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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -179:sc= 0.0177 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.757 F(o=-2.4,f=-0.76) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.476 F(o=-1.5,f=-0.48) USER MOD Single : A 31 THR OG1 : rot 67:sc= 1.02 USER MOD Single : A 32 SER OG : rot 180:sc= 0.54 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.307 -0.523 -2.023 1.00 54.23 N ATOM 2 CA GLY A 1 0.716 -0.348 -3.037 1.00 51.04 C ATOM 3 C GLY A 1 1.643 -1.543 -3.138 1.00 31.12 C ATOM 4 O GLY A 1 2.438 -1.798 -2.233 1.00 71.41 O ATOM 0 H1 GLY A 1 -0.914 0.321 -1.993 1.00 54.23 H new ATOM 0 H2 GLY A 1 -0.884 -1.357 -2.252 1.00 54.23 H new ATOM 0 H3 GLY A 1 0.143 -0.658 -1.095 1.00 54.23 H new ATOM 0 HA2 GLY A 1 0.240 -0.178 -4.003 1.00 51.04 H new ATOM 0 HA3 GLY A 1 1.301 0.543 -2.809 1.00 51.04 H new ATOM 10 N ASP A 2 1.540 -2.278 -4.239 1.00 63.34 N ATOM 11 CA ASP A 2 2.376 -3.453 -4.455 1.00 65.41 C ATOM 12 C ASP A 2 2.840 -3.532 -5.906 1.00 50.44 C ATOM 13 O ASP A 2 4.017 -3.331 -6.203 1.00 42.10 O ATOM 14 CB ASP A 2 1.613 -4.725 -4.081 1.00 53.34 C ATOM 15 CG ASP A 2 2.150 -5.373 -2.820 1.00 75.14 C ATOM 16 OD1 ASP A 2 2.501 -6.571 -2.872 1.00 0.51 O ATOM 17 OD2 ASP A 2 2.219 -4.683 -1.782 1.00 50.23 O1- ATOM 0 H ASP A 2 0.886 -2.081 -4.996 1.00 63.34 H new ATOM 0 HA ASP A 2 3.255 -3.364 -3.816 1.00 65.41 H new ATOM 0 HB2 ASP A 2 0.559 -4.485 -3.942 1.00 53.34 H new ATOM 0 HB3 ASP A 2 1.672 -5.436 -4.905 1.00 53.34 H new ATOM 22 N GLU A 3 1.906 -3.826 -6.806 1.00 1.34 N ATOM 23 CA GLU A 3 2.220 -3.933 -8.225 1.00 45.45 C ATOM 24 C GLU A 3 2.396 -2.551 -8.849 1.00 65.13 C ATOM 25 O GLU A 3 3.050 -2.404 -9.882 1.00 55.44 O ATOM 26 CB GLU A 3 1.117 -4.698 -8.959 1.00 22.54 C ATOM 27 CG GLU A 3 0.720 -5.996 -8.276 1.00 22.44 C ATOM 28 CD GLU A 3 -0.440 -6.687 -8.965 1.00 73.31 C ATOM 29 OE1 GLU A 3 -0.557 -6.558 -10.202 1.00 0.42 O ATOM 30 OE2 GLU A 3 -1.231 -7.357 -8.269 1.00 14.12 O1- ATOM 0 H GLU A 3 0.926 -3.994 -6.577 1.00 1.34 H new ATOM 0 HA GLU A 3 3.158 -4.480 -8.322 1.00 45.45 H new ATOM 0 HB2 GLU A 3 0.238 -4.059 -9.045 1.00 22.54 H new ATOM 0 HB3 GLU A 3 1.452 -4.918 -9.973 1.00 22.54 H new ATOM 0 HG2 GLU A 3 1.578 -6.668 -8.255 1.00 22.44 H new ATOM 0 HG3 GLU A 3 0.451 -5.790 -7.240 1.00 22.44 H new ATOM 37 N ARG A 4 1.809 -1.542 -8.214 1.00 73.43 N ATOM 38 CA ARG A 4 1.900 -0.173 -8.706 1.00 74.13 C ATOM 39 C ARG A 4 2.884 0.641 -7.871 1.00 71.52 C ATOM 40 O ARG A 4 3.081 1.832 -8.111 1.00 20.02 O ATOM 41 CB ARG A 4 0.522 0.492 -8.683 1.00 4.43 C ATOM 42 CG ARG A 4 -0.007 0.846 -10.063 1.00 32.41 C ATOM 43 CD ARG A 4 -1.511 0.640 -10.152 1.00 33.11 C ATOM 44 NE ARG A 4 -1.859 -0.755 -10.411 1.00 4.21 N ATOM 45 CZ ARG A 4 -3.105 -1.214 -10.411 1.00 11.03 C ATOM 46 NH1 ARG A 4 -4.117 -0.393 -10.167 1.00 34.20 N1+ ATOM 47 NH2 ARG A 4 -3.341 -2.497 -10.655 1.00 40.43 N ATOM 0 H ARG A 4 1.265 -1.647 -7.357 1.00 73.43 H new ATOM 0 HA ARG A 4 2.263 -0.206 -9.733 1.00 74.13 H new ATOM 0 HB2 ARG A 4 -0.186 -0.176 -8.192 1.00 4.43 H new ATOM 0 HB3 ARG A 4 0.576 1.399 -8.080 1.00 4.43 H new ATOM 0 HG2 ARG A 4 0.233 1.884 -10.291 1.00 32.41 H new ATOM 0 HG3 ARG A 4 0.491 0.232 -10.813 1.00 32.41 H new ATOM 0 HD2 ARG A 4 -1.977 0.963 -9.221 1.00 33.11 H new ATOM 0 HD3 ARG A 4 -1.916 1.268 -10.945 1.00 33.11 H new ATOM 0 HE ARG A 4 -1.103 -1.413 -10.602 1.00 4.21 H new ATOM 0 HH11 ARG A 4 -3.939 0.594 -9.979 1.00 34.20 H new ATOM 0 HH12 ARG A 4 -5.073 -0.748 -10.168 1.00 34.20 H new ATOM 0 HH21 ARG A 4 -2.565 -3.132 -10.843 1.00 40.43 H new ATOM 0 HH22 ARG A 4 -4.299 -2.848 -10.655 1.00 40.43 H new ATOM 61 N PHE A 5 3.499 -0.011 -6.890 1.00 11.03 N ATOM 62 CA PHE A 5 4.462 0.652 -6.018 1.00 62.32 C ATOM 63 C PHE A 5 5.833 -0.011 -6.120 1.00 0.43 C ATOM 64 O PHE A 5 6.861 0.624 -5.881 1.00 14.23 O ATOM 65 CB PHE A 5 3.975 0.622 -4.568 1.00 71.21 C ATOM 66 CG PHE A 5 3.087 1.779 -4.210 1.00 73.11 C ATOM 67 CD1 PHE A 5 3.393 2.598 -3.135 1.00 70.14 C ATOM 68 CD2 PHE A 5 1.945 2.047 -4.948 1.00 41.32 C ATOM 69 CE1 PHE A 5 2.578 3.664 -2.803 1.00 70.15 C ATOM 70 CE2 PHE A 5 1.127 3.112 -4.621 1.00 73.14 C ATOM 71 CZ PHE A 5 1.443 3.920 -3.547 1.00 12.40 C ATOM 0 H PHE A 5 3.348 -0.997 -6.679 1.00 11.03 H new ATOM 0 HA PHE A 5 4.554 1.689 -6.341 1.00 62.32 H new ATOM 0 HB2 PHE A 5 3.434 -0.308 -4.394 1.00 71.21 H new ATOM 0 HB3 PHE A 5 4.839 0.618 -3.903 1.00 71.21 H new ATOM 0 HD1 PHE A 5 4.279 2.401 -2.549 1.00 70.14 H new ATOM 0 HD2 PHE A 5 1.692 1.417 -5.788 1.00 41.32 H new ATOM 0 HE1 PHE A 5 2.828 4.295 -1.963 1.00 70.15 H new ATOM 0 HE2 PHE A 5 0.241 3.312 -5.205 1.00 73.14 H new ATOM 0 HZ PHE A 5 0.803 4.751 -3.289 1.00 12.40 H new ATOM 81 N TYR A 6 5.840 -1.290 -6.475 1.00 70.51 N ATOM 82 CA TYR A 6 7.083 -2.041 -6.605 1.00 23.04 C ATOM 83 C TYR A 6 7.541 -2.090 -8.059 1.00 72.32 C ATOM 84 O TYR A 6 8.706 -2.363 -8.346 1.00 41.41 O ATOM 85 CB TYR A 6 6.905 -3.461 -6.066 1.00 75.52 C ATOM 86 CG TYR A 6 6.443 -3.510 -4.627 1.00 52.12 C ATOM 87 CD1 TYR A 6 6.750 -2.483 -3.744 1.00 5.44 C ATOM 88 CD2 TYR A 6 5.700 -4.583 -4.151 1.00 11.01 C ATOM 89 CE1 TYR A 6 6.331 -2.523 -2.428 1.00 4.33 C ATOM 90 CE2 TYR A 6 5.275 -4.631 -2.837 1.00 44.22 C ATOM 91 CZ TYR A 6 5.594 -3.599 -1.980 1.00 12.45 C ATOM 92 OH TYR A 6 5.174 -3.643 -0.670 1.00 20.22 O ATOM 0 H TYR A 6 4.998 -1.829 -6.678 1.00 70.51 H new ATOM 0 HA TYR A 6 7.848 -1.531 -6.020 1.00 23.04 H new ATOM 0 HB2 TYR A 6 6.183 -3.989 -6.689 1.00 75.52 H new ATOM 0 HB3 TYR A 6 7.851 -3.995 -6.153 1.00 75.52 H new ATOM 0 HD1 TYR A 6 7.326 -1.638 -4.092 1.00 5.44 H new ATOM 0 HD2 TYR A 6 5.450 -5.394 -4.819 1.00 11.01 H new ATOM 0 HE1 TYR A 6 6.579 -1.716 -1.754 1.00 4.33 H new ATOM 0 HE2 TYR A 6 4.697 -5.472 -2.483 1.00 44.22 H new ATOM 0 HH TYR A 6 4.666 -4.467 -0.517 1.00 20.22 H new ATOM 102 N ALA A 7 6.614 -1.824 -8.974 1.00 32.15 N ATOM 103 CA ALA A 7 6.921 -1.835 -10.398 1.00 73.54 C ATOM 104 C ALA A 7 6.708 -0.458 -11.017 1.00 2.12 C ATOM 105 O ALA A 7 7.295 -0.134 -12.049 1.00 33.20 O ATOM 106 CB ALA A 7 6.069 -2.874 -11.113 1.00 63.24 C ATOM 0 H ALA A 7 5.644 -1.598 -8.753 1.00 32.15 H new ATOM 0 HA ALA A 7 7.972 -2.098 -10.516 1.00 73.54 H new ATOM 0 HB1 ALA A 7 6.309 -2.872 -12.176 1.00 63.24 H new ATOM 0 HB2 ALA A 7 6.273 -3.861 -10.697 1.00 63.24 H new ATOM 0 HB3 ALA A 7 5.014 -2.635 -10.978 1.00 63.24 H new ATOM 112 N GLU A 8 5.865 0.348 -10.379 1.00 43.40 N ATOM 113 CA GLU A 8 5.574 1.690 -10.870 1.00 2.44 C ATOM 114 C GLU A 8 6.311 2.743 -10.046 1.00 32.44 C ATOM 115 O GLU A 8 6.339 3.920 -10.404 1.00 50.41 O ATOM 116 CB GLU A 8 4.068 1.957 -10.828 1.00 61.02 C ATOM 117 CG GLU A 8 3.498 2.435 -12.153 1.00 71.00 C ATOM 118 CD GLU A 8 2.303 1.617 -12.603 1.00 12.21 C ATOM 119 OE1 GLU A 8 2.471 0.402 -12.840 1.00 2.55 O ATOM 120 OE2 GLU A 8 1.200 2.191 -12.719 1.00 0.24 O1- ATOM 0 H GLU A 8 5.372 0.096 -9.522 1.00 43.40 H new ATOM 0 HA GLU A 8 5.919 1.754 -11.902 1.00 2.44 H new ATOM 0 HB2 GLU A 8 3.554 1.044 -10.529 1.00 61.02 H new ATOM 0 HB3 GLU A 8 3.861 2.705 -10.062 1.00 61.02 H new ATOM 0 HG2 GLU A 8 3.204 3.481 -12.062 1.00 71.00 H new ATOM 0 HG3 GLU A 8 4.274 2.388 -12.917 1.00 71.00 H new ATOM 127 N HIS A 9 6.906 2.309 -8.939 1.00 31.02 N ATOM 128 CA HIS A 9 7.643 3.213 -8.063 1.00 33.14 C ATOM 129 C HIS A 9 9.034 2.663 -7.761 1.00 52.52 C ATOM 130 O HIS A 9 9.696 3.103 -6.820 1.00 51.12 O ATOM 131 CB HIS A 9 6.875 3.432 -6.759 1.00 13.12 C ATOM 132 CG HIS A 9 6.817 4.866 -6.331 1.00 41.45 C ATOM 133 ND1 HIS A 9 7.938 5.658 -6.201 1.00 43.42 N ATOM 134 CD2 HIS A 9 5.764 5.651 -6.006 1.00 13.44 C ATOM 135 CE1 HIS A 9 7.577 6.868 -5.812 1.00 43.11 C ATOM 136 NE2 HIS A 9 6.263 6.890 -5.687 1.00 14.45 N ATOM 0 H HIS A 9 6.892 1.338 -8.628 1.00 31.02 H new ATOM 0 HA HIS A 9 7.752 4.168 -8.577 1.00 33.14 H new ATOM 0 HB2 HIS A 9 5.859 3.056 -6.878 1.00 13.12 H new ATOM 0 HB3 HIS A 9 7.342 2.844 -5.969 1.00 13.12 H new ATOM 0 HD2 HIS A 9 4.725 5.358 -5.999 1.00 13.44 H new ATOM 0 HE1 HIS A 9 8.243 7.698 -5.628 1.00 43.11 H new ATOM 0 HE2 HIS A 9 5.708 7.696 -5.400 1.00 14.45 H new ATOM 144 N LEU A 10 9.471 1.700 -8.565 1.00 12.23 N ATOM 145 CA LEU A 10 10.783 1.089 -8.383 1.00 41.24 C ATOM 146 C LEU A 10 11.523 0.984 -9.713 1.00 3.31 C ATOM 147 O LEU A 10 12.712 1.291 -9.799 1.00 10.34 O ATOM 148 CB LEU A 10 10.639 -0.298 -7.756 1.00 22.31 C ATOM 149 CG LEU A 10 11.690 -0.674 -6.710 1.00 74.32 C ATOM 150 CD1 LEU A 10 11.206 -1.842 -5.864 1.00 65.02 C ATOM 151 CD2 LEU A 10 13.013 -1.011 -7.381 1.00 63.11 C ATOM 0 H LEU A 10 8.936 1.326 -9.349 1.00 12.23 H new ATOM 0 HA LEU A 10 11.363 1.725 -7.714 1.00 41.24 H new ATOM 0 HB2 LEU A 10 9.654 -0.365 -7.293 1.00 22.31 H new ATOM 0 HB3 LEU A 10 10.667 -1.040 -8.554 1.00 22.31 H new ATOM 0 HG LEU A 10 11.846 0.183 -6.055 1.00 74.32 H new ATOM 0 HD11 LEU A 10 11.966 -2.096 -5.125 1.00 65.02 H new ATOM 0 HD12 LEU A 10 10.283 -1.564 -5.354 1.00 65.02 H new ATOM 0 HD13 LEU A 10 11.021 -2.704 -6.505 1.00 65.02 H new ATOM 0 HD21 LEU A 10 13.749 -1.276 -6.622 1.00 63.11 H new ATOM 0 HD22 LEU A 10 12.873 -1.852 -8.060 1.00 63.11 H new ATOM 0 HD23 LEU A 10 13.367 -0.146 -7.943 1.00 63.11 H new ATOM 163 N MET A 11 10.811 0.551 -10.748 1.00 24.40 N ATOM 164 CA MET A 11 11.401 0.408 -12.074 1.00 52.03 C ATOM 165 C MET A 11 11.771 1.770 -12.654 1.00 74.41 C ATOM 166 O MET A 11 12.934 2.053 -12.942 1.00 15.54 O ATOM 167 CB MET A 11 10.430 -0.312 -13.012 1.00 62.23 C ATOM 168 CG MET A 11 10.958 -1.641 -13.529 1.00 54.21 C ATOM 169 SD MET A 11 10.961 -2.926 -12.264 1.00 41.03 S ATOM 170 CE MET A 11 10.052 -4.224 -13.098 1.00 70.35 C ATOM 0 H MET A 11 9.826 0.293 -10.694 1.00 24.40 H new ATOM 0 HA MET A 11 12.310 -0.186 -11.978 1.00 52.03 H new ATOM 0 HB2 MET A 11 9.490 -0.483 -12.487 1.00 62.23 H new ATOM 0 HB3 MET A 11 10.208 0.336 -13.860 1.00 62.23 H new ATOM 0 HG2 MET A 11 10.348 -1.967 -14.371 1.00 54.21 H new ATOM 0 HG3 MET A 11 11.972 -1.504 -13.904 1.00 54.21 H new ATOM 0 HE1 MET A 11 9.969 -5.090 -12.441 1.00 70.35 H new ATOM 0 HE2 MET A 11 9.055 -3.865 -13.352 1.00 70.35 H new ATOM 0 HE3 MET A 11 10.578 -4.509 -14.009 1.00 70.35 H new ATOM 180 N PRO A 12 10.759 2.633 -12.831 1.00 4.01 N ATOM 181 CA PRO A 12 10.954 3.979 -13.378 1.00 4.13 C ATOM 182 C PRO A 12 11.697 4.895 -12.411 1.00 42.43 C ATOM 183 O PRO A 12 12.005 6.042 -12.739 1.00 25.14 O ATOM 184 CB PRO A 12 9.526 4.482 -13.600 1.00 72.10 C ATOM 185 CG PRO A 12 8.698 3.713 -12.629 1.00 70.54 C ATOM 186 CD PRO A 12 9.348 2.362 -12.510 1.00 61.11 C ATOM 0 HA PRO A 12 11.562 3.967 -14.283 1.00 4.13 H new ATOM 0 HB2 PRO A 12 9.452 5.555 -13.421 1.00 72.10 H new ATOM 0 HB3 PRO A 12 9.199 4.306 -14.625 1.00 72.10 H new ATOM 0 HG2 PRO A 12 8.662 4.216 -11.662 1.00 70.54 H new ATOM 0 HG3 PRO A 12 7.670 3.622 -12.979 1.00 70.54 H new ATOM 0 HD2 PRO A 12 9.236 1.949 -11.507 1.00 61.11 H new ATOM 0 HD3 PRO A 12 8.909 1.643 -13.202 1.00 61.11 H new ATOM 194 N THR A 13 11.983 4.383 -11.218 1.00 63.24 N ATOM 195 CA THR A 13 12.690 5.155 -10.204 1.00 70.03 C ATOM 196 C THR A 13 14.190 4.885 -10.254 1.00 15.31 C ATOM 197 O THR A 13 14.999 5.814 -10.230 1.00 72.32 O ATOM 198 CB THR A 13 12.169 4.835 -8.790 1.00 51.45 C ATOM 199 OG1 THR A 13 10.815 5.282 -8.655 1.00 3.34 O ATOM 200 CG2 THR A 13 13.036 5.499 -7.731 1.00 61.13 C ATOM 0 H THR A 13 11.736 3.436 -10.930 1.00 63.24 H new ATOM 0 HA THR A 13 12.506 6.207 -10.422 1.00 70.03 H new ATOM 0 HB THR A 13 12.211 3.755 -8.646 1.00 51.45 H new ATOM 0 HG1 THR A 13 10.495 5.088 -7.749 1.00 3.34 H new ATOM 0 HG21 THR A 13 12.649 5.259 -6.741 1.00 61.13 H new ATOM 0 HG22 THR A 13 14.060 5.135 -7.818 1.00 61.13 H new ATOM 0 HG23 THR A 13 13.022 6.579 -7.874 1.00 61.13 H new ATOM 208 N LEU A 14 14.554 3.610 -10.323 1.00 64.14 N ATOM 209 CA LEU A 14 15.959 3.218 -10.379 1.00 35.24 C ATOM 210 C LEU A 14 16.395 2.957 -11.817 1.00 10.13 C ATOM 211 O LEU A 14 17.505 3.313 -12.212 1.00 55.32 O ATOM 212 CB LEU A 14 16.193 1.968 -9.528 1.00 3.41 C ATOM 213 CG LEU A 14 16.665 2.212 -8.094 1.00 23.30 C ATOM 214 CD1 LEU A 14 15.810 1.429 -7.110 1.00 74.12 C ATOM 215 CD2 LEU A 14 18.132 1.836 -7.944 1.00 63.34 C ATOM 0 H LEU A 14 13.897 2.830 -10.342 1.00 64.14 H new ATOM 0 HA LEU A 14 16.556 4.039 -9.982 1.00 35.24 H new ATOM 0 HB2 LEU A 14 15.264 1.398 -9.492 1.00 3.41 H new ATOM 0 HB3 LEU A 14 16.931 1.343 -10.031 1.00 3.41 H new ATOM 0 HG LEU A 14 16.558 3.274 -7.873 1.00 23.30 H new ATOM 0 HD11 LEU A 14 16.161 1.615 -6.095 1.00 74.12 H new ATOM 0 HD12 LEU A 14 14.771 1.746 -7.199 1.00 74.12 H new ATOM 0 HD13 LEU A 14 15.885 0.364 -7.330 1.00 74.12 H new ATOM 0 HD21 LEU A 14 18.451 2.016 -6.917 1.00 63.34 H new ATOM 0 HD22 LEU A 14 18.264 0.781 -8.185 1.00 63.34 H new ATOM 0 HD23 LEU A 14 18.734 2.441 -8.622 1.00 63.34 H new ATOM 227 N GLN A 15 15.514 2.336 -12.594 1.00 33.43 N ATOM 228 CA GLN A 15 15.808 2.029 -13.989 1.00 2.45 C ATOM 229 C GLN A 15 15.279 3.124 -14.910 1.00 20.34 C ATOM 230 O GLN A 15 15.715 3.251 -16.053 1.00 11.31 O ATOM 231 CB GLN A 15 15.199 0.681 -14.376 1.00 54.13 C ATOM 232 CG GLN A 15 16.000 -0.513 -13.884 1.00 31.15 C ATOM 233 CD GLN A 15 16.137 -0.541 -12.374 1.00 34.40 C ATOM 234 OE1 GLN A 15 15.036 -0.288 -11.675 1.00 2.04 O flip ATOM 235 NE2 GLN A 15 17.219 -0.788 -11.842 1.00 24.22 N flip ATOM 0 H GLN A 15 14.591 2.035 -12.281 1.00 33.43 H new ATOM 0 HA GLN A 15 16.891 1.976 -14.103 1.00 2.45 H new ATOM 0 HB2 GLN A 15 14.188 0.620 -13.974 1.00 54.13 H new ATOM 0 HB3 GLN A 15 15.114 0.628 -15.461 1.00 54.13 H new ATOM 0 HG2 GLN A 15 15.518 -1.432 -14.219 1.00 31.15 H new ATOM 0 HG3 GLN A 15 16.992 -0.491 -14.335 1.00 31.15 H new ATOM 0 HE21 GLN A 15 18.039 -0.977 -12.418 1.00 24.22 H new ATOM 0 HE22 GLN A 15 17.295 -0.804 -10.825 1.00 24.22 H new ATOM 244 N GLY A 16 14.335 3.912 -14.403 1.00 64.11 N ATOM 245 CA GLY A 16 13.761 4.984 -15.195 1.00 33.14 C ATOM 246 C GLY A 16 14.697 6.168 -15.334 1.00 32.02 C ATOM 247 O GLY A 16 14.458 7.067 -16.142 1.00 34.44 O ATOM 0 H GLY A 16 13.958 3.827 -13.459 1.00 64.11 H new ATOM 0 HA2 GLY A 16 13.510 4.605 -16.186 1.00 33.14 H new ATOM 0 HA3 GLY A 16 12.830 5.313 -14.734 1.00 33.14 H new ATOM 251 N LEU A 17 15.765 6.171 -14.544 1.00 50.52 N ATOM 252 CA LEU A 17 16.740 7.256 -14.581 1.00 65.55 C ATOM 253 C LEU A 17 17.808 6.991 -15.639 1.00 10.35 C ATOM 254 O LEU A 17 18.671 7.834 -15.889 1.00 21.22 O ATOM 255 CB LEU A 17 17.396 7.426 -13.210 1.00 31.32 C ATOM 256 CG LEU A 17 16.929 8.627 -12.387 1.00 73.01 C ATOM 257 CD1 LEU A 17 15.471 8.464 -11.984 1.00 25.41 C ATOM 258 CD2 LEU A 17 17.807 8.806 -11.158 1.00 24.54 C ATOM 0 H LEU A 17 15.978 5.435 -13.871 1.00 50.52 H new ATOM 0 HA LEU A 17 16.215 8.175 -14.842 1.00 65.55 H new ATOM 0 HB2 LEU A 17 17.217 6.521 -12.629 1.00 31.32 H new ATOM 0 HB3 LEU A 17 18.474 7.505 -13.352 1.00 31.32 H new ATOM 0 HG LEU A 17 17.016 9.521 -13.004 1.00 73.01 H new ATOM 0 HD11 LEU A 17 15.156 9.328 -11.399 1.00 25.41 H new ATOM 0 HD12 LEU A 17 14.853 8.387 -12.878 1.00 25.41 H new ATOM 0 HD13 LEU A 17 15.358 7.560 -11.385 1.00 25.41 H new ATOM 0 HD21 LEU A 17 17.460 9.665 -10.585 1.00 24.54 H new ATOM 0 HD22 LEU A 17 17.753 7.911 -10.539 1.00 24.54 H new ATOM 0 HD23 LEU A 17 18.839 8.970 -11.469 1.00 24.54 H new ATOM 270 N LEU A 18 17.742 5.818 -16.258 1.00 24.25 N ATOM 271 CA LEU A 18 18.702 5.443 -17.290 1.00 62.21 C ATOM 272 C LEU A 18 18.114 4.390 -18.224 1.00 53.11 C ATOM 273 O LEU A 18 18.845 3.628 -18.856 1.00 44.24 O ATOM 274 CB LEU A 18 19.987 4.913 -16.652 1.00 3.25 C ATOM 275 CG LEU A 18 19.863 4.404 -15.215 1.00 13.51 C ATOM 276 CD1 LEU A 18 18.891 3.237 -15.145 1.00 32.15 C ATOM 277 CD2 LEU A 18 21.226 4.000 -14.672 1.00 74.34 C ATOM 0 H LEU A 18 17.034 5.110 -16.063 1.00 24.25 H new ATOM 0 HA LEU A 18 18.934 6.333 -17.875 1.00 62.21 H new ATOM 0 HB2 LEU A 18 20.369 4.102 -17.272 1.00 3.25 H new ATOM 0 HB3 LEU A 18 20.733 5.707 -16.672 1.00 3.25 H new ATOM 0 HG LEU A 18 19.474 5.212 -14.596 1.00 13.51 H new ATOM 0 HD11 LEU A 18 18.815 2.888 -14.115 1.00 32.15 H new ATOM 0 HD12 LEU A 18 17.909 3.560 -15.492 1.00 32.15 H new ATOM 0 HD13 LEU A 18 19.251 2.426 -15.778 1.00 32.15 H new ATOM 0 HD21 LEU A 18 21.118 3.641 -13.649 1.00 74.34 H new ATOM 0 HD22 LEU A 18 21.645 3.208 -15.293 1.00 74.34 H new ATOM 0 HD23 LEU A 18 21.893 4.862 -14.685 1.00 74.34 H new ATOM 289 N ASP A 19 16.788 4.355 -18.307 1.00 44.22 N ATOM 290 CA ASP A 19 16.101 3.399 -19.167 1.00 62.23 C ATOM 291 C ASP A 19 16.116 3.865 -20.620 1.00 3.44 C ATOM 292 O ASP A 19 16.174 5.060 -20.913 1.00 71.30 O ATOM 293 CB ASP A 19 14.659 3.202 -18.697 1.00 22.11 C ATOM 294 CG ASP A 19 14.439 1.845 -18.057 1.00 2.30 C ATOM 295 OD1 ASP A 19 15.435 1.218 -17.638 1.00 73.23 O ATOM 296 OD2 ASP A 19 13.271 1.411 -17.974 1.00 3.30 O1- ATOM 0 H ASP A 19 16.168 4.978 -17.789 1.00 44.22 H new ATOM 0 HA ASP A 19 16.629 2.447 -19.104 1.00 62.23 H new ATOM 0 HB2 ASP A 19 14.403 3.984 -17.982 1.00 22.11 H new ATOM 0 HB3 ASP A 19 13.985 3.314 -19.546 1.00 22.11 H new ATOM 301 N PRO A 20 16.065 2.902 -21.552 1.00 13.15 N ATOM 302 CA PRO A 20 16.072 3.190 -22.989 1.00 11.11 C ATOM 303 C PRO A 20 14.777 3.846 -23.455 1.00 51.51 C ATOM 304 O PRO A 20 14.665 4.271 -24.605 1.00 21.14 O ATOM 305 CB PRO A 20 16.230 1.808 -23.627 1.00 24.42 C ATOM 306 CG PRO A 20 15.681 0.859 -22.617 1.00 43.54 C ATOM 307 CD PRO A 20 15.995 1.458 -21.274 1.00 34.32 C ATOM 0 HA PRO A 20 16.860 3.893 -23.260 1.00 11.11 H new ATOM 0 HB2 PRO A 20 15.685 1.742 -24.569 1.00 24.42 H new ATOM 0 HB3 PRO A 20 17.275 1.591 -23.847 1.00 24.42 H new ATOM 0 HG2 PRO A 20 14.606 0.731 -22.746 1.00 43.54 H new ATOM 0 HG3 PRO A 20 16.134 -0.127 -22.721 1.00 43.54 H new ATOM 0 HD2 PRO A 20 15.222 1.227 -20.541 1.00 34.32 H new ATOM 0 HD3 PRO A 20 16.936 1.079 -20.875 1.00 34.32 H new ATOM 315 N GLU A 21 13.802 3.926 -22.555 1.00 52.51 N ATOM 316 CA GLU A 21 12.515 4.533 -22.876 1.00 21.13 C ATOM 317 C GLU A 21 12.168 5.634 -21.877 1.00 65.42 C ATOM 318 O GLU A 21 11.551 6.637 -22.233 1.00 14.11 O ATOM 319 CB GLU A 21 11.414 3.471 -22.884 1.00 35.04 C ATOM 320 CG GLU A 21 10.980 3.033 -21.495 1.00 24.04 C ATOM 321 CD GLU A 21 10.303 1.676 -21.496 1.00 12.45 C ATOM 322 OE1 GLU A 21 10.901 0.716 -22.024 1.00 30.43 O ATOM 323 OE2 GLU A 21 9.175 1.575 -20.969 1.00 3.43 O1- ATOM 0 H GLU A 21 13.878 3.579 -21.599 1.00 52.51 H new ATOM 0 HA GLU A 21 12.589 4.977 -23.869 1.00 21.13 H new ATOM 0 HB2 GLU A 21 10.549 3.861 -23.420 1.00 35.04 H new ATOM 0 HB3 GLU A 21 11.765 2.600 -23.437 1.00 35.04 H new ATOM 0 HG2 GLU A 21 11.851 3.000 -20.840 1.00 24.04 H new ATOM 0 HG3 GLU A 21 10.297 3.775 -21.081 1.00 24.04 H new ATOM 330 N SER A 22 12.571 5.437 -20.626 1.00 15.14 N ATOM 331 CA SER A 22 12.299 6.410 -19.574 1.00 31.12 C ATOM 332 C SER A 22 13.352 7.514 -19.570 1.00 12.01 C ATOM 333 O SER A 22 13.025 8.698 -19.488 1.00 24.32 O ATOM 334 CB SER A 22 12.262 5.720 -18.209 1.00 20.11 C ATOM 335 OG SER A 22 10.951 5.721 -17.672 1.00 14.41 O ATOM 0 H SER A 22 13.087 4.613 -20.316 1.00 15.14 H new ATOM 0 HA SER A 22 11.326 6.860 -19.772 1.00 31.12 H new ATOM 0 HB2 SER A 22 12.617 4.694 -18.307 1.00 20.11 H new ATOM 0 HB3 SER A 22 12.940 6.228 -17.523 1.00 20.11 H new ATOM 0 HG SER A 22 10.954 5.273 -16.800 1.00 14.41 H new ATOM 341 N ALA A 23 14.617 7.117 -19.659 1.00 71.22 N ATOM 342 CA ALA A 23 15.719 8.071 -19.667 1.00 15.20 C ATOM 343 C ALA A 23 15.896 8.693 -21.048 1.00 2.31 C ATOM 344 O ALA A 23 16.295 9.852 -21.171 1.00 73.03 O ATOM 345 CB ALA A 23 17.006 7.395 -19.221 1.00 63.52 C ATOM 0 H ALA A 23 14.904 6.141 -19.727 1.00 71.22 H new ATOM 0 HA ALA A 23 15.480 8.870 -18.965 1.00 15.20 H new ATOM 0 HB1 ALA A 23 17.820 8.120 -19.232 1.00 63.52 H new ATOM 0 HB2 ALA A 23 16.881 7.005 -18.211 1.00 63.52 H new ATOM 0 HB3 ALA A 23 17.241 6.575 -19.900 1.00 63.52 H new ATOM 351 N HIS A 24 15.599 7.916 -22.085 1.00 12.44 N ATOM 352 CA HIS A 24 15.727 8.392 -23.458 1.00 33.43 C ATOM 353 C HIS A 24 14.617 9.383 -23.795 1.00 71.32 C ATOM 354 O HIS A 24 14.847 10.374 -24.488 1.00 14.32 O ATOM 355 CB HIS A 24 15.689 7.214 -24.433 1.00 2.53 C ATOM 356 CG HIS A 24 14.842 7.465 -25.642 1.00 44.53 C ATOM 357 ND1 HIS A 24 13.508 7.340 -25.830 1.00 63.04 N flip ATOM 358 CD2 HIS A 24 15.358 7.899 -26.845 1.00 71.34 C flip ATOM 359 CE1 HIS A 24 13.244 7.697 -27.130 1.00 35.24 C flip ATOM 360 NE2 HIS A 24 14.378 8.031 -27.721 1.00 3.12 N flip ATOM 0 H HIS A 24 15.268 6.955 -22.001 1.00 12.44 H new ATOM 0 HA HIS A 24 16.686 8.902 -23.553 1.00 33.43 H new ATOM 0 HB2 HIS A 24 16.705 6.985 -24.753 1.00 2.53 H new ATOM 0 HB3 HIS A 24 15.312 6.334 -23.912 1.00 2.53 H new ATOM 0 HD2 HIS A 24 16.401 8.100 -27.041 1.00 71.34 H new ATOM 0 HE1 HIS A 24 12.269 7.704 -27.594 1.00 35.24 H new ATOM 0 HE2 HIS A 24 14.479 8.338 -28.688 1.00 3.12 H new ATOM 368 N ARG A 25 13.414 9.107 -23.302 1.00 50.11 N ATOM 369 CA ARG A 25 12.268 9.973 -23.553 1.00 45.25 C ATOM 370 C ARG A 25 12.417 11.300 -22.815 1.00 25.14 C ATOM 371 O ARG A 25 12.017 12.351 -23.317 1.00 1.01 O ATOM 372 CB ARG A 25 10.974 9.280 -23.123 1.00 41.35 C ATOM 373 CG ARG A 25 9.736 10.145 -23.291 1.00 14.30 C ATOM 374 CD ARG A 25 8.783 9.988 -22.116 1.00 5.53 C ATOM 375 NE ARG A 25 9.004 11.008 -21.093 1.00 73.31 N ATOM 376 CZ ARG A 25 8.093 11.349 -20.188 1.00 45.30 C ATOM 377 NH1 ARG A 25 6.908 10.756 -20.178 1.00 71.25 N1+ ATOM 378 NH2 ARG A 25 8.369 12.286 -19.290 1.00 14.25 N ATOM 0 H ARG A 25 13.208 8.291 -22.726 1.00 50.11 H new ATOM 0 HA ARG A 25 12.225 10.175 -24.623 1.00 45.25 H new ATOM 0 HB2 ARG A 25 10.850 8.366 -23.705 1.00 41.35 H new ATOM 0 HB3 ARG A 25 11.061 8.983 -22.078 1.00 41.35 H new ATOM 0 HG2 ARG A 25 10.031 11.190 -23.384 1.00 14.30 H new ATOM 0 HG3 ARG A 25 9.224 9.874 -24.215 1.00 14.30 H new ATOM 0 HD2 ARG A 25 7.755 10.049 -22.472 1.00 5.53 H new ATOM 0 HD3 ARG A 25 8.910 8.999 -21.676 1.00 5.53 H new ATOM 0 HE ARG A 25 9.906 11.484 -21.073 1.00 73.31 H new ATOM 0 HH11 ARG A 25 6.693 10.035 -20.867 1.00 71.25 H new ATOM 0 HH12 ARG A 25 6.211 11.020 -19.482 1.00 71.25 H new ATOM 0 HH21 ARG A 25 9.280 12.744 -19.295 1.00 14.25 H new ATOM 0 HH22 ARG A 25 7.670 12.548 -18.595 1.00 14.25 H new ATOM 392 N LEU A 26 12.995 11.244 -21.620 1.00 30.14 N ATOM 393 CA LEU A 26 13.198 12.441 -20.811 1.00 13.10 C ATOM 394 C LEU A 26 14.475 13.167 -21.223 1.00 35.31 C ATOM 395 O LEU A 26 14.677 14.331 -20.879 1.00 23.44 O ATOM 396 CB LEU A 26 13.262 12.073 -19.328 1.00 3.45 C ATOM 397 CG LEU A 26 12.304 12.829 -18.406 1.00 42.43 C ATOM 398 CD1 LEU A 26 12.214 12.144 -17.052 1.00 31.12 C ATOM 399 CD2 LEU A 26 12.749 14.276 -18.246 1.00 31.24 C ATOM 0 H LEU A 26 13.331 10.382 -21.190 1.00 30.14 H new ATOM 0 HA LEU A 26 12.353 13.109 -20.977 1.00 13.10 H new ATOM 0 HB2 LEU A 26 13.062 11.006 -19.230 1.00 3.45 H new ATOM 0 HB3 LEU A 26 14.280 12.240 -18.977 1.00 3.45 H new ATOM 0 HG LEU A 26 11.313 12.823 -18.859 1.00 42.43 H new ATOM 0 HD11 LEU A 26 11.528 12.696 -16.410 1.00 31.12 H new ATOM 0 HD12 LEU A 26 11.848 11.126 -17.183 1.00 31.12 H new ATOM 0 HD13 LEU A 26 13.201 12.118 -16.591 1.00 31.12 H new ATOM 0 HD21 LEU A 26 12.056 14.799 -17.587 1.00 31.24 H new ATOM 0 HD22 LEU A 26 13.750 14.303 -17.815 1.00 31.24 H new ATOM 0 HD23 LEU A 26 12.760 14.763 -19.221 1.00 31.24 H new ATOM 411 N ALA A 27 15.331 12.471 -21.964 1.00 4.54 N ATOM 412 CA ALA A 27 16.586 13.051 -22.426 1.00 25.30 C ATOM 413 C ALA A 27 16.418 13.707 -23.792 1.00 70.33 C ATOM 414 O ALA A 27 16.786 14.865 -23.986 1.00 3.45 O ATOM 415 CB ALA A 27 17.671 11.985 -22.480 1.00 42.21 C ATOM 0 H ALA A 27 15.179 11.506 -22.257 1.00 4.54 H new ATOM 0 HA ALA A 27 16.884 13.823 -21.716 1.00 25.30 H new ATOM 0 HB1 ALA A 27 18.603 12.432 -22.827 1.00 42.21 H new ATOM 0 HB2 ALA A 27 17.818 11.565 -21.485 1.00 42.21 H new ATOM 0 HB3 ALA A 27 17.370 11.194 -23.167 1.00 42.21 H new ATOM 421 N VAL A 28 15.860 12.958 -24.738 1.00 54.12 N ATOM 422 CA VAL A 28 15.643 13.467 -26.087 1.00 65.34 C ATOM 423 C VAL A 28 14.928 14.813 -26.059 1.00 63.23 C ATOM 424 O VAL A 28 15.180 15.678 -26.898 1.00 12.42 O ATOM 425 CB VAL A 28 14.821 12.478 -26.935 1.00 14.12 C ATOM 426 CG1 VAL A 28 15.596 11.188 -27.153 1.00 34.42 C ATOM 427 CG2 VAL A 28 13.479 12.199 -26.274 1.00 21.00 C ATOM 0 H VAL A 28 15.550 11.997 -24.595 1.00 54.12 H new ATOM 0 HA VAL A 28 16.627 13.592 -26.540 1.00 65.34 H new ATOM 0 HB VAL A 28 14.634 12.929 -27.909 1.00 14.12 H new ATOM 0 HG11 VAL A 28 14.999 10.502 -27.754 1.00 34.42 H new ATOM 0 HG12 VAL A 28 16.529 11.407 -27.672 1.00 34.42 H new ATOM 0 HG13 VAL A 28 15.816 10.729 -26.189 1.00 34.42 H new ATOM 0 HG21 VAL A 28 12.911 11.499 -26.886 1.00 21.00 H new ATOM 0 HG22 VAL A 28 13.643 11.768 -25.286 1.00 21.00 H new ATOM 0 HG23 VAL A 28 12.921 13.130 -26.176 1.00 21.00 H new ATOM 437 N ARG A 29 14.036 14.982 -25.089 1.00 41.41 N ATOM 438 CA ARG A 29 13.282 16.223 -24.953 1.00 24.14 C ATOM 439 C ARG A 29 14.201 17.377 -24.564 1.00 44.55 C ATOM 440 O ARG A 29 14.027 18.506 -25.026 1.00 22.41 O ATOM 441 CB ARG A 29 12.179 16.061 -23.906 1.00 14.42 C ATOM 442 CG ARG A 29 12.676 15.525 -22.574 1.00 5.14 C ATOM 443 CD ARG A 29 11.569 15.506 -21.532 1.00 31.02 C ATOM 444 NE ARG A 29 11.122 16.852 -21.184 1.00 35.13 N ATOM 445 CZ ARG A 29 10.209 17.105 -20.253 1.00 13.25 C ATOM 446 NH1 ARG A 29 9.649 16.109 -19.579 1.00 45.15 N1+ ATOM 447 NH2 ARG A 29 9.854 18.357 -19.993 1.00 12.13 N ATOM 0 H ARG A 29 13.817 14.276 -24.386 1.00 41.41 H new ATOM 0 HA ARG A 29 12.828 16.451 -25.917 1.00 24.14 H new ATOM 0 HB2 ARG A 29 11.700 17.026 -23.743 1.00 14.42 H new ATOM 0 HB3 ARG A 29 11.416 15.388 -24.296 1.00 14.42 H new ATOM 0 HG2 ARG A 29 13.067 14.516 -22.710 1.00 5.14 H new ATOM 0 HG3 ARG A 29 13.501 16.141 -22.218 1.00 5.14 H new ATOM 0 HD2 ARG A 29 10.725 14.930 -21.911 1.00 31.02 H new ATOM 0 HD3 ARG A 29 11.924 14.999 -20.635 1.00 31.02 H new ATOM 0 HE ARG A 29 11.533 17.641 -21.683 1.00 35.13 H new ATOM 0 HH11 ARG A 29 9.919 15.145 -19.775 1.00 45.15 H new ATOM 0 HH12 ARG A 29 8.948 16.307 -18.865 1.00 45.15 H new ATOM 0 HH21 ARG A 29 10.282 19.126 -20.508 1.00 12.13 H new ATOM 0 HH22 ARG A 29 9.153 18.550 -19.278 1.00 12.13 H new ATOM 461 N PHE A 30 15.180 17.088 -23.713 1.00 72.31 N ATOM 462 CA PHE A 30 16.126 18.102 -23.262 1.00 33.53 C ATOM 463 C PHE A 30 17.247 18.290 -24.279 1.00 4.11 C ATOM 464 O PHE A 30 17.895 19.337 -24.321 1.00 14.02 O ATOM 465 CB PHE A 30 16.714 17.712 -21.904 1.00 14.43 C ATOM 466 CG PHE A 30 15.679 17.552 -20.826 1.00 43.54 C ATOM 467 CD1 PHE A 30 15.883 16.670 -19.778 1.00 11.45 C ATOM 468 CD2 PHE A 30 14.503 18.284 -20.863 1.00 20.10 C ATOM 469 CE1 PHE A 30 14.933 16.521 -18.784 1.00 44.13 C ATOM 470 CE2 PHE A 30 13.550 18.139 -19.872 1.00 41.15 C ATOM 471 CZ PHE A 30 13.765 17.256 -18.833 1.00 31.25 C ATOM 0 H PHE A 30 15.339 16.160 -23.322 1.00 72.31 H new ATOM 0 HA PHE A 30 15.589 19.045 -23.161 1.00 33.53 H new ATOM 0 HB2 PHE A 30 17.264 16.777 -22.010 1.00 14.43 H new ATOM 0 HB3 PHE A 30 17.433 18.472 -21.597 1.00 14.43 H new ATOM 0 HD1 PHE A 30 16.794 16.092 -19.736 1.00 11.45 H new ATOM 0 HD2 PHE A 30 14.329 18.975 -21.675 1.00 20.10 H new ATOM 0 HE1 PHE A 30 15.104 15.831 -17.971 1.00 44.13 H new ATOM 0 HE2 PHE A 30 12.638 18.716 -19.911 1.00 41.15 H new ATOM 0 HZ PHE A 30 13.021 17.140 -18.059 1.00 31.25 H new ATOM 481 N THR A 31 17.473 17.268 -25.099 1.00 20.14 N ATOM 482 CA THR A 31 18.517 17.319 -26.114 1.00 72.24 C ATOM 483 C THR A 31 18.118 18.233 -27.267 1.00 40.02 C ATOM 484 O THR A 31 18.944 18.976 -27.797 1.00 62.01 O ATOM 485 CB THR A 31 18.828 15.916 -26.670 1.00 44.54 C ATOM 486 OG1 THR A 31 18.967 14.982 -25.594 1.00 42.40 O ATOM 487 CG2 THR A 31 20.103 15.934 -27.501 1.00 11.43 C ATOM 0 H THR A 31 16.946 16.395 -25.079 1.00 20.14 H new ATOM 0 HA THR A 31 19.409 17.717 -25.631 1.00 72.24 H new ATOM 0 HB THR A 31 18.000 15.611 -27.310 1.00 44.54 H new ATOM 0 HG1 THR A 31 18.103 14.867 -25.147 1.00 42.40 H new ATOM 0 HG21 THR A 31 20.302 14.933 -27.883 1.00 11.43 H new ATOM 0 HG22 THR A 31 19.983 16.624 -28.336 1.00 11.43 H new ATOM 0 HG23 THR A 31 20.938 16.258 -26.880 1.00 11.43 H new ATOM 495 N SER A 32 16.847 18.174 -27.651 1.00 13.14 N ATOM 496 CA SER A 32 16.339 18.996 -28.743 1.00 12.23 C ATOM 497 C SER A 32 15.626 20.234 -28.205 1.00 62.51 C ATOM 498 O SER A 32 15.735 21.322 -28.771 1.00 3.20 O ATOM 499 CB SER A 32 15.383 18.184 -29.619 1.00 24.10 C ATOM 500 OG SER A 32 14.217 18.928 -29.927 1.00 63.44 O ATOM 0 H SER A 32 16.150 17.565 -27.222 1.00 13.14 H new ATOM 0 HA SER A 32 17.187 19.319 -29.346 1.00 12.23 H new ATOM 0 HB2 SER A 32 15.887 17.894 -30.541 1.00 24.10 H new ATOM 0 HB3 SER A 32 15.106 17.264 -29.104 1.00 24.10 H new ATOM 0 HG SER A 32 13.623 18.388 -30.489 1.00 63.44 H new ATOM 506 N LEU A 33 14.896 20.059 -27.109 1.00 64.51 N ATOM 507 CA LEU A 33 14.165 21.160 -26.493 1.00 10.20 C ATOM 508 C LEU A 33 13.174 21.773 -27.477 1.00 14.22 C ATOM 509 O LEU A 33 12.722 22.903 -27.296 1.00 42.30 O ATOM 510 CB LEU A 33 15.139 22.231 -25.998 1.00 55.33 C ATOM 511 CG LEU A 33 15.022 22.614 -24.522 1.00 41.04 C ATOM 512 CD1 LEU A 33 13.567 22.844 -24.144 1.00 22.43 C ATOM 513 CD2 LEU A 33 15.641 21.538 -23.642 1.00 51.10 C ATOM 0 H LEU A 33 14.795 19.165 -26.629 1.00 64.51 H new ATOM 0 HA LEU A 33 13.608 20.764 -25.644 1.00 10.20 H new ATOM 0 HB2 LEU A 33 16.155 21.883 -26.183 1.00 55.33 H new ATOM 0 HB3 LEU A 33 14.996 23.129 -26.598 1.00 55.33 H new ATOM 0 HG LEU A 33 15.568 23.544 -24.363 1.00 41.04 H new ATOM 0 HD11 LEU A 33 13.503 23.116 -23.090 1.00 22.43 H new ATOM 0 HD12 LEU A 33 13.156 23.650 -24.752 1.00 22.43 H new ATOM 0 HD13 LEU A 33 12.997 21.931 -24.319 1.00 22.43 H new ATOM 0 HD21 LEU A 33 15.549 21.827 -22.595 1.00 51.10 H new ATOM 0 HD22 LEU A 33 15.123 20.593 -23.805 1.00 51.10 H new ATOM 0 HD23 LEU A 33 16.695 21.423 -23.895 1.00 51.10 H new ATOM 525 N GLY A 34 12.837 21.018 -28.518 1.00 42.13 N ATOM 526 CA GLY A 34 11.899 21.503 -29.514 1.00 21.32 C ATOM 527 C GLY A 34 10.486 21.611 -28.975 1.00 64.20 C ATOM 528 O GLY A 34 10.195 21.135 -27.878 1.00 24.22 O ATOM 0 H GLY A 34 13.197 20.079 -28.690 1.00 42.13 H new ATOM 0 HA2 GLY A 34 12.225 22.480 -29.870 1.00 21.32 H new ATOM 0 HA3 GLY A 34 11.907 20.832 -30.373 1.00 21.32 H new HETATM 532 N NH2 A 35 9.623 22.179 -29.640 1.00 0.00 N TER 535 NH2 A 35