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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= -0.327 F(o=-2.5,f=-0.33) USER MOD Set 2.1: A 9 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=-0.098) USER MOD Set 2.2: 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 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 31 THR OG1 : rot 75:sc= 1.14 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.500 0.123 0.207 1.00 3.55 N ATOM 2 CA GLY A 1 2.233 0.167 -1.044 1.00 62.04 C ATOM 3 C GLY A 1 3.000 -1.113 -1.312 1.00 3.32 C ATOM 4 O GLY A 1 3.987 -1.405 -0.637 1.00 22.55 O ATOM 0 H1 GLY A 1 0.993 1.021 0.344 1.00 3.55 H new ATOM 0 H2 GLY A 1 0.817 -0.660 0.182 1.00 3.55 H new ATOM 0 H3 GLY A 1 2.164 -0.023 0.994 1.00 3.55 H new ATOM 0 HA2 GLY A 1 1.537 0.348 -1.863 1.00 62.04 H new ATOM 0 HA3 GLY A 1 2.928 1.006 -1.025 1.00 62.04 H new ATOM 10 N ASP A 2 2.546 -1.878 -2.298 1.00 13.10 N ATOM 11 CA ASP A 2 3.196 -3.134 -2.653 1.00 43.34 C ATOM 12 C ASP A 2 3.240 -3.314 -4.168 1.00 1.54 C ATOM 13 O ASP A 2 4.305 -3.238 -4.780 1.00 74.31 O ATOM 14 CB ASP A 2 2.465 -4.312 -2.008 1.00 60.04 C ATOM 15 CG ASP A 2 3.180 -5.630 -2.233 1.00 32.02 C ATOM 16 OD1 ASP A 2 3.369 -6.010 -3.407 1.00 61.34 O ATOM 17 OD2 ASP A 2 3.551 -6.281 -1.234 1.00 12.21 O1- ATOM 0 H ASP A 2 1.730 -1.650 -2.866 1.00 13.10 H new ATOM 0 HA ASP A 2 4.219 -3.103 -2.279 1.00 43.34 H new ATOM 0 HB2 ASP A 2 2.367 -4.133 -0.937 1.00 60.04 H new ATOM 0 HB3 ASP A 2 1.455 -4.376 -2.414 1.00 60.04 H new ATOM 22 N GLU A 3 2.076 -3.552 -4.764 1.00 62.31 N ATOM 23 CA GLU A 3 1.983 -3.745 -6.206 1.00 62.25 C ATOM 24 C GLU A 3 2.092 -2.412 -6.942 1.00 31.43 C ATOM 25 O GLU A 3 2.453 -2.368 -8.118 1.00 1.22 O ATOM 26 CB GLU A 3 0.665 -4.433 -6.567 1.00 61.25 C ATOM 27 CG GLU A 3 0.497 -5.801 -5.927 1.00 41.11 C ATOM 28 CD GLU A 3 -0.694 -6.560 -6.477 1.00 74.45 C ATOM 29 OE1 GLU A 3 -1.837 -6.217 -6.109 1.00 34.41 O ATOM 30 OE2 GLU A 3 -0.484 -7.497 -7.276 1.00 33.11 O1- ATOM 0 H GLU A 3 1.185 -3.616 -4.271 1.00 62.31 H new ATOM 0 HA GLU A 3 2.813 -4.380 -6.516 1.00 62.25 H new ATOM 0 HB2 GLU A 3 -0.164 -3.794 -6.262 1.00 61.25 H new ATOM 0 HB3 GLU A 3 0.605 -4.538 -7.650 1.00 61.25 H new ATOM 0 HG2 GLU A 3 1.402 -6.387 -6.088 1.00 41.11 H new ATOM 0 HG3 GLU A 3 0.381 -5.682 -4.850 1.00 41.11 H new ATOM 37 N ARG A 4 1.776 -1.329 -6.240 1.00 2.21 N ATOM 38 CA ARG A 4 1.838 0.005 -6.825 1.00 55.11 C ATOM 39 C ARG A 4 3.073 0.757 -6.337 1.00 73.52 C ATOM 40 O ARG A 4 3.295 1.911 -6.704 1.00 22.34 O ATOM 41 CB ARG A 4 0.575 0.796 -6.477 1.00 45.50 C ATOM 42 CG ARG A 4 -0.577 0.558 -7.439 1.00 13.44 C ATOM 43 CD ARG A 4 -1.911 0.935 -6.813 1.00 73.31 C ATOM 44 NE ARG A 4 -2.539 -0.199 -6.140 1.00 13.12 N ATOM 45 CZ ARG A 4 -3.767 -0.165 -5.634 1.00 72.12 C ATOM 46 NH1 ARG A 4 -4.495 0.939 -5.726 1.00 12.23 N1+ ATOM 47 NH2 ARG A 4 -4.269 -1.238 -5.036 1.00 15.20 N ATOM 0 H ARG A 4 1.475 -1.349 -5.266 1.00 2.21 H new ATOM 0 HA ARG A 4 1.905 -0.103 -7.908 1.00 55.11 H new ATOM 0 HB2 ARG A 4 0.256 0.530 -5.469 1.00 45.50 H new ATOM 0 HB3 ARG A 4 0.814 1.859 -6.466 1.00 45.50 H new ATOM 0 HG2 ARG A 4 -0.422 1.142 -8.346 1.00 13.44 H new ATOM 0 HG3 ARG A 4 -0.596 -0.491 -7.734 1.00 13.44 H new ATOM 0 HD2 ARG A 4 -1.760 1.743 -6.097 1.00 73.31 H new ATOM 0 HD3 ARG A 4 -2.580 1.314 -7.586 1.00 73.31 H new ATOM 0 HE ARG A 4 -2.006 -1.064 -6.054 1.00 13.12 H new ATOM 0 HH11 ARG A 4 -4.113 1.765 -6.186 1.00 12.23 H new ATOM 0 HH12 ARG A 4 -5.437 0.962 -5.337 1.00 12.23 H new ATOM 0 HH21 ARG A 4 -3.712 -2.090 -4.965 1.00 15.20 H new ATOM 0 HH22 ARG A 4 -5.212 -1.211 -4.648 1.00 15.20 H new ATOM 61 N PHE A 5 3.873 0.094 -5.508 1.00 53.22 N ATOM 62 CA PHE A 5 5.085 0.699 -4.969 1.00 41.42 C ATOM 63 C PHE A 5 6.321 -0.088 -5.394 1.00 22.11 C ATOM 64 O PHE A 5 7.423 0.457 -5.466 1.00 60.54 O ATOM 65 CB PHE A 5 5.010 0.769 -3.442 1.00 65.15 C ATOM 66 CG PHE A 5 4.351 2.018 -2.931 1.00 24.22 C ATOM 67 CD1 PHE A 5 3.079 2.368 -3.352 1.00 51.03 C ATOM 68 CD2 PHE A 5 5.005 2.842 -2.029 1.00 33.14 C ATOM 69 CE1 PHE A 5 2.469 3.516 -2.883 1.00 43.42 C ATOM 70 CE2 PHE A 5 4.400 3.991 -1.556 1.00 1.23 C ATOM 71 CZ PHE A 5 3.131 4.330 -1.984 1.00 64.54 C ATOM 0 H PHE A 5 3.704 -0.862 -5.195 1.00 53.22 H new ATOM 0 HA PHE A 5 5.165 1.710 -5.368 1.00 41.42 H new ATOM 0 HB2 PHE A 5 4.462 -0.098 -3.073 1.00 65.15 H new ATOM 0 HB3 PHE A 5 6.019 0.707 -3.033 1.00 65.15 H new ATOM 0 HD1 PHE A 5 2.557 1.736 -4.055 1.00 51.03 H new ATOM 0 HD2 PHE A 5 5.998 2.584 -1.692 1.00 33.14 H new ATOM 0 HE1 PHE A 5 1.476 3.777 -3.219 1.00 43.42 H new ATOM 0 HE2 PHE A 5 4.919 4.624 -0.852 1.00 1.23 H new ATOM 0 HZ PHE A 5 2.658 5.229 -1.617 1.00 64.54 H new ATOM 81 N TYR A 6 6.130 -1.373 -5.673 1.00 13.43 N ATOM 82 CA TYR A 6 7.229 -2.237 -6.086 1.00 53.04 C ATOM 83 C TYR A 6 7.258 -2.392 -7.604 1.00 23.12 C ATOM 84 O TYR A 6 8.271 -2.791 -8.178 1.00 73.24 O ATOM 85 CB TYR A 6 7.102 -3.610 -5.425 1.00 21.24 C ATOM 86 CG TYR A 6 7.054 -3.552 -3.914 1.00 71.55 C ATOM 87 CD1 TYR A 6 7.671 -2.520 -3.219 1.00 45.13 C ATOM 88 CD2 TYR A 6 6.392 -4.531 -3.183 1.00 10.42 C ATOM 89 CE1 TYR A 6 7.631 -2.463 -1.840 1.00 32.35 C ATOM 90 CE2 TYR A 6 6.345 -4.481 -1.803 1.00 71.21 C ATOM 91 CZ TYR A 6 6.966 -3.446 -1.136 1.00 51.10 C ATOM 92 OH TYR A 6 6.923 -3.394 0.238 1.00 15.14 O ATOM 0 H TYR A 6 5.224 -1.839 -5.621 1.00 13.43 H new ATOM 0 HA TYR A 6 8.162 -1.773 -5.768 1.00 53.04 H new ATOM 0 HB2 TYR A 6 6.198 -4.098 -5.791 1.00 21.24 H new ATOM 0 HB3 TYR A 6 7.945 -4.230 -5.730 1.00 21.24 H new ATOM 0 HD1 TYR A 6 8.191 -1.748 -3.767 1.00 45.13 H new ATOM 0 HD2 TYR A 6 5.906 -5.344 -3.702 1.00 10.42 H new ATOM 0 HE1 TYR A 6 8.117 -1.654 -1.315 1.00 32.35 H new ATOM 0 HE2 TYR A 6 5.825 -5.249 -1.250 1.00 71.21 H new ATOM 0 HH TYR A 6 6.415 -4.160 0.579 1.00 15.14 H new ATOM 102 N ALA A 7 6.140 -2.073 -8.247 1.00 11.44 N ATOM 103 CA ALA A 7 6.037 -2.174 -9.697 1.00 51.41 C ATOM 104 C ALA A 7 5.772 -0.810 -10.325 1.00 15.40 C ATOM 105 O ALA A 7 6.073 -0.587 -11.497 1.00 2.01 O ATOM 106 CB ALA A 7 4.940 -3.156 -10.081 1.00 43.01 C ATOM 0 H ALA A 7 5.292 -1.742 -7.786 1.00 11.44 H new ATOM 0 HA ALA A 7 6.989 -2.542 -10.079 1.00 51.41 H new ATOM 0 HB1 ALA A 7 4.874 -3.222 -11.167 1.00 43.01 H new ATOM 0 HB2 ALA A 7 5.172 -4.139 -9.672 1.00 43.01 H new ATOM 0 HB3 ALA A 7 3.987 -2.812 -9.680 1.00 43.01 H new ATOM 112 N GLU A 8 5.205 0.099 -9.537 1.00 51.24 N ATOM 113 CA GLU A 8 4.897 1.441 -10.019 1.00 32.32 C ATOM 114 C GLU A 8 5.911 2.453 -9.494 1.00 13.30 C ATOM 115 O GLU A 8 5.938 3.604 -9.931 1.00 4.44 O ATOM 116 CB GLU A 8 3.485 1.848 -9.592 1.00 40.10 C ATOM 117 CG GLU A 8 2.617 2.330 -10.742 1.00 51.30 C ATOM 118 CD GLU A 8 3.126 3.620 -11.357 1.00 21.43 C ATOM 119 OE1 GLU A 8 2.942 4.686 -10.734 1.00 15.31 O ATOM 120 OE2 GLU A 8 3.708 3.562 -12.460 1.00 4.23 O1- ATOM 0 H GLU A 8 4.950 -0.069 -8.564 1.00 51.24 H new ATOM 0 HA GLU A 8 4.951 1.430 -11.108 1.00 32.32 H new ATOM 0 HB2 GLU A 8 3.000 0.997 -9.113 1.00 40.10 H new ATOM 0 HB3 GLU A 8 3.554 2.638 -8.844 1.00 40.10 H new ATOM 0 HG2 GLU A 8 2.576 1.557 -11.510 1.00 51.30 H new ATOM 0 HG3 GLU A 8 1.598 2.479 -10.385 1.00 51.30 H new ATOM 127 N HIS A 9 6.742 2.016 -8.554 1.00 4.14 N ATOM 128 CA HIS A 9 7.758 2.884 -7.968 1.00 62.30 C ATOM 129 C HIS A 9 9.134 2.228 -8.030 1.00 64.23 C ATOM 130 O HIS A 9 10.074 2.668 -7.366 1.00 70.23 O ATOM 131 CB HIS A 9 7.403 3.214 -6.518 1.00 71.20 C ATOM 132 CG HIS A 9 7.577 4.661 -6.173 1.00 72.13 C ATOM 133 ND1 HIS A 9 8.629 5.423 -6.635 1.00 52.42 N ATOM 134 CD2 HIS A 9 6.824 5.485 -5.408 1.00 51.42 C ATOM 135 CE1 HIS A 9 8.516 6.654 -6.168 1.00 25.14 C ATOM 136 NE2 HIS A 9 7.429 6.718 -5.420 1.00 41.05 N ATOM 0 H HIS A 9 6.732 1.067 -8.181 1.00 4.14 H new ATOM 0 HA HIS A 9 7.788 3.808 -8.546 1.00 62.30 H new ATOM 0 HB2 HIS A 9 6.368 2.926 -6.331 1.00 71.20 H new ATOM 0 HB3 HIS A 9 8.025 2.613 -5.855 1.00 71.20 H new ATOM 0 HD2 HIS A 9 5.916 5.222 -4.885 1.00 51.42 H new ATOM 0 HE1 HIS A 9 9.197 7.469 -6.364 1.00 25.14 H new ATOM 0 HE2 HIS A 9 7.094 7.548 -4.931 1.00 41.05 H new ATOM 144 N LEU A 10 9.246 1.174 -8.831 1.00 21.42 N ATOM 145 CA LEU A 10 10.507 0.456 -8.979 1.00 24.31 C ATOM 146 C LEU A 10 10.836 0.231 -10.451 1.00 64.12 C ATOM 147 O LEU A 10 11.979 0.403 -10.875 1.00 53.43 O ATOM 148 CB LEU A 10 10.442 -0.887 -8.248 1.00 54.25 C ATOM 149 CG LEU A 10 11.733 -1.347 -7.572 1.00 45.11 C ATOM 150 CD1 LEU A 10 11.434 -2.379 -6.496 1.00 63.54 C ATOM 151 CD2 LEU A 10 12.702 -1.911 -8.601 1.00 24.21 C ATOM 0 H LEU A 10 8.479 0.798 -9.388 1.00 21.42 H new ATOM 0 HA LEU A 10 11.296 1.065 -8.538 1.00 24.31 H new ATOM 0 HB2 LEU A 10 9.660 -0.828 -7.491 1.00 54.25 H new ATOM 0 HB3 LEU A 10 10.137 -1.652 -8.962 1.00 54.25 H new ATOM 0 HG LEU A 10 12.200 -0.484 -7.098 1.00 45.11 H new ATOM 0 HD11 LEU A 10 12.365 -2.695 -6.026 1.00 63.54 H new ATOM 0 HD12 LEU A 10 10.778 -1.941 -5.744 1.00 63.54 H new ATOM 0 HD13 LEU A 10 10.944 -3.242 -6.946 1.00 63.54 H new ATOM 0 HD21 LEU A 10 13.616 -2.234 -8.102 1.00 24.21 H new ATOM 0 HD22 LEU A 10 12.244 -2.762 -9.104 1.00 24.21 H new ATOM 0 HD23 LEU A 10 12.942 -1.142 -9.335 1.00 24.21 H new ATOM 163 N MET A 11 9.827 -0.153 -11.226 1.00 0.02 N ATOM 164 CA MET A 11 10.009 -0.398 -12.652 1.00 20.52 C ATOM 165 C MET A 11 10.281 0.904 -13.397 1.00 52.24 C ATOM 166 O MET A 11 11.324 1.081 -14.026 1.00 42.34 O ATOM 167 CB MET A 11 8.772 -1.085 -13.235 1.00 24.02 C ATOM 168 CG MET A 11 9.069 -2.432 -13.873 1.00 24.30 C ATOM 169 SD MET A 11 10.311 -2.325 -15.176 1.00 25.04 S ATOM 170 CE MET A 11 10.709 -4.056 -15.408 1.00 32.01 C ATOM 0 H MET A 11 8.875 -0.301 -10.891 1.00 0.02 H new ATOM 0 HA MET A 11 10.871 -1.053 -12.776 1.00 20.52 H new ATOM 0 HB2 MET A 11 8.035 -1.222 -12.443 1.00 24.02 H new ATOM 0 HB3 MET A 11 8.321 -0.431 -13.981 1.00 24.02 H new ATOM 0 HG2 MET A 11 9.412 -3.125 -13.105 1.00 24.30 H new ATOM 0 HG3 MET A 11 8.149 -2.845 -14.287 1.00 24.30 H new ATOM 0 HE1 MET A 11 11.467 -4.154 -16.186 1.00 32.01 H new ATOM 0 HE2 MET A 11 11.091 -4.470 -14.475 1.00 32.01 H new ATOM 0 HE3 MET A 11 9.812 -4.599 -15.705 1.00 32.01 H new ATOM 180 N PRO A 12 9.321 1.839 -13.327 1.00 70.44 N ATOM 181 CA PRO A 12 9.435 3.141 -13.990 1.00 14.31 C ATOM 182 C PRO A 12 10.486 4.033 -13.339 1.00 25.10 C ATOM 183 O PRO A 12 10.811 5.105 -13.851 1.00 73.24 O ATOM 184 CB PRO A 12 8.040 3.748 -13.820 1.00 53.41 C ATOM 185 CG PRO A 12 7.485 3.088 -12.605 1.00 55.24 C ATOM 186 CD PRO A 12 8.051 1.695 -12.596 1.00 2.45 C ATOM 0 HA PRO A 12 9.749 3.043 -15.029 1.00 14.31 H new ATOM 0 HB2 PRO A 12 8.092 4.830 -13.694 1.00 53.41 H new ATOM 0 HB3 PRO A 12 7.416 3.558 -14.694 1.00 53.41 H new ATOM 0 HG2 PRO A 12 7.768 3.630 -11.703 1.00 55.24 H new ATOM 0 HG3 PRO A 12 6.396 3.067 -12.636 1.00 55.24 H new ATOM 0 HD2 PRO A 12 8.211 1.333 -11.581 1.00 2.45 H new ATOM 0 HD3 PRO A 12 7.383 0.987 -13.086 1.00 2.45 H new ATOM 194 N THR A 13 11.018 3.584 -12.206 1.00 71.52 N ATOM 195 CA THR A 13 12.033 4.341 -11.485 1.00 62.41 C ATOM 196 C THR A 13 13.429 3.796 -11.767 1.00 33.33 C ATOM 197 O THR A 13 14.338 4.545 -12.127 1.00 31.41 O ATOM 198 CB THR A 13 11.781 4.314 -9.966 1.00 33.42 C ATOM 199 OG1 THR A 13 10.597 5.056 -9.653 1.00 2.34 O ATOM 200 CG2 THR A 13 12.966 4.896 -9.210 1.00 33.40 C ATOM 0 H THR A 13 10.762 2.699 -11.768 1.00 71.52 H new ATOM 0 HA THR A 13 11.969 5.370 -11.838 1.00 62.41 H new ATOM 0 HB THR A 13 11.650 3.276 -9.660 1.00 33.42 H new ATOM 0 HG1 THR A 13 10.111 4.607 -8.931 1.00 2.34 H new ATOM 0 HG21 THR A 13 12.765 4.866 -8.139 1.00 33.40 H new ATOM 0 HG22 THR A 13 13.859 4.311 -9.428 1.00 33.40 H new ATOM 0 HG23 THR A 13 13.124 5.929 -9.521 1.00 33.40 H new ATOM 208 N LEU A 14 13.592 2.488 -11.601 1.00 64.23 N ATOM 209 CA LEU A 14 14.878 1.841 -11.840 1.00 2.41 C ATOM 210 C LEU A 14 15.074 1.550 -13.324 1.00 41.23 C ATOM 211 O LEU A 14 16.202 1.402 -13.793 1.00 62.42 O ATOM 212 CB LEU A 14 14.976 0.543 -11.037 1.00 14.34 C ATOM 213 CG LEU A 14 16.309 0.288 -10.332 1.00 54.41 C ATOM 214 CD1 LEU A 14 16.076 -0.183 -8.905 1.00 24.10 C ATOM 215 CD2 LEU A 14 17.134 -0.730 -11.105 1.00 31.23 C ATOM 0 H LEU A 14 12.850 1.855 -11.302 1.00 64.23 H new ATOM 0 HA LEU A 14 15.665 2.522 -11.515 1.00 2.41 H new ATOM 0 HB2 LEU A 14 14.185 0.543 -10.287 1.00 14.34 H new ATOM 0 HB3 LEU A 14 14.778 -0.292 -11.709 1.00 14.34 H new ATOM 0 HG LEU A 14 16.865 1.225 -10.297 1.00 54.41 H new ATOM 0 HD11 LEU A 14 17.035 -0.359 -8.419 1.00 24.10 H new ATOM 0 HD12 LEU A 14 15.526 0.580 -8.355 1.00 24.10 H new ATOM 0 HD13 LEU A 14 15.500 -1.108 -8.917 1.00 24.10 H new ATOM 0 HD21 LEU A 14 18.079 -0.899 -10.589 1.00 31.23 H new ATOM 0 HD22 LEU A 14 16.584 -1.669 -11.172 1.00 31.23 H new ATOM 0 HD23 LEU A 14 17.331 -0.352 -12.108 1.00 31.23 H new ATOM 227 N GLN A 15 13.968 1.472 -14.058 1.00 4.23 N ATOM 228 CA GLN A 15 14.020 1.201 -15.489 1.00 74.34 C ATOM 229 C GLN A 15 13.180 2.210 -16.265 1.00 53.02 C ATOM 230 O GLN A 15 12.426 1.844 -17.166 1.00 62.30 O ATOM 231 CB GLN A 15 13.528 -0.219 -15.779 1.00 3.24 C ATOM 232 CG GLN A 15 14.468 -1.302 -15.275 1.00 64.24 C ATOM 233 CD GLN A 15 13.862 -2.128 -14.158 1.00 3.12 C ATOM 234 OE1 GLN A 15 13.239 -1.457 -13.196 1.00 42.10 O flip ATOM 235 NE2 GLN A 15 13.953 -3.356 -14.158 1.00 41.44 N flip ATOM 0 H GLN A 15 13.026 1.593 -13.685 1.00 4.23 H new ATOM 0 HA GLN A 15 15.057 1.293 -15.813 1.00 74.34 H new ATOM 0 HB2 GLN A 15 12.549 -0.356 -15.320 1.00 3.24 H new ATOM 0 HB3 GLN A 15 13.395 -0.336 -16.854 1.00 3.24 H new ATOM 0 HG2 GLN A 15 14.736 -1.959 -16.103 1.00 64.24 H new ATOM 0 HG3 GLN A 15 15.390 -0.841 -14.922 1.00 64.24 H new ATOM 0 HE21 GLN A 15 14.441 -3.831 -14.917 1.00 41.44 H new ATOM 0 HE22 GLN A 15 13.541 -3.898 -13.399 1.00 41.44 H new ATOM 244 N GLY A 16 13.315 3.484 -15.909 1.00 31.25 N ATOM 245 CA GLY A 16 12.561 4.526 -16.580 1.00 13.22 C ATOM 246 C GLY A 16 13.135 5.907 -16.334 1.00 43.32 C ATOM 247 O GLY A 16 13.116 6.763 -17.220 1.00 73.33 O ATOM 0 H GLY A 16 13.933 3.813 -15.167 1.00 31.25 H new ATOM 0 HA2 GLY A 16 12.547 4.327 -17.652 1.00 13.22 H new ATOM 0 HA3 GLY A 16 11.527 4.500 -16.237 1.00 13.22 H new ATOM 251 N LEU A 17 13.647 6.127 -15.128 1.00 50.42 N ATOM 252 CA LEU A 17 14.229 7.416 -14.767 1.00 74.34 C ATOM 253 C LEU A 17 15.683 7.502 -15.219 1.00 51.30 C ATOM 254 O LEU A 17 16.340 8.529 -15.039 1.00 60.54 O ATOM 255 CB LEU A 17 14.138 7.633 -13.256 1.00 22.21 C ATOM 256 CG LEU A 17 12.741 7.912 -12.700 1.00 43.33 C ATOM 257 CD1 LEU A 17 12.802 8.150 -11.199 1.00 54.24 C ATOM 258 CD2 LEU A 17 12.115 9.106 -13.407 1.00 24.03 C ATOM 0 H LEU A 17 13.671 5.430 -14.384 1.00 50.42 H new ATOM 0 HA LEU A 17 13.664 8.198 -15.274 1.00 74.34 H new ATOM 0 HB2 LEU A 17 14.535 6.749 -12.758 1.00 22.21 H new ATOM 0 HB3 LEU A 17 14.786 8.468 -12.989 1.00 22.21 H new ATOM 0 HG LEU A 17 12.116 7.038 -12.883 1.00 43.33 H new ATOM 0 HD11 LEU A 17 11.799 8.347 -10.821 1.00 54.24 H new ATOM 0 HD12 LEU A 17 13.208 7.267 -10.707 1.00 54.24 H new ATOM 0 HD13 LEU A 17 13.442 9.007 -10.992 1.00 54.24 H new ATOM 0 HD21 LEU A 17 11.121 9.290 -12.999 1.00 24.03 H new ATOM 0 HD22 LEU A 17 12.739 9.987 -13.255 1.00 24.03 H new ATOM 0 HD23 LEU A 17 12.036 8.897 -14.474 1.00 24.03 H new ATOM 270 N LEU A 18 16.179 6.420 -15.808 1.00 24.13 N ATOM 271 CA LEU A 18 17.556 6.374 -16.288 1.00 22.41 C ATOM 272 C LEU A 18 17.719 5.313 -17.372 1.00 45.31 C ATOM 273 O LEU A 18 18.816 4.798 -17.590 1.00 61.04 O ATOM 274 CB LEU A 18 18.512 6.086 -15.129 1.00 30.52 C ATOM 275 CG LEU A 18 17.908 5.361 -13.925 1.00 41.12 C ATOM 276 CD1 LEU A 18 17.417 3.979 -14.325 1.00 60.45 C ATOM 277 CD2 LEU A 18 18.925 5.262 -12.797 1.00 52.12 C ATOM 0 H LEU A 18 15.649 5.563 -15.965 1.00 24.13 H new ATOM 0 HA LEU A 18 17.798 7.346 -16.717 1.00 22.41 H new ATOM 0 HB2 LEU A 18 19.342 5.489 -15.508 1.00 30.52 H new ATOM 0 HB3 LEU A 18 18.930 7.032 -14.786 1.00 30.52 H new ATOM 0 HG LEU A 18 17.055 5.938 -13.569 1.00 41.12 H new ATOM 0 HD11 LEU A 18 16.991 3.479 -13.456 1.00 60.45 H new ATOM 0 HD12 LEU A 18 16.655 4.073 -15.099 1.00 60.45 H new ATOM 0 HD13 LEU A 18 18.252 3.393 -14.708 1.00 60.45 H new ATOM 0 HD21 LEU A 18 18.478 4.743 -11.949 1.00 52.12 H new ATOM 0 HD22 LEU A 18 19.798 4.708 -13.142 1.00 52.12 H new ATOM 0 HD23 LEU A 18 19.228 6.263 -12.491 1.00 52.12 H new ATOM 289 N ASP A 19 16.622 4.994 -18.050 1.00 24.23 N ATOM 290 CA ASP A 19 16.644 3.998 -19.115 1.00 23.34 C ATOM 291 C ASP A 19 17.144 4.609 -20.420 1.00 60.20 C ATOM 292 O ASP A 19 16.949 5.793 -20.694 1.00 51.03 O ATOM 293 CB ASP A 19 15.249 3.404 -19.316 1.00 0.51 C ATOM 294 CG ASP A 19 15.110 2.028 -18.696 1.00 2.02 C ATOM 295 OD1 ASP A 19 14.145 1.315 -19.043 1.00 63.13 O ATOM 296 OD2 ASP A 19 15.967 1.663 -17.864 1.00 12.52 O1- ATOM 0 H ASP A 19 15.706 5.411 -17.881 1.00 24.23 H new ATOM 0 HA ASP A 19 17.329 3.203 -18.821 1.00 23.34 H new ATOM 0 HB2 ASP A 19 14.507 4.072 -18.880 1.00 0.51 H new ATOM 0 HB3 ASP A 19 15.034 3.342 -20.383 1.00 0.51 H new ATOM 301 N PRO A 20 17.805 3.784 -21.245 1.00 25.40 N ATOM 302 CA PRO A 20 18.347 4.221 -22.535 1.00 25.11 C ATOM 303 C PRO A 20 17.252 4.519 -23.553 1.00 1.21 C ATOM 304 O PRO A 20 17.527 5.006 -24.649 1.00 24.01 O ATOM 305 CB PRO A 20 19.189 3.026 -22.990 1.00 30.24 C ATOM 306 CG PRO A 20 18.581 1.851 -22.304 1.00 13.41 C ATOM 307 CD PRO A 20 18.075 2.360 -20.982 1.00 73.13 C ATOM 0 HA PRO A 20 18.912 5.149 -22.446 1.00 25.11 H new ATOM 0 HB2 PRO A 20 19.160 2.911 -24.073 1.00 30.24 H new ATOM 0 HB3 PRO A 20 20.235 3.150 -22.711 1.00 30.24 H new ATOM 0 HG2 PRO A 20 17.769 1.430 -22.897 1.00 13.41 H new ATOM 0 HG3 PRO A 20 19.316 1.059 -22.162 1.00 13.41 H new ATOM 0 HD2 PRO A 20 17.175 1.832 -20.666 1.00 73.13 H new ATOM 0 HD3 PRO A 20 18.815 2.231 -20.192 1.00 73.13 H new ATOM 315 N GLU A 21 16.010 4.224 -23.182 1.00 51.23 N ATOM 316 CA GLU A 21 14.873 4.463 -24.064 1.00 64.33 C ATOM 317 C GLU A 21 13.815 5.315 -23.370 1.00 21.13 C ATOM 318 O GLU A 21 13.032 6.004 -24.022 1.00 53.44 O ATOM 319 CB GLU A 21 14.260 3.135 -24.513 1.00 64.43 C ATOM 320 CG GLU A 21 14.095 2.129 -23.386 1.00 62.35 C ATOM 321 CD GLU A 21 13.596 0.783 -23.875 1.00 34.24 C ATOM 322 OE1 GLU A 21 14.325 0.124 -24.646 1.00 13.14 O ATOM 323 OE2 GLU A 21 12.476 0.388 -23.486 1.00 43.32 O1- ATOM 0 H GLU A 21 15.766 3.820 -22.278 1.00 51.23 H new ATOM 0 HA GLU A 21 15.233 5.004 -24.939 1.00 64.33 H new ATOM 0 HB2 GLU A 21 13.286 3.328 -24.962 1.00 64.43 H new ATOM 0 HB3 GLU A 21 14.888 2.698 -25.289 1.00 64.43 H new ATOM 0 HG2 GLU A 21 15.051 1.996 -22.880 1.00 62.35 H new ATOM 0 HG3 GLU A 21 13.397 2.526 -22.649 1.00 62.35 H new ATOM 330 N SER A 22 13.799 5.261 -22.042 1.00 13.23 N ATOM 331 CA SER A 22 12.834 6.024 -21.258 1.00 23.12 C ATOM 332 C SER A 22 13.445 7.334 -20.770 1.00 43.23 C ATOM 333 O SER A 22 12.808 8.386 -20.822 1.00 22.24 O ATOM 334 CB SER A 22 12.349 5.199 -20.064 1.00 42.01 C ATOM 335 OG SER A 22 10.974 4.880 -20.190 1.00 24.41 O ATOM 0 H SER A 22 14.443 4.697 -21.487 1.00 13.23 H new ATOM 0 HA SER A 22 11.984 6.256 -21.900 1.00 23.12 H new ATOM 0 HB2 SER A 22 12.933 4.282 -19.990 1.00 42.01 H new ATOM 0 HB3 SER A 22 12.513 5.756 -19.142 1.00 42.01 H new ATOM 0 HG SER A 22 10.689 4.351 -19.416 1.00 24.41 H new ATOM 341 N ALA A 23 14.685 7.262 -20.297 1.00 62.43 N ATOM 342 CA ALA A 23 15.384 8.441 -19.801 1.00 72.23 C ATOM 343 C ALA A 23 16.027 9.219 -20.944 1.00 62.00 C ATOM 344 O ALA A 23 16.190 10.437 -20.865 1.00 1.03 O ATOM 345 CB ALA A 23 16.434 8.040 -18.776 1.00 61.31 C ATOM 0 H ALA A 23 15.226 6.399 -20.247 1.00 62.43 H new ATOM 0 HA ALA A 23 14.653 9.091 -19.320 1.00 72.23 H new ATOM 0 HB1 ALA A 23 16.948 8.930 -18.414 1.00 61.31 H new ATOM 0 HB2 ALA A 23 15.951 7.535 -17.939 1.00 61.31 H new ATOM 0 HB3 ALA A 23 17.156 7.367 -19.239 1.00 61.31 H new ATOM 351 N HIS A 24 16.392 8.508 -22.006 1.00 50.13 N ATOM 352 CA HIS A 24 17.019 9.133 -23.166 1.00 30.23 C ATOM 353 C HIS A 24 16.006 9.962 -23.950 1.00 63.42 C ATOM 354 O HIS A 24 16.337 11.021 -24.483 1.00 71.15 O ATOM 355 CB HIS A 24 17.637 8.069 -24.073 1.00 73.51 C ATOM 356 CG HIS A 24 17.402 8.315 -25.532 1.00 13.24 C ATOM 357 ND1 HIS A 24 18.274 9.032 -26.324 1.00 33.32 N ATOM 358 CD2 HIS A 24 16.386 7.934 -26.342 1.00 3.35 C ATOM 359 CE1 HIS A 24 17.804 9.082 -27.557 1.00 51.55 C ATOM 360 NE2 HIS A 24 16.660 8.424 -27.595 1.00 72.31 N ATOM 0 H HIS A 24 16.265 7.499 -22.088 1.00 50.13 H new ATOM 0 HA HIS A 24 17.807 9.797 -22.809 1.00 30.23 H new ATOM 0 HB2 HIS A 24 18.710 8.025 -23.889 1.00 73.51 H new ATOM 0 HB3 HIS A 24 17.228 7.094 -23.807 1.00 73.51 H new ATOM 0 HD2 HIS A 24 15.522 7.353 -26.056 1.00 3.35 H new ATOM 0 HE1 HIS A 24 18.276 9.577 -28.393 1.00 51.55 H new ATOM 0 HE2 HIS A 24 16.075 8.300 -28.421 1.00 72.31 H new ATOM 368 N ARG A 25 14.773 9.472 -24.017 1.00 33.13 N ATOM 369 CA ARG A 25 13.713 10.166 -24.738 1.00 11.31 C ATOM 370 C ARG A 25 13.249 11.400 -23.968 1.00 63.42 C ATOM 371 O ARG A 25 12.994 12.452 -24.556 1.00 21.33 O ATOM 372 CB ARG A 25 12.530 9.227 -24.977 1.00 75.24 C ATOM 373 CG ARG A 25 11.933 8.660 -23.699 1.00 44.03 C ATOM 374 CD ARG A 25 10.749 7.752 -23.992 1.00 24.22 C ATOM 375 NE ARG A 25 9.482 8.476 -23.957 1.00 11.43 N ATOM 376 CZ ARG A 25 8.294 7.881 -23.977 1.00 4.40 C ATOM 377 NH1 ARG A 25 8.213 6.559 -24.031 1.00 55.25 N1+ ATOM 378 NH2 ARG A 25 7.186 8.609 -23.942 1.00 55.43 N ATOM 0 H ARG A 25 14.483 8.597 -23.581 1.00 33.13 H new ATOM 0 HA ARG A 25 14.113 10.488 -25.700 1.00 11.31 H new ATOM 0 HB2 ARG A 25 11.755 9.765 -25.522 1.00 75.24 H new ATOM 0 HB3 ARG A 25 12.854 8.403 -25.613 1.00 75.24 H new ATOM 0 HG2 ARG A 25 12.696 8.101 -23.157 1.00 44.03 H new ATOM 0 HG3 ARG A 25 11.615 9.477 -23.051 1.00 44.03 H new ATOM 0 HD2 ARG A 25 10.878 7.294 -24.973 1.00 24.22 H new ATOM 0 HD3 ARG A 25 10.724 6.942 -23.263 1.00 24.22 H new ATOM 0 HE ARG A 25 9.510 9.495 -23.915 1.00 11.43 H new ATOM 0 HH11 ARG A 25 9.064 5.997 -24.057 1.00 55.25 H new ATOM 0 HH12 ARG A 25 7.300 6.104 -24.046 1.00 55.25 H new ATOM 0 HH21 ARG A 25 7.245 9.626 -23.900 1.00 55.43 H new ATOM 0 HH22 ARG A 25 6.274 8.152 -23.957 1.00 55.43 H new ATOM 392 N LEU A 26 13.142 11.263 -22.651 1.00 72.33 N ATOM 393 CA LEU A 26 12.709 12.366 -21.800 1.00 63.31 C ATOM 394 C LEU A 26 13.833 13.379 -21.609 1.00 42.22 C ATOM 395 O LEU A 26 13.589 14.531 -21.251 1.00 44.00 O ATOM 396 CB LEU A 26 12.248 11.837 -20.441 1.00 70.41 C ATOM 397 CG LEU A 26 10.884 12.330 -19.956 1.00 43.14 C ATOM 398 CD1 LEU A 26 10.442 11.553 -18.727 1.00 35.34 C ATOM 399 CD2 LEU A 26 10.932 13.822 -19.658 1.00 71.42 C ATOM 0 H LEU A 26 13.349 10.399 -22.149 1.00 72.33 H new ATOM 0 HA LEU A 26 11.874 12.865 -22.291 1.00 63.31 H new ATOM 0 HB2 LEU A 26 12.223 10.748 -20.487 1.00 70.41 H new ATOM 0 HB3 LEU A 26 12.996 12.108 -19.696 1.00 70.41 H new ATOM 0 HG LEU A 26 10.155 12.161 -20.748 1.00 43.14 H new ATOM 0 HD11 LEU A 26 9.470 11.918 -18.396 1.00 35.34 H new ATOM 0 HD12 LEU A 26 10.368 10.494 -18.973 1.00 35.34 H new ATOM 0 HD13 LEU A 26 11.171 11.689 -17.929 1.00 35.34 H new ATOM 0 HD21 LEU A 26 9.953 14.156 -19.314 1.00 71.42 H new ATOM 0 HD22 LEU A 26 11.674 14.015 -18.883 1.00 71.42 H new ATOM 0 HD23 LEU A 26 11.203 14.365 -20.563 1.00 71.42 H new ATOM 411 N ALA A 27 15.064 12.943 -21.853 1.00 25.40 N ATOM 412 CA ALA A 27 16.225 13.813 -21.712 1.00 24.42 C ATOM 413 C ALA A 27 16.559 14.502 -23.031 1.00 32.53 C ATOM 414 O ALA A 27 16.732 15.719 -23.080 1.00 53.43 O ATOM 415 CB ALA A 27 17.423 13.018 -21.212 1.00 32.12 C ATOM 0 H ALA A 27 15.283 11.992 -22.149 1.00 25.40 H new ATOM 0 HA ALA A 27 15.983 14.584 -20.981 1.00 24.42 H new ATOM 0 HB1 ALA A 27 18.283 13.680 -21.111 1.00 32.12 H new ATOM 0 HB2 ALA A 27 17.189 12.578 -20.243 1.00 32.12 H new ATOM 0 HB3 ALA A 27 17.657 12.226 -21.923 1.00 32.12 H new ATOM 421 N VAL A 28 16.648 13.714 -24.098 1.00 45.42 N ATOM 422 CA VAL A 28 16.963 14.249 -25.418 1.00 34.32 C ATOM 423 C VAL A 28 16.041 15.410 -25.774 1.00 61.33 C ATOM 424 O VAL A 28 16.449 16.354 -26.450 1.00 51.33 O ATOM 425 CB VAL A 28 16.847 13.164 -26.505 1.00 21.42 C ATOM 426 CG1 VAL A 28 15.406 12.697 -26.643 1.00 51.52 C ATOM 427 CG2 VAL A 28 17.378 13.682 -27.833 1.00 25.43 C ATOM 0 H VAL A 28 16.507 12.704 -24.074 1.00 45.42 H new ATOM 0 HA VAL A 28 17.992 14.605 -25.379 1.00 34.32 H new ATOM 0 HB VAL A 28 17.453 12.309 -26.206 1.00 21.42 H new ATOM 0 HG11 VAL A 28 15.344 11.931 -27.416 1.00 51.52 H new ATOM 0 HG12 VAL A 28 15.065 12.284 -25.694 1.00 51.52 H new ATOM 0 HG13 VAL A 28 14.775 13.542 -26.919 1.00 51.52 H new ATOM 0 HG21 VAL A 28 17.288 12.903 -28.590 1.00 25.43 H new ATOM 0 HG22 VAL A 28 16.801 14.554 -28.140 1.00 25.43 H new ATOM 0 HG23 VAL A 28 18.426 13.961 -27.722 1.00 25.43 H new ATOM 437 N ARG A 29 14.796 15.333 -25.315 1.00 24.33 N ATOM 438 CA ARG A 29 13.816 16.376 -25.587 1.00 14.43 C ATOM 439 C ARG A 29 14.188 17.672 -24.872 1.00 41.11 C ATOM 440 O ARG A 29 14.015 18.764 -25.414 1.00 14.13 O ATOM 441 CB ARG A 29 12.422 15.923 -25.149 1.00 33.40 C ATOM 442 CG ARG A 29 12.363 15.436 -23.710 1.00 44.41 C ATOM 443 CD ARG A 29 10.940 15.102 -23.292 1.00 50.42 C ATOM 444 NE ARG A 29 10.101 16.295 -23.204 1.00 23.31 N ATOM 445 CZ ARG A 29 8.971 16.348 -22.509 1.00 13.14 C ATOM 446 NH1 ARG A 29 8.546 15.282 -21.844 1.00 41.23 N1+ ATOM 447 NH2 ARG A 29 8.263 17.470 -22.477 1.00 35.25 N ATOM 0 H ARG A 29 14.443 14.559 -24.753 1.00 24.33 H new ATOM 0 HA ARG A 29 13.810 16.562 -26.661 1.00 14.43 H new ATOM 0 HB2 ARG A 29 11.725 16.752 -25.272 1.00 33.40 H new ATOM 0 HB3 ARG A 29 12.086 15.123 -25.808 1.00 33.40 H new ATOM 0 HG2 ARG A 29 12.993 14.554 -23.597 1.00 44.41 H new ATOM 0 HG3 ARG A 29 12.767 16.202 -23.049 1.00 44.41 H new ATOM 0 HD2 ARG A 29 10.506 14.405 -24.009 1.00 50.42 H new ATOM 0 HD3 ARG A 29 10.955 14.597 -22.326 1.00 50.42 H new ATOM 0 HE ARG A 29 10.400 17.133 -23.704 1.00 23.31 H new ATOM 0 HH11 ARG A 29 9.088 14.418 -21.866 1.00 41.23 H new ATOM 0 HH12 ARG A 29 7.677 15.326 -21.311 1.00 41.23 H new ATOM 0 HH21 ARG A 29 8.587 18.292 -22.987 1.00 35.25 H new ATOM 0 HH22 ARG A 29 7.395 17.510 -21.943 1.00 35.25 H new ATOM 461 N PHE A 30 14.700 17.543 -23.653 1.00 4.13 N ATOM 462 CA PHE A 30 15.097 18.703 -22.863 1.00 55.31 C ATOM 463 C PHE A 30 16.485 19.189 -23.269 1.00 21.23 C ATOM 464 O PHE A 30 16.834 20.352 -23.063 1.00 24.35 O ATOM 465 CB PHE A 30 15.079 18.362 -21.372 1.00 13.03 C ATOM 466 CG PHE A 30 13.732 17.921 -20.874 1.00 0.13 C ATOM 467 CD1 PHE A 30 12.571 18.407 -21.454 1.00 22.43 C ATOM 468 CD2 PHE A 30 13.627 17.021 -19.825 1.00 41.42 C ATOM 469 CE1 PHE A 30 11.330 18.003 -20.998 1.00 63.41 C ATOM 470 CE2 PHE A 30 12.389 16.613 -19.366 1.00 1.53 C ATOM 471 CZ PHE A 30 11.239 17.106 -19.952 1.00 23.41 C ATOM 0 H PHE A 30 14.850 16.647 -23.190 1.00 4.13 H new ATOM 0 HA PHE A 30 14.382 19.503 -23.054 1.00 55.31 H new ATOM 0 HB2 PHE A 30 15.805 17.572 -21.179 1.00 13.03 H new ATOM 0 HB3 PHE A 30 15.400 19.235 -20.804 1.00 13.03 H new ATOM 0 HD1 PHE A 30 12.636 19.109 -22.272 1.00 22.43 H new ATOM 0 HD2 PHE A 30 14.523 16.634 -19.361 1.00 41.42 H new ATOM 0 HE1 PHE A 30 10.433 18.388 -21.459 1.00 63.41 H new ATOM 0 HE2 PHE A 30 12.320 15.909 -18.550 1.00 1.53 H new ATOM 0 HZ PHE A 30 10.271 16.790 -19.593 1.00 23.41 H new ATOM 481 N THR A 31 17.275 18.289 -23.847 1.00 33.01 N ATOM 482 CA THR A 31 18.626 18.623 -24.280 1.00 55.30 C ATOM 483 C THR A 31 18.607 19.388 -25.598 1.00 54.34 C ATOM 484 O THR A 31 19.327 20.373 -25.766 1.00 74.43 O ATOM 485 CB THR A 31 19.491 17.360 -24.445 1.00 5.11 C ATOM 486 OG1 THR A 31 19.307 16.490 -23.323 1.00 73.30 O ATOM 487 CG2 THR A 31 20.963 17.725 -24.573 1.00 14.50 C ATOM 0 H THR A 31 17.002 17.323 -24.026 1.00 33.01 H new ATOM 0 HA THR A 31 19.060 19.253 -23.504 1.00 55.30 H new ATOM 0 HB THR A 31 19.178 16.849 -25.356 1.00 5.11 H new ATOM 0 HG1 THR A 31 18.438 16.043 -23.395 1.00 73.30 H new ATOM 0 HG21 THR A 31 21.554 16.817 -24.689 1.00 14.50 H new ATOM 0 HG22 THR A 31 21.105 18.364 -25.445 1.00 14.50 H new ATOM 0 HG23 THR A 31 21.285 18.256 -23.678 1.00 14.50 H new ATOM 495 N SER A 32 17.778 18.930 -26.531 1.00 41.14 N ATOM 496 CA SER A 32 17.667 19.571 -27.836 1.00 50.05 C ATOM 497 C SER A 32 16.369 20.367 -27.942 1.00 65.53 C ATOM 498 O SER A 32 15.819 20.538 -29.031 1.00 65.01 O ATOM 499 CB SER A 32 17.728 18.523 -28.950 1.00 3.24 C ATOM 500 OG SER A 32 18.607 18.929 -29.984 1.00 43.33 O ATOM 0 H SER A 32 17.174 18.118 -26.407 1.00 41.14 H new ATOM 0 HA SER A 32 18.505 20.259 -27.948 1.00 50.05 H new ATOM 0 HB2 SER A 32 18.061 17.570 -28.539 1.00 3.24 H new ATOM 0 HB3 SER A 32 16.730 18.363 -29.358 1.00 3.24 H new ATOM 0 HG SER A 32 18.630 18.242 -30.683 1.00 43.33 H new ATOM 506 N LEU A 33 15.885 20.850 -26.804 1.00 2.32 N ATOM 507 CA LEU A 33 14.652 21.629 -26.766 1.00 70.34 C ATOM 508 C LEU A 33 14.862 23.011 -27.375 1.00 50.34 C ATOM 509 O LEU A 33 13.908 23.758 -27.590 1.00 71.44 O ATOM 510 CB LEU A 33 14.154 21.763 -25.326 1.00 42.52 C ATOM 511 CG LEU A 33 14.583 23.029 -24.584 1.00 0.54 C ATOM 512 CD1 LEU A 33 13.944 23.082 -23.205 1.00 34.02 C ATOM 513 CD2 LEU A 33 16.099 23.095 -24.473 1.00 43.32 C ATOM 0 H LEU A 33 16.327 20.716 -25.895 1.00 2.32 H new ATOM 0 HA LEU A 33 13.901 21.103 -27.356 1.00 70.34 H new ATOM 0 HB2 LEU A 33 13.065 21.722 -25.334 1.00 42.52 H new ATOM 0 HB3 LEU A 33 14.502 20.899 -24.760 1.00 42.52 H new ATOM 0 HG LEU A 33 14.242 23.893 -25.154 1.00 0.54 H new ATOM 0 HD11 LEU A 33 14.261 23.990 -22.692 1.00 34.02 H new ATOM 0 HD12 LEU A 33 12.859 23.083 -23.307 1.00 34.02 H new ATOM 0 HD13 LEU A 33 14.254 22.211 -22.627 1.00 34.02 H new ATOM 0 HD21 LEU A 33 16.386 24.003 -23.942 1.00 43.32 H new ATOM 0 HD22 LEU A 33 16.462 22.225 -23.926 1.00 43.32 H new ATOM 0 HD23 LEU A 33 16.537 23.105 -25.471 1.00 43.32 H new ATOM 525 N GLY A 34 16.119 23.345 -27.653 1.00 54.45 N ATOM 526 CA GLY A 34 16.431 24.636 -28.238 1.00 51.41 C ATOM 527 C GLY A 34 17.423 24.531 -29.379 1.00 51.35 C ATOM 528 O GLY A 34 18.632 24.482 -29.157 1.00 4.22 O ATOM 0 H GLY A 34 16.926 22.745 -27.484 1.00 54.45 H new ATOM 0 HA2 GLY A 34 15.513 25.099 -28.600 1.00 51.41 H new ATOM 0 HA3 GLY A 34 16.836 25.292 -27.468 1.00 51.41 H new HETATM 532 N NH2 A 35 17.015 24.494 -30.538 1.00 0.00 N TER 535 NH2 A 35