USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot 85:sc= 2.06 USER MOD Set 1.2: A 44 THR OG1 : rot -57:sc= 0.497 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.0325 K(o=1.2,f=-1.2!) USER MOD Set 2.2: A 32 SER OG : rot 174:sc= 1.2 USER MOD Single : A 1 SER N :NH3+ -156:sc= 0.932 (180deg=0.516) USER MOD Single : A 1 SER OG : rot -61:sc= 0.402 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -164:sc= 0.579 USER MOD Single : A 14 THR OG1 : rot -52:sc= 1.2 USER MOD Single : A 19 SER OG : rot -158:sc= 1.49 USER MOD Single : A 21 HIS : no HE2:sc= 0.562 K(o=0.56,f=-1.8!) USER MOD Single : A 22 LYS NZ :NH3+ -136:sc= 1.25 (180deg=0.159) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 2.17 (180deg=1.64) USER MOD Single : A 27 GLN : amide:sc= 0.0601 K(o=0.06,f=-3.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 140:sc= 0.857 USER MOD Single : A 47 THR OG1 : rot 60:sc= 0.287 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 117:sc= 1.18 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 29.107 42.587 30.784 1.00 0.00 N ATOM 2 CA SER A 1 29.458 43.220 29.501 1.00 0.00 C ATOM 3 C SER A 1 30.860 42.820 29.009 1.00 0.00 C ATOM 4 O SER A 1 31.050 42.592 27.810 1.00 0.00 O ATOM 5 CB SER A 1 29.320 44.754 29.591 1.00 0.00 C ATOM 6 OG SER A 1 30.377 45.392 30.282 1.00 0.00 O ATOM 0 H1 SER A 1 28.072 42.540 30.876 1.00 0.00 H new ATOM 0 H2 SER A 1 29.501 41.625 30.816 1.00 0.00 H new ATOM 0 H3 SER A 1 29.499 43.148 31.567 1.00 0.00 H new ATOM 0 HA SER A 1 28.749 42.850 28.760 1.00 0.00 H new ATOM 0 HB2 SER A 1 29.262 45.162 28.582 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.379 44.994 30.087 1.00 0.00 H new ATOM 0 HG SER A 1 30.407 45.067 31.206 1.00 0.00 H new ATOM 12 N THR A 2 31.826 42.717 29.938 1.00 0.00 N ATOM 13 CA THR A 2 33.268 42.554 29.687 1.00 0.00 C ATOM 14 C THR A 2 34.030 42.351 30.998 1.00 0.00 C ATOM 15 O THR A 2 33.520 42.686 32.071 1.00 0.00 O ATOM 16 CB THR A 2 33.792 43.758 28.883 1.00 0.00 C ATOM 17 OG1 THR A 2 35.037 43.425 28.326 1.00 0.00 O ATOM 18 CG2 THR A 2 33.919 45.048 29.703 1.00 0.00 C ATOM 0 H THR A 2 31.611 42.747 30.935 1.00 0.00 H new ATOM 0 HA THR A 2 33.434 41.657 29.091 1.00 0.00 H new ATOM 0 HB THR A 2 33.054 43.967 28.109 1.00 0.00 H new ATOM 0 HG1 THR A 2 35.378 44.185 27.810 1.00 0.00 H new ATOM 0 HG21 THR A 2 34.294 45.849 29.066 1.00 0.00 H new ATOM 0 HG22 THR A 2 32.942 45.326 30.098 1.00 0.00 H new ATOM 0 HG23 THR A 2 34.612 44.887 30.529 1.00 0.00 H new ATOM 26 N LEU A 3 35.248 41.811 30.925 1.00 0.00 N ATOM 27 CA LEU A 3 36.165 41.683 32.063 1.00 0.00 C ATOM 28 C LEU A 3 37.102 42.897 32.220 1.00 0.00 C ATOM 29 O LEU A 3 37.227 43.741 31.329 1.00 0.00 O ATOM 30 CB LEU A 3 37.015 40.399 31.901 1.00 0.00 C ATOM 31 CG LEU A 3 36.259 39.063 31.807 1.00 0.00 C ATOM 32 CD1 LEU A 3 37.290 37.924 31.742 1.00 0.00 C ATOM 33 CD2 LEU A 3 35.316 38.847 32.997 1.00 0.00 C ATOM 0 H LEU A 3 35.634 41.442 30.056 1.00 0.00 H new ATOM 0 HA LEU A 3 35.551 41.630 32.962 1.00 0.00 H new ATOM 0 HB2 LEU A 3 37.623 40.507 31.003 1.00 0.00 H new ATOM 0 HB3 LEU A 3 37.702 40.340 32.745 1.00 0.00 H new ATOM 0 HG LEU A 3 35.641 39.078 30.909 1.00 0.00 H new ATOM 0 HD11 LEU A 3 36.772 36.967 31.675 1.00 0.00 H new ATOM 0 HD12 LEU A 3 37.923 38.056 30.865 1.00 0.00 H new ATOM 0 HD13 LEU A 3 37.907 37.940 32.640 1.00 0.00 H new ATOM 0 HD21 LEU A 3 34.804 37.891 32.887 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.892 38.846 33.922 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.580 39.651 33.029 1.00 0.00 H new ATOM 45 N PHE A 4 37.896 42.837 33.290 1.00 0.00 N ATOM 46 CA PHE A 4 39.013 43.704 33.645 1.00 0.00 C ATOM 47 C PHE A 4 39.890 43.021 34.713 1.00 0.00 C ATOM 48 O PHE A 4 39.422 42.137 35.432 1.00 0.00 O ATOM 49 CB PHE A 4 38.473 45.061 34.133 1.00 0.00 C ATOM 50 CG PHE A 4 39.505 46.170 34.119 1.00 0.00 C ATOM 51 CD1 PHE A 4 40.073 46.571 32.896 1.00 0.00 C ATOM 52 CD2 PHE A 4 39.905 46.794 35.315 1.00 0.00 C ATOM 53 CE1 PHE A 4 41.049 47.580 32.867 1.00 0.00 C ATOM 54 CE2 PHE A 4 40.873 47.814 35.283 1.00 0.00 C ATOM 55 CZ PHE A 4 41.448 48.205 34.060 1.00 0.00 C ATOM 0 H PHE A 4 37.758 42.111 33.993 1.00 0.00 H new ATOM 0 HA PHE A 4 39.638 43.883 32.770 1.00 0.00 H new ATOM 0 HB2 PHE A 4 37.631 45.353 33.506 1.00 0.00 H new ATOM 0 HB3 PHE A 4 38.091 44.946 35.147 1.00 0.00 H new ATOM 0 HD1 PHE A 4 39.757 46.101 31.976 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.470 46.490 36.256 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.493 47.875 31.928 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.176 48.298 36.200 1.00 0.00 H new ATOM 0 HZ PHE A 4 42.195 48.985 34.038 1.00 0.00 H new ATOM 65 N GLU A 5 41.156 43.424 34.834 1.00 0.00 N ATOM 66 CA GLU A 5 42.034 43.029 35.942 1.00 0.00 C ATOM 67 C GLU A 5 42.431 44.280 36.733 1.00 0.00 C ATOM 68 O GLU A 5 42.739 45.317 36.143 1.00 0.00 O ATOM 69 CB GLU A 5 43.261 42.276 35.404 1.00 0.00 C ATOM 70 CG GLU A 5 44.048 41.596 36.529 1.00 0.00 C ATOM 71 CD GLU A 5 45.098 40.625 35.975 1.00 0.00 C ATOM 72 OE1 GLU A 5 44.721 39.486 35.612 1.00 0.00 O ATOM 73 OE2 GLU A 5 46.297 40.979 35.932 1.00 0.00 O ATOM 0 H GLU A 5 41.608 44.041 34.159 1.00 0.00 H new ATOM 0 HA GLU A 5 41.510 42.349 36.614 1.00 0.00 H new ATOM 0 HB2 GLU A 5 42.940 41.527 34.681 1.00 0.00 H new ATOM 0 HB3 GLU A 5 43.911 42.972 34.874 1.00 0.00 H new ATOM 0 HG2 GLU A 5 44.538 42.354 37.140 1.00 0.00 H new ATOM 0 HG3 GLU A 5 43.360 41.057 37.181 1.00 0.00 H new ATOM 80 N ALA A 6 42.360 44.223 38.063 1.00 0.00 N ATOM 81 CA ALA A 6 42.678 45.312 38.971 1.00 0.00 C ATOM 82 C ALA A 6 44.156 45.699 38.853 1.00 0.00 C ATOM 83 O ALA A 6 45.050 44.895 39.135 1.00 0.00 O ATOM 84 CB ALA A 6 42.303 44.882 40.396 1.00 0.00 C ATOM 0 H ALA A 6 42.066 43.378 38.553 1.00 0.00 H new ATOM 0 HA ALA A 6 42.104 46.202 38.712 1.00 0.00 H new ATOM 0 HB1 ALA A 6 42.535 45.688 41.092 1.00 0.00 H new ATOM 0 HB2 ALA A 6 41.237 44.660 40.440 1.00 0.00 H new ATOM 0 HB3 ALA A 6 42.871 43.992 40.669 1.00 0.00 H new ATOM 90 N LEU A 7 44.395 46.946 38.447 1.00 0.00 N ATOM 91 CA LEU A 7 45.722 47.515 38.218 1.00 0.00 C ATOM 92 C LEU A 7 46.358 48.068 39.507 1.00 0.00 C ATOM 93 O LEU A 7 47.507 48.509 39.480 1.00 0.00 O ATOM 94 CB LEU A 7 45.609 48.601 37.127 1.00 0.00 C ATOM 95 CG LEU A 7 44.996 48.151 35.780 1.00 0.00 C ATOM 96 CD1 LEU A 7 45.076 49.309 34.772 1.00 0.00 C ATOM 97 CD2 LEU A 7 45.696 46.920 35.185 1.00 0.00 C ATOM 0 H LEU A 7 43.643 47.610 38.262 1.00 0.00 H new ATOM 0 HA LEU A 7 46.390 46.723 37.881 1.00 0.00 H new ATOM 0 HB2 LEU A 7 45.008 49.421 37.520 1.00 0.00 H new ATOM 0 HB3 LEU A 7 46.605 48.999 36.935 1.00 0.00 H new ATOM 0 HG LEU A 7 43.961 47.873 35.977 1.00 0.00 H new ATOM 0 HD11 LEU A 7 44.645 48.995 33.822 1.00 0.00 H new ATOM 0 HD12 LEU A 7 44.522 50.165 35.157 1.00 0.00 H new ATOM 0 HD13 LEU A 7 46.119 49.590 34.622 1.00 0.00 H new ATOM 0 HD21 LEU A 7 45.221 46.652 34.241 1.00 0.00 H new ATOM 0 HD22 LEU A 7 46.747 47.148 35.011 1.00 0.00 H new ATOM 0 HD23 LEU A 7 45.617 46.085 35.881 1.00 0.00 H new ATOM 109 N TYR A 8 45.632 48.051 40.631 1.00 0.00 N ATOM 110 CA TYR A 8 46.026 48.659 41.908 1.00 0.00 C ATOM 111 C TYR A 8 45.226 48.080 43.096 1.00 0.00 C ATOM 112 O TYR A 8 44.305 47.286 42.901 1.00 0.00 O ATOM 113 CB TYR A 8 45.854 50.185 41.793 1.00 0.00 C ATOM 114 CG TYR A 8 46.596 51.014 42.823 1.00 0.00 C ATOM 115 CD1 TYR A 8 47.981 50.838 43.005 1.00 0.00 C ATOM 116 CD2 TYR A 8 45.915 52.001 43.561 1.00 0.00 C ATOM 117 CE1 TYR A 8 48.685 51.644 43.915 1.00 0.00 C ATOM 118 CE2 TYR A 8 46.615 52.820 44.467 1.00 0.00 C ATOM 119 CZ TYR A 8 48.008 52.646 44.642 1.00 0.00 C ATOM 120 OH TYR A 8 48.707 53.446 45.490 1.00 0.00 O ATOM 0 H TYR A 8 44.720 47.597 40.678 1.00 0.00 H new ATOM 0 HA TYR A 8 47.071 48.424 42.112 1.00 0.00 H new ATOM 0 HB2 TYR A 8 46.182 50.495 40.801 1.00 0.00 H new ATOM 0 HB3 TYR A 8 44.792 50.418 41.864 1.00 0.00 H new ATOM 0 HD1 TYR A 8 48.505 50.080 42.442 1.00 0.00 H new ATOM 0 HD2 TYR A 8 44.851 52.130 43.431 1.00 0.00 H new ATOM 0 HE1 TYR A 8 49.745 51.497 44.058 1.00 0.00 H new ATOM 0 HE2 TYR A 8 46.090 53.579 45.027 1.00 0.00 H new ATOM 0 HH TYR A 8 48.097 54.085 45.914 1.00 0.00 H new ATOM 130 N ASP A 9 45.591 48.452 44.324 1.00 0.00 N ATOM 131 CA ASP A 9 44.932 48.054 45.577 1.00 0.00 C ATOM 132 C ASP A 9 43.922 49.113 46.080 1.00 0.00 C ATOM 133 O ASP A 9 44.065 50.309 45.815 1.00 0.00 O ATOM 134 CB ASP A 9 46.004 47.799 46.648 1.00 0.00 C ATOM 135 CG ASP A 9 46.995 46.686 46.272 1.00 0.00 C ATOM 136 OD1 ASP A 9 48.031 46.993 45.636 1.00 0.00 O ATOM 137 OD2 ASP A 9 46.753 45.513 46.641 1.00 0.00 O ATOM 0 H ASP A 9 46.389 49.066 44.483 1.00 0.00 H new ATOM 0 HA ASP A 9 44.364 47.145 45.381 1.00 0.00 H new ATOM 0 HB2 ASP A 9 46.556 48.722 46.824 1.00 0.00 H new ATOM 0 HB3 ASP A 9 45.514 47.537 47.586 1.00 0.00 H new ATOM 142 N TYR A 10 42.919 48.675 46.850 1.00 0.00 N ATOM 143 CA TYR A 10 41.810 49.496 47.365 1.00 0.00 C ATOM 144 C TYR A 10 41.115 48.865 48.595 1.00 0.00 C ATOM 145 O TYR A 10 41.236 47.663 48.845 1.00 0.00 O ATOM 146 CB TYR A 10 40.811 49.724 46.215 1.00 0.00 C ATOM 147 CG TYR A 10 39.641 50.636 46.526 1.00 0.00 C ATOM 148 CD1 TYR A 10 39.861 52.004 46.775 1.00 0.00 C ATOM 149 CD2 TYR A 10 38.334 50.115 46.587 1.00 0.00 C ATOM 150 CE1 TYR A 10 38.781 52.851 47.078 1.00 0.00 C ATOM 151 CE2 TYR A 10 37.246 50.956 46.883 1.00 0.00 C ATOM 152 CZ TYR A 10 37.470 52.329 47.126 1.00 0.00 C ATOM 153 OH TYR A 10 36.431 53.162 47.382 1.00 0.00 O ATOM 0 H TYR A 10 42.852 47.701 47.145 1.00 0.00 H new ATOM 0 HA TYR A 10 42.211 50.447 47.716 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.353 50.138 45.365 1.00 0.00 H new ATOM 0 HB3 TYR A 10 40.419 48.756 45.902 1.00 0.00 H new ATOM 0 HD1 TYR A 10 40.863 52.404 46.733 1.00 0.00 H new ATOM 0 HD2 TYR A 10 38.166 49.064 46.405 1.00 0.00 H new ATOM 0 HE1 TYR A 10 38.954 53.899 47.274 1.00 0.00 H new ATOM 0 HE2 TYR A 10 36.245 50.554 46.924 1.00 0.00 H new ATOM 0 HH TYR A 10 35.641 52.635 47.625 1.00 0.00 H new ATOM 163 N GLU A 11 40.297 49.647 49.309 1.00 0.00 N ATOM 164 CA GLU A 11 39.587 49.252 50.528 1.00 0.00 C ATOM 165 C GLU A 11 38.340 50.133 50.708 1.00 0.00 C ATOM 166 O GLU A 11 38.427 51.360 50.808 1.00 0.00 O ATOM 167 CB GLU A 11 40.520 49.336 51.751 1.00 0.00 C ATOM 168 CG GLU A 11 39.949 48.609 52.974 1.00 0.00 C ATOM 169 CD GLU A 11 39.973 47.086 52.796 1.00 0.00 C ATOM 170 OE1 GLU A 11 41.039 46.468 53.025 1.00 0.00 O ATOM 171 OE2 GLU A 11 38.912 46.520 52.436 1.00 0.00 O ATOM 0 H GLU A 11 40.105 50.612 49.041 1.00 0.00 H new ATOM 0 HA GLU A 11 39.264 48.215 50.437 1.00 0.00 H new ATOM 0 HB2 GLU A 11 41.488 48.906 51.496 1.00 0.00 H new ATOM 0 HB3 GLU A 11 40.692 50.383 52.002 1.00 0.00 H new ATOM 0 HG2 GLU A 11 40.524 48.880 53.859 1.00 0.00 H new ATOM 0 HG3 GLU A 11 38.924 48.938 53.147 1.00 0.00 H new ATOM 178 N ALA A 12 37.175 49.493 50.737 1.00 0.00 N ATOM 179 CA ALA A 12 35.881 50.074 50.405 1.00 0.00 C ATOM 180 C ALA A 12 35.377 51.171 51.367 1.00 0.00 C ATOM 181 O ALA A 12 35.257 50.970 52.579 1.00 0.00 O ATOM 182 CB ALA A 12 34.888 48.914 50.272 1.00 0.00 C ATOM 0 H ALA A 12 37.106 48.511 51.005 1.00 0.00 H new ATOM 0 HA ALA A 12 35.987 50.620 49.467 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.902 49.306 50.023 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.220 48.239 49.483 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.835 48.371 51.215 1.00 0.00 H new ATOM 188 N ARG A 13 34.903 52.261 50.757 1.00 0.00 N ATOM 189 CA ARG A 13 34.591 53.544 51.396 1.00 0.00 C ATOM 190 C ARG A 13 33.119 53.712 51.808 1.00 0.00 C ATOM 191 O ARG A 13 32.871 54.324 52.850 1.00 0.00 O ATOM 192 CB ARG A 13 34.999 54.688 50.446 1.00 0.00 C ATOM 193 CG ARG A 13 36.514 54.872 50.230 1.00 0.00 C ATOM 194 CD ARG A 13 37.300 55.161 51.516 1.00 0.00 C ATOM 195 NE ARG A 13 37.760 53.910 52.136 1.00 0.00 N ATOM 196 CZ ARG A 13 37.841 53.597 53.420 1.00 0.00 C ATOM 197 NH1 ARG A 13 37.515 54.439 54.382 1.00 0.00 N ATOM 198 NH2 ARG A 13 38.262 52.392 53.733 1.00 0.00 N ATOM 0 H ARG A 13 34.717 52.274 49.754 1.00 0.00 H new ATOM 0 HA ARG A 13 35.160 53.572 52.325 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.531 54.514 49.477 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.591 55.621 50.835 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.916 53.971 49.766 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.673 55.690 49.528 1.00 0.00 H new ATOM 0 HD2 ARG A 13 38.156 55.797 51.290 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.671 55.710 52.217 1.00 0.00 H new ATOM 0 HE ARG A 13 38.058 53.182 51.487 1.00 0.00 H new ATOM 0 HH11 ARG A 13 37.184 55.376 54.150 1.00 0.00 H new ATOM 0 HH12 ARG A 13 37.594 54.153 55.358 1.00 0.00 H new ATOM 0 HH21 ARG A 13 38.514 51.733 52.997 1.00 0.00 H new ATOM 0 HH22 ARG A 13 38.337 52.116 54.712 1.00 0.00 H new ATOM 212 N THR A 14 32.143 53.211 51.033 1.00 0.00 N ATOM 213 CA THR A 14 30.693 53.332 51.315 1.00 0.00 C ATOM 214 C THR A 14 30.166 52.114 52.070 1.00 0.00 C ATOM 215 O THR A 14 29.306 52.291 52.928 1.00 0.00 O ATOM 216 CB THR A 14 29.842 53.583 50.047 1.00 0.00 C ATOM 217 OG1 THR A 14 29.541 52.387 49.376 1.00 0.00 O ATOM 218 CG2 THR A 14 30.440 54.568 49.034 1.00 0.00 C ATOM 0 H THR A 14 32.339 52.699 50.173 1.00 0.00 H new ATOM 0 HA THR A 14 30.591 54.213 51.948 1.00 0.00 H new ATOM 0 HB THR A 14 28.939 54.046 50.444 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.367 51.885 49.215 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.765 54.671 48.185 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.577 55.540 49.509 1.00 0.00 H new ATOM 0 HG23 THR A 14 31.403 54.194 48.688 1.00 0.00 H new ATOM 226 N GLU A 15 30.681 50.919 51.732 1.00 0.00 N ATOM 227 CA GLU A 15 30.375 49.554 52.213 1.00 0.00 C ATOM 228 C GLU A 15 29.555 48.750 51.173 1.00 0.00 C ATOM 229 O GLU A 15 29.490 47.522 51.241 1.00 0.00 O ATOM 230 CB GLU A 15 29.732 49.546 53.615 1.00 0.00 C ATOM 231 CG GLU A 15 29.749 48.184 54.316 1.00 0.00 C ATOM 232 CD GLU A 15 29.457 48.348 55.815 1.00 0.00 C ATOM 233 OE1 GLU A 15 28.273 48.515 56.192 1.00 0.00 O ATOM 234 OE2 GLU A 15 30.412 48.305 56.625 1.00 0.00 O ATOM 0 H GLU A 15 31.415 50.880 51.025 1.00 0.00 H new ATOM 0 HA GLU A 15 31.329 49.039 52.326 1.00 0.00 H new ATOM 0 HB2 GLU A 15 30.252 50.270 54.243 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.699 49.883 53.529 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.006 47.526 53.864 1.00 0.00 H new ATOM 0 HG3 GLU A 15 30.721 47.709 54.178 1.00 0.00 H new ATOM 241 N ASP A 16 28.969 49.429 50.178 1.00 0.00 N ATOM 242 CA ASP A 16 28.311 48.842 48.997 1.00 0.00 C ATOM 243 C ASP A 16 29.297 48.601 47.828 1.00 0.00 C ATOM 244 O ASP A 16 29.026 47.829 46.906 1.00 0.00 O ATOM 245 CB ASP A 16 27.187 49.802 48.570 1.00 0.00 C ATOM 246 CG ASP A 16 26.136 49.180 47.635 1.00 0.00 C ATOM 247 OD1 ASP A 16 25.746 48.005 47.840 1.00 0.00 O ATOM 248 OD2 ASP A 16 25.636 49.908 46.747 1.00 0.00 O ATOM 0 H ASP A 16 28.938 50.449 50.171 1.00 0.00 H new ATOM 0 HA ASP A 16 27.912 47.862 49.259 1.00 0.00 H new ATOM 0 HB2 ASP A 16 26.685 50.174 49.463 1.00 0.00 H new ATOM 0 HB3 ASP A 16 27.632 50.664 48.073 1.00 0.00 H new ATOM 253 N ASP A 17 30.460 49.255 47.884 1.00 0.00 N ATOM 254 CA ASP A 17 31.639 48.996 47.067 1.00 0.00 C ATOM 255 C ASP A 17 32.465 47.800 47.589 1.00 0.00 C ATOM 256 O ASP A 17 32.311 47.340 48.724 1.00 0.00 O ATOM 257 CB ASP A 17 32.467 50.289 46.870 1.00 0.00 C ATOM 258 CG ASP A 17 32.885 51.069 48.131 1.00 0.00 C ATOM 259 OD1 ASP A 17 32.069 51.207 49.078 1.00 0.00 O ATOM 260 OD2 ASP A 17 34.012 51.622 48.127 1.00 0.00 O ATOM 0 H ASP A 17 30.608 50.022 48.539 1.00 0.00 H new ATOM 0 HA ASP A 17 31.304 48.690 46.076 1.00 0.00 H new ATOM 0 HB2 ASP A 17 33.372 50.028 46.322 1.00 0.00 H new ATOM 0 HB3 ASP A 17 31.892 50.962 46.234 1.00 0.00 H new ATOM 265 N LEU A 18 33.335 47.282 46.717 1.00 0.00 N ATOM 266 CA LEU A 18 34.172 46.109 46.950 1.00 0.00 C ATOM 267 C LEU A 18 35.627 46.504 47.169 1.00 0.00 C ATOM 268 O LEU A 18 36.114 47.510 46.655 1.00 0.00 O ATOM 269 CB LEU A 18 34.099 45.139 45.757 1.00 0.00 C ATOM 270 CG LEU A 18 32.733 44.473 45.506 1.00 0.00 C ATOM 271 CD1 LEU A 18 32.883 43.475 44.347 1.00 0.00 C ATOM 272 CD2 LEU A 18 32.201 43.746 46.751 1.00 0.00 C ATOM 0 H LEU A 18 33.479 47.688 45.792 1.00 0.00 H new ATOM 0 HA LEU A 18 33.793 45.618 47.847 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.387 45.681 44.856 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.841 44.354 45.907 1.00 0.00 H new ATOM 0 HG LEU A 18 32.012 45.252 45.259 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.924 42.993 44.155 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.209 44.004 43.451 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.622 42.719 44.611 1.00 0.00 H new ATOM 0 HD21 LEU A 18 31.236 43.293 46.523 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.906 42.969 47.047 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.083 44.460 47.567 1.00 0.00 H new ATOM 284 N SER A 19 36.335 45.645 47.886 1.00 0.00 N ATOM 285 CA SER A 19 37.771 45.769 48.112 1.00 0.00 C ATOM 286 C SER A 19 38.561 44.760 47.293 1.00 0.00 C ATOM 287 O SER A 19 38.083 43.653 47.020 1.00 0.00 O ATOM 288 CB SER A 19 38.056 45.554 49.583 1.00 0.00 C ATOM 289 OG SER A 19 37.317 46.523 50.283 1.00 0.00 O ATOM 0 H SER A 19 35.923 44.827 48.336 1.00 0.00 H new ATOM 0 HA SER A 19 38.081 46.766 47.800 1.00 0.00 H new ATOM 0 HB2 SER A 19 37.766 44.549 49.891 1.00 0.00 H new ATOM 0 HB3 SER A 19 39.121 45.656 49.790 1.00 0.00 H new ATOM 0 HG SER A 19 37.711 46.657 51.170 1.00 0.00 H new ATOM 295 N PHE A 20 39.781 45.137 46.908 1.00 0.00 N ATOM 296 CA PHE A 20 40.551 44.392 45.925 1.00 0.00 C ATOM 297 C PHE A 20 42.060 44.612 46.044 1.00 0.00 C ATOM 298 O PHE A 20 42.546 45.580 46.631 1.00 0.00 O ATOM 299 CB PHE A 20 40.000 44.685 44.518 1.00 0.00 C ATOM 300 CG PHE A 20 39.985 46.143 44.076 1.00 0.00 C ATOM 301 CD1 PHE A 20 41.134 46.714 43.501 1.00 0.00 C ATOM 302 CD2 PHE A 20 38.808 46.914 44.184 1.00 0.00 C ATOM 303 CE1 PHE A 20 41.106 48.037 43.023 1.00 0.00 C ATOM 304 CE2 PHE A 20 38.779 48.235 43.698 1.00 0.00 C ATOM 305 CZ PHE A 20 39.927 48.795 43.114 1.00 0.00 C ATOM 0 H PHE A 20 40.257 45.964 47.270 1.00 0.00 H new ATOM 0 HA PHE A 20 40.427 43.328 46.126 1.00 0.00 H new ATOM 0 HB2 PHE A 20 40.589 44.118 43.798 1.00 0.00 H new ATOM 0 HB3 PHE A 20 38.980 44.304 44.466 1.00 0.00 H new ATOM 0 HD1 PHE A 20 42.042 46.134 43.426 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.926 46.489 44.641 1.00 0.00 H new ATOM 0 HE1 PHE A 20 41.993 48.471 42.585 1.00 0.00 H new ATOM 0 HE2 PHE A 20 37.873 48.818 43.774 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.903 49.806 42.736 1.00 0.00 H new ATOM 315 N HIS A 21 42.787 43.672 45.453 1.00 0.00 N ATOM 316 CA HIS A 21 44.237 43.666 45.352 1.00 0.00 C ATOM 317 C HIS A 21 44.636 43.580 43.874 1.00 0.00 C ATOM 318 O HIS A 21 43.923 42.985 43.056 1.00 0.00 O ATOM 319 CB HIS A 21 44.794 42.478 46.148 1.00 0.00 C ATOM 320 CG HIS A 21 44.743 42.665 47.645 1.00 0.00 C ATOM 321 ND1 HIS A 21 45.555 43.501 48.367 1.00 0.00 N ATOM 322 CD2 HIS A 21 43.948 42.008 48.546 1.00 0.00 C ATOM 323 CE1 HIS A 21 45.276 43.343 49.668 1.00 0.00 C ATOM 324 NE2 HIS A 21 44.295 42.438 49.835 1.00 0.00 N ATOM 0 H HIS A 21 42.360 42.857 45.012 1.00 0.00 H new ATOM 0 HA HIS A 21 44.653 44.583 45.769 1.00 0.00 H new ATOM 0 HB2 HIS A 21 44.232 41.582 45.885 1.00 0.00 H new ATOM 0 HB3 HIS A 21 45.828 42.306 45.849 1.00 0.00 H new ATOM 0 HD1 HIS A 21 46.253 44.136 47.979 1.00 0.00 H new ATOM 0 HD2 HIS A 21 43.185 41.283 48.305 1.00 0.00 H new ATOM 0 HE1 HIS A 21 45.770 43.869 50.471 1.00 0.00 H new ATOM 332 N LYS A 22 45.772 44.183 43.522 1.00 0.00 N ATOM 333 CA LYS A 22 46.297 44.130 42.157 1.00 0.00 C ATOM 334 C LYS A 22 46.480 42.673 41.682 1.00 0.00 C ATOM 335 O LYS A 22 47.139 41.863 42.340 1.00 0.00 O ATOM 336 CB LYS A 22 47.562 44.997 42.041 1.00 0.00 C ATOM 337 CG LYS A 22 48.699 44.604 42.999 1.00 0.00 C ATOM 338 CD LYS A 22 49.837 45.630 42.920 1.00 0.00 C ATOM 339 CE LYS A 22 50.925 45.407 43.981 1.00 0.00 C ATOM 340 NZ LYS A 22 50.405 45.527 45.367 1.00 0.00 N ATOM 0 H LYS A 22 46.351 44.718 44.170 1.00 0.00 H new ATOM 0 HA LYS A 22 45.569 44.560 41.470 1.00 0.00 H new ATOM 0 HB2 LYS A 22 47.932 44.941 41.017 1.00 0.00 H new ATOM 0 HB3 LYS A 22 47.292 46.037 42.226 1.00 0.00 H new ATOM 0 HG2 LYS A 22 48.321 44.547 44.020 1.00 0.00 H new ATOM 0 HG3 LYS A 22 49.074 43.613 42.743 1.00 0.00 H new ATOM 0 HD2 LYS A 22 50.290 45.586 41.929 1.00 0.00 H new ATOM 0 HD3 LYS A 22 49.424 46.632 43.037 1.00 0.00 H new ATOM 0 HE2 LYS A 22 51.362 44.418 43.845 1.00 0.00 H new ATOM 0 HE3 LYS A 22 51.725 46.132 43.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 51.069 46.087 45.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 49.479 45.999 45.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 50.303 44.579 45.783 1.00 0.00 H new ATOM 354 N GLY A 23 45.847 42.334 40.555 1.00 0.00 N ATOM 355 CA GLY A 23 45.726 40.973 40.017 1.00 0.00 C ATOM 356 C GLY A 23 44.339 40.337 40.169 1.00 0.00 C ATOM 357 O GLY A 23 44.090 39.344 39.485 1.00 0.00 O ATOM 0 H GLY A 23 45.385 43.028 39.967 1.00 0.00 H new ATOM 0 HA2 GLY A 23 45.986 40.992 38.959 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.458 40.336 40.514 1.00 0.00 H new ATOM 361 N GLU A 24 43.424 40.892 40.976 1.00 0.00 N ATOM 362 CA GLU A 24 42.027 40.434 41.032 1.00 0.00 C ATOM 363 C GLU A 24 41.333 40.664 39.685 1.00 0.00 C ATOM 364 O GLU A 24 41.431 41.734 39.083 1.00 0.00 O ATOM 365 CB GLU A 24 41.232 41.110 42.170 1.00 0.00 C ATOM 366 CG GLU A 24 39.702 40.859 42.186 1.00 0.00 C ATOM 367 CD GLU A 24 39.214 39.396 42.348 1.00 0.00 C ATOM 368 OE1 GLU A 24 39.910 38.450 41.907 1.00 0.00 O ATOM 369 OE2 GLU A 24 38.087 39.192 42.867 1.00 0.00 O ATOM 0 H GLU A 24 43.629 41.668 41.606 1.00 0.00 H new ATOM 0 HA GLU A 24 42.049 39.365 41.246 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.643 40.773 43.121 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.401 42.185 42.113 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.274 41.447 42.998 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.288 41.250 41.256 1.00 0.00 H new ATOM 376 N LYS A 25 40.597 39.653 39.234 1.00 0.00 N ATOM 377 CA LYS A 25 39.816 39.686 38.004 1.00 0.00 C ATOM 378 C LYS A 25 38.356 40.073 38.302 1.00 0.00 C ATOM 379 O LYS A 25 37.677 39.442 39.118 1.00 0.00 O ATOM 380 CB LYS A 25 39.916 38.333 37.275 1.00 0.00 C ATOM 381 CG LYS A 25 41.348 37.918 36.877 1.00 0.00 C ATOM 382 CD LYS A 25 42.026 37.011 37.921 1.00 0.00 C ATOM 383 CE LYS A 25 43.361 36.418 37.442 1.00 0.00 C ATOM 384 NZ LYS A 25 44.468 37.400 37.428 1.00 0.00 N ATOM 0 H LYS A 25 40.526 38.764 39.729 1.00 0.00 H new ATOM 0 HA LYS A 25 40.224 40.449 37.341 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.493 37.559 37.915 1.00 0.00 H new ATOM 0 HB3 LYS A 25 39.301 38.374 36.376 1.00 0.00 H new ATOM 0 HG2 LYS A 25 41.316 37.399 35.919 1.00 0.00 H new ATOM 0 HG3 LYS A 25 41.953 38.813 36.735 1.00 0.00 H new ATOM 0 HD2 LYS A 25 42.198 37.584 38.832 1.00 0.00 H new ATOM 0 HD3 LYS A 25 41.348 36.198 38.179 1.00 0.00 H new ATOM 0 HE2 LYS A 25 43.633 35.584 38.089 1.00 0.00 H new ATOM 0 HE3 LYS A 25 43.231 36.013 36.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 45.378 36.897 37.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 44.410 37.976 36.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 44.395 38.018 38.261 1.00 0.00 H new ATOM 398 N PHE A 26 37.867 41.103 37.617 1.00 0.00 N ATOM 399 CA PHE A 26 36.508 41.630 37.711 1.00 0.00 C ATOM 400 C PHE A 26 35.720 41.386 36.414 1.00 0.00 C ATOM 401 O PHE A 26 36.256 41.492 35.314 1.00 0.00 O ATOM 402 CB PHE A 26 36.578 43.137 38.010 1.00 0.00 C ATOM 403 CG PHE A 26 36.801 43.496 39.468 1.00 0.00 C ATOM 404 CD1 PHE A 26 35.688 43.703 40.305 1.00 0.00 C ATOM 405 CD2 PHE A 26 38.100 43.678 39.980 1.00 0.00 C ATOM 406 CE1 PHE A 26 35.869 44.116 41.636 1.00 0.00 C ATOM 407 CE2 PHE A 26 38.280 44.091 41.313 1.00 0.00 C ATOM 408 CZ PHE A 26 37.163 44.319 42.136 1.00 0.00 C ATOM 0 H PHE A 26 38.437 41.619 36.947 1.00 0.00 H new ATOM 0 HA PHE A 26 35.986 41.111 38.515 1.00 0.00 H new ATOM 0 HB2 PHE A 26 37.383 43.572 37.418 1.00 0.00 H new ATOM 0 HB3 PHE A 26 35.650 43.601 37.676 1.00 0.00 H new ATOM 0 HD1 PHE A 26 34.691 43.544 39.922 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.959 43.501 39.349 1.00 0.00 H new ATOM 0 HE1 PHE A 26 35.012 44.277 42.273 1.00 0.00 H new ATOM 0 HE2 PHE A 26 39.277 44.233 41.704 1.00 0.00 H new ATOM 0 HZ PHE A 26 37.302 44.651 43.154 1.00 0.00 H new ATOM 418 N GLN A 27 34.418 41.148 36.554 1.00 0.00 N ATOM 419 CA GLN A 27 33.405 41.265 35.510 1.00 0.00 C ATOM 420 C GLN A 27 32.680 42.602 35.721 1.00 0.00 C ATOM 421 O GLN A 27 32.225 42.896 36.826 1.00 0.00 O ATOM 422 CB GLN A 27 32.452 40.059 35.625 1.00 0.00 C ATOM 423 CG GLN A 27 31.295 40.073 34.612 1.00 0.00 C ATOM 424 CD GLN A 27 30.370 38.861 34.778 1.00 0.00 C ATOM 425 OE1 GLN A 27 29.348 38.905 35.453 1.00 0.00 O ATOM 426 NE2 GLN A 27 30.687 37.725 34.190 1.00 0.00 N ATOM 0 H GLN A 27 34.021 40.853 37.446 1.00 0.00 H new ATOM 0 HA GLN A 27 33.833 41.256 34.508 1.00 0.00 H new ATOM 0 HB2 GLN A 27 33.026 39.142 35.492 1.00 0.00 H new ATOM 0 HB3 GLN A 27 32.038 40.032 36.633 1.00 0.00 H new ATOM 0 HG2 GLN A 27 30.717 40.989 34.734 1.00 0.00 H new ATOM 0 HG3 GLN A 27 31.700 40.084 33.600 1.00 0.00 H new ATOM 0 HE21 GLN A 27 31.533 37.663 33.623 1.00 0.00 H new ATOM 0 HE22 GLN A 27 30.087 36.908 34.302 1.00 0.00 H new ATOM 435 N ILE A 28 32.530 43.398 34.661 1.00 0.00 N ATOM 436 CA ILE A 28 31.830 44.687 34.680 1.00 0.00 C ATOM 437 C ILE A 28 30.398 44.490 34.166 1.00 0.00 C ATOM 438 O ILE A 28 30.177 44.113 33.007 1.00 0.00 O ATOM 439 CB ILE A 28 32.583 45.751 33.847 1.00 0.00 C ATOM 440 CG1 ILE A 28 34.110 45.820 34.097 1.00 0.00 C ATOM 441 CG2 ILE A 28 31.928 47.128 34.070 1.00 0.00 C ATOM 442 CD1 ILE A 28 34.553 46.033 35.550 1.00 0.00 C ATOM 0 H ILE A 28 32.901 43.159 33.741 1.00 0.00 H new ATOM 0 HA ILE A 28 31.795 45.056 35.705 1.00 0.00 H new ATOM 0 HB ILE A 28 32.492 45.442 32.806 1.00 0.00 H new ATOM 0 HG12 ILE A 28 34.558 44.894 33.735 1.00 0.00 H new ATOM 0 HG13 ILE A 28 34.519 46.630 33.493 1.00 0.00 H new ATOM 0 HG21 ILE A 28 32.456 47.881 33.485 1.00 0.00 H new ATOM 0 HG22 ILE A 28 30.885 47.090 33.756 1.00 0.00 H new ATOM 0 HG23 ILE A 28 31.980 47.389 35.127 1.00 0.00 H new ATOM 0 HD11 ILE A 28 35.642 46.064 35.598 1.00 0.00 H new ATOM 0 HD12 ILE A 28 34.147 46.974 35.920 1.00 0.00 H new ATOM 0 HD13 ILE A 28 34.186 45.212 36.166 1.00 0.00 H new ATOM 454 N LEU A 29 29.430 44.760 35.039 1.00 0.00 N ATOM 455 CA LEU A 29 27.999 44.559 34.828 1.00 0.00 C ATOM 456 C LEU A 29 27.359 45.768 34.129 1.00 0.00 C ATOM 457 O LEU A 29 26.562 45.573 33.211 1.00 0.00 O ATOM 458 CB LEU A 29 27.332 44.286 36.195 1.00 0.00 C ATOM 459 CG LEU A 29 27.929 43.117 37.011 1.00 0.00 C ATOM 460 CD1 LEU A 29 27.207 43.007 38.361 1.00 0.00 C ATOM 461 CD2 LEU A 29 27.829 41.783 36.259 1.00 0.00 C ATOM 0 H LEU A 29 29.634 45.145 35.961 1.00 0.00 H new ATOM 0 HA LEU A 29 27.848 43.703 34.171 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.394 45.193 36.796 1.00 0.00 H new ATOM 0 HB3 LEU A 29 26.274 44.085 36.028 1.00 0.00 H new ATOM 0 HG LEU A 29 28.986 43.329 37.170 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.630 42.182 38.934 1.00 0.00 H new ATOM 0 HD12 LEU A 29 27.332 43.936 38.917 1.00 0.00 H new ATOM 0 HD13 LEU A 29 26.146 42.825 38.192 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.260 40.989 36.868 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.782 41.557 36.056 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.374 41.854 35.318 1.00 0.00 H new ATOM 473 N ASN A 30 27.736 46.996 34.517 1.00 0.00 N ATOM 474 CA ASN A 30 27.312 48.269 33.913 1.00 0.00 C ATOM 475 C ASN A 30 28.163 49.464 34.430 1.00 0.00 C ATOM 476 O ASN A 30 28.563 49.509 35.594 1.00 0.00 O ATOM 477 CB ASN A 30 25.799 48.498 34.132 1.00 0.00 C ATOM 478 CG ASN A 30 25.223 49.624 33.270 1.00 0.00 C ATOM 479 OD1 ASN A 30 25.834 50.093 32.316 1.00 0.00 O ATOM 480 ND2 ASN A 30 24.013 50.068 33.556 1.00 0.00 N ATOM 0 H ASN A 30 28.376 47.135 35.299 1.00 0.00 H new ATOM 0 HA ASN A 30 27.486 48.207 32.839 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.264 47.574 33.914 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.622 48.728 35.183 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.590 50.799 32.984 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.502 49.680 34.349 1.00 0.00 H new ATOM 487 N SER A 31 28.460 50.446 33.575 1.00 0.00 N ATOM 488 CA SER A 31 29.350 51.597 33.854 1.00 0.00 C ATOM 489 C SER A 31 28.578 52.848 34.321 1.00 0.00 C ATOM 490 O SER A 31 28.587 53.919 33.716 1.00 0.00 O ATOM 491 CB SER A 31 30.203 51.900 32.623 1.00 0.00 C ATOM 492 OG SER A 31 30.940 50.744 32.274 1.00 0.00 O ATOM 0 H SER A 31 28.077 50.470 32.630 1.00 0.00 H new ATOM 0 HA SER A 31 30.001 51.318 34.683 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.568 52.206 31.792 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.880 52.729 32.829 1.00 0.00 H new ATOM 0 HG SER A 31 31.488 50.932 31.484 1.00 0.00 H new ATOM 498 N SER A 32 27.817 52.663 35.386 1.00 0.00 N ATOM 499 CA SER A 32 26.477 53.237 35.540 1.00 0.00 C ATOM 500 C SER A 32 26.419 54.704 35.951 1.00 0.00 C ATOM 501 O SER A 32 25.545 55.438 35.487 1.00 0.00 O ATOM 502 CB SER A 32 25.781 52.380 36.588 1.00 0.00 C ATOM 503 OG SER A 32 26.008 51.049 36.192 1.00 0.00 O ATOM 0 H SER A 32 28.111 52.102 36.185 1.00 0.00 H new ATOM 0 HA SER A 32 25.997 53.228 34.562 1.00 0.00 H new ATOM 0 HB2 SER A 32 26.186 52.569 37.582 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.714 52.601 36.631 1.00 0.00 H new ATOM 0 HG SER A 32 25.671 50.440 36.882 1.00 0.00 H new ATOM 509 N GLU A 33 27.347 55.134 36.807 1.00 0.00 N ATOM 510 CA GLU A 33 27.477 56.517 37.268 1.00 0.00 C ATOM 511 C GLU A 33 28.708 57.206 36.637 1.00 0.00 C ATOM 512 O GLU A 33 29.208 58.201 37.162 1.00 0.00 O ATOM 513 CB GLU A 33 27.466 56.556 38.809 1.00 0.00 C ATOM 514 CG GLU A 33 26.167 55.949 39.369 1.00 0.00 C ATOM 515 CD GLU A 33 25.943 56.279 40.851 1.00 0.00 C ATOM 516 OE1 GLU A 33 25.772 57.474 41.189 1.00 0.00 O ATOM 517 OE2 GLU A 33 25.883 55.340 41.676 1.00 0.00 O ATOM 0 H GLU A 33 28.048 54.513 37.210 1.00 0.00 H new ATOM 0 HA GLU A 33 26.619 57.097 36.929 1.00 0.00 H new ATOM 0 HB2 GLU A 33 28.324 56.007 39.196 1.00 0.00 H new ATOM 0 HB3 GLU A 33 27.567 57.586 39.151 1.00 0.00 H new ATOM 0 HG2 GLU A 33 25.321 56.316 38.788 1.00 0.00 H new ATOM 0 HG3 GLU A 33 26.194 54.867 39.243 1.00 0.00 H new ATOM 524 N GLY A 34 29.224 56.660 35.523 1.00 0.00 N ATOM 525 CA GLY A 34 30.314 57.204 34.695 1.00 0.00 C ATOM 526 C GLY A 34 31.715 57.021 35.291 1.00 0.00 C ATOM 527 O GLY A 34 32.681 56.799 34.562 1.00 0.00 O ATOM 0 H GLY A 34 28.871 55.776 35.155 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.284 56.725 33.716 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.136 58.268 34.536 1.00 0.00 H new ATOM 531 N ASP A 35 31.804 57.094 36.615 1.00 0.00 N ATOM 532 CA ASP A 35 33.016 57.076 37.442 1.00 0.00 C ATOM 533 C ASP A 35 32.942 56.042 38.588 1.00 0.00 C ATOM 534 O ASP A 35 33.975 55.555 39.051 1.00 0.00 O ATOM 535 CB ASP A 35 33.189 58.500 37.987 1.00 0.00 C ATOM 536 CG ASP A 35 34.470 58.692 38.809 1.00 0.00 C ATOM 537 OD1 ASP A 35 35.560 58.738 38.195 1.00 0.00 O ATOM 538 OD2 ASP A 35 34.368 58.875 40.045 1.00 0.00 O ATOM 0 H ASP A 35 30.964 57.174 37.189 1.00 0.00 H new ATOM 0 HA ASP A 35 33.873 56.771 36.842 1.00 0.00 H new ATOM 0 HB2 ASP A 35 33.194 59.201 37.152 1.00 0.00 H new ATOM 0 HB3 ASP A 35 32.328 58.750 38.608 1.00 0.00 H new ATOM 543 N TRP A 36 31.728 55.623 38.973 1.00 0.00 N ATOM 544 CA TRP A 36 31.495 54.466 39.843 1.00 0.00 C ATOM 545 C TRP A 36 30.625 53.443 39.104 1.00 0.00 C ATOM 546 O TRP A 36 29.524 53.757 38.639 1.00 0.00 O ATOM 547 CB TRP A 36 30.865 54.901 41.176 1.00 0.00 C ATOM 548 CG TRP A 36 31.763 55.685 42.086 1.00 0.00 C ATOM 549 CD1 TRP A 36 32.074 56.990 41.933 1.00 0.00 C ATOM 550 CD2 TRP A 36 32.480 55.250 43.287 1.00 0.00 C ATOM 551 NE1 TRP A 36 32.923 57.394 42.939 1.00 0.00 N ATOM 552 CE2 TRP A 36 33.196 56.368 43.814 1.00 0.00 C ATOM 553 CE3 TRP A 36 32.594 54.032 43.995 1.00 0.00 C ATOM 554 CZ2 TRP A 36 33.966 56.292 44.983 1.00 0.00 C ATOM 555 CZ3 TRP A 36 33.369 53.942 45.170 1.00 0.00 C ATOM 556 CH2 TRP A 36 34.047 55.070 45.667 1.00 0.00 C ATOM 0 H TRP A 36 30.868 56.088 38.683 1.00 0.00 H new ATOM 0 HA TRP A 36 32.448 53.995 40.085 1.00 0.00 H new ATOM 0 HB2 TRP A 36 29.980 55.500 40.962 1.00 0.00 H new ATOM 0 HB3 TRP A 36 30.526 54.011 41.706 1.00 0.00 H new ATOM 0 HD1 TRP A 36 31.710 57.624 41.138 1.00 0.00 H new ATOM 0 HE1 TRP A 36 33.302 58.337 43.025 1.00 0.00 H new ATOM 0 HE3 TRP A 36 32.079 53.156 43.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 34.489 57.162 45.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 33.443 53.000 45.692 1.00 0.00 H new ATOM 0 HH2 TRP A 36 34.629 54.995 46.574 1.00 0.00 H new ATOM 567 N TRP A 37 31.149 52.226 38.948 1.00 0.00 N ATOM 568 CA TRP A 37 30.555 51.176 38.115 1.00 0.00 C ATOM 569 C TRP A 37 30.024 50.005 38.945 1.00 0.00 C ATOM 570 O TRP A 37 30.526 49.720 40.031 1.00 0.00 O ATOM 571 CB TRP A 37 31.605 50.629 37.140 1.00 0.00 C ATOM 572 CG TRP A 37 32.289 51.558 36.186 1.00 0.00 C ATOM 573 CD1 TRP A 37 32.003 52.856 35.932 1.00 0.00 C ATOM 574 CD2 TRP A 37 33.398 51.222 35.303 1.00 0.00 C ATOM 575 NE1 TRP A 37 32.835 53.328 34.938 1.00 0.00 N ATOM 576 CE2 TRP A 37 33.706 52.356 34.499 1.00 0.00 C ATOM 577 CE3 TRP A 37 34.176 50.062 35.109 1.00 0.00 C ATOM 578 CZ2 TRP A 37 34.728 52.340 33.539 1.00 0.00 C ATOM 579 CZ3 TRP A 37 35.208 50.034 34.154 1.00 0.00 C ATOM 580 CH2 TRP A 37 35.482 51.167 33.368 1.00 0.00 C ATOM 0 H TRP A 37 32.014 51.936 39.405 1.00 0.00 H new ATOM 0 HA TRP A 37 29.721 51.632 37.582 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.380 50.145 37.734 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.124 49.850 36.548 1.00 0.00 H new ATOM 0 HD1 TRP A 37 31.240 53.434 36.431 1.00 0.00 H new ATOM 0 HE1 TRP A 37 32.808 54.280 34.573 1.00 0.00 H new ATOM 0 HE3 TRP A 37 33.976 49.182 35.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 34.932 53.216 32.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 35.794 49.136 34.024 1.00 0.00 H new ATOM 0 HH2 TRP A 37 36.272 51.136 32.633 1.00 0.00 H new ATOM 591 N GLU A 38 29.063 49.282 38.378 1.00 0.00 N ATOM 592 CA GLU A 38 28.536 48.030 38.896 1.00 0.00 C ATOM 593 C GLU A 38 29.349 46.859 38.335 1.00 0.00 C ATOM 594 O GLU A 38 29.502 46.694 37.124 1.00 0.00 O ATOM 595 CB GLU A 38 27.058 47.873 38.531 1.00 0.00 C ATOM 596 CG GLU A 38 26.194 48.955 39.184 1.00 0.00 C ATOM 597 CD GLU A 38 24.749 48.840 38.701 1.00 0.00 C ATOM 598 OE1 GLU A 38 23.992 47.999 39.242 1.00 0.00 O ATOM 599 OE2 GLU A 38 24.390 49.588 37.760 1.00 0.00 O ATOM 0 H GLU A 38 28.613 49.567 37.508 1.00 0.00 H new ATOM 0 HA GLU A 38 28.618 48.037 39.983 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.944 47.921 37.448 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.708 46.890 38.845 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.231 48.855 40.269 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.589 49.942 38.941 1.00 0.00 H new ATOM 606 N VAL A 39 29.880 46.072 39.257 1.00 0.00 N ATOM 607 CA VAL A 39 30.849 45.009 39.012 1.00 0.00 C ATOM 608 C VAL A 39 30.574 43.786 39.878 1.00 0.00 C ATOM 609 O VAL A 39 29.777 43.810 40.815 1.00 0.00 O ATOM 610 CB VAL A 39 32.308 45.490 39.220 1.00 0.00 C ATOM 611 CG1 VAL A 39 32.636 46.697 38.327 1.00 0.00 C ATOM 612 CG2 VAL A 39 32.647 45.810 40.688 1.00 0.00 C ATOM 0 H VAL A 39 29.637 46.159 40.244 1.00 0.00 H new ATOM 0 HA VAL A 39 30.733 44.725 37.966 1.00 0.00 H new ATOM 0 HB VAL A 39 32.934 44.648 38.927 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.667 47.007 38.499 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.510 46.420 37.280 1.00 0.00 H new ATOM 0 HG13 VAL A 39 31.964 47.521 38.567 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.683 46.140 40.758 1.00 0.00 H new ATOM 0 HG22 VAL A 39 31.989 46.600 41.049 1.00 0.00 H new ATOM 0 HG23 VAL A 39 32.509 44.916 41.296 1.00 0.00 H new ATOM 622 N ARG A 40 31.325 42.733 39.586 1.00 0.00 N ATOM 623 CA ARG A 40 31.568 41.626 40.485 1.00 0.00 C ATOM 624 C ARG A 40 32.986 41.108 40.314 1.00 0.00 C ATOM 625 O ARG A 40 33.590 41.192 39.247 1.00 0.00 O ATOM 626 CB ARG A 40 30.516 40.527 40.287 1.00 0.00 C ATOM 627 CG ARG A 40 30.534 39.845 38.910 1.00 0.00 C ATOM 628 CD ARG A 40 29.571 38.651 38.839 1.00 0.00 C ATOM 629 NE ARG A 40 28.212 39.003 39.296 1.00 0.00 N ATOM 630 CZ ARG A 40 27.060 38.912 38.641 1.00 0.00 C ATOM 631 NH1 ARG A 40 26.978 38.553 37.376 1.00 0.00 N ATOM 632 NH2 ARG A 40 25.949 39.201 39.283 1.00 0.00 N ATOM 0 H ARG A 40 31.794 42.628 38.687 1.00 0.00 H new ATOM 0 HA ARG A 40 31.473 41.974 41.514 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.660 39.766 41.054 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.528 40.959 40.448 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.265 40.572 38.143 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.546 39.507 38.688 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.524 38.285 37.813 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.959 37.837 39.451 1.00 0.00 H new ATOM 0 HE ARG A 40 28.149 39.367 40.247 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.825 38.329 36.853 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.068 38.499 36.919 1.00 0.00 H new ATOM 0 HH21 ARG A 40 25.985 39.487 40.261 1.00 0.00 H new ATOM 0 HH22 ARG A 40 25.051 39.139 38.802 1.00 0.00 H new ATOM 646 N SER A 41 33.504 40.519 41.370 1.00 0.00 N ATOM 647 CA SER A 41 34.574 39.547 41.297 1.00 0.00 C ATOM 648 C SER A 41 34.221 38.431 40.299 1.00 0.00 C ATOM 649 O SER A 41 33.203 37.750 40.440 1.00 0.00 O ATOM 650 CB SER A 41 34.738 38.959 42.696 1.00 0.00 C ATOM 651 OG SER A 41 35.560 37.826 42.640 1.00 0.00 O ATOM 0 H SER A 41 33.187 40.706 42.321 1.00 0.00 H new ATOM 0 HA SER A 41 35.496 40.017 40.956 1.00 0.00 H new ATOM 0 HB2 SER A 41 35.172 39.702 43.364 1.00 0.00 H new ATOM 0 HB3 SER A 41 33.763 38.693 43.105 1.00 0.00 H new ATOM 0 HG SER A 41 36.499 38.101 42.688 1.00 0.00 H new ATOM 657 N LEU A 42 35.086 38.233 39.302 1.00 0.00 N ATOM 658 CA LEU A 42 35.073 37.021 38.485 1.00 0.00 C ATOM 659 C LEU A 42 35.483 35.803 39.334 1.00 0.00 C ATOM 660 O LEU A 42 34.875 34.737 39.232 1.00 0.00 O ATOM 661 CB LEU A 42 36.001 37.210 37.270 1.00 0.00 C ATOM 662 CG LEU A 42 35.911 36.049 36.261 1.00 0.00 C ATOM 663 CD1 LEU A 42 34.556 36.044 35.536 1.00 0.00 C ATOM 664 CD2 LEU A 42 37.067 36.147 35.255 1.00 0.00 C ATOM 0 H LEU A 42 35.809 38.903 39.041 1.00 0.00 H new ATOM 0 HA LEU A 42 34.064 36.836 38.116 1.00 0.00 H new ATOM 0 HB2 LEU A 42 35.747 38.143 36.767 1.00 0.00 H new ATOM 0 HB3 LEU A 42 37.030 37.305 37.616 1.00 0.00 H new ATOM 0 HG LEU A 42 35.992 35.109 36.806 1.00 0.00 H new ATOM 0 HD11 LEU A 42 34.524 35.213 34.831 1.00 0.00 H new ATOM 0 HD12 LEU A 42 33.754 35.933 36.265 1.00 0.00 H new ATOM 0 HD13 LEU A 42 34.428 36.983 34.997 1.00 0.00 H new ATOM 0 HD21 LEU A 42 37.000 35.324 34.543 1.00 0.00 H new ATOM 0 HD22 LEU A 42 37.005 37.095 34.721 1.00 0.00 H new ATOM 0 HD23 LEU A 42 38.017 36.091 35.786 1.00 0.00 H new ATOM 676 N THR A 43 36.514 35.977 40.169 1.00 0.00 N ATOM 677 CA THR A 43 37.203 34.934 40.947 1.00 0.00 C ATOM 678 C THR A 43 36.316 34.249 41.984 1.00 0.00 C ATOM 679 O THR A 43 36.437 33.034 42.143 1.00 0.00 O ATOM 680 CB THR A 43 38.428 35.571 41.595 1.00 0.00 C ATOM 681 OG1 THR A 43 39.177 36.098 40.535 1.00 0.00 O ATOM 682 CG2 THR A 43 39.353 34.629 42.362 1.00 0.00 C ATOM 0 H THR A 43 36.915 36.901 40.331 1.00 0.00 H new ATOM 0 HA THR A 43 37.493 34.133 40.267 1.00 0.00 H new ATOM 0 HB THR A 43 38.062 36.286 42.332 1.00 0.00 H new ATOM 0 HG1 THR A 43 39.536 36.973 40.792 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.187 35.196 42.777 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.799 34.154 43.171 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.735 33.864 41.686 1.00 0.00 H new ATOM 690 N THR A 44 35.424 34.979 42.669 1.00 0.00 N ATOM 691 CA THR A 44 34.546 34.477 43.742 1.00 0.00 C ATOM 692 C THR A 44 33.068 34.552 43.358 1.00 0.00 C ATOM 693 O THR A 44 32.321 33.619 43.653 1.00 0.00 O ATOM 694 CB THR A 44 34.776 35.260 45.049 1.00 0.00 C ATOM 695 OG1 THR A 44 34.255 36.563 44.934 1.00 0.00 O ATOM 696 CG2 THR A 44 36.251 35.354 45.456 1.00 0.00 C ATOM 0 H THR A 44 35.287 35.973 42.486 1.00 0.00 H new ATOM 0 HA THR A 44 34.805 33.429 43.894 1.00 0.00 H new ATOM 0 HB THR A 44 34.257 34.700 45.827 1.00 0.00 H new ATOM 0 HG1 THR A 44 34.674 37.017 44.173 1.00 0.00 H new ATOM 0 HG21 THR A 44 36.337 35.919 46.384 1.00 0.00 H new ATOM 0 HG22 THR A 44 36.653 34.351 45.602 1.00 0.00 H new ATOM 0 HG23 THR A 44 36.814 35.859 44.671 1.00 0.00 H new ATOM 704 N GLY A 45 32.651 35.636 42.692 1.00 0.00 N ATOM 705 CA GLY A 45 31.255 35.978 42.380 1.00 0.00 C ATOM 706 C GLY A 45 30.654 37.078 43.269 1.00 0.00 C ATOM 707 O GLY A 45 29.504 37.467 43.049 1.00 0.00 O ATOM 0 H GLY A 45 33.308 36.332 42.339 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.196 36.297 41.339 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.645 35.080 42.473 1.00 0.00 H new ATOM 711 N GLU A 46 31.400 37.604 44.248 1.00 0.00 N ATOM 712 CA GLU A 46 30.970 38.735 45.082 1.00 0.00 C ATOM 713 C GLU A 46 30.758 39.992 44.222 1.00 0.00 C ATOM 714 O GLU A 46 31.586 40.303 43.366 1.00 0.00 O ATOM 715 CB GLU A 46 31.986 38.989 46.208 1.00 0.00 C ATOM 716 CG GLU A 46 31.483 39.996 47.252 1.00 0.00 C ATOM 717 CD GLU A 46 30.242 39.479 47.996 1.00 0.00 C ATOM 718 OE1 GLU A 46 30.396 38.671 48.940 1.00 0.00 O ATOM 719 OE2 GLU A 46 29.114 39.870 47.621 1.00 0.00 O ATOM 0 H GLU A 46 32.328 37.254 44.486 1.00 0.00 H new ATOM 0 HA GLU A 46 30.015 38.486 45.544 1.00 0.00 H new ATOM 0 HB2 GLU A 46 32.216 38.045 46.703 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.916 39.357 45.775 1.00 0.00 H new ATOM 0 HG2 GLU A 46 32.277 40.202 47.970 1.00 0.00 H new ATOM 0 HG3 GLU A 46 31.245 40.940 46.761 1.00 0.00 H new ATOM 726 N THR A 47 29.641 40.697 44.437 1.00 0.00 N ATOM 727 CA THR A 47 29.071 41.737 43.560 1.00 0.00 C ATOM 728 C THR A 47 28.921 43.051 44.334 1.00 0.00 C ATOM 729 O THR A 47 28.652 43.042 45.536 1.00 0.00 O ATOM 730 CB THR A 47 27.713 41.242 43.030 1.00 0.00 C ATOM 731 OG1 THR A 47 27.909 40.149 42.161 1.00 0.00 O ATOM 732 CG2 THR A 47 26.909 42.258 42.224 1.00 0.00 C ATOM 0 H THR A 47 29.076 40.552 45.274 1.00 0.00 H new ATOM 0 HA THR A 47 29.734 41.926 42.716 1.00 0.00 H new ATOM 0 HB THR A 47 27.154 41.002 43.935 1.00 0.00 H new ATOM 0 HG1 THR A 47 28.357 39.423 42.644 1.00 0.00 H new ATOM 0 HG21 THR A 47 25.972 41.806 41.900 1.00 0.00 H new ATOM 0 HG22 THR A 47 26.696 43.128 42.845 1.00 0.00 H new ATOM 0 HG23 THR A 47 27.484 42.567 41.351 1.00 0.00 H new ATOM 740 N GLY A 48 29.073 44.181 43.638 1.00 0.00 N ATOM 741 CA GLY A 48 28.964 45.532 44.196 1.00 0.00 C ATOM 742 C GLY A 48 29.448 46.645 43.266 1.00 0.00 C ATOM 743 O GLY A 48 29.402 46.538 42.038 1.00 0.00 O ATOM 0 H GLY A 48 29.282 44.181 42.640 1.00 0.00 H new ATOM 0 HA2 GLY A 48 27.922 45.721 44.456 1.00 0.00 H new ATOM 0 HA3 GLY A 48 29.537 45.576 45.122 1.00 0.00 H new ATOM 747 N TYR A 49 29.896 47.735 43.880 1.00 0.00 N ATOM 748 CA TYR A 49 30.459 48.917 43.223 1.00 0.00 C ATOM 749 C TYR A 49 31.996 48.980 43.315 1.00 0.00 C ATOM 750 O TYR A 49 32.616 48.258 44.093 1.00 0.00 O ATOM 751 CB TYR A 49 29.814 50.171 43.837 1.00 0.00 C ATOM 752 CG TYR A 49 28.575 50.630 43.098 1.00 0.00 C ATOM 753 CD1 TYR A 49 28.709 51.494 41.995 1.00 0.00 C ATOM 754 CD2 TYR A 49 27.298 50.204 43.506 1.00 0.00 C ATOM 755 CE1 TYR A 49 27.569 51.958 41.314 1.00 0.00 C ATOM 756 CE2 TYR A 49 26.152 50.660 42.828 1.00 0.00 C ATOM 757 CZ TYR A 49 26.284 51.547 41.737 1.00 0.00 C ATOM 758 OH TYR A 49 25.172 52.008 41.104 1.00 0.00 O ATOM 0 H TYR A 49 29.877 47.826 44.896 1.00 0.00 H new ATOM 0 HA TYR A 49 30.232 48.859 42.159 1.00 0.00 H new ATOM 0 HB2 TYR A 49 29.554 49.966 44.876 1.00 0.00 H new ATOM 0 HB3 TYR A 49 30.544 50.980 43.845 1.00 0.00 H new ATOM 0 HD1 TYR A 49 29.692 51.802 41.670 1.00 0.00 H new ATOM 0 HD2 TYR A 49 27.197 49.526 44.341 1.00 0.00 H new ATOM 0 HE1 TYR A 49 27.675 52.625 40.472 1.00 0.00 H new ATOM 0 HE2 TYR A 49 25.172 50.332 43.142 1.00 0.00 H new ATOM 0 HH TYR A 49 24.374 51.623 41.523 1.00 0.00 H new ATOM 768 N ILE A 50 32.607 49.906 42.572 1.00 0.00 N ATOM 769 CA ILE A 50 34.042 50.241 42.604 1.00 0.00 C ATOM 770 C ILE A 50 34.269 51.673 42.092 1.00 0.00 C ATOM 771 O ILE A 50 33.444 52.165 41.313 1.00 0.00 O ATOM 772 CB ILE A 50 34.922 49.247 41.790 1.00 0.00 C ATOM 773 CG1 ILE A 50 34.388 48.877 40.385 1.00 0.00 C ATOM 774 CG2 ILE A 50 35.219 47.967 42.589 1.00 0.00 C ATOM 775 CD1 ILE A 50 34.677 49.913 39.289 1.00 0.00 C ATOM 0 H ILE A 50 32.094 50.473 41.897 1.00 0.00 H new ATOM 0 HA ILE A 50 34.352 50.163 43.646 1.00 0.00 H new ATOM 0 HB ILE A 50 35.843 49.803 41.617 1.00 0.00 H new ATOM 0 HG12 ILE A 50 34.823 47.923 40.087 1.00 0.00 H new ATOM 0 HG13 ILE A 50 33.310 48.729 40.450 1.00 0.00 H new ATOM 0 HG21 ILE A 50 35.835 47.298 41.988 1.00 0.00 H new ATOM 0 HG22 ILE A 50 35.750 48.225 43.505 1.00 0.00 H new ATOM 0 HG23 ILE A 50 34.282 47.470 42.841 1.00 0.00 H new ATOM 0 HD11 ILE A 50 34.265 49.565 38.342 1.00 0.00 H new ATOM 0 HD12 ILE A 50 34.218 50.864 39.557 1.00 0.00 H new ATOM 0 HD13 ILE A 50 35.754 50.046 39.189 1.00 0.00 H new ATOM 787 N PRO A 51 35.383 52.323 42.476 1.00 0.00 N ATOM 788 CA PRO A 51 35.936 53.445 41.739 1.00 0.00 C ATOM 789 C PRO A 51 36.594 52.933 40.454 1.00 0.00 C ATOM 790 O PRO A 51 37.634 52.278 40.487 1.00 0.00 O ATOM 791 CB PRO A 51 36.953 54.094 42.678 1.00 0.00 C ATOM 792 CG PRO A 51 37.405 52.947 43.585 1.00 0.00 C ATOM 793 CD PRO A 51 36.199 52.016 43.644 1.00 0.00 C ATOM 0 HA PRO A 51 35.179 54.169 41.439 1.00 0.00 H new ATOM 0 HB2 PRO A 51 37.791 54.520 42.126 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.505 54.904 43.253 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.280 52.439 43.179 1.00 0.00 H new ATOM 0 HG3 PRO A 51 37.678 53.308 44.577 1.00 0.00 H new ATOM 0 HD2 PRO A 51 36.513 50.972 43.634 1.00 0.00 H new ATOM 0 HD3 PRO A 51 35.634 52.170 44.563 1.00 0.00 H new ATOM 801 N SER A 52 36.011 53.285 39.311 1.00 0.00 N ATOM 802 CA SER A 52 36.585 53.107 37.975 1.00 0.00 C ATOM 803 C SER A 52 38.053 53.578 37.860 1.00 0.00 C ATOM 804 O SER A 52 38.899 52.759 37.472 1.00 0.00 O ATOM 805 CB SER A 52 35.689 53.846 36.965 1.00 0.00 C ATOM 806 OG SER A 52 36.321 54.029 35.714 1.00 0.00 O ATOM 0 H SER A 52 35.089 53.720 39.286 1.00 0.00 H new ATOM 0 HA SER A 52 36.614 52.039 37.761 1.00 0.00 H new ATOM 0 HB2 SER A 52 34.766 53.284 36.823 1.00 0.00 H new ATOM 0 HB3 SER A 52 35.411 54.817 37.374 1.00 0.00 H new ATOM 0 HG SER A 52 35.827 53.540 35.023 1.00 0.00 H new ATOM 812 N PRO A 53 38.391 54.845 38.199 1.00 0.00 N ATOM 813 CA PRO A 53 39.721 55.400 37.949 1.00 0.00 C ATOM 814 C PRO A 53 40.818 54.813 38.847 1.00 0.00 C ATOM 815 O PRO A 53 41.987 54.854 38.466 1.00 0.00 O ATOM 816 CB PRO A 53 39.579 56.909 38.159 1.00 0.00 C ATOM 817 CG PRO A 53 38.444 57.014 39.173 1.00 0.00 C ATOM 818 CD PRO A 53 37.517 55.897 38.711 1.00 0.00 C ATOM 0 HA PRO A 53 40.045 55.147 36.940 1.00 0.00 H new ATOM 0 HB2 PRO A 53 40.500 57.351 38.538 1.00 0.00 H new ATOM 0 HB3 PRO A 53 39.337 57.424 37.229 1.00 0.00 H new ATOM 0 HG2 PRO A 53 38.792 56.862 40.195 1.00 0.00 H new ATOM 0 HG3 PRO A 53 37.957 57.989 39.144 1.00 0.00 H new ATOM 0 HD2 PRO A 53 36.904 55.531 39.535 1.00 0.00 H new ATOM 0 HD3 PRO A 53 36.834 56.249 37.938 1.00 0.00 H new ATOM 826 N TYR A 54 40.457 54.195 39.979 1.00 0.00 N ATOM 827 CA TYR A 54 41.428 53.575 40.890 1.00 0.00 C ATOM 828 C TYR A 54 41.549 52.060 40.671 1.00 0.00 C ATOM 829 O TYR A 54 42.596 51.481 40.959 1.00 0.00 O ATOM 830 CB TYR A 54 41.045 53.887 42.349 1.00 0.00 C ATOM 831 CG TYR A 54 40.941 55.358 42.730 1.00 0.00 C ATOM 832 CD1 TYR A 54 41.857 56.307 42.227 1.00 0.00 C ATOM 833 CD2 TYR A 54 39.941 55.778 43.633 1.00 0.00 C ATOM 834 CE1 TYR A 54 41.756 57.660 42.596 1.00 0.00 C ATOM 835 CE2 TYR A 54 39.829 57.133 43.999 1.00 0.00 C ATOM 836 CZ TYR A 54 40.739 58.080 43.479 1.00 0.00 C ATOM 837 OH TYR A 54 40.653 59.394 43.826 1.00 0.00 O ATOM 0 H TYR A 54 39.489 54.111 40.288 1.00 0.00 H new ATOM 0 HA TYR A 54 42.407 54.002 40.673 1.00 0.00 H new ATOM 0 HB2 TYR A 54 40.086 53.413 42.558 1.00 0.00 H new ATOM 0 HB3 TYR A 54 41.781 53.418 43.002 1.00 0.00 H new ATOM 0 HD1 TYR A 54 42.641 55.992 41.554 1.00 0.00 H new ATOM 0 HD2 TYR A 54 39.255 55.053 44.047 1.00 0.00 H new ATOM 0 HE1 TYR A 54 42.459 58.380 42.202 1.00 0.00 H new ATOM 0 HE2 TYR A 54 39.049 57.448 44.676 1.00 0.00 H new ATOM 0 HH TYR A 54 39.900 59.522 44.440 1.00 0.00 H new ATOM 847 N LEU A 55 40.462 51.391 40.270 1.00 0.00 N ATOM 848 CA LEU A 55 40.525 50.034 39.720 1.00 0.00 C ATOM 849 C LEU A 55 41.441 49.975 38.483 1.00 0.00 C ATOM 850 O LEU A 55 42.264 49.068 38.368 1.00 0.00 O ATOM 851 CB LEU A 55 39.093 49.559 39.407 1.00 0.00 C ATOM 852 CG LEU A 55 39.005 48.102 38.913 1.00 0.00 C ATOM 853 CD1 LEU A 55 39.589 47.101 39.919 1.00 0.00 C ATOM 854 CD2 LEU A 55 37.538 47.738 38.664 1.00 0.00 C ATOM 0 H LEU A 55 39.518 51.774 40.318 1.00 0.00 H new ATOM 0 HA LEU A 55 40.965 49.359 40.455 1.00 0.00 H new ATOM 0 HB2 LEU A 55 38.483 49.664 40.304 1.00 0.00 H new ATOM 0 HB3 LEU A 55 38.662 50.214 38.650 1.00 0.00 H new ATOM 0 HG LEU A 55 39.591 48.039 37.996 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.501 46.091 39.520 1.00 0.00 H new ATOM 0 HD12 LEU A 55 40.640 47.332 40.094 1.00 0.00 H new ATOM 0 HD13 LEU A 55 39.042 47.169 40.859 1.00 0.00 H new ATOM 0 HD21 LEU A 55 37.473 46.708 38.314 1.00 0.00 H new ATOM 0 HD22 LEU A 55 36.975 47.843 39.591 1.00 0.00 H new ATOM 0 HD23 LEU A 55 37.121 48.404 37.909 1.00 0.00 H new ATOM 866 N ALA A 56 41.330 50.963 37.587 1.00 0.00 N ATOM 867 CA ALA A 56 42.254 51.232 36.481 1.00 0.00 C ATOM 868 C ALA A 56 43.545 51.976 36.920 1.00 0.00 C ATOM 869 O ALA A 56 43.719 52.177 38.113 1.00 0.00 O ATOM 870 CB ALA A 56 41.485 51.989 35.388 1.00 0.00 C ATOM 0 H ALA A 56 40.557 51.627 37.616 1.00 0.00 H new ATOM 0 HA ALA A 56 42.616 50.281 36.089 1.00 0.00 H new ATOM 0 HB1 ALA A 56 42.153 52.201 34.553 1.00 0.00 H new ATOM 0 HB2 ALA A 56 40.652 51.378 35.040 1.00 0.00 H new ATOM 0 HB3 ALA A 56 41.104 52.926 35.794 1.00 0.00 H new TER 876 ALA A 56