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= -0.179 X(o=-0.18,f=-0.018) 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 :FLIP amide:sc= -0.297 F(o=-2.3,f=-0.3) USER MOD Single : A 22 SER OG : rot -120:sc= -1.01 USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.0743 F(o=-0.82,f=-0.074) USER MOD Single : A 31 THR OG1 : rot 58:sc= 0.482 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.377 -1.467 0.710 1.00 73.30 N ATOM 2 CA GLY A 1 2.127 -1.296 -0.521 1.00 14.44 C ATOM 3 C GLY A 1 3.002 -2.492 -0.838 1.00 3.34 C ATOM 4 O GLY A 1 4.020 -2.716 -0.182 1.00 14.05 O ATOM 0 H1 GLY A 1 0.795 -0.623 0.882 1.00 73.30 H new ATOM 0 H2 GLY A 1 0.761 -2.301 0.628 1.00 73.30 H new ATOM 0 H3 GLY A 1 2.037 -1.600 1.503 1.00 73.30 H new ATOM 0 HA2 GLY A 1 1.433 -1.129 -1.345 1.00 14.44 H new ATOM 0 HA3 GLY A 1 2.750 -0.405 -0.443 1.00 14.44 H new ATOM 10 N ASP A 2 2.606 -3.262 -1.844 1.00 63.35 N ATOM 11 CA ASP A 2 3.363 -4.442 -2.248 1.00 34.24 C ATOM 12 C ASP A 2 3.413 -4.562 -3.768 1.00 31.45 C ATOM 13 O ASP A 2 4.466 -4.383 -4.379 1.00 14.13 O ATOM 14 CB ASP A 2 2.742 -5.703 -1.644 1.00 74.02 C ATOM 15 CG ASP A 2 1.240 -5.583 -1.470 1.00 43.25 C ATOM 16 OD1 ASP A 2 0.803 -5.101 -0.405 1.00 13.44 O ATOM 17 OD2 ASP A 2 0.503 -5.970 -2.401 1.00 30.03 O1- ATOM 0 H ASP A 2 1.765 -3.091 -2.396 1.00 63.35 H new ATOM 0 HA ASP A 2 4.382 -4.334 -1.877 1.00 34.24 H new ATOM 0 HB2 ASP A 2 2.963 -6.556 -2.285 1.00 74.02 H new ATOM 0 HB3 ASP A 2 3.202 -5.903 -0.676 1.00 74.02 H new ATOM 22 N GLU A 3 2.268 -4.868 -4.370 1.00 61.12 N ATOM 23 CA GLU A 3 2.183 -5.014 -5.819 1.00 24.34 C ATOM 24 C GLU A 3 2.186 -3.651 -6.504 1.00 62.02 C ATOM 25 O GLU A 3 2.550 -3.534 -7.674 1.00 42.34 O ATOM 26 CB GLU A 3 0.920 -5.788 -6.202 1.00 42.23 C ATOM 27 CG GLU A 3 0.903 -7.218 -5.689 1.00 52.12 C ATOM 28 CD GLU A 3 -0.251 -8.026 -6.252 1.00 2.53 C ATOM 29 OE1 GLU A 3 -1.065 -8.533 -5.452 1.00 4.03 O ATOM 30 OE2 GLU A 3 -0.340 -8.150 -7.491 1.00 22.41 O1- ATOM 0 H GLU A 3 1.388 -5.019 -3.878 1.00 61.12 H new ATOM 0 HA GLU A 3 3.057 -5.571 -6.155 1.00 24.34 H new ATOM 0 HB2 GLU A 3 0.049 -5.261 -5.813 1.00 42.23 H new ATOM 0 HB3 GLU A 3 0.826 -5.799 -7.288 1.00 42.23 H new ATOM 0 HG2 GLU A 3 1.843 -7.704 -5.949 1.00 52.12 H new ATOM 0 HG3 GLU A 3 0.839 -7.209 -4.601 1.00 52.12 H new ATOM 37 N ARG A 4 1.777 -2.624 -5.767 1.00 2.31 N ATOM 38 CA ARG A 4 1.732 -1.269 -6.303 1.00 52.30 C ATOM 39 C ARG A 4 2.902 -0.439 -5.783 1.00 50.22 C ATOM 40 O ARG A 4 3.025 0.745 -6.097 1.00 14.42 O ATOM 41 CB ARG A 4 0.410 -0.594 -5.932 1.00 32.54 C ATOM 42 CG ARG A 4 -0.786 -1.133 -6.700 1.00 63.23 C ATOM 43 CD ARG A 4 -1.675 -1.993 -5.816 1.00 31.20 C ATOM 44 NE ARG A 4 -2.326 -3.062 -6.569 1.00 13.31 N ATOM 45 CZ ARG A 4 -3.403 -3.711 -6.141 1.00 30.40 C ATOM 46 NH1 ARG A 4 -3.947 -3.402 -4.972 1.00 22.51 N1+ ATOM 47 NH2 ARG A 4 -3.938 -4.672 -6.883 1.00 74.14 N ATOM 0 H ARG A 4 1.472 -2.704 -4.797 1.00 2.31 H new ATOM 0 HA ARG A 4 1.808 -1.333 -7.389 1.00 52.30 H new ATOM 0 HB2 ARG A 4 0.233 -0.723 -4.864 1.00 32.54 H new ATOM 0 HB3 ARG A 4 0.495 0.477 -6.114 1.00 32.54 H new ATOM 0 HG2 ARG A 4 -1.366 -0.302 -7.102 1.00 63.23 H new ATOM 0 HG3 ARG A 4 -0.439 -1.721 -7.550 1.00 63.23 H new ATOM 0 HD2 ARG A 4 -1.078 -2.426 -5.014 1.00 31.20 H new ATOM 0 HD3 ARG A 4 -2.433 -1.367 -5.346 1.00 31.20 H new ATOM 0 HE ARG A 4 -1.932 -3.324 -7.473 1.00 13.31 H new ATOM 0 HH11 ARG A 4 -3.538 -2.664 -4.399 1.00 22.51 H new ATOM 0 HH12 ARG A 4 -4.774 -3.902 -4.646 1.00 22.51 H new ATOM 0 HH21 ARG A 4 -3.522 -4.913 -7.783 1.00 74.14 H new ATOM 0 HH22 ARG A 4 -4.765 -5.170 -6.554 1.00 74.14 H new ATOM 61 N PHE A 5 3.759 -1.068 -4.986 1.00 63.35 N ATOM 62 CA PHE A 5 4.919 -0.388 -4.422 1.00 63.32 C ATOM 63 C PHE A 5 6.215 -1.055 -4.876 1.00 53.24 C ATOM 64 O PHE A 5 7.266 -0.417 -4.937 1.00 11.41 O ATOM 65 CB PHE A 5 4.842 -0.386 -2.894 1.00 43.01 C ATOM 66 CG PHE A 5 4.081 0.782 -2.334 1.00 22.50 C ATOM 67 CD1 PHE A 5 2.788 1.048 -2.753 1.00 72.32 C ATOM 68 CD2 PHE A 5 4.660 1.613 -1.389 1.00 14.24 C ATOM 69 CE1 PHE A 5 2.084 2.121 -2.240 1.00 4.15 C ATOM 70 CE2 PHE A 5 3.961 2.688 -0.871 1.00 61.41 C ATOM 71 CZ PHE A 5 2.672 2.943 -1.298 1.00 25.40 C ATOM 0 H PHE A 5 3.672 -2.048 -4.716 1.00 63.35 H new ATOM 0 HA PHE A 5 4.916 0.641 -4.781 1.00 63.32 H new ATOM 0 HB2 PHE A 5 4.370 -1.310 -2.561 1.00 43.01 H new ATOM 0 HB3 PHE A 5 5.853 -0.379 -2.487 1.00 43.01 H new ATOM 0 HD1 PHE A 5 2.324 0.409 -3.490 1.00 72.32 H new ATOM 0 HD2 PHE A 5 5.668 1.419 -1.053 1.00 14.24 H new ATOM 0 HE1 PHE A 5 1.076 2.317 -2.575 1.00 4.15 H new ATOM 0 HE2 PHE A 5 4.422 3.328 -0.133 1.00 61.41 H new ATOM 0 HZ PHE A 5 2.125 3.783 -0.896 1.00 25.40 H new ATOM 81 N TYR A 6 6.131 -2.342 -5.194 1.00 13.22 N ATOM 82 CA TYR A 6 7.296 -3.097 -5.639 1.00 0.12 C ATOM 83 C TYR A 6 7.336 -3.190 -7.161 1.00 61.00 C ATOM 84 O TYR A 6 8.377 -3.482 -7.749 1.00 1.30 O ATOM 85 CB TYR A 6 7.283 -4.500 -5.031 1.00 31.50 C ATOM 86 CG TYR A 6 7.231 -4.506 -3.520 1.00 2.51 C ATOM 87 CD1 TYR A 6 7.763 -3.454 -2.784 1.00 14.33 C ATOM 88 CD2 TYR A 6 6.652 -5.562 -2.828 1.00 61.23 C ATOM 89 CE1 TYR A 6 7.718 -3.454 -1.403 1.00 24.11 C ATOM 90 CE2 TYR A 6 6.602 -5.570 -1.448 1.00 20.42 C ATOM 91 CZ TYR A 6 7.137 -4.514 -0.740 1.00 34.44 C ATOM 92 OH TYR A 6 7.090 -4.519 0.636 1.00 60.53 O ATOM 0 H TYR A 6 5.268 -2.884 -5.152 1.00 13.22 H new ATOM 0 HA TYR A 6 8.189 -2.571 -5.302 1.00 0.12 H new ATOM 0 HB2 TYR A 6 6.423 -5.046 -5.418 1.00 31.50 H new ATOM 0 HB3 TYR A 6 8.174 -5.036 -5.357 1.00 31.50 H new ATOM 0 HD1 TYR A 6 8.219 -2.622 -3.300 1.00 14.33 H new ATOM 0 HD2 TYR A 6 6.234 -6.391 -3.379 1.00 61.23 H new ATOM 0 HE1 TYR A 6 8.136 -2.628 -0.846 1.00 24.11 H new ATOM 0 HE2 TYR A 6 6.147 -6.398 -0.926 1.00 20.42 H new ATOM 0 HH TYR A 6 6.647 -5.337 0.945 1.00 60.53 H new ATOM 102 N ALA A 7 6.194 -2.939 -7.793 1.00 22.11 N ATOM 103 CA ALA A 7 6.098 -2.992 -9.246 1.00 73.03 C ATOM 104 C ALA A 7 5.720 -1.631 -9.821 1.00 71.13 C ATOM 105 O ALA A 7 6.002 -1.339 -10.983 1.00 14.31 O ATOM 106 CB ALA A 7 5.085 -4.046 -9.670 1.00 42.31 C ATOM 0 H ALA A 7 5.323 -2.697 -7.321 1.00 22.11 H new ATOM 0 HA ALA A 7 7.077 -3.265 -9.640 1.00 73.03 H new ATOM 0 HB1 ALA A 7 5.023 -4.075 -10.758 1.00 42.31 H new ATOM 0 HB2 ALA A 7 5.398 -5.022 -9.298 1.00 42.31 H new ATOM 0 HB3 ALA A 7 4.107 -3.797 -9.258 1.00 42.31 H new ATOM 112 N GLU A 8 5.080 -0.804 -9.001 1.00 2.15 N ATOM 113 CA GLU A 8 4.662 0.525 -9.430 1.00 52.32 C ATOM 114 C GLU A 8 5.593 1.596 -8.870 1.00 43.40 C ATOM 115 O GLU A 8 5.523 2.762 -9.261 1.00 3.11 O ATOM 116 CB GLU A 8 3.224 0.800 -8.985 1.00 1.53 C ATOM 117 CG GLU A 8 2.224 0.812 -10.129 1.00 2.33 C ATOM 118 CD GLU A 8 0.832 0.400 -9.691 1.00 62.21 C ATOM 119 OE1 GLU A 8 0.250 1.096 -8.833 1.00 24.35 O ATOM 120 OE2 GLU A 8 0.325 -0.618 -10.206 1.00 72.15 O1- ATOM 0 H GLU A 8 4.840 -1.031 -8.036 1.00 2.15 H new ATOM 0 HA GLU A 8 4.711 0.559 -10.518 1.00 52.32 H new ATOM 0 HB2 GLU A 8 2.926 0.042 -8.261 1.00 1.53 H new ATOM 0 HB3 GLU A 8 3.189 1.762 -8.473 1.00 1.53 H new ATOM 0 HG2 GLU A 8 2.184 1.812 -10.561 1.00 2.33 H new ATOM 0 HG3 GLU A 8 2.568 0.139 -10.914 1.00 2.33 H new ATOM 127 N HIS A 9 6.465 1.193 -7.951 1.00 61.33 N ATOM 128 CA HIS A 9 7.411 2.117 -7.336 1.00 52.22 C ATOM 129 C HIS A 9 8.836 1.582 -7.434 1.00 60.32 C ATOM 130 O HIS A 9 9.742 2.070 -6.758 1.00 0.52 O ATOM 131 CB HIS A 9 7.043 2.357 -5.872 1.00 21.44 C ATOM 132 CG HIS A 9 7.089 3.799 -5.470 1.00 61.15 C ATOM 133 ND1 HIS A 9 7.668 4.236 -4.298 1.00 25.11 N ATOM 134 CD2 HIS A 9 6.625 4.907 -6.095 1.00 20.33 C ATOM 135 CE1 HIS A 9 7.557 5.550 -4.217 1.00 61.24 C ATOM 136 NE2 HIS A 9 6.928 5.982 -5.296 1.00 21.54 N ATOM 0 H HIS A 9 6.536 0.232 -7.616 1.00 61.33 H new ATOM 0 HA HIS A 9 7.360 3.063 -7.875 1.00 52.22 H new ATOM 0 HB2 HIS A 9 6.041 1.970 -5.690 1.00 21.44 H new ATOM 0 HB3 HIS A 9 7.724 1.790 -5.237 1.00 21.44 H new ATOM 0 HD2 HIS A 9 6.112 4.939 -7.045 1.00 20.33 H new ATOM 0 HE1 HIS A 9 7.919 6.166 -3.407 1.00 61.24 H new ATOM 0 HE2 HIS A 9 6.704 6.956 -5.502 1.00 21.54 H new ATOM 144 N LEU A 10 9.028 0.575 -8.279 1.00 74.23 N ATOM 145 CA LEU A 10 10.343 -0.029 -8.465 1.00 53.40 C ATOM 146 C LEU A 10 10.685 -0.144 -9.947 1.00 53.51 C ATOM 147 O LEU A 10 11.806 0.151 -10.360 1.00 11.10 O ATOM 148 CB LEU A 10 10.389 -1.410 -7.811 1.00 33.44 C ATOM 149 CG LEU A 10 11.688 -1.768 -7.088 1.00 12.13 C ATOM 150 CD1 LEU A 10 11.408 -2.690 -5.911 1.00 73.35 C ATOM 151 CD2 LEU A 10 12.674 -2.413 -8.051 1.00 10.24 C ATOM 0 H LEU A 10 8.289 0.159 -8.847 1.00 74.23 H new ATOM 0 HA LEU A 10 11.082 0.616 -7.990 1.00 53.40 H new ATOM 0 HB2 LEU A 10 9.568 -1.479 -7.097 1.00 33.44 H new ATOM 0 HB3 LEU A 10 10.206 -2.160 -8.580 1.00 33.44 H new ATOM 0 HG LEU A 10 12.133 -0.850 -6.705 1.00 12.13 H new ATOM 0 HD11 LEU A 10 12.344 -2.934 -5.409 1.00 73.35 H new ATOM 0 HD12 LEU A 10 10.739 -2.192 -5.209 1.00 73.35 H new ATOM 0 HD13 LEU A 10 10.940 -3.606 -6.270 1.00 73.35 H new ATOM 0 HD21 LEU A 10 13.593 -2.661 -7.519 1.00 10.24 H new ATOM 0 HD22 LEU A 10 12.237 -3.322 -8.464 1.00 10.24 H new ATOM 0 HD23 LEU A 10 12.900 -1.718 -8.860 1.00 10.24 H new ATOM 163 N MET A 11 9.710 -0.572 -10.742 1.00 51.25 N ATOM 164 CA MET A 11 9.907 -0.723 -12.179 1.00 45.24 C ATOM 165 C MET A 11 10.066 0.637 -12.852 1.00 62.02 C ATOM 166 O MET A 11 11.090 0.936 -13.467 1.00 51.23 O ATOM 167 CB MET A 11 8.731 -1.478 -12.801 1.00 21.10 C ATOM 168 CG MET A 11 9.130 -2.789 -13.460 1.00 3.43 C ATOM 169 SD MET A 11 9.428 -4.105 -12.264 1.00 13.21 S ATOM 170 CE MET A 11 10.488 -5.192 -13.214 1.00 1.13 C ATOM 0 H MET A 11 8.776 -0.820 -10.416 1.00 51.25 H new ATOM 0 HA MET A 11 10.821 -1.296 -12.336 1.00 45.24 H new ATOM 0 HB2 MET A 11 7.990 -1.680 -12.028 1.00 21.10 H new ATOM 0 HB3 MET A 11 8.251 -0.839 -13.543 1.00 21.10 H new ATOM 0 HG2 MET A 11 8.343 -3.100 -14.148 1.00 3.43 H new ATOM 0 HG3 MET A 11 10.030 -2.633 -14.055 1.00 3.43 H new ATOM 0 HE1 MET A 11 10.759 -6.057 -12.608 1.00 1.13 H new ATOM 0 HE2 MET A 11 9.960 -5.526 -14.107 1.00 1.13 H new ATOM 0 HE3 MET A 11 11.391 -4.656 -13.506 1.00 1.13 H new ATOM 180 N PRO A 12 9.030 1.481 -12.735 1.00 5.14 N ATOM 181 CA PRO A 12 9.032 2.823 -13.325 1.00 32.21 C ATOM 182 C PRO A 12 10.005 3.764 -12.623 1.00 71.01 C ATOM 183 O PRO A 12 10.239 4.884 -13.078 1.00 1.44 O ATOM 184 CB PRO A 12 7.591 3.299 -13.127 1.00 34.11 C ATOM 185 CG PRO A 12 7.095 2.529 -11.952 1.00 23.23 C ATOM 186 CD PRO A 12 7.779 1.191 -12.016 1.00 35.22 C ATOM 0 HA PRO A 12 9.352 2.810 -14.367 1.00 32.21 H new ATOM 0 HB2 PRO A 12 7.551 4.372 -12.942 1.00 34.11 H new ATOM 0 HB3 PRO A 12 6.985 3.105 -14.012 1.00 34.11 H new ATOM 0 HG2 PRO A 12 7.330 3.044 -11.020 1.00 23.23 H new ATOM 0 HG3 PRO A 12 6.012 2.416 -11.989 1.00 23.23 H new ATOM 0 HD2 PRO A 12 7.971 0.790 -11.021 1.00 35.22 H new ATOM 0 HD3 PRO A 12 7.173 0.455 -12.545 1.00 35.22 H new ATOM 194 N THR A 13 10.571 3.302 -11.512 1.00 54.21 N ATOM 195 CA THR A 13 11.518 4.103 -10.747 1.00 64.34 C ATOM 196 C THR A 13 12.955 3.700 -11.059 1.00 3.02 C ATOM 197 O THR A 13 13.795 4.547 -11.367 1.00 62.44 O ATOM 198 CB THR A 13 11.276 3.966 -9.232 1.00 73.35 C ATOM 199 OG1 THR A 13 10.033 4.582 -8.878 1.00 34.52 O ATOM 200 CG2 THR A 13 12.408 4.605 -8.443 1.00 12.30 C ATOM 0 H THR A 13 10.390 2.377 -11.122 1.00 54.21 H new ATOM 0 HA THR A 13 11.362 5.141 -11.039 1.00 64.34 H new ATOM 0 HB THR A 13 11.238 2.905 -8.986 1.00 73.35 H new ATOM 0 HG1 THR A 13 9.885 4.489 -7.914 1.00 34.52 H new ATOM 0 HG21 THR A 13 12.215 4.496 -7.376 1.00 12.30 H new ATOM 0 HG22 THR A 13 13.348 4.114 -8.694 1.00 12.30 H new ATOM 0 HG23 THR A 13 12.473 5.664 -8.693 1.00 12.30 H new ATOM 208 N LEU A 14 13.232 2.403 -10.977 1.00 2.41 N ATOM 209 CA LEU A 14 14.569 1.888 -11.252 1.00 73.44 C ATOM 210 C LEU A 14 14.791 1.723 -12.752 1.00 55.35 C ATOM 211 O LEU A 14 15.925 1.758 -13.229 1.00 13.33 O ATOM 212 CB LEU A 14 14.775 0.547 -10.545 1.00 3.22 C ATOM 213 CG LEU A 14 16.139 0.340 -9.884 1.00 14.21 C ATOM 214 CD1 LEU A 14 17.254 0.460 -10.911 1.00 55.52 C ATOM 215 CD2 LEU A 14 16.341 1.340 -8.755 1.00 21.13 C ATOM 0 H LEU A 14 12.549 1.689 -10.723 1.00 2.41 H new ATOM 0 HA LEU A 14 15.294 2.608 -10.873 1.00 73.44 H new ATOM 0 HB2 LEU A 14 14.004 0.439 -9.782 1.00 3.22 H new ATOM 0 HB3 LEU A 14 14.620 -0.251 -11.271 1.00 3.22 H new ATOM 0 HG LEU A 14 16.169 -0.665 -9.463 1.00 14.21 H new ATOM 0 HD11 LEU A 14 18.217 0.310 -10.422 1.00 55.52 H new ATOM 0 HD12 LEU A 14 17.118 -0.295 -11.685 1.00 55.52 H new ATOM 0 HD13 LEU A 14 17.227 1.452 -11.363 1.00 55.52 H new ATOM 0 HD21 LEU A 14 17.316 1.178 -8.296 1.00 21.13 H new ATOM 0 HD22 LEU A 14 16.291 2.353 -9.153 1.00 21.13 H new ATOM 0 HD23 LEU A 14 15.561 1.206 -8.006 1.00 21.13 H new ATOM 227 N GLN A 15 13.700 1.546 -13.491 1.00 13.02 N ATOM 228 CA GLN A 15 13.776 1.378 -14.937 1.00 52.33 C ATOM 229 C GLN A 15 12.791 2.303 -15.645 1.00 72.10 C ATOM 230 O GLN A 15 12.163 1.920 -16.631 1.00 62.24 O ATOM 231 CB GLN A 15 13.493 -0.076 -15.319 1.00 1.31 C ATOM 232 CG GLN A 15 14.539 -1.053 -14.807 1.00 35.42 C ATOM 233 CD GLN A 15 13.980 -2.022 -13.783 1.00 1.54 C ATOM 234 OE1 GLN A 15 13.219 -1.500 -12.828 1.00 61.44 O flip ATOM 235 NE2 GLN A 15 14.230 -3.225 -13.848 1.00 11.32 N flip ATOM 0 H GLN A 15 12.754 1.515 -13.112 1.00 13.02 H new ATOM 0 HA GLN A 15 14.785 1.640 -15.255 1.00 52.33 H new ATOM 0 HB2 GLN A 15 12.517 -0.363 -14.927 1.00 1.31 H new ATOM 0 HB3 GLN A 15 13.436 -0.153 -16.405 1.00 1.31 H new ATOM 0 HG2 GLN A 15 14.949 -1.614 -15.647 1.00 35.42 H new ATOM 0 HG3 GLN A 15 15.364 -0.496 -14.363 1.00 35.42 H new ATOM 0 HE21 GLN A 15 14.820 -3.583 -14.599 1.00 11.32 H new ATOM 0 HE22 GLN A 15 13.848 -3.864 -13.151 1.00 11.32 H new ATOM 244 N GLY A 16 12.660 3.523 -15.134 1.00 1.42 N ATOM 245 CA GLY A 16 11.748 4.483 -15.728 1.00 70.14 C ATOM 246 C GLY A 16 12.155 5.917 -15.454 1.00 30.04 C ATOM 247 O GLY A 16 11.984 6.792 -16.303 1.00 43.42 O ATOM 0 H GLY A 16 13.169 3.864 -14.319 1.00 1.42 H new ATOM 0 HA2 GLY A 16 11.705 4.320 -16.805 1.00 70.14 H new ATOM 0 HA3 GLY A 16 10.744 4.313 -15.340 1.00 70.14 H new ATOM 251 N LEU A 17 12.693 6.160 -14.264 1.00 21.24 N ATOM 252 CA LEU A 17 13.124 7.499 -13.878 1.00 24.12 C ATOM 253 C LEU A 17 14.477 7.835 -14.498 1.00 12.20 C ATOM 254 O LEU A 17 14.954 8.966 -14.397 1.00 51.44 O ATOM 255 CB LEU A 17 13.207 7.610 -12.354 1.00 43.24 C ATOM 256 CG LEU A 17 12.231 8.588 -11.699 1.00 22.43 C ATOM 257 CD1 LEU A 17 12.485 10.005 -12.188 1.00 64.12 C ATOM 258 CD2 LEU A 17 10.794 8.174 -11.979 1.00 13.40 C ATOM 0 H LEU A 17 12.841 5.447 -13.550 1.00 21.24 H new ATOM 0 HA LEU A 17 12.388 8.212 -14.249 1.00 24.12 H new ATOM 0 HB2 LEU A 17 13.040 6.621 -11.928 1.00 43.24 H new ATOM 0 HB3 LEU A 17 14.221 7.905 -12.086 1.00 43.24 H new ATOM 0 HG LEU A 17 12.392 8.565 -10.621 1.00 22.43 H new ATOM 0 HD11 LEU A 17 11.781 10.686 -11.711 1.00 64.12 H new ATOM 0 HD12 LEU A 17 13.503 10.300 -11.935 1.00 64.12 H new ATOM 0 HD13 LEU A 17 12.353 10.046 -13.269 1.00 64.12 H new ATOM 0 HD21 LEU A 17 10.113 8.881 -11.505 1.00 13.40 H new ATOM 0 HD22 LEU A 17 10.620 8.168 -13.055 1.00 13.40 H new ATOM 0 HD23 LEU A 17 10.618 7.176 -11.577 1.00 13.40 H new ATOM 270 N LEU A 18 15.089 6.847 -15.141 1.00 10.10 N ATOM 271 CA LEU A 18 16.386 7.038 -15.780 1.00 42.33 C ATOM 272 C LEU A 18 16.623 5.984 -16.857 1.00 42.42 C ATOM 273 O LEU A 18 17.762 5.601 -17.125 1.00 1.12 O ATOM 274 CB LEU A 18 17.504 6.979 -14.738 1.00 2.10 C ATOM 275 CG LEU A 18 17.223 6.127 -13.500 1.00 22.01 C ATOM 276 CD1 LEU A 18 17.033 4.669 -13.888 1.00 34.25 C ATOM 277 CD2 LEU A 18 18.351 6.269 -12.488 1.00 34.33 C ATOM 0 H LEU A 18 14.708 5.905 -15.234 1.00 10.10 H new ATOM 0 HA LEU A 18 16.389 8.020 -16.252 1.00 42.33 H new ATOM 0 HB2 LEU A 18 18.404 6.597 -15.221 1.00 2.10 H new ATOM 0 HB3 LEU A 18 17.724 7.996 -14.412 1.00 2.10 H new ATOM 0 HG LEU A 18 16.301 6.482 -13.039 1.00 22.01 H new ATOM 0 HD11 LEU A 18 16.834 4.078 -12.994 1.00 34.25 H new ATOM 0 HD12 LEU A 18 16.192 4.582 -14.575 1.00 34.25 H new ATOM 0 HD13 LEU A 18 17.937 4.301 -14.373 1.00 34.25 H new ATOM 0 HD21 LEU A 18 18.134 5.656 -11.613 1.00 34.33 H new ATOM 0 HD22 LEU A 18 19.288 5.940 -12.939 1.00 34.33 H new ATOM 0 HD23 LEU A 18 18.440 7.313 -12.186 1.00 34.33 H new ATOM 289 N ASP A 19 15.541 5.522 -17.473 1.00 32.41 N ATOM 290 CA ASP A 19 15.631 4.515 -18.524 1.00 72.21 C ATOM 291 C ASP A 19 16.045 5.148 -19.849 1.00 33.21 C ATOM 292 O ASP A 19 15.881 6.348 -20.069 1.00 45.12 O ATOM 293 CB ASP A 19 14.292 3.794 -18.685 1.00 74.13 C ATOM 294 CG ASP A 19 14.372 2.330 -18.299 1.00 52.13 C ATOM 295 OD1 ASP A 19 13.574 1.531 -18.833 1.00 64.34 O ATOM 296 OD2 ASP A 19 15.233 1.984 -17.464 1.00 34.41 O1- ATOM 0 H ASP A 19 14.591 5.829 -17.263 1.00 32.41 H new ATOM 0 HA ASP A 19 16.392 3.790 -18.235 1.00 72.21 H new ATOM 0 HB2 ASP A 19 13.540 4.288 -18.070 1.00 74.13 H new ATOM 0 HB3 ASP A 19 13.961 3.876 -19.720 1.00 74.13 H new ATOM 301 N PRO A 20 16.594 4.323 -20.753 1.00 5.42 N ATOM 302 CA PRO A 20 17.044 4.781 -22.071 1.00 73.32 C ATOM 303 C PRO A 20 15.880 5.161 -22.981 1.00 22.45 C ATOM 304 O PRO A 20 16.080 5.533 -24.136 1.00 4.20 O ATOM 305 CB PRO A 20 17.787 3.567 -22.633 1.00 64.53 C ATOM 306 CG PRO A 20 17.187 2.397 -21.933 1.00 75.21 C ATOM 307 CD PRO A 20 16.819 2.881 -20.558 1.00 3.32 C ATOM 0 HA PRO A 20 17.657 5.680 -22.003 1.00 73.32 H new ATOM 0 HB2 PRO A 20 17.660 3.490 -23.713 1.00 64.53 H new ATOM 0 HB3 PRO A 20 18.858 3.636 -22.443 1.00 64.53 H new ATOM 0 HG2 PRO A 20 16.309 2.032 -22.466 1.00 75.21 H new ATOM 0 HG3 PRO A 20 17.895 1.570 -21.879 1.00 75.21 H new ATOM 0 HD2 PRO A 20 15.926 2.382 -20.182 1.00 3.32 H new ATOM 0 HD3 PRO A 20 17.616 2.692 -19.839 1.00 3.32 H new ATOM 315 N GLU A 21 14.665 5.064 -22.451 1.00 32.14 N ATOM 316 CA GLU A 21 13.470 5.399 -23.216 1.00 13.21 C ATOM 317 C GLU A 21 12.696 6.532 -22.548 1.00 11.22 C ATOM 318 O GLU A 21 11.947 7.257 -23.203 1.00 2.33 O ATOM 319 CB GLU A 21 12.570 4.170 -23.363 1.00 41.24 C ATOM 320 CG GLU A 21 12.320 3.769 -24.807 1.00 53.04 C ATOM 321 CD GLU A 21 11.249 2.703 -24.939 1.00 43.25 C ATOM 322 OE1 GLU A 21 10.163 2.878 -24.348 1.00 61.30 O ATOM 323 OE2 GLU A 21 11.497 1.695 -25.633 1.00 42.25 O1- ATOM 0 H GLU A 21 14.482 4.756 -21.496 1.00 32.14 H new ATOM 0 HA GLU A 21 13.785 5.731 -24.205 1.00 13.21 H new ATOM 0 HB2 GLU A 21 13.025 3.332 -22.835 1.00 41.24 H new ATOM 0 HB3 GLU A 21 11.614 4.370 -22.879 1.00 41.24 H new ATOM 0 HG2 GLU A 21 12.024 4.649 -25.379 1.00 53.04 H new ATOM 0 HG3 GLU A 21 13.249 3.402 -25.244 1.00 53.04 H new ATOM 330 N SER A 22 12.882 6.677 -21.240 1.00 3.32 N ATOM 331 CA SER A 22 12.199 7.718 -20.481 1.00 52.32 C ATOM 332 C SER A 22 13.132 8.895 -20.210 1.00 60.52 C ATOM 333 O SER A 22 12.743 10.054 -20.348 1.00 63.10 O ATOM 334 CB SER A 22 11.674 7.154 -19.160 1.00 13.45 C ATOM 335 OG SER A 22 12.180 5.852 -18.924 1.00 31.11 O ATOM 0 H SER A 22 13.500 6.086 -20.684 1.00 3.32 H new ATOM 0 HA SER A 22 11.358 8.074 -21.076 1.00 52.32 H new ATOM 0 HB2 SER A 22 11.961 7.813 -18.340 1.00 13.45 H new ATOM 0 HB3 SER A 22 10.585 7.126 -19.180 1.00 13.45 H new ATOM 0 HG SER A 22 11.435 5.219 -18.853 1.00 31.11 H new ATOM 341 N ALA A 23 14.366 8.586 -19.824 1.00 14.12 N ATOM 342 CA ALA A 23 15.355 9.616 -19.534 1.00 44.11 C ATOM 343 C ALA A 23 16.026 10.108 -20.812 1.00 54.53 C ATOM 344 O ALA A 23 16.341 11.292 -20.944 1.00 72.40 O ATOM 345 CB ALA A 23 16.397 9.088 -18.559 1.00 64.44 C ATOM 0 H ALA A 23 14.704 7.631 -19.705 1.00 14.12 H new ATOM 0 HA ALA A 23 14.840 10.461 -19.076 1.00 44.11 H new ATOM 0 HB1 ALA A 23 17.129 9.868 -18.351 1.00 64.44 H new ATOM 0 HB2 ALA A 23 15.909 8.792 -17.630 1.00 64.44 H new ATOM 0 HB3 ALA A 23 16.900 8.225 -18.996 1.00 64.44 H new ATOM 351 N HIS A 24 16.242 9.193 -21.752 1.00 54.51 N ATOM 352 CA HIS A 24 16.876 9.535 -23.020 1.00 52.24 C ATOM 353 C HIS A 24 15.905 10.285 -23.928 1.00 65.35 C ATOM 354 O HIS A 24 16.306 11.169 -24.685 1.00 50.41 O ATOM 355 CB HIS A 24 17.376 8.272 -23.721 1.00 71.24 C ATOM 356 CG HIS A 24 17.071 8.239 -25.187 1.00 54.33 C ATOM 357 ND1 HIS A 24 15.963 7.836 -25.852 1.00 23.14 N flip ATOM 358 CD2 HIS A 24 17.964 8.655 -26.152 1.00 73.21 C flip ATOM 359 CE1 HIS A 24 16.204 8.014 -27.192 1.00 52.10 C flip ATOM 360 NE2 HIS A 24 17.419 8.510 -27.346 1.00 43.21 N flip ATOM 0 H HIS A 24 15.987 8.210 -21.659 1.00 54.51 H new ATOM 0 HA HIS A 24 17.725 10.185 -22.810 1.00 52.24 H new ATOM 0 HB2 HIS A 24 18.454 8.191 -23.581 1.00 71.24 H new ATOM 0 HB3 HIS A 24 16.927 7.400 -23.245 1.00 71.24 H new ATOM 0 HD2 HIS A 24 18.955 9.040 -25.961 1.00 73.21 H new ATOM 0 HE1 HIS A 24 15.513 7.786 -27.990 1.00 52.10 H new ATOM 0 HE2 HIS A 24 17.861 8.741 -28.236 1.00 43.21 H new ATOM 368 N ARG A 25 14.629 9.924 -23.848 1.00 52.11 N ATOM 369 CA ARG A 25 13.602 10.561 -24.664 1.00 63.03 C ATOM 370 C ARG A 25 13.331 11.984 -24.184 1.00 63.13 C ATOM 371 O ARG A 25 13.017 12.870 -24.980 1.00 72.22 O ATOM 372 CB ARG A 25 12.310 9.743 -24.625 1.00 52.45 C ATOM 373 CG ARG A 25 11.182 10.348 -25.446 1.00 31.14 C ATOM 374 CD ARG A 25 9.873 10.357 -24.671 1.00 42.52 C ATOM 375 NE ARG A 25 9.665 11.618 -23.965 1.00 14.54 N ATOM 376 CZ ARG A 25 8.474 12.045 -23.558 1.00 30.20 C ATOM 377 NH1 ARG A 25 7.391 11.314 -23.786 1.00 42.53 N1+ ATOM 378 NH2 ARG A 25 8.365 13.204 -22.921 1.00 31.41 N ATOM 0 H ARG A 25 14.281 9.194 -23.227 1.00 52.11 H new ATOM 0 HA ARG A 25 13.965 10.606 -25.691 1.00 63.03 H new ATOM 0 HB2 ARG A 25 12.515 8.737 -24.991 1.00 52.45 H new ATOM 0 HB3 ARG A 25 11.983 9.645 -23.590 1.00 52.45 H new ATOM 0 HG2 ARG A 25 11.444 11.367 -25.732 1.00 31.14 H new ATOM 0 HG3 ARG A 25 11.057 9.781 -26.368 1.00 31.14 H new ATOM 0 HD2 ARG A 25 9.044 10.185 -25.357 1.00 42.52 H new ATOM 0 HD3 ARG A 25 9.870 9.535 -23.955 1.00 42.52 H new ATOM 0 HE ARG A 25 10.478 12.203 -23.774 1.00 14.54 H new ATOM 0 HH11 ARG A 25 7.471 10.422 -24.275 1.00 42.53 H new ATOM 0 HH12 ARG A 25 6.478 11.644 -23.473 1.00 42.53 H new ATOM 0 HH21 ARG A 25 9.196 13.768 -22.743 1.00 31.41 H new ATOM 0 HH22 ARG A 25 7.450 13.531 -22.609 1.00 31.41 H new ATOM 392 N LEU A 26 13.455 12.196 -22.879 1.00 33.33 N ATOM 393 CA LEU A 26 13.224 13.511 -22.292 1.00 12.21 C ATOM 394 C LEU A 26 14.502 14.343 -22.300 1.00 42.21 C ATOM 395 O LEU A 26 14.459 15.566 -22.173 1.00 2.41 O ATOM 396 CB LEU A 26 12.704 13.369 -20.860 1.00 74.44 C ATOM 397 CG LEU A 26 11.381 14.071 -20.554 1.00 14.21 C ATOM 398 CD1 LEU A 26 10.874 13.678 -19.175 1.00 23.01 C ATOM 399 CD2 LEU A 26 11.543 15.581 -20.654 1.00 72.00 C ATOM 0 H LEU A 26 13.714 11.474 -22.207 1.00 33.33 H new ATOM 0 HA LEU A 26 12.474 14.023 -22.895 1.00 12.21 H new ATOM 0 HB2 LEU A 26 12.588 12.308 -20.640 1.00 74.44 H new ATOM 0 HB3 LEU A 26 13.463 13.755 -20.179 1.00 74.44 H new ATOM 0 HG LEU A 26 10.645 13.754 -21.293 1.00 14.21 H new ATOM 0 HD11 LEU A 26 9.931 14.188 -18.975 1.00 23.01 H new ATOM 0 HD12 LEU A 26 10.718 12.600 -19.138 1.00 23.01 H new ATOM 0 HD13 LEU A 26 11.608 13.965 -18.422 1.00 23.01 H new ATOM 0 HD21 LEU A 26 10.591 16.064 -20.433 1.00 72.00 H new ATOM 0 HD22 LEU A 26 12.294 15.915 -19.938 1.00 72.00 H new ATOM 0 HD23 LEU A 26 11.860 15.847 -21.663 1.00 72.00 H new ATOM 411 N ALA A 27 15.638 13.671 -22.453 1.00 5.04 N ATOM 412 CA ALA A 27 16.929 14.348 -22.482 1.00 12.53 C ATOM 413 C ALA A 27 17.326 14.712 -23.908 1.00 60.14 C ATOM 414 O ALA A 27 17.721 15.845 -24.184 1.00 74.12 O ATOM 415 CB ALA A 27 17.998 13.476 -21.840 1.00 55.01 C ATOM 0 H ALA A 27 15.691 12.658 -22.559 1.00 5.04 H new ATOM 0 HA ALA A 27 16.839 15.272 -21.911 1.00 12.53 H new ATOM 0 HB1 ALA A 27 18.956 13.995 -21.869 1.00 55.01 H new ATOM 0 HB2 ALA A 27 17.727 13.272 -20.804 1.00 55.01 H new ATOM 0 HB3 ALA A 27 18.077 12.536 -22.386 1.00 55.01 H new ATOM 421 N VAL A 28 17.220 13.743 -24.812 1.00 50.03 N ATOM 422 CA VAL A 28 17.570 13.961 -26.211 1.00 35.20 C ATOM 423 C VAL A 28 16.889 15.210 -26.759 1.00 70.14 C ATOM 424 O VAL A 28 17.410 15.868 -27.660 1.00 54.03 O ATOM 425 CB VAL A 28 17.179 12.752 -27.082 1.00 15.21 C ATOM 426 CG1 VAL A 28 15.666 12.600 -27.136 1.00 21.52 C ATOM 427 CG2 VAL A 28 17.758 12.894 -28.481 1.00 45.41 C ATOM 0 H VAL A 28 16.895 12.800 -24.601 1.00 50.03 H new ATOM 0 HA VAL A 28 18.651 14.093 -26.250 1.00 35.20 H new ATOM 0 HB VAL A 28 17.595 11.851 -26.631 1.00 15.21 H new ATOM 0 HG11 VAL A 28 15.409 11.741 -27.756 1.00 21.52 H new ATOM 0 HG12 VAL A 28 15.279 12.449 -26.128 1.00 21.52 H new ATOM 0 HG13 VAL A 28 15.225 13.501 -27.563 1.00 21.52 H new ATOM 0 HG21 VAL A 28 17.472 12.031 -29.082 1.00 45.41 H new ATOM 0 HG22 VAL A 28 17.373 13.803 -28.944 1.00 45.41 H new ATOM 0 HG23 VAL A 28 18.845 12.950 -28.421 1.00 45.41 H new ATOM 437 N ARG A 29 15.722 15.531 -26.210 1.00 4.24 N ATOM 438 CA ARG A 29 14.969 16.701 -26.645 1.00 71.12 C ATOM 439 C ARG A 29 15.588 17.982 -26.095 1.00 11.34 C ATOM 440 O ARG A 29 15.689 18.988 -26.798 1.00 73.32 O ATOM 441 CB ARG A 29 13.511 16.592 -26.195 1.00 21.43 C ATOM 442 CG ARG A 29 13.350 16.397 -24.696 1.00 33.11 C ATOM 443 CD ARG A 29 11.888 16.235 -24.309 1.00 51.43 C ATOM 444 NE ARG A 29 11.142 17.483 -24.455 1.00 23.33 N ATOM 445 CZ ARG A 29 9.934 17.681 -23.940 1.00 30.03 C ATOM 446 NH1 ARG A 29 9.338 16.719 -23.249 1.00 22.11 N1+ ATOM 447 NH2 ARG A 29 9.319 18.844 -24.115 1.00 24.20 N ATOM 0 H ARG A 29 15.278 14.997 -25.463 1.00 4.24 H new ATOM 0 HA ARG A 29 15.004 16.740 -27.734 1.00 71.12 H new ATOM 0 HB2 ARG A 29 12.978 17.495 -26.495 1.00 21.43 H new ATOM 0 HB3 ARG A 29 13.041 15.757 -26.714 1.00 21.43 H new ATOM 0 HG2 ARG A 29 13.911 15.517 -24.380 1.00 33.11 H new ATOM 0 HG3 ARG A 29 13.774 17.252 -24.169 1.00 33.11 H new ATOM 0 HD2 ARG A 29 11.432 15.465 -24.931 1.00 51.43 H new ATOM 0 HD3 ARG A 29 11.822 15.892 -23.277 1.00 51.43 H new ATOM 0 HE ARG A 29 11.573 18.243 -24.981 1.00 23.33 H new ATOM 0 HH11 ARG A 29 9.807 15.824 -23.112 1.00 22.11 H new ATOM 0 HH12 ARG A 29 8.410 16.874 -22.855 1.00 22.11 H new ATOM 0 HH21 ARG A 29 9.774 19.587 -24.646 1.00 24.20 H new ATOM 0 HH22 ARG A 29 8.391 18.995 -23.719 1.00 24.20 H new ATOM 461 N PHE A 30 16.001 17.939 -24.832 1.00 74.02 N ATOM 462 CA PHE A 30 16.609 19.097 -24.187 1.00 32.55 C ATOM 463 C PHE A 30 18.056 19.272 -24.636 1.00 43.14 C ATOM 464 O PHE A 30 18.659 20.326 -24.432 1.00 3.23 O ATOM 465 CB PHE A 30 16.550 18.948 -22.665 1.00 23.42 C ATOM 466 CG PHE A 30 15.153 18.818 -22.128 1.00 63.25 C ATOM 467 CD1 PHE A 30 14.087 19.411 -22.785 1.00 61.11 C ATOM 468 CD2 PHE A 30 14.907 18.103 -20.967 1.00 55.23 C ATOM 469 CE1 PHE A 30 12.800 19.293 -22.294 1.00 42.14 C ATOM 470 CE2 PHE A 30 13.622 17.982 -20.472 1.00 71.43 C ATOM 471 CZ PHE A 30 12.568 18.578 -21.136 1.00 13.32 C ATOM 0 H PHE A 30 15.926 17.115 -24.235 1.00 74.02 H new ATOM 0 HA PHE A 30 16.046 19.983 -24.481 1.00 32.55 H new ATOM 0 HB2 PHE A 30 17.126 18.071 -22.371 1.00 23.42 H new ATOM 0 HB3 PHE A 30 17.028 19.812 -22.205 1.00 23.42 H new ATOM 0 HD1 PHE A 30 14.263 19.972 -23.691 1.00 61.11 H new ATOM 0 HD2 PHE A 30 15.728 17.635 -20.443 1.00 55.23 H new ATOM 0 HE1 PHE A 30 11.977 19.759 -22.816 1.00 42.14 H new ATOM 0 HE2 PHE A 30 13.442 17.422 -19.566 1.00 71.43 H new ATOM 0 HZ PHE A 30 11.564 18.485 -20.750 1.00 13.32 H new ATOM 481 N THR A 31 18.609 18.231 -25.251 1.00 24.24 N ATOM 482 CA THR A 31 19.986 18.268 -25.728 1.00 71.20 C ATOM 483 C THR A 31 20.182 19.377 -26.755 1.00 40.10 C ATOM 484 O THR A 31 21.087 20.201 -26.627 1.00 42.42 O ATOM 485 CB THR A 31 20.399 16.923 -26.356 1.00 51.31 C ATOM 486 OG1 THR A 31 20.071 15.847 -25.470 1.00 51.30 O ATOM 487 CG2 THR A 31 21.890 16.902 -26.657 1.00 51.25 C ATOM 0 H THR A 31 18.124 17.352 -25.430 1.00 24.24 H new ATOM 0 HA THR A 31 20.616 18.464 -24.861 1.00 71.20 H new ATOM 0 HB THR A 31 19.853 16.801 -27.292 1.00 51.31 H new ATOM 0 HG1 THR A 31 19.109 15.858 -25.284 1.00 51.30 H new ATOM 0 HG21 THR A 31 22.158 15.943 -27.100 1.00 51.25 H new ATOM 0 HG22 THR A 31 22.132 17.704 -27.355 1.00 51.25 H new ATOM 0 HG23 THR A 31 22.450 17.044 -25.733 1.00 51.25 H new ATOM 495 N SER A 32 19.328 19.392 -27.773 1.00 52.33 N ATOM 496 CA SER A 32 19.409 20.400 -28.824 1.00 13.21 C ATOM 497 C SER A 32 18.201 21.332 -28.777 1.00 63.32 C ATOM 498 O SER A 32 18.288 22.499 -29.160 1.00 10.43 O ATOM 499 CB SER A 32 19.498 19.731 -30.197 1.00 33.44 C ATOM 500 OG SER A 32 20.540 20.296 -30.973 1.00 74.31 O ATOM 0 H SER A 32 18.572 18.718 -27.893 1.00 52.33 H new ATOM 0 HA SER A 32 20.309 20.991 -28.657 1.00 13.21 H new ATOM 0 HB2 SER A 32 19.671 18.662 -30.074 1.00 33.44 H new ATOM 0 HB3 SER A 32 18.549 19.842 -30.721 1.00 33.44 H new ATOM 0 HG SER A 32 20.577 19.850 -31.845 1.00 74.31 H new ATOM 506 N LEU A 33 17.075 20.807 -28.306 1.00 5.20 N ATOM 507 CA LEU A 33 15.849 21.591 -28.208 1.00 73.41 C ATOM 508 C LEU A 33 15.388 22.055 -29.586 1.00 75.40 C ATOM 509 O LEU A 33 14.553 22.950 -29.703 1.00 55.44 O ATOM 510 CB LEU A 33 16.064 22.799 -27.296 1.00 14.52 C ATOM 511 CG LEU A 33 17.058 22.607 -26.150 1.00 52.40 C ATOM 512 CD1 LEU A 33 18.343 23.372 -26.425 1.00 24.10 C ATOM 513 CD2 LEU A 33 16.443 23.051 -24.831 1.00 0.14 C ATOM 0 H LEU A 33 16.986 19.843 -27.986 1.00 5.20 H new ATOM 0 HA LEU A 33 15.074 20.955 -27.781 1.00 73.41 H new ATOM 0 HB2 LEU A 33 16.403 23.635 -27.908 1.00 14.52 H new ATOM 0 HB3 LEU A 33 15.101 23.084 -26.871 1.00 14.52 H new ATOM 0 HG LEU A 33 17.299 21.546 -26.077 1.00 52.40 H new ATOM 0 HD11 LEU A 33 19.039 23.224 -25.599 1.00 24.10 H new ATOM 0 HD12 LEU A 33 18.793 23.007 -27.348 1.00 24.10 H new ATOM 0 HD13 LEU A 33 18.120 24.434 -26.525 1.00 24.10 H new ATOM 0 HD21 LEU A 33 17.164 22.907 -24.027 1.00 0.14 H new ATOM 0 HD22 LEU A 33 16.173 24.105 -24.892 1.00 0.14 H new ATOM 0 HD23 LEU A 33 15.551 22.459 -24.628 1.00 0.14 H new ATOM 525 N GLY A 34 15.936 21.436 -30.628 1.00 4.45 N ATOM 526 CA GLY A 34 15.567 21.798 -31.984 1.00 31.53 C ATOM 527 C GLY A 34 16.136 23.139 -32.402 1.00 71.30 C ATOM 528 O GLY A 34 16.637 23.287 -33.516 1.00 51.55 O ATOM 0 H GLY A 34 16.629 20.691 -30.557 1.00 4.45 H new ATOM 0 HA2 GLY A 34 15.919 21.028 -32.671 1.00 31.53 H new ATOM 0 HA3 GLY A 34 14.480 21.826 -32.066 1.00 31.53 H new HETATM 532 N NH2 A 35 16.097 24.087 -31.621 1.00 0.00 N TER 535 NH2 A 35