1.00 4.31 O ATOM 148 CB LEU A 10 10.454 -0.968 -8.256 1.00 63.35 C ATOM 149 CG LEU A 10 11.763 -1.540 -7.710 1.00 44.45 C ATOM 150 CD1 LEU A 10 12.727 -1.846 -8.846 1.00 40.14 C ATOM 151 CD2 LEU A 10 12.395 -0.573 -6.719 1.00 74.10 C ATOM 0 H LEU A 10 8.539 0.783 -9.365 1.00 51.41 H new ATOM 0 HA LEU A 10 11.382 0.946 -8.568 1.00 55.11 H new ATOM 0 HB2 LEU A 10 9.759 -0.847 -7.425 1.00 63.35 H new ATOM 0 HB3 LEU A 10 10.016 -1.700 -8.934 1.00 63.35 H new ATOM 0 HG LEU A 10 11.541 -2.471 -7.188 1.00 44.45 H new ATOM 0 HD11 LEU A 10 13.653 -2.252 -8.438 1.00 40.14 H new ATOM 0 HD12 LEU A 10 12.276 -2.575 -9.519 1.00 40.14 H new ATOM 0 HD13 LEU A 10 12.944 -0.930 -9.396 1.00 40.14 H new ATOM 0 HD21 LEU A 10 13.325 -0.996 -6.341 1.00 74.10 H new ATOM 0 HD22 LEU A 10 12.603 0.374 -7.217 1.00 74.10 H new ATOM 0 HD23 LEU A 10 11.710 -0.403 -5.889 1.00 74.10 H new ATOM 163 N MET A 11 9.820 -0.224 -11.225 1.00 64.54 N ATOM 164 CA MET A 11 9.969 -0.482 -12.653 1.00 61.01 C ATOM 165 C MET A 11 10.279 0.806 -13.409 1.00 1.34 C ATOM 166 O MET A 11 11.318 0.940 -14.056 1.00 11.02 O ATOM 167 CB MET A 11 8.697 -1.122 -13.213 1.00 0.31 C ATOM 168 CG MET A 11 8.931 -2.481 -13.851 1.00 73.40 C ATOM 169 SD MET A 11 10.154 -2.426 -15.174 1.00 62.54 S ATOM 170 CE MET A 11 10.367 -4.173 -15.511 1.00 43.31 C ATOM 0 H MET A 11 8.869 -0.335 -10.873 1.00 64.54 H new ATOM 0 HA MET A 11 10.803 -1.171 -12.787 1.00 61.01 H new ATOM 0 HB2 MET A 11 7.969 -1.228 -12.409 1.00 0.31 H new ATOM 0 HB3 MET A 11 8.259 -0.453 -13.953 1.00 0.31 H new ATOM 0 HG2 MET A 11 9.260 -3.185 -13.087 1.00 73.40 H new ATOM 0 HG3 MET A 11 7.989 -2.859 -14.248 1.00 73.40 H new ATOM 0 HE1 MET A 11 11.097 -4.303 -16.310 1.00 43.31 H new ATOM 0 HE2 MET A 11 10.721 -4.677 -14.611 1.00 43.31 H new ATOM 0 HE3 MET A 11 9.413 -4.603 -15.817 1.00 43.31 H new ATOM 180 N PRO A 12 9.358 1.778 -13.326 1.00 42.02 N ATOM 181 CA PRO A 12 9.512 3.073 -13.996 1.00 33.00 C ATOM 182 C PRO A 12 10.609 3.925 -13.367 1.00 32.34 C ATOM 183 O PRO A 12 10.969 4.979 -13.891 1.00 42.11 O ATOM 184 CB PRO A 12 8.145 3.735 -13.805 1.00 51.22 C ATOM 185 CG PRO A 12 7.585 3.102 -12.579 1.00 31.33 C ATOM 186 CD PRO A 12 8.096 1.688 -12.573 1.00 24.45 C ATOM 0 HA PRO A 12 9.804 2.960 -15.040 1.00 33.00 H new ATOM 0 HB2 PRO A 12 8.241 4.814 -13.685 1.00 51.22 H new ATOM 0 HB3 PRO A 12 7.500 3.567 -14.667 1.00 51.22 H new ATOM 0 HG2 PRO A 12 7.904 3.636 -11.684 1.00 31.33 H new ATOM 0 HG3 PRO A 12 6.495 3.123 -12.592 1.00 31.33 H new ATOM 0 HD2 PRO A 12 8.258 1.324 -11.559 1.00 24.45 H new ATOM 0 HD3 PRO A 12 7.392 1.004 -13.048 1.00 24.45 H new ATOM 194 N THR A 13 11.138 3.461 -12.238 1.00 51.14 N ATOM 195 CA THR A 13 12.194 4.180 -11.537 1.00 51.34 C ATOM 196 C THR A 13 13.563 3.583 -11.844 1.00 13.32 C ATOM 197 O THR A 13 14.494 4.298 -12.218 1.00 14.13 O ATOM 198 CB THR A 13 11.969 4.164 -10.014 1.00 12.13 C ATOM 199 OG1 THR A 13 10.819 4.949 -9.680 1.00 11.40 O ATOM 200 CG2 THR A 13 13.188 4.704 -9.281 1.00 32.32 C ATOM 0 H THR A 13 10.852 2.590 -11.790 1.00 51.14 H new ATOM 0 HA THR A 13 12.163 5.211 -11.890 1.00 51.34 H new ATOM 0 HB THR A 13 11.806 3.132 -9.704 1.00 12.13 H new ATOM 0 HG1 THR A 13 10.330 4.518 -8.948 1.00 11.40 H new ATOM 0 HG21 THR A 13 13.005 4.683 -8.207 1.00 32.32 H new ATOM 0 HG22 THR A 13 14.056 4.087 -9.514 1.00 32.32 H new ATOM 0 HG23 THR A 13 13.377 5.730 -9.597 1.00 32.32 H new ATOM 208 N LEU A 14 13.679 2.270 -11.684 1.00 61.31 N ATOM 209 CA LEU A 14 14.935 1.575 -11.946 1.00 1.51 C ATOM 210 C LEU A 14 15.101 1.294 -13.436 1.00 23.22 C ATOM 211 O LEU A 14 16.220 1.151 -13.929 1.00 32.25 O ATOM 212 CB LEU A 14 14.990 0.265 -11.158 1.00 43.33 C ATOM 213 CG LEU A 14 16.326 -0.059 -10.488 1.00 33.02 C ATOM 214 CD1 LEU A 14 16.327 0.416 -9.043 1.00 40.32 C ATOM 215 CD2 LEU A 14 16.610 -1.552 -10.560 1.00 60.22 C ATOM 0 H LEU A 14 12.919 1.665 -11.374 1.00 61.31 H new ATOM 0 HA LEU A 14 15.753 2.220 -11.624 1.00 1.51 H new ATOM 0 HB2 LEU A 14 14.218 0.294 -10.389 1.00 43.33 H new ATOM 0 HB3 LEU A 14 14.737 -0.553 -11.833 1.00 43.33 H new ATOM 0 HG LEU A 14 17.116 0.467 -11.023 1.00 33.02 H new ATOM 0 HD11 LEU A 14 17.285 0.177 -8.582 1.00 40.32 H new ATOM 0 HD12 LEU A 14 16.169 1.494 -9.014 1.00 40.32 H new ATOM 0 HD13 LEU A 14 15.527 -0.082 -8.496 1.00 40.32 H new ATOM 0 HD21 LEU A 14 17.565 -1.764 -10.078 1.00 60.22 H new ATOM 0 HD22 LEU A 14 15.817 -2.098 -10.050 1.00 60.22 H new ATOM 0 HD23 LEU A 14 16.653 -1.864 -11.603 1.00 60.22 H new ATOM 227 N GLN A 15 13.981 1.218 -14.147 1.00 30.31 N ATOM 228 CA GLN A 15 14.003 0.955 -15.581 1.00 5.00 C ATOM 229 C GLN A 15 13.158 1.976 -16.335 1.00 13.23 C ATOM 230 O GLN A 15 12.401 1.624 -17.238 1.00 53.33 O ATOM 231 CB GLN A 15 13.495 -0.459 -15.870 1.00 43.50 C ATOM 232 CG GLN A 15 14.407 -1.553 -15.340 1.00 23.11 C ATOM 233 CD GLN A 15 13.763 -2.364 -14.233 1.00 4.25 C ATOM 234 OE1 GLN A 15 13.137 -1.678 -13.284 1.00 65.43 O flip ATOM 235 NE2 GLN A 15 13.828 -3.593 -14.229 1.00 13.21 N flip ATOM 0 H GLN A 15 13.047 1.335 -13.754 1.00 30.31 H new ATOM 0 HA GLN A 15 15.034 1.040 -15.924 1.00 5.00 H new ATOM 0 HB2 GLN A 15 12.505 -0.578 -15.429 1.00 43.50 H new ATOM 0 HB3 GLN A 15 13.381 -0.582 -16.947 1.00 43.50 H new ATOM 0 HG2 GLN A 15 14.684 -2.218 -16.158 1.00 23.11 H new ATOM 0 HG3 GLN A 15 15.328 -1.104 -14.968 1.00 23.11 H new ATOM 0 HE21 GLN A 15 14.319 -4.080 -14.978 1.00 13.21 H new ATOM 0 HE22 GLN A 15 13.390 -4.124 -13.476 1.00 13.21 H new ATOM 244 N GLY A 16 13.292 3.244 -15.956 1.00 31.30 N ATOM 245 CA GLY A 16 12.532 4.296 -16.605 1.00 43.20 C ATOM 246 C GLY A 16 13.092 5.676 -16.320 1.00 65.42 C ATOM 247 O GLY A 16 13.063 6.556 -17.181 1.00 71.12 O ATOM 0 H GLY A 16 13.913 3.561 -15.211 1.00 31.30 H new ATOM 0 HA2 GLY A 16 12.526 4.125 -17.681 1.00 43.20 H new ATOM 0 HA3 GLY A 16 11.496 4.251 -16.270 1.00 43.20 H new ATOM 251 N LEU A 17 13.603 5.866 -15.109 1.00 2.32 N ATOM 252 CA LEU A 17 14.172 7.150 -14.711 1.00 74.35 C ATOM 253 C LEU A 17 15.622 7.268 -15.170 1.00 13.34 C ATOM 254 O LEU A 17 16.267 8.297 -14.963 1.00 61.10 O ATOM 255 CB LEU A 17 14.089 7.318 -13.193 1.00 50.34 C ATOM 256 CG LEU A 17 13.178 8.439 -12.691 1.00 74.31 C ATOM 257 CD1 LEU A 17 11.722 8.118 -12.991 1.00 73.54 C ATOM 258 CD2 LEU A 17 13.380 8.662 -11.199 1.00 54.25 C ATOM 0 H LEU A 17 13.635 5.148 -14.385 1.00 2.32 H new ATOM 0 HA LEU A 17 13.594 7.941 -15.189 1.00 74.35 H new ATOM 0 HB2 LEU A 17 13.746 6.378 -12.762 1.00 50.34 H new ATOM 0 HB3 LEU A 17 15.095 7.496 -12.812 1.00 50.34 H new ATOM 0 HG LEU A 17 13.442 9.358 -13.215 1.00 74.31 H new ATOM 0 HD11 LEU A 17 11.089 8.927 -12.627 1.00 73.54 H new ATOM 0 HD12 LEU A 17 11.588 8.009 -14.067 1.00 73.54 H new ATOM 0 HD13 LEU A 17 11.445 7.188 -12.494 1.00 73.54 H new ATOM 0 HD21 LEU A 17 12.724 9.463 -10.859 1.00 54.25 H new ATOM 0 HD22 LEU A 17 13.144 7.745 -10.659 1.00 54.25 H new ATOM 0 HD23 LEU A 17 14.417 8.938 -11.009 1.00 54.25 H new ATOM 270 N LEU A 18 16.128 6.211 -15.794 1.00 74.31 N ATOM 271 CA LEU A 18 17.502 6.196 -16.284 1.00 54.43 C ATOM 272 C LEU A 18 17.674 5.163 -17.393 1.00 35.01 C ATOM 273 O LEU A 18 18.776 4.670 -17.630 1.00 45.21 O ATOM 274 CB LEU A 18 18.470 5.898 -15.138 1.00 74.42 C ATOM 275 CG LEU A 18 17.888 5.127 -13.952 1.00 64.13 C ATOM 276 CD1 LEU A 18 17.427 3.745 -14.388 1.00 52.04 C ATOM 277 CD2 LEU A 18 18.913 5.020 -12.832 1.00 13.20 C ATOM 0 H LEU A 18 15.607 5.352 -15.973 1.00 74.31 H new ATOM 0 HA LEU A 18 17.726 7.181 -16.693 1.00 54.43 H new ATOM 0 HB2 LEU A 18 19.311 5.331 -15.537 1.00 74.42 H new ATOM 0 HB3 LEU A 18 18.869 6.843 -14.771 1.00 74.42 H new ATOM 0 HG LEU A 18 17.023 5.674 -13.576 1.00 64.13 H new ATOM 0 HD11 LEU A 18 17.016 3.211 -13.531 1.00 52.04 H new ATOM 0 HD12 LEU A 18 16.660 3.843 -15.156 1.00 52.04 H new ATOM 0 HD13 LEU A 18 18.274 3.189 -14.790 1.00 52.04 H new ATOM 0 HD21 LEU A 18 18.482 4.469 -11.996 1.00 13.20 H new ATOM 0 HD22 LEU A 18 19.796 4.495 -13.196 1.00 13.20 H new ATOM 0 HD23 LEU A 18 19.195 6.019 -12.500 1.00 13.20 H new ATOM 289 N ASP A 19 16.577 4.841 -18.070 1.00 13.13 N ATOM 290 CA ASP A 19 16.607 3.869 -19.157 1.00 15.35 C ATOM 291 C ASP A 19 17.095 4.515 -20.449 1.00 61.25 C ATOM 292 O ASP A 19 16.886 5.703 -20.696 1.00 65.24 O ATOM 293 CB ASP A 19 15.217 3.265 -19.367 1.00 24.21 C ATOM 294 CG ASP A 19 15.096 1.874 -18.776 1.00 14.01 C ATOM 295 OD1 ASP A 19 15.957 1.502 -17.952 1.00 31.25 O ATOM 296 OD2 ASP A 19 14.139 1.158 -19.137 1.00 55.11 O1- ATOM 0 H ASP A 19 15.656 5.239 -17.885 1.00 13.13 H new ATOM 0 HA ASP A 19 17.302 3.075 -18.884 1.00 15.35 H new ATOM 0 HB2 ASP A 19 14.469 3.916 -18.914 1.00 24.21 H new ATOM 0 HB3 ASP A 19 14.999 3.224 -20.434 1.00 24.21 H new ATOM 301 N PRO A 20 17.762 3.715 -21.295 1.00 43.50 N ATOM 302 CA PRO A 20 18.295 4.187 -22.576 1.00 42.55 C ATOM 303 C PRO A 20 17.193 4.497 -23.584 1.00 21.11 C ATOM 304 O PRO A 20 17.459 5.011 -24.670 1.00 24.32 O ATOM 305 CB PRO A 20 19.148 3.012 -23.061 1.00 33.13 C ATOM 306 CG PRO A 20 18.554 1.816 -22.400 1.00 2.03 C ATOM 307 CD PRO A 20 18.048 2.289 -21.065 1.00 55.23 C ATOM 0 HA PRO A 20 18.851 5.118 -22.467 1.00 42.55 H new ATOM 0 HB2 PRO A 20 19.116 2.921 -24.147 1.00 33.13 H new ATOM 0 HB3 PRO A 20 20.194 3.140 -22.782 1.00 33.13 H new ATOM 0 HG2 PRO A 20 17.744 1.401 -23.000 1.00 2.03 H new ATOM 0 HG3 PRO A 20 19.297 1.028 -22.279 1.00 2.03 H new ATOM 0 HD2 PRO A 20 17.155 1.744 -20.758 1.00 55.23 H new ATOM 0 HD3 PRO A 20 18.792 2.150 -20.281 1.00 55.23 H new ATOM 315 N GLU A 21 15.955 4.181 -23.216 1.00 23.12 N ATOM 316 CA GLU A 21 14.813 4.427 -24.088 1.00 43.14 C ATOM 317 C GLU A 21 13.750 5.254 -23.372 1.00 55.11 C ATOM 318 O GLU A 21 12.959 5.953 -24.007 1.00 23.51 O ATOM 319 CB GLU A 21 14.211 3.103 -24.563 1.00 63.04 C ATOM 320 CG GLU A 21 14.058 2.072 -23.457 1.00 42.53 C ATOM 321 CD GLU A 21 13.560 0.735 -23.971 1.00 0.44 C ATOM 322 OE1 GLU A 21 12.444 0.331 -23.584 1.00 34.24 O ATOM 323 OE2 GLU A 21 14.286 0.094 -24.758 1.00 72.14 O1- ATOM 0 H GLU A 21 15.718 3.754 -22.320 1.00 23.12 H new ATOM 0 HA GLU A 21 15.164 4.989 -24.953 1.00 43.14 H new ATOM 0 HB2 GLU A 21 13.234 3.296 -25.006 1.00 63.04 H new ATOM 0 HB3 GLU A 21 14.841 2.689 -25.350 1.00 63.04 H new ATOM 0 HG2 GLU A 21 15.018 1.932 -22.961 1.00 42.53 H new ATOM 0 HG3 GLU A 21 13.364 2.450 -22.706 1.00 42.53 H new ATOM 330 N SER A 22 13.736 5.169 -22.046 1.00 20.23 N ATOM 331 CA SER A 22 12.767 5.905 -21.242 1.00 70.02 C ATOM 332 C SER A 22 13.367 7.211 -20.730 1.00 34.24 C ATOM 333 O SER A 22 12.719 8.257 -20.757 1.00 33.23 O ATOM 334 CB SER A 22 12.295 5.050 -20.064 1.00 41.24 C ATOM 335 OG SER A 22 10.923 4.719 -20.192 1.00 1.32 O ATOM 0 H SER A 22 14.385 4.598 -21.505 1.00 20.23 H new ATOM 0 HA SER A 22 11.912 6.142 -21.875 1.00 70.02 H new ATOM 0 HB2 SER A 22 12.889 4.138 -20.012 1.00 41.24 H new ATOM 0 HB3 SER A 22 12.457 5.590 -19.131 1.00 41.24 H new ATOM 0 HG SER A 22 10.646 4.171 -19.428 1.00 1.32 H new ATOM 341 N ALA A 23 14.609 7.141 -20.262 1.00 52.05 N ATOM 342 CA ALA A 23 15.297 8.317 -19.744 1.00 63.43 C ATOM 343 C ALA A 23 15.927 9.126 -20.873 1.00 21.12 C ATOM 344 O ALA A 23 16.077 10.344 -20.768 1.00 74.25 O ATOM 345 CB ALA A 23 16.357 7.905 -18.733 1.00 35.23 C ATOM 0 H ALA A 23 15.159 6.283 -20.231 1.00 52.05 H new ATOM 0 HA ALA A 23 14.561 8.948 -19.246 1.00 63.43 H new ATOM 0 HB1 ALA A 23 16.863 8.793 -18.354 1.00 35.23 H new ATOM 0 HB2 ALA A 23 15.884 7.376 -17.905 1.00 35.23 H new ATOM 0 HB3 ALA A 23 17.084 7.251 -19.214 1.00 35.23 H new ATOM 351 N HIS A 24 16.296 8.442 -21.951 1.00 74.33 N ATOM 352 CA HIS A 24 16.911 9.098 -23.100 1.00 33.23 C ATOM 353 C HIS A 24 15.886 9.933 -23.861 1.00 70.15 C ATOM 354 O HIS A 24 16.202 11.008 -24.370 1.00 43.42 O ATOM 355 CB HIS A 24 17.535 8.060 -24.033 1.00 20.23 C ATOM 356 CG HIS A 24 17.293 8.337 -25.485 1.00 30.05 C ATOM 357 ND1 HIS A 24 18.155 9.081 -26.263 1.00 30.53 N ATOM 358 CD2 HIS A 24 16.279 7.964 -26.300 1.00 62.21 C ATOM 359 CE1 HIS A 24 17.681 9.154 -27.494 1.00 10.34 C ATOM 360 NE2 HIS A 24 16.544 8.484 -27.543 1.00 13.41 N ATOM 0 H HIS A 24 16.180 7.434 -22.053 1.00 74.33 H new ATOM 0 HA HIS A 24 17.694 9.762 -22.733 1.00 33.23 H new ATOM 0 HB2 HIS A 24 18.609 8.021 -23.853 1.00 20.23 H new ATOM 0 HB3 HIS A 24 17.135 7.076 -23.788 1.00 20.23 H new ATOM 0 HD2 HIS A 24 15.421 7.368 -26.024 1.00 62.21 H new ATOM 0 HE1 HIS A 24 18.144 9.673 -28.320 1.00 10.34 H new ATOM 0 HE2 HIS A 24 15.958 8.371 -28.370 1.00 13.41 H new ATOM 368 N ARG A 25 14.658 9.430 -23.936 1.00 40.15 N ATOM 369 CA ARG A 25 13.588 10.129 -24.638 1.00 71.31 C ATOM 370 C ARG A 25 13.116 11.341 -23.841 1.00 11.03 C ATOM 371 O ARG A 25 12.848 12.403 -24.405 1.00 32.31 O ATOM 372 CB ARG A 25 12.413 9.183 -24.892 1.00 32.44 C ATOM 373 CG ARG A 25 11.827 8.585 -23.623 1.00 23.13 C ATOM 374 CD ARG A 25 10.653 7.669 -23.929 1.00 33.12 C ATOM 375 NE ARG A 25 9.377 8.379 -23.878 1.00 24.30 N ATOM 376 CZ ARG A 25 8.196 7.771 -23.910 1.00 45.22 C ATOM 377 NH1 ARG A 25 8.129 6.450 -23.992 1.00 61.41 N1+ ATOM 378 NH2 ARG A 25 7.080 8.486 -23.860 1.00 13.12 N ATOM 0 H ARG A 25 14.379 8.542 -23.520 1.00 40.15 H new ATOM 0 HA ARG A 25 13.980 10.475 -25.594 1.00 71.31 H new ATOM 0 HB2 ARG A 25 11.630 9.724 -25.424 1.00 32.44 H new ATOM 0 HB3 ARG A 25 12.742 8.375 -25.546 1.00 32.44 H new ATOM 0 HG2 ARG A 25 12.598 8.025 -23.094 1.00 23.13 H new ATOM 0 HG3 ARG A 25 11.502 9.386 -22.959 1.00 23.13 H new ATOM 0 HD2 ARG A 25 10.784 7.230 -24.918 1.00 33.12 H new ATOM 0 HD3 ARG A 25 10.639 6.846 -23.214 1.00 33.12 H new ATOM 0 HE ARG A 25 9.394 9.397 -23.814 1.00 24.30 H new ATOM 0 HH11 ARG A 25 8.985 5.897 -24.031 1.00 61.41 H new ATOM 0 HH12 ARG A 25 7.221 5.986 -24.016 1.00 61.41 H new ATOM 0 HH21 ARG A 25 7.128 9.503 -23.797 1.00 13.12 H new ATOM 0 HH22 ARG A 25 6.174 8.019 -23.885 1.00 13.12 H new ATOM 392 N LEU A 26 13.016 11.176 -22.526 1.00 71.45 N ATOM 393 CA LEU A 26 12.577 12.256 -21.651 1.00 14.44 C ATOM 394 C LEU A 26 13.692 13.276 -21.442 1.00 70.21 C ATOM 395 O LEU A 26 13.439 14.417 -21.056 1.00 24.42 O ATOM 396 CB LEU A 26 12.125 11.694 -20.301 1.00 41.44 C ATOM 397 CG LEU A 26 10.761 12.169 -19.799 1.00 71.34 C ATOM 398 CD1 LEU A 26 10.325 11.355 -18.591 1.00 14.22 C ATOM 399 CD2 LEU A 26 10.804 13.651 -19.459 1.00 53.35 C ATOM 0 H LEU A 26 13.233 10.304 -22.043 1.00 71.45 H new ATOM 0 HA LEU A 26 11.736 12.758 -22.129 1.00 14.44 H new ATOM 0 HB2 LEU A 26 12.105 10.606 -20.371 1.00 41.44 H new ATOM 0 HB3 LEU A 26 12.875 11.952 -19.553 1.00 41.44 H new ATOM 0 HG LEU A 26 10.030 12.021 -20.594 1.00 71.34 H new ATOM 0 HD11 LEU A 26 9.352 11.707 -18.247 1.00 14.22 H new ATOM 0 HD12 LEU A 26 10.253 10.303 -18.868 1.00 14.22 H new ATOM 0 HD13 LEU A 26 11.056 11.471 -17.791 1.00 14.22 H new ATOM 0 HD21 LEU A 26 9.825 13.971 -19.104 1.00 53.35 H new ATOM 0 HD22 LEU A 26 11.547 13.824 -18.681 1.00 53.35 H new ATOM 0 HD23 LEU A 26 11.071 14.221 -20.349 1.00 53.35 H new ATOM 411 N ALA A 27 14.926 12.857 -21.702 1.00 70.45 N ATOM 412 CA ALA A 27 16.079 13.734 -21.547 1.00 45.13 C ATOM 413 C ALA A 27 16.398 14.458 -22.851 1.00 61.11 C ATOM 414 O ALA A 27 16.557 15.678 -22.872 1.00 41.55 O ATOM 415 CB ALA A 27 17.287 12.939 -21.074 1.00 4.11 C ATOM 0 H ALA A 27 15.153 11.915 -22.021 1.00 70.45 H new ATOM 0 HA ALA A 27 15.834 14.485 -20.796 1.00 45.13 H new ATOM 0 HB1 ALA A 27 18.141 13.607 -20.962 1.00 4.11 H new ATOM 0 HB2 ALA A 27 17.063 12.473 -20.114 1.00 4.11 H new ATOM 0 HB3 ALA A 27 17.524 12.167 -21.806 1.00 4.11 H new ATOM 421 N VAL A 28 16.491 13.697 -23.937 1.00 53.44 N ATOM 422 CA VAL A 28 16.792 14.266 -25.246 1.00 12.54 C ATOM 423 C VAL A 28 15.855 15.424 -25.570 1.00 53.40 C ATOM 424 O VAL A 28 16.250 16.394 -26.218 1.00 62.51 O ATOM 425 CB VAL A 28 16.684 13.206 -26.357 1.00 74.04 C ATOM 426 CG1 VAL A 28 15.249 12.718 -26.492 1.00 63.13 C ATOM 427 CG2 VAL A 28 17.192 13.765 -27.678 1.00 14.23 C ATOM 0 H VAL A 28 16.362 12.685 -23.936 1.00 53.44 H new ATOM 0 HA VAL A 28 17.817 14.633 -25.204 1.00 12.54 H new ATOM 0 HB VAL A 28 17.308 12.355 -26.085 1.00 74.04 H new ATOM 0 HG11 VAL A 28 15.192 11.969 -27.282 1.00 63.13 H new ATOM 0 HG12 VAL A 28 14.925 12.277 -25.550 1.00 63.13 H new ATOM 0 HG13 VAL A 28 14.601 13.558 -26.741 1.00 63.13 H new ATOM 0 HG21 VAL A 28 17.108 13.002 -28.452 1.00 14.23 H new ATOM 0 HG22 VAL A 28 16.596 14.634 -27.959 1.00 14.23 H new ATOM 0 HG23 VAL A 28 18.236 14.060 -27.571 1.00 14.23 H new ATOM 437 N ARG A 29 14.611 15.317 -25.115 1.00 13.24 N ATOM 438 CA ARG A 29 13.616 16.355 -25.358 1.00 71.31 C ATOM 439 C ARG A 29 13.979 17.640 -24.621 1.00 3.14 C ATOM 440 O ARG A 29 13.786 18.741 -25.138 1.00 24.33 O ATOM 441 CB ARG A 29 12.231 15.876 -24.919 1.00 11.22 C ATOM 442 CG ARG A 29 12.190 15.361 -23.490 1.00 34.54 C ATOM 443 CD ARG A 29 10.773 15.003 -23.067 1.00 2.30 C ATOM 444 NE ARG A 29 9.922 16.184 -22.952 1.00 52.35 N ATOM 445 CZ ARG A 29 8.792 16.211 -22.255 1.00 31.14 C ATOM 446 NH1 ARG A 29 8.380 15.127 -21.612 1.00 60.31 N1+ ATOM 447 NH2 ARG A 29 8.072 17.324 -22.198 1.00 34.11 N ATOM 0 H ARG A 29 14.268 14.522 -24.576 1.00 13.24 H new ATOM 0 HA ARG A 29 13.599 16.563 -26.428 1.00 71.31 H new ATOM 0 HB2 ARG A 29 11.522 16.698 -25.021 1.00 11.22 H new ATOM 0 HB3 ARG A 29 11.900 15.085 -25.591 1.00 11.22 H new ATOM 0 HG2 ARG A 29 12.830 14.484 -23.400 1.00 34.54 H new ATOM 0 HG3 ARG A 29 12.591 16.119 -22.817 1.00 34.54 H new ATOM 0 HD2 ARG A 29 10.341 14.314 -23.793 1.00 2.30 H new ATOM 0 HD3 ARG A 29 10.801 14.482 -22.110 1.00 2.30 H new ATOM 0 HE ARG A 29 10.211 17.035 -23.434 1.00 52.35 H new ATOM 0 HH11 ARG A 29 8.931 14.270 -21.652 1.00 60.31 H new ATOM 0 HH12 ARG A 29 7.512 15.150 -21.077 1.00 60.31 H new ATOM 0 HH21 ARG A 29 8.386 18.160 -22.690 1.00 34.11 H new ATOM 0 HH22 ARG A 29 7.204 17.343 -21.662 1.00 34.11 H new ATOM 461 N PHE A 30 14.506 17.493 -23.409 1.00 74.43 N ATOM 462 CA PHE A 30 14.895 18.641 -22.600 1.00 0.41 C ATOM 463 C PHE A 30 16.276 19.149 -23.004 1.00 61.35 C ATOM 464 O PHE A 30 16.611 20.313 -22.787 1.00 5.55 O ATOM 465 CB PHE A 30 14.890 18.271 -21.115 1.00 41.22 C ATOM 466 CG PHE A 30 13.551 17.806 -20.618 1.00 23.01 C ATOM 467 CD1 PHE A 30 12.382 18.292 -21.180 1.00 33.41 C ATOM 468 CD2 PHE A 30 13.463 16.883 -19.588 1.00 14.40 C ATOM 469 CE1 PHE A 30 11.148 17.865 -20.725 1.00 1.32 C ATOM 470 CE2 PHE A 30 12.232 16.453 -19.129 1.00 40.11 C ATOM 471 CZ PHE A 30 11.073 16.946 -19.697 1.00 63.53 C ATOM 0 H PHE A 30 14.673 16.589 -22.966 1.00 74.43 H new ATOM 0 HA PHE A 30 14.170 19.437 -22.772 1.00 0.41 H new ATOM 0 HB2 PHE A 30 15.626 17.486 -20.942 1.00 41.22 H new ATOM 0 HB3 PHE A 30 15.205 19.137 -20.532 1.00 41.22 H new ATOM 0 HD1 PHE A 30 12.435 19.013 -21.983 1.00 33.41 H new ATOM 0 HD2 PHE A 30 14.366 16.496 -19.139 1.00 14.40 H new ATOM 0 HE1 PHE A 30 10.244 18.250 -21.173 1.00 1.32 H new ATOM 0 HE2 PHE A 30 12.176 15.732 -18.327 1.00 40.11 H new ATOM 0 HZ PHE A 30 10.110 16.613 -19.338 1.00 63.53 H new ATOM 481 N THR A 31 17.075 18.265 -23.595 1.00 51.32 N ATOM 482 CA THR A 31 18.420 18.621 -24.029 1.00 10.31 C ATOM 483 C THR A 31 18.391 19.357 -25.364 1.00 14.03 C ATOM 484 O THR A 31 19.200 20.251 -25.608 1.00 41.52 O ATOM 485 CB THR A 31 19.316 17.375 -24.162 1.00 54.21 C ATOM 486 OG1 THR A 31 19.122 16.510 -23.038 1.00 13.14 O ATOM 487 CG2 THR A 31 20.782 17.770 -24.258 1.00 15.12 C ATOM 0 H THR A 31 16.813 17.297 -23.784 1.00 51.32 H new ATOM 0 HA THR A 31 18.835 19.278 -23.264 1.00 10.31 H new ATOM 0 HB THR A 31 19.037 16.850 -25.076 1.00 54.21 H new ATOM 0 HG1 THR A 31 18.227 16.113 -23.082 1.00 13.14 H new ATOM 0 HG21 THR A 31 21.395 16.874 -24.351 1.00 15.12 H new ATOM 0 HG22 THR A 31 20.931 18.404 -25.132 1.00 15.12 H new ATOM 0 HG23 THR A 31 21.071 18.316 -23.360 1.00 15.12 H new ATOM 495 N SER A 32 17.452 18.975 -26.224 1.00 42.11 N ATOM 496 CA SER A 32 17.319 19.598 -27.536 1.00 33.02 C ATOM 497 C SER A 32 16.101 20.516 -27.580 1.00 32.21 C ATOM 498 O SER A 32 15.656 20.925 -28.653 1.00 53.30 O ATOM 499 CB SER A 32 17.204 18.528 -28.623 1.00 24.41 C ATOM 500 OG SER A 32 15.863 18.383 -29.058 1.00 4.33 O ATOM 0 H SER A 32 16.773 18.238 -26.036 1.00 42.11 H new ATOM 0 HA SER A 32 18.211 20.197 -27.719 1.00 33.02 H new ATOM 0 HB2 SER A 32 17.837 18.796 -29.469 1.00 24.41 H new ATOM 0 HB3 SER A 32 17.570 17.575 -28.240 1.00 24.41 H new ATOM 0 HG SER A 32 15.534 19.242 -29.397 1.00 4.33 H new ATOM 506 N LEU A 33 15.566 20.835 -26.407 1.00 11.14 N ATOM 507 CA LEU A 33 14.399 21.705 -26.309 1.00 51.11 C ATOM 508 C LEU A 33 14.727 23.113 -26.795 1.00 42.04 C ATOM 509 O LEU A 33 13.832 23.918 -27.049 1.00 31.15 O ATOM 510 CB LEU A 33 13.896 21.756 -24.866 1.00 14.25 C ATOM 511 CG LEU A 33 14.354 22.957 -24.037 1.00 53.11 C ATOM 512 CD1 LEU A 33 13.711 22.931 -22.659 1.00 50.31 C ATOM 513 CD2 LEU A 33 15.871 22.977 -23.920 1.00 32.42 C ATOM 0 H LEU A 33 15.922 20.504 -25.510 1.00 11.14 H new ATOM 0 HA LEU A 33 13.616 21.294 -26.946 1.00 51.11 H new ATOM 0 HB2 LEU A 33 12.806 21.745 -24.882 1.00 14.25 H new ATOM 0 HB3 LEU A 33 14.216 20.846 -24.358 1.00 14.25 H new ATOM 0 HG LEU A 33 14.037 23.867 -24.546 1.00 53.11 H new ATOM 0 HD11 LEU A 33 14.049 23.793 -22.084 1.00 50.31 H new ATOM 0 HD12 LEU A 33 12.627 22.966 -22.763 1.00 50.31 H new ATOM 0 HD13 LEU A 33 13.996 22.015 -22.142 1.00 50.31 H new ATOM 0 HD21 LEU A 33 16.179 23.838 -23.327 1.00 32.42 H new ATOM 0 HD22 LEU A 33 16.211 22.062 -23.435 1.00 32.42 H new ATOM 0 HD23 LEU A 33 16.312 23.045 -24.915 1.00 32.42 H new ATOM 525 N GLY A 34 16.018 23.403 -26.926 1.00 24.22 N ATOM 526 CA GLY A 34 16.442 24.713 -27.384 1.00 60.25 C ATOM 527 C GLY A 34 17.942 24.800 -27.583 1.00 42.42 C ATOM 528 O GLY A 34 18.572 23.843 -28.033 1.00 3.24 O ATOM 0 H GLY A 34 16.778 22.754 -26.723 1.00 24.22 H new ATOM 0 HA2 GLY A 34 15.940 24.946 -28.323 1.00 60.25 H new ATOM 0 HA3 GLY A 34 16.130 25.466 -26.660 1.00 60.25 H new HETATM 532 N NH2 A 35 18.535 25.836 -27.292 1.00 0.00 N TER 535 NH2 A 35