USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=5 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= -0.0393 X(o=-0.039,f=-0.2) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.37 K(o=-2.4,f=-0.29) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 31 THR OG1 : rot 28:sc= 0.424 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.592 0.711 0.191 1.00 44.11 N ATOM 2 CA GLY A 1 2.319 0.681 -1.065 1.00 11.50 C ATOM 3 C GLY A 1 3.057 -0.626 -1.277 1.00 55.34 C ATOM 4 O GLY A 1 4.043 -0.907 -0.596 1.00 72.55 O ATOM 0 H1 GLY A 1 1.105 1.625 0.288 1.00 44.11 H new ATOM 0 H2 GLY A 1 0.892 -0.058 0.205 1.00 44.11 H new ATOM 0 H3 GLY A 1 2.258 0.588 0.980 1.00 44.11 H new ATOM 0 HA2 GLY A 1 1.622 0.839 -1.888 1.00 11.50 H new ATOM 0 HA3 GLY A 1 3.032 1.505 -1.088 1.00 11.50 H new ATOM 10 N ASP A 2 2.577 -1.426 -2.223 1.00 24.52 N ATOM 11 CA ASP A 2 3.198 -2.711 -2.523 1.00 62.43 C ATOM 12 C ASP A 2 3.232 -2.960 -4.028 1.00 42.21 C ATOM 13 O ASP A 2 4.296 -2.937 -4.646 1.00 51.31 O ATOM 14 CB ASP A 2 2.443 -3.843 -1.824 1.00 51.21 C ATOM 15 CG ASP A 2 3.106 -5.191 -2.023 1.00 61.44 C ATOM 16 OD1 ASP A 2 3.171 -5.656 -3.181 1.00 41.32 O ATOM 17 OD2 ASP A 2 3.561 -5.782 -1.022 1.00 31.21 O1- ATOM 0 H ASP A 2 1.761 -1.208 -2.795 1.00 24.52 H new ATOM 0 HA ASP A 2 4.223 -2.686 -2.153 1.00 62.43 H new ATOM 0 HB2 ASP A 2 2.378 -3.628 -0.757 1.00 51.21 H new ATOM 0 HB3 ASP A 2 1.422 -3.884 -2.204 1.00 51.21 H new ATOM 22 N GLU A 3 2.061 -3.198 -4.610 1.00 70.01 N ATOM 23 CA GLU A 3 1.958 -3.453 -6.042 1.00 63.02 C ATOM 24 C GLU A 3 2.098 -2.158 -6.837 1.00 12.32 C ATOM 25 O GLU A 3 2.458 -2.175 -8.014 1.00 3.02 O ATOM 26 CB GLU A 3 0.622 -4.123 -6.369 1.00 21.22 C ATOM 27 CG GLU A 3 0.364 -5.388 -5.568 1.00 34.14 C ATOM 28 CD GLU A 3 -0.911 -6.094 -5.987 1.00 62.45 C ATOM 29 OE1 GLU A 3 -0.818 -7.232 -6.495 1.00 52.23 O ATOM 30 OE2 GLU A 3 -2.000 -5.511 -5.809 1.00 1.42 O1- ATOM 0 H GLU A 3 1.171 -3.220 -4.112 1.00 70.01 H new ATOM 0 HA GLU A 3 2.771 -4.122 -6.325 1.00 63.02 H new ATOM 0 HB2 GLU A 3 -0.185 -3.414 -6.184 1.00 21.22 H new ATOM 0 HB3 GLU A 3 0.596 -4.364 -7.432 1.00 21.22 H new ATOM 0 HG2 GLU A 3 1.208 -6.068 -5.688 1.00 34.14 H new ATOM 0 HG3 GLU A 3 0.305 -5.137 -4.509 1.00 34.14 H new ATOM 37 N ARG A 4 1.809 -1.036 -6.185 1.00 31.44 N ATOM 38 CA ARG A 4 1.901 0.268 -6.829 1.00 64.14 C ATOM 39 C ARG A 4 3.156 1.010 -6.378 1.00 12.03 C ATOM 40 O ARG A 4 3.402 2.143 -6.791 1.00 1.41 O ATOM 41 CB ARG A 4 0.660 1.105 -6.516 1.00 31.14 C ATOM 42 CG ARG A 4 -0.333 1.177 -7.664 1.00 65.25 C ATOM 43 CD ARG A 4 -1.745 1.438 -7.165 1.00 41.31 C ATOM 44 NE ARG A 4 -2.483 0.199 -6.936 1.00 24.12 N ATOM 45 CZ ARG A 4 -3.591 0.128 -6.207 1.00 71.44 C ATOM 46 NH1 ARG A 4 -4.088 1.219 -5.641 1.00 64.30 N1+ ATOM 47 NH2 ARG A 4 -4.206 -1.037 -6.045 1.00 23.13 N ATOM 0 H ARG A 4 1.509 -1.005 -5.211 1.00 31.44 H new ATOM 0 HA ARG A 4 1.961 0.109 -7.906 1.00 64.14 H new ATOM 0 HB2 ARG A 4 0.161 0.687 -5.642 1.00 31.14 H new ATOM 0 HB3 ARG A 4 0.971 2.116 -6.252 1.00 31.14 H new ATOM 0 HG2 ARG A 4 -0.037 1.968 -8.353 1.00 65.25 H new ATOM 0 HG3 ARG A 4 -0.311 0.242 -8.224 1.00 65.25 H new ATOM 0 HD2 ARG A 4 -1.702 2.011 -6.238 1.00 41.31 H new ATOM 0 HD3 ARG A 4 -2.279 2.049 -7.893 1.00 41.31 H new ATOM 0 HE ARG A 4 -2.128 -0.659 -7.359 1.00 24.12 H new ATOM 0 HH11 ARG A 4 -3.619 2.116 -5.765 1.00 64.30 H new ATOM 0 HH12 ARG A 4 -4.939 1.161 -5.082 1.00 64.30 H new ATOM 0 HH21 ARG A 4 -3.828 -1.878 -6.480 1.00 23.13 H new ATOM 0 HH22 ARG A 4 -5.057 -1.091 -5.485 1.00 23.13 H new ATOM 61 N PHE A 5 3.945 0.363 -5.527 1.00 4.34 N ATOM 62 CA PHE A 5 5.174 0.962 -5.018 1.00 30.12 C ATOM 63 C PHE A 5 6.389 0.125 -5.408 1.00 32.13 C ATOM 64 O PHE A 5 7.502 0.639 -5.515 1.00 3.32 O ATOM 65 CB PHE A 5 5.105 1.103 -3.496 1.00 2.32 C ATOM 66 CG PHE A 5 4.476 2.389 -3.041 1.00 75.11 C ATOM 67 CD1 PHE A 5 3.202 2.739 -3.461 1.00 23.41 C ATOM 68 CD2 PHE A 5 5.157 3.248 -2.194 1.00 62.12 C ATOM 69 CE1 PHE A 5 2.620 3.921 -3.044 1.00 32.30 C ATOM 70 CE2 PHE A 5 4.580 4.431 -1.774 1.00 13.03 C ATOM 71 CZ PHE A 5 3.310 4.768 -2.200 1.00 50.51 C ATOM 0 H PHE A 5 3.756 -0.576 -5.175 1.00 4.34 H new ATOM 0 HA PHE A 5 5.278 1.951 -5.463 1.00 30.12 H new ATOM 0 HB2 PHE A 5 4.539 0.266 -3.087 1.00 2.32 H new ATOM 0 HB3 PHE A 5 6.113 1.036 -3.087 1.00 2.32 H new ATOM 0 HD1 PHE A 5 2.658 2.080 -4.122 1.00 23.41 H new ATOM 0 HD2 PHE A 5 6.150 2.990 -1.858 1.00 62.12 H new ATOM 0 HE1 PHE A 5 1.627 4.182 -3.378 1.00 32.30 H new ATOM 0 HE2 PHE A 5 5.121 5.092 -1.113 1.00 13.03 H new ATOM 0 HZ PHE A 5 2.858 5.693 -1.873 1.00 50.51 H new ATOM 81 N TYR A 6 6.166 -1.168 -5.618 1.00 40.41 N ATOM 82 CA TYR A 6 7.242 -2.078 -5.992 1.00 41.43 C ATOM 83 C TYR A 6 7.266 -2.302 -7.501 1.00 51.11 C ATOM 84 O TYR A 6 8.268 -2.750 -8.058 1.00 1.44 O ATOM 85 CB TYR A 6 7.081 -3.416 -5.269 1.00 2.20 C ATOM 86 CG TYR A 6 7.036 -3.289 -3.763 1.00 44.50 C ATOM 87 CD1 TYR A 6 7.680 -2.241 -3.115 1.00 61.14 C ATOM 88 CD2 TYR A 6 6.351 -4.216 -2.988 1.00 4.23 C ATOM 89 CE1 TYR A 6 7.643 -2.121 -1.740 1.00 35.14 C ATOM 90 CE2 TYR A 6 6.307 -4.103 -1.612 1.00 2.14 C ATOM 91 CZ TYR A 6 6.954 -3.054 -0.992 1.00 64.13 C ATOM 92 OH TYR A 6 6.914 -2.939 0.378 1.00 0.24 O ATOM 0 H TYR A 6 5.250 -1.609 -5.536 1.00 40.41 H new ATOM 0 HA TYR A 6 8.187 -1.624 -5.695 1.00 41.43 H new ATOM 0 HB2 TYR A 6 6.165 -3.897 -5.612 1.00 2.20 H new ATOM 0 HB3 TYR A 6 7.908 -4.071 -5.545 1.00 2.20 H new ATOM 0 HD1 TYR A 6 8.219 -1.508 -3.697 1.00 61.14 H new ATOM 0 HD2 TYR A 6 5.844 -5.039 -3.469 1.00 4.23 H new ATOM 0 HE1 TYR A 6 8.150 -1.302 -1.253 1.00 35.14 H new ATOM 0 HE2 TYR A 6 5.769 -4.832 -1.024 1.00 2.14 H new ATOM 0 HH TYR A 6 6.387 -3.675 0.753 1.00 0.24 H new ATOM 102 N ALA A 7 6.154 -1.987 -8.157 1.00 40.52 N ATOM 103 CA ALA A 7 6.047 -2.151 -9.602 1.00 14.24 C ATOM 104 C ALA A 7 5.812 -0.811 -10.291 1.00 12.14 C ATOM 105 O ALA A 7 6.116 -0.649 -11.472 1.00 1.12 O ATOM 106 CB ALA A 7 4.927 -3.124 -9.940 1.00 61.02 C ATOM 0 H ALA A 7 5.315 -1.617 -7.711 1.00 40.52 H new ATOM 0 HA ALA A 7 6.990 -2.557 -9.968 1.00 14.24 H new ATOM 0 HB1 ALA A 7 4.858 -3.237 -11.022 1.00 61.02 H new ATOM 0 HB2 ALA A 7 5.137 -4.093 -9.486 1.00 61.02 H new ATOM 0 HB3 ALA A 7 3.983 -2.740 -9.554 1.00 61.02 H new ATOM 112 N GLU A 8 5.268 0.146 -9.545 1.00 22.25 N ATOM 113 CA GLU A 8 4.990 1.471 -10.086 1.00 65.11 C ATOM 114 C GLU A 8 6.032 2.481 -9.614 1.00 64.10 C ATOM 115 O GLU A 8 6.084 3.611 -10.102 1.00 30.43 O ATOM 116 CB GLU A 8 3.592 1.933 -9.672 1.00 31.25 C ATOM 117 CG GLU A 8 2.593 1.954 -10.817 1.00 25.03 C ATOM 118 CD GLU A 8 2.983 2.927 -11.912 1.00 40.14 C ATOM 119 OE1 GLU A 8 3.734 3.881 -11.619 1.00 24.54 O ATOM 120 OE2 GLU A 8 2.537 2.736 -13.063 1.00 32.12 O1- ATOM 0 H GLU A 8 5.011 0.028 -8.565 1.00 22.25 H new ATOM 0 HA GLU A 8 5.036 1.408 -11.173 1.00 65.11 H new ATOM 0 HB2 GLU A 8 3.219 1.275 -8.887 1.00 31.25 H new ATOM 0 HB3 GLU A 8 3.661 2.933 -9.243 1.00 31.25 H new ATOM 0 HG2 GLU A 8 2.508 0.953 -11.239 1.00 25.03 H new ATOM 0 HG3 GLU A 8 1.609 2.222 -10.431 1.00 25.03 H new ATOM 127 N HIS A 9 6.861 2.066 -8.661 1.00 61.11 N ATOM 128 CA HIS A 9 7.902 2.934 -8.122 1.00 30.21 C ATOM 129 C HIS A 9 9.262 2.244 -8.167 1.00 30.32 C ATOM 130 O HIS A 9 10.217 2.689 -7.529 1.00 21.32 O ATOM 131 CB HIS A 9 7.568 3.334 -6.685 1.00 14.53 C ATOM 132 CG HIS A 9 7.772 4.792 -6.406 1.00 71.23 C ATOM 133 ND1 HIS A 9 7.232 5.791 -7.189 1.00 21.50 N ATOM 134 CD2 HIS A 9 8.460 5.417 -5.423 1.00 5.20 C ATOM 135 CE1 HIS A 9 7.581 6.967 -6.700 1.00 43.13 C ATOM 136 NE2 HIS A 9 8.327 6.768 -5.628 1.00 53.41 N ATOM 0 H HIS A 9 6.832 1.135 -8.246 1.00 61.11 H new ATOM 0 HA HIS A 9 7.949 3.831 -8.740 1.00 30.21 H new ATOM 0 HB2 HIS A 9 6.530 3.074 -6.476 1.00 14.53 H new ATOM 0 HB3 HIS A 9 8.186 2.752 -6.002 1.00 14.53 H new ATOM 0 HD2 HIS A 9 9.011 4.942 -4.625 1.00 5.20 H new ATOM 0 HE1 HIS A 9 7.304 7.928 -7.107 1.00 43.13 H new ATOM 0 HE2 HIS A 9 8.737 7.499 -5.047 1.00 53.41 H new ATOM 144 N LEU A 10 9.343 1.155 -8.923 1.00 75.32 N ATOM 145 CA LEU A 10 10.586 0.402 -9.050 1.00 75.34 C ATOM 146 C LEU A 10 10.906 0.123 -10.515 1.00 41.55 C ATOM 147 O LEU A 10 12.050 0.260 -10.947 1.00 64.03 O ATOM 148 CB LEU A 10 10.488 -0.915 -8.279 1.00 21.52 C ATOM 149 CG LEU A 10 11.737 -1.331 -7.500 1.00 72.11 C ATOM 150 CD1 LEU A 10 11.351 -1.981 -6.181 1.00 21.35 C ATOM 151 CD2 LEU A 10 12.594 -2.275 -8.331 1.00 41.52 C ATOM 0 H LEU A 10 8.563 0.773 -9.458 1.00 75.32 H new ATOM 0 HA LEU A 10 11.391 1.004 -8.629 1.00 75.34 H new ATOM 0 HB2 LEU A 10 9.655 -0.842 -7.579 1.00 21.52 H new ATOM 0 HB3 LEU A 10 10.243 -1.709 -8.985 1.00 21.52 H new ATOM 0 HG LEU A 10 12.322 -0.437 -7.284 1.00 72.11 H new ATOM 0 HD11 LEU A 10 12.252 -2.270 -5.641 1.00 21.35 H new ATOM 0 HD12 LEU A 10 10.779 -1.274 -5.580 1.00 21.35 H new ATOM 0 HD13 LEU A 10 10.745 -2.866 -6.375 1.00 21.35 H new ATOM 0 HD21 LEU A 10 13.478 -2.561 -7.761 1.00 41.52 H new ATOM 0 HD22 LEU A 10 12.018 -3.167 -8.578 1.00 41.52 H new ATOM 0 HD23 LEU A 10 12.900 -1.775 -9.250 1.00 41.52 H new ATOM 163 N MET A 11 9.887 -0.265 -11.275 1.00 64.33 N ATOM 164 CA MET A 11 10.061 -0.560 -12.693 1.00 13.10 C ATOM 165 C MET A 11 10.359 0.712 -13.480 1.00 43.10 C ATOM 166 O MET A 11 11.406 0.847 -14.114 1.00 71.04 O ATOM 167 CB MET A 11 8.808 -1.237 -13.252 1.00 30.21 C ATOM 168 CG MET A 11 9.063 -2.634 -13.794 1.00 30.54 C ATOM 169 SD MET A 11 9.211 -3.869 -12.488 1.00 72.31 S ATOM 170 CE MET A 11 8.411 -5.274 -13.259 1.00 22.40 C ATOM 0 H MET A 11 8.933 -0.382 -10.933 1.00 64.33 H new ATOM 0 HA MET A 11 10.909 -1.237 -12.796 1.00 13.10 H new ATOM 0 HB2 MET A 11 8.054 -1.293 -12.467 1.00 30.21 H new ATOM 0 HB3 MET A 11 8.394 -0.617 -14.048 1.00 30.21 H new ATOM 0 HG2 MET A 11 8.249 -2.914 -14.463 1.00 30.54 H new ATOM 0 HG3 MET A 11 9.977 -2.628 -14.388 1.00 30.54 H new ATOM 0 HE1 MET A 11 8.423 -6.121 -12.573 1.00 22.40 H new ATOM 0 HE2 MET A 11 7.380 -5.018 -13.502 1.00 22.40 H new ATOM 0 HE3 MET A 11 8.943 -5.540 -14.172 1.00 22.40 H new ATOM 180 N PRO A 12 9.419 1.668 -13.440 1.00 45.21 N ATOM 181 CA PRO A 12 9.560 2.946 -14.144 1.00 50.31 C ATOM 182 C PRO A 12 10.631 3.836 -13.522 1.00 52.12 C ATOM 183 O PRO A 12 10.980 4.882 -14.071 1.00 30.03 O ATOM 184 CB PRO A 12 8.178 3.588 -13.994 1.00 23.20 C ATOM 185 CG PRO A 12 7.610 2.979 -12.759 1.00 22.22 C ATOM 186 CD PRO A 12 8.147 1.575 -12.704 1.00 44.41 C ATOM 0 HA PRO A 12 9.871 2.808 -15.179 1.00 50.31 H new ATOM 0 HB2 PRO A 12 8.253 4.672 -13.903 1.00 23.20 H new ATOM 0 HB3 PRO A 12 7.550 3.383 -14.861 1.00 23.20 H new ATOM 0 HG2 PRO A 12 7.904 3.544 -11.875 1.00 22.22 H new ATOM 0 HG3 PRO A 12 6.520 2.979 -12.790 1.00 22.22 H new ATOM 0 HD2 PRO A 12 8.300 1.243 -11.677 1.00 44.41 H new ATOM 0 HD3 PRO A 12 7.464 0.865 -13.170 1.00 44.41 H new ATOM 194 N THR A 13 11.150 3.414 -12.373 1.00 42.43 N ATOM 195 CA THR A 13 12.181 4.173 -11.677 1.00 3.04 C ATOM 196 C THR A 13 13.566 3.593 -11.944 1.00 54.41 C ATOM 197 O THR A 13 14.489 4.315 -12.323 1.00 25.22 O ATOM 198 CB THR A 13 11.932 4.196 -10.157 1.00 33.12 C ATOM 199 OG1 THR A 13 10.763 4.969 -9.864 1.00 13.21 O ATOM 200 CG2 THR A 13 13.129 4.778 -9.420 1.00 52.25 C ATOM 0 H THR A 13 10.873 2.551 -11.905 1.00 42.43 H new ATOM 0 HA THR A 13 12.136 5.192 -12.061 1.00 3.04 H new ATOM 0 HB THR A 13 11.783 3.170 -9.820 1.00 33.12 H new ATOM 0 HG1 THR A 13 10.610 4.977 -8.896 1.00 13.21 H new ATOM 0 HG21 THR A 13 12.929 4.784 -8.349 1.00 52.25 H new ATOM 0 HG22 THR A 13 14.011 4.170 -9.621 1.00 52.25 H new ATOM 0 HG23 THR A 13 13.306 5.798 -9.761 1.00 52.25 H new ATOM 208 N LEU A 14 13.703 2.287 -11.746 1.00 2.12 N ATOM 209 CA LEU A 14 14.976 1.609 -11.968 1.00 12.42 C ATOM 210 C LEU A 14 15.170 1.287 -13.446 1.00 22.41 C ATOM 211 O LEU A 14 16.299 1.143 -13.916 1.00 35.13 O ATOM 212 CB LEU A 14 15.043 0.325 -11.140 1.00 61.44 C ATOM 213 CG LEU A 14 16.379 0.038 -10.454 1.00 31.43 C ATOM 214 CD1 LEU A 14 16.164 -0.777 -9.188 1.00 21.51 C ATOM 215 CD2 LEU A 14 17.322 -0.687 -11.403 1.00 51.22 C ATOM 0 H LEU A 14 12.949 1.676 -11.432 1.00 2.12 H new ATOM 0 HA LEU A 14 15.777 2.278 -11.653 1.00 12.42 H new ATOM 0 HB2 LEU A 14 14.267 0.368 -10.376 1.00 61.44 H new ATOM 0 HB3 LEU A 14 14.803 -0.516 -11.791 1.00 61.44 H new ATOM 0 HG LEU A 14 16.835 0.989 -10.177 1.00 31.43 H new ATOM 0 HD11 LEU A 14 17.126 -0.972 -8.713 1.00 21.51 H new ATOM 0 HD12 LEU A 14 15.526 -0.221 -8.501 1.00 21.51 H new ATOM 0 HD13 LEU A 14 15.686 -1.723 -9.441 1.00 21.51 H new ATOM 0 HD21 LEU A 14 18.268 -0.883 -10.897 1.00 51.22 H new ATOM 0 HD22 LEU A 14 16.873 -1.631 -11.711 1.00 51.22 H new ATOM 0 HD23 LEU A 14 17.502 -0.067 -12.281 1.00 51.22 H new ATOM 227 N GLN A 15 14.063 1.176 -14.173 1.00 0.42 N ATOM 228 CA GLN A 15 14.113 0.873 -15.598 1.00 73.41 C ATOM 229 C GLN A 15 13.275 1.867 -16.396 1.00 64.31 C ATOM 230 O GLN A 15 12.514 1.482 -17.282 1.00 70.33 O ATOM 231 CB GLN A 15 13.617 -0.552 -15.855 1.00 41.50 C ATOM 232 CG GLN A 15 14.543 -1.626 -15.308 1.00 42.13 C ATOM 233 CD GLN A 15 13.912 -2.424 -14.184 1.00 40.15 C ATOM 234 OE1 GLN A 15 13.998 -3.652 -14.155 1.00 53.13 O ATOM 235 NE2 GLN A 15 13.273 -1.729 -13.251 1.00 1.42 N ATOM 0 H GLN A 15 13.121 1.291 -13.799 1.00 0.42 H new ATOM 0 HA GLN A 15 15.150 0.955 -15.925 1.00 73.41 H new ATOM 0 HB2 GLN A 15 12.631 -0.671 -15.406 1.00 41.50 H new ATOM 0 HB3 GLN A 15 13.498 -0.699 -16.929 1.00 41.50 H new ATOM 0 HG2 GLN A 15 14.825 -2.302 -16.115 1.00 42.13 H new ATOM 0 HG3 GLN A 15 15.460 -1.160 -14.947 1.00 42.13 H new ATOM 0 HE21 GLN A 15 13.227 -0.712 -13.315 1.00 1.42 H new ATOM 0 HE22 GLN A 15 12.828 -2.212 -12.470 1.00 1.42 H new ATOM 244 N GLY A 16 13.422 3.149 -16.075 1.00 32.33 N ATOM 245 CA GLY A 16 12.671 4.178 -16.770 1.00 1.14 C ATOM 246 C GLY A 16 13.189 5.572 -16.475 1.00 71.10 C ATOM 247 O GLY A 16 13.170 6.446 -17.343 1.00 62.31 O ATOM 0 H GLY A 16 14.047 3.493 -15.346 1.00 32.33 H new ATOM 0 HA2 GLY A 16 12.718 3.996 -17.844 1.00 1.14 H new ATOM 0 HA3 GLY A 16 11.622 4.115 -16.482 1.00 1.14 H new ATOM 251 N LEU A 17 13.651 5.782 -15.248 1.00 1.35 N ATOM 252 CA LEU A 17 14.175 7.081 -14.840 1.00 2.24 C ATOM 253 C LEU A 17 15.642 7.224 -15.232 1.00 23.03 C ATOM 254 O LEU A 17 16.257 8.268 -15.008 1.00 22.42 O ATOM 255 CB LEU A 17 14.019 7.265 -13.329 1.00 20.40 C ATOM 256 CG LEU A 17 13.113 8.413 -12.882 1.00 63.33 C ATOM 257 CD1 LEU A 17 13.546 9.718 -13.533 1.00 33.35 C ATOM 258 CD2 LEU A 17 11.660 8.106 -13.214 1.00 22.55 C ATOM 0 H LEU A 17 13.674 5.070 -14.518 1.00 1.35 H new ATOM 0 HA LEU A 17 13.603 7.853 -15.355 1.00 2.24 H new ATOM 0 HB2 LEU A 17 13.630 6.337 -12.909 1.00 20.40 H new ATOM 0 HB3 LEU A 17 15.008 7.421 -12.898 1.00 20.40 H new ATOM 0 HG LEU A 17 13.203 8.522 -11.801 1.00 63.33 H new ATOM 0 HD11 LEU A 17 12.890 10.524 -13.204 1.00 33.35 H new ATOM 0 HD12 LEU A 17 14.573 9.945 -13.245 1.00 33.35 H new ATOM 0 HD13 LEU A 17 13.486 9.621 -14.617 1.00 33.35 H new ATOM 0 HD21 LEU A 17 11.030 8.934 -12.889 1.00 22.55 H new ATOM 0 HD22 LEU A 17 11.554 7.970 -14.290 1.00 22.55 H new ATOM 0 HD23 LEU A 17 11.354 7.194 -12.701 1.00 22.55 H new ATOM 270 N LEU A 18 16.197 6.170 -15.820 1.00 23.04 N ATOM 271 CA LEU A 18 17.593 6.178 -16.246 1.00 15.03 C ATOM 272 C LEU A 18 17.838 5.131 -17.327 1.00 73.40 C ATOM 273 O LEU A 18 18.962 4.661 -17.507 1.00 54.43 O ATOM 274 CB LEU A 18 18.513 5.919 -15.051 1.00 55.52 C ATOM 275 CG LEU A 18 17.894 5.154 -13.881 1.00 11.53 C ATOM 276 CD1 LEU A 18 17.484 3.755 -14.314 1.00 45.42 C ATOM 277 CD2 LEU A 18 18.867 5.090 -12.712 1.00 73.53 C ATOM 0 H LEU A 18 15.702 5.299 -16.013 1.00 23.04 H new ATOM 0 HA LEU A 18 17.815 7.161 -16.661 1.00 15.03 H new ATOM 0 HB2 LEU A 18 19.384 5.365 -15.402 1.00 55.52 H new ATOM 0 HB3 LEU A 18 18.874 6.879 -14.681 1.00 55.52 H new ATOM 0 HG LEU A 18 17.000 5.687 -13.556 1.00 11.53 H new ATOM 0 HD11 LEU A 18 17.046 3.226 -13.468 1.00 45.42 H new ATOM 0 HD12 LEU A 18 16.752 3.823 -15.118 1.00 45.42 H new ATOM 0 HD13 LEU A 18 18.361 3.212 -14.667 1.00 45.42 H new ATOM 0 HD21 LEU A 18 18.410 4.542 -11.888 1.00 73.53 H new ATOM 0 HD22 LEU A 18 19.779 4.581 -13.025 1.00 73.53 H new ATOM 0 HD23 LEU A 18 19.110 6.101 -12.385 1.00 73.53 H new ATOM 289 N ASP A 19 16.780 4.770 -18.045 1.00 13.22 N ATOM 290 CA ASP A 19 16.880 3.781 -19.112 1.00 5.12 C ATOM 291 C ASP A 19 17.465 4.403 -20.376 1.00 4.11 C ATOM 292 O ASP A 19 17.323 5.599 -20.632 1.00 4.03 O ATOM 293 CB ASP A 19 15.506 3.182 -19.412 1.00 73.13 C ATOM 294 CG ASP A 19 15.314 1.822 -18.770 1.00 13.32 C ATOM 295 OD1 ASP A 19 14.340 1.128 -19.130 1.00 21.41 O ATOM 296 OD2 ASP A 19 16.137 1.452 -17.907 1.00 44.54 O1- ATOM 0 H ASP A 19 15.843 5.148 -17.907 1.00 13.22 H new ATOM 0 HA ASP A 19 17.548 2.987 -18.777 1.00 5.12 H new ATOM 0 HB2 ASP A 19 14.731 3.861 -19.056 1.00 73.13 H new ATOM 0 HB3 ASP A 19 15.380 3.092 -20.491 1.00 73.13 H new ATOM 301 N PRO A 20 18.140 3.574 -21.186 1.00 44.10 N ATOM 302 CA PRO A 20 18.761 4.021 -22.437 1.00 21.24 C ATOM 303 C PRO A 20 17.729 4.378 -23.501 1.00 10.23 C ATOM 304 O PRO A 20 18.075 4.879 -24.570 1.00 3.31 O ATOM 305 CB PRO A 20 19.585 2.808 -22.877 1.00 12.03 C ATOM 306 CG PRO A 20 18.904 1.640 -22.250 1.00 4.30 C ATOM 307 CD PRO A 20 18.349 2.137 -20.944 1.00 20.33 C ATOM 0 HA PRO A 20 19.351 4.927 -22.298 1.00 21.24 H new ATOM 0 HB2 PRO A 20 19.607 2.717 -23.963 1.00 12.03 H new ATOM 0 HB3 PRO A 20 20.619 2.890 -22.543 1.00 12.03 H new ATOM 0 HG2 PRO A 20 18.110 1.260 -22.892 1.00 4.30 H new ATOM 0 HG3 PRO A 20 19.604 0.820 -22.090 1.00 4.30 H new ATOM 0 HD2 PRO A 20 17.417 1.633 -20.686 1.00 20.33 H new ATOM 0 HD3 PRO A 20 19.043 1.965 -20.121 1.00 20.33 H new ATOM 315 N GLU A 21 16.461 4.118 -23.200 1.00 34.43 N ATOM 316 CA GLU A 21 15.379 4.414 -24.131 1.00 73.34 C ATOM 317 C GLU A 21 14.296 5.253 -23.459 1.00 31.41 C ATOM 318 O GLU A 21 13.667 6.099 -24.094 1.00 61.23 O ATOM 319 CB GLU A 21 14.772 3.117 -24.672 1.00 44.12 C ATOM 320 CG GLU A 21 13.255 3.081 -24.606 1.00 52.15 C ATOM 321 CD GLU A 21 12.667 1.891 -25.340 1.00 41.45 C ATOM 322 OE1 GLU A 21 13.050 1.667 -26.508 1.00 25.12 O ATOM 323 OE2 GLU A 21 11.824 1.185 -24.748 1.00 44.55 O1- ATOM 0 H GLU A 21 16.158 3.703 -22.319 1.00 34.43 H new ATOM 0 HA GLU A 21 15.795 4.986 -24.960 1.00 73.34 H new ATOM 0 HB2 GLU A 21 15.085 2.983 -25.707 1.00 44.12 H new ATOM 0 HB3 GLU A 21 15.172 2.275 -24.107 1.00 44.12 H new ATOM 0 HG2 GLU A 21 12.941 3.051 -23.563 1.00 52.15 H new ATOM 0 HG3 GLU A 21 12.855 4.001 -25.033 1.00 52.15 H new ATOM 330 N SER A 22 14.084 5.011 -22.169 1.00 72.22 N ATOM 331 CA SER A 22 13.074 5.740 -21.411 1.00 22.13 C ATOM 332 C SER A 22 13.635 7.060 -20.889 1.00 34.40 C ATOM 333 O SER A 22 12.977 8.097 -20.961 1.00 0.34 O ATOM 334 CB SER A 22 12.570 4.890 -20.243 1.00 24.41 C ATOM 335 OG SER A 22 11.198 4.571 -20.399 1.00 3.24 O ATOM 0 H SER A 22 14.598 4.316 -21.627 1.00 72.22 H new ATOM 0 HA SER A 22 12.240 5.958 -22.079 1.00 22.13 H new ATOM 0 HB2 SER A 22 13.155 3.972 -20.178 1.00 24.41 H new ATOM 0 HB3 SER A 22 12.717 5.429 -19.307 1.00 24.41 H new ATOM 0 HG SER A 22 10.901 4.026 -19.641 1.00 3.24 H new ATOM 341 N ALA A 23 14.854 7.011 -20.364 1.00 25.21 N ATOM 342 CA ALA A 23 15.505 8.201 -19.831 1.00 11.33 C ATOM 343 C ALA A 23 16.190 8.995 -20.938 1.00 12.10 C ATOM 344 O ALA A 23 16.353 10.211 -20.834 1.00 5.23 O ATOM 345 CB ALA A 23 16.510 7.817 -18.755 1.00 70.31 C ATOM 0 H ALA A 23 15.411 6.159 -20.296 1.00 25.21 H new ATOM 0 HA ALA A 23 14.738 8.835 -19.386 1.00 11.33 H new ATOM 0 HB1 ALA A 23 16.988 8.716 -18.366 1.00 70.31 H new ATOM 0 HB2 ALA A 23 15.996 7.300 -17.945 1.00 70.31 H new ATOM 0 HB3 ALA A 23 17.267 7.159 -19.182 1.00 70.31 H new ATOM 351 N HIS A 24 16.589 8.300 -21.998 1.00 62.21 N ATOM 352 CA HIS A 24 17.258 8.941 -23.125 1.00 71.50 C ATOM 353 C HIS A 24 16.279 9.799 -23.921 1.00 62.41 C ATOM 354 O HIS A 24 16.622 10.892 -24.371 1.00 54.12 O ATOM 355 CB HIS A 24 17.889 7.888 -24.036 1.00 62.44 C ATOM 356 CG HIS A 24 17.742 8.192 -25.495 1.00 50.54 C ATOM 357 ND1 HIS A 24 18.661 8.936 -26.205 1.00 52.33 N ATOM 358 CD2 HIS A 24 16.776 7.848 -26.379 1.00 21.22 C ATOM 359 CE1 HIS A 24 18.266 9.037 -27.462 1.00 15.42 C ATOM 360 NE2 HIS A 24 17.125 8.385 -27.593 1.00 54.15 N ATOM 0 H HIS A 24 16.461 7.293 -22.101 1.00 62.21 H new ATOM 0 HA HIS A 24 18.043 9.587 -22.731 1.00 71.50 H new ATOM 0 HB2 HIS A 24 18.949 7.801 -23.797 1.00 62.44 H new ATOM 0 HB3 HIS A 24 17.434 6.920 -23.828 1.00 62.44 H new ATOM 0 HD2 HIS A 24 15.895 7.260 -26.168 1.00 21.22 H new ATOM 0 HE1 HIS A 24 18.787 9.563 -28.248 1.00 15.42 H new ATOM 0 HE2 HIS A 24 16.590 8.295 -28.457 1.00 54.15 H new ATOM 368 N ARG A 25 15.061 9.295 -24.091 1.00 41.11 N ATOM 369 CA ARG A 25 14.034 10.015 -24.835 1.00 30.52 C ATOM 370 C ARG A 25 13.478 11.173 -24.012 1.00 31.12 C ATOM 371 O ARG A 25 13.180 12.242 -24.547 1.00 20.24 O ATOM 372 CB ARG A 25 12.901 9.065 -25.230 1.00 1.43 C ATOM 373 CG ARG A 25 12.143 8.494 -24.042 1.00 44.14 C ATOM 374 CD ARG A 25 10.869 9.276 -23.766 1.00 51.31 C ATOM 375 NE ARG A 25 9.971 9.285 -24.918 1.00 63.41 N ATOM 376 CZ ARG A 25 8.823 9.952 -24.950 1.00 70.41 C ATOM 377 NH1 ARG A 25 8.435 10.661 -23.899 1.00 71.12 N1+ ATOM 378 NH2 ARG A 25 8.060 9.910 -26.035 1.00 44.32 N ATOM 0 H ARG A 25 14.761 8.392 -23.724 1.00 41.11 H new ATOM 0 HA ARG A 25 14.491 10.420 -25.738 1.00 30.52 H new ATOM 0 HB2 ARG A 25 12.201 9.596 -25.875 1.00 1.43 H new ATOM 0 HB3 ARG A 25 13.314 8.244 -25.815 1.00 1.43 H new ATOM 0 HG2 ARG A 25 11.896 7.450 -24.234 1.00 44.14 H new ATOM 0 HG3 ARG A 25 12.781 8.513 -23.159 1.00 44.14 H new ATOM 0 HD2 ARG A 25 10.355 8.840 -22.909 1.00 51.31 H new ATOM 0 HD3 ARG A 25 11.124 10.301 -23.497 1.00 51.31 H new ATOM 0 HE ARG A 25 10.240 8.750 -25.743 1.00 63.41 H new ATOM 0 HH11 ARG A 25 9.019 10.695 -23.063 1.00 71.12 H new ATOM 0 HH12 ARG A 25 7.553 11.172 -23.926 1.00 71.12 H new ATOM 0 HH21 ARG A 25 8.355 9.365 -26.845 1.00 44.32 H new ATOM 0 HH22 ARG A 25 7.178 10.423 -26.059 1.00 44.32 H new ATOM 392 N LEU A 26 13.340 10.953 -22.709 1.00 11.40 N ATOM 393 CA LEU A 26 12.820 11.979 -21.811 1.00 71.02 C ATOM 394 C LEU A 26 13.873 13.049 -21.539 1.00 35.33 C ATOM 395 O LEU A 26 13.544 14.180 -21.183 1.00 3.02 O ATOM 396 CB LEU A 26 12.364 11.348 -20.494 1.00 43.31 C ATOM 397 CG LEU A 26 10.945 11.692 -20.041 1.00 31.10 C ATOM 398 CD1 LEU A 26 10.591 10.932 -18.772 1.00 2.53 C ATOM 399 CD2 LEU A 26 10.802 13.191 -19.825 1.00 5.54 C ATOM 0 H LEU A 26 13.581 10.074 -22.251 1.00 11.40 H new ATOM 0 HA LEU A 26 11.965 12.452 -22.295 1.00 71.02 H new ATOM 0 HB2 LEU A 26 12.442 10.265 -20.587 1.00 43.31 H new ATOM 0 HB3 LEU A 26 13.058 11.651 -19.710 1.00 43.31 H new ATOM 0 HG LEU A 26 10.251 11.391 -20.826 1.00 31.10 H new ATOM 0 HD11 LEU A 26 9.577 11.189 -18.464 1.00 2.53 H new ATOM 0 HD12 LEU A 26 10.652 9.860 -18.961 1.00 2.53 H new ATOM 0 HD13 LEU A 26 11.290 11.201 -17.980 1.00 2.53 H new ATOM 0 HD21 LEU A 26 9.785 13.417 -19.503 1.00 5.54 H new ATOM 0 HD22 LEU A 26 11.506 13.517 -19.060 1.00 5.54 H new ATOM 0 HD23 LEU A 26 11.012 13.715 -20.758 1.00 5.54 H new ATOM 411 N ALA A 27 15.139 12.683 -21.710 1.00 74.03 N ATOM 412 CA ALA A 27 16.239 13.612 -21.487 1.00 2.21 C ATOM 413 C ALA A 27 16.618 14.335 -22.775 1.00 74.02 C ATOM 414 O ALA A 27 16.758 15.558 -22.795 1.00 22.15 O ATOM 415 CB ALA A 27 17.444 12.877 -20.919 1.00 32.33 C ATOM 0 H ALA A 27 15.428 11.749 -22.002 1.00 74.03 H new ATOM 0 HA ALA A 27 15.909 14.359 -20.765 1.00 2.21 H new ATOM 0 HB1 ALA A 27 18.258 13.583 -20.757 1.00 32.33 H new ATOM 0 HB2 ALA A 27 17.173 12.412 -19.971 1.00 32.33 H new ATOM 0 HB3 ALA A 27 17.765 12.108 -21.621 1.00 32.33 H new ATOM 421 N VAL A 28 16.782 13.571 -23.851 1.00 0.14 N ATOM 422 CA VAL A 28 17.146 14.139 -25.143 1.00 74.23 C ATOM 423 C VAL A 28 16.229 15.300 -25.511 1.00 11.21 C ATOM 424 O VAL A 28 16.633 16.223 -26.219 1.00 34.11 O ATOM 425 CB VAL A 28 17.085 13.079 -26.259 1.00 24.41 C ATOM 426 CG1 VAL A 28 15.649 12.639 -26.501 1.00 44.22 C ATOM 427 CG2 VAL A 28 17.710 13.615 -27.538 1.00 3.32 C ATOM 0 H VAL A 28 16.668 12.557 -23.853 1.00 0.14 H new ATOM 0 HA VAL A 28 18.170 14.502 -25.052 1.00 74.23 H new ATOM 0 HB VAL A 28 17.657 12.208 -25.940 1.00 24.41 H new ATOM 0 HG11 VAL A 28 15.626 11.890 -27.293 1.00 44.22 H new ATOM 0 HG12 VAL A 28 15.240 12.212 -25.585 1.00 44.22 H new ATOM 0 HG13 VAL A 28 15.050 13.500 -26.799 1.00 44.22 H new ATOM 0 HG21 VAL A 28 17.658 12.853 -28.315 1.00 3.32 H new ATOM 0 HG22 VAL A 28 17.168 14.503 -27.864 1.00 3.32 H new ATOM 0 HG23 VAL A 28 18.752 13.874 -27.353 1.00 3.32 H new ATOM 437 N ARG A 29 14.993 15.248 -25.025 1.00 1.23 N ATOM 438 CA ARG A 29 14.018 16.295 -25.304 1.00 13.13 C ATOM 439 C ARG A 29 14.300 17.538 -24.465 1.00 53.43 C ATOM 440 O ARG A 29 14.213 18.664 -24.956 1.00 53.14 O ATOM 441 CB ARG A 29 12.601 15.789 -25.025 1.00 1.33 C ATOM 442 CG ARG A 29 12.406 15.277 -23.607 1.00 75.01 C ATOM 443 CD ARG A 29 11.009 14.709 -23.408 1.00 11.53 C ATOM 444 NE ARG A 29 9.986 15.752 -23.429 1.00 23.04 N ATOM 445 CZ ARG A 29 8.743 15.570 -22.998 1.00 52.44 C ATOM 446 NH1 ARG A 29 8.370 14.393 -22.516 1.00 11.00 N1+ ATOM 447 NH2 ARG A 29 7.869 16.568 -23.050 1.00 23.12 N ATOM 0 H ARG A 29 14.643 14.492 -24.436 1.00 1.23 H new ATOM 0 HA ARG A 29 14.100 16.562 -26.357 1.00 13.13 H new ATOM 0 HB2 ARG A 29 11.893 16.596 -25.212 1.00 1.33 H new ATOM 0 HB3 ARG A 29 12.365 14.989 -25.727 1.00 1.33 H new ATOM 0 HG2 ARG A 29 13.147 14.507 -23.392 1.00 75.01 H new ATOM 0 HG3 ARG A 29 12.574 16.089 -22.899 1.00 75.01 H new ATOM 0 HD2 ARG A 29 10.799 13.980 -24.190 1.00 11.53 H new ATOM 0 HD3 ARG A 29 10.966 14.178 -22.457 1.00 11.53 H new ATOM 0 HE ARG A 29 10.240 16.670 -23.794 1.00 23.04 H new ATOM 0 HH11 ARG A 29 9.038 13.624 -22.475 1.00 11.00 H new ATOM 0 HH12 ARG A 29 7.415 14.257 -22.186 1.00 11.00 H new ATOM 0 HH21 ARG A 29 8.152 17.475 -23.421 1.00 23.12 H new ATOM 0 HH22 ARG A 29 6.914 16.428 -22.719 1.00 23.12 H new ATOM 461 N PHE A 30 14.637 17.327 -23.198 1.00 24.24 N ATOM 462 CA PHE A 30 14.931 18.430 -22.290 1.00 62.03 C ATOM 463 C PHE A 30 16.320 19.002 -22.561 1.00 73.11 C ATOM 464 O PHE A 30 16.652 20.098 -22.108 1.00 64.31 O ATOM 465 CB PHE A 30 14.835 17.962 -20.837 1.00 14.24 C ATOM 466 CG PHE A 30 13.475 17.446 -20.462 1.00 53.11 C ATOM 467 CD1 PHE A 30 12.338 17.930 -21.089 1.00 43.55 C ATOM 468 CD2 PHE A 30 13.333 16.477 -19.482 1.00 72.11 C ATOM 469 CE1 PHE A 30 11.085 17.457 -20.747 1.00 44.45 C ATOM 470 CE2 PHE A 30 12.083 16.000 -19.136 1.00 73.33 C ATOM 471 CZ PHE A 30 10.958 16.491 -19.769 1.00 15.42 C ATOM 0 H PHE A 30 14.714 16.402 -22.776 1.00 24.24 H new ATOM 0 HA PHE A 30 14.194 19.215 -22.461 1.00 62.03 H new ATOM 0 HB2 PHE A 30 15.572 17.177 -20.667 1.00 14.24 H new ATOM 0 HB3 PHE A 30 15.094 18.791 -20.179 1.00 14.24 H new ATOM 0 HD1 PHE A 30 12.432 18.686 -21.854 1.00 43.55 H new ATOM 0 HD2 PHE A 30 14.209 16.090 -18.983 1.00 72.11 H new ATOM 0 HE1 PHE A 30 10.207 17.842 -21.244 1.00 44.45 H new ATOM 0 HE2 PHE A 30 11.986 15.244 -18.371 1.00 73.33 H new ATOM 0 HZ PHE A 30 9.980 16.120 -19.499 1.00 15.42 H new ATOM 481 N THR A 31 17.128 18.251 -23.303 1.00 50.44 N ATOM 482 CA THR A 31 18.481 18.681 -23.634 1.00 12.13 C ATOM 483 C THR A 31 18.467 19.995 -24.407 1.00 60.41 C ATOM 484 O THR A 31 19.134 20.957 -24.027 1.00 62.31 O ATOM 485 CB THR A 31 19.221 17.617 -24.465 1.00 61.52 C ATOM 486 OG1 THR A 31 19.105 16.336 -23.836 1.00 22.51 O ATOM 487 CG2 THR A 31 20.690 17.979 -24.623 1.00 62.42 C ATOM 0 H THR A 31 16.869 17.342 -23.686 1.00 50.44 H new ATOM 0 HA THR A 31 19.007 18.824 -22.690 1.00 12.13 H new ATOM 0 HB THR A 31 18.764 17.578 -25.454 1.00 61.52 H new ATOM 0 HG1 THR A 31 18.272 16.299 -23.321 1.00 22.51 H new ATOM 0 HG21 THR A 31 21.192 17.213 -25.214 1.00 62.42 H new ATOM 0 HG22 THR A 31 20.775 18.941 -25.129 1.00 62.42 H new ATOM 0 HG23 THR A 31 21.157 18.043 -23.640 1.00 62.42 H new ATOM 495 N SER A 32 17.702 20.028 -25.494 1.00 4.11 N ATOM 496 CA SER A 32 17.603 21.224 -26.322 1.00 44.12 C ATOM 497 C SER A 32 16.214 21.845 -26.215 1.00 41.52 C ATOM 498 O SER A 32 16.050 23.057 -26.364 1.00 53.15 O ATOM 499 CB SER A 32 17.912 20.886 -27.782 1.00 2.20 C ATOM 500 OG SER A 32 18.834 21.809 -28.335 1.00 5.10 O ATOM 0 H SER A 32 17.142 19.241 -25.821 1.00 4.11 H new ATOM 0 HA SER A 32 18.334 21.947 -25.961 1.00 44.12 H new ATOM 0 HB2 SER A 32 18.320 19.877 -27.847 1.00 2.20 H new ATOM 0 HB3 SER A 32 16.990 20.895 -28.364 1.00 2.20 H new ATOM 0 HG SER A 32 19.016 21.570 -29.268 1.00 5.10 H new ATOM 506 N LEU A 33 15.217 21.007 -25.956 1.00 14.43 N ATOM 507 CA LEU A 33 13.840 21.473 -25.828 1.00 31.31 C ATOM 508 C LEU A 33 13.352 22.095 -27.132 1.00 61.34 C ATOM 509 O LEU A 33 12.341 22.794 -27.158 1.00 54.42 O ATOM 510 CB LEU A 33 13.728 22.490 -24.691 1.00 41.23 C ATOM 511 CG LEU A 33 14.683 22.289 -23.514 1.00 43.42 C ATOM 512 CD1 LEU A 33 15.771 23.352 -23.522 1.00 41.23 C ATOM 513 CD2 LEU A 33 13.920 22.315 -22.198 1.00 23.41 C ATOM 0 H LEU A 33 15.336 20.002 -25.830 1.00 14.43 H new ATOM 0 HA LEU A 33 13.211 20.612 -25.600 1.00 31.31 H new ATOM 0 HB2 LEU A 33 13.895 23.485 -25.103 1.00 41.23 H new ATOM 0 HB3 LEU A 33 12.706 22.470 -24.312 1.00 41.23 H new ATOM 0 HG LEU A 33 15.156 21.313 -23.618 1.00 43.42 H new ATOM 0 HD11 LEU A 33 16.441 23.193 -22.677 1.00 41.23 H new ATOM 0 HD12 LEU A 33 16.337 23.287 -24.451 1.00 41.23 H new ATOM 0 HD13 LEU A 33 15.316 24.339 -23.443 1.00 41.23 H new ATOM 0 HD21 LEU A 33 14.615 22.170 -21.371 1.00 23.41 H new ATOM 0 HD22 LEU A 33 13.419 23.277 -22.087 1.00 23.41 H new ATOM 0 HD23 LEU A 33 13.178 21.517 -22.192 1.00 23.41 H new ATOM 525 N GLY A 34 14.078 21.832 -28.215 1.00 50.42 N ATOM 526 CA GLY A 34 13.702 22.372 -29.509 1.00 33.51 C ATOM 527 C GLY A 34 14.843 22.336 -30.506 1.00 10.01 C ATOM 528 O GLY A 34 15.002 23.254 -31.310 1.00 51.04 O ATOM 0 H GLY A 34 14.919 21.255 -28.219 1.00 50.42 H new ATOM 0 HA2 GLY A 34 12.860 21.805 -29.905 1.00 33.51 H new ATOM 0 HA3 GLY A 34 13.364 23.401 -29.386 1.00 33.51 H new HETATM 532 N NH2 A 35 15.617 21.381 -30.512 1.00 0.00 N TER 535 NH2 A 35