USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 392 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 -121:sc= 0.036 USER MOD Set 1.2: A 43 THR OG1 : rot 177:sc= 0.797 USER MOD Set 1.3: A 44 THR OG1 : rot 160:sc= 0.553 USER MOD Single : A 1 SER N :NH3+ 174:sc= 0.679 (180deg=0.608) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -155:sc= 0.202 USER MOD Single : A 14 THR OG1 : rot -50:sc= 0.87 USER MOD Single : A 19 SER OG : rot -173:sc= 1.21 USER MOD Single : A 21 HIS : no HE2:sc= 0.836 K(o=0.84,f=-2.5!) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= 1.16 (180deg=0.557) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= 1.96 (180deg=1.42) USER MOD Single : A 27 GLN : amide:sc= 1.41 K(o=1.4,f=-7.1!) USER MOD Single : A 30 ASN : amide:sc= 0.743 K(o=0.74,f=-5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 170:sc= 0.257 USER MOD Single : A 52 SER OG : rot -154:sc= 0.179 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 30.159 45.202 30.517 1.00 0.00 N ATOM 2 CA SER A 1 30.260 43.781 30.120 1.00 0.00 C ATOM 3 C SER A 1 31.711 43.274 30.037 1.00 0.00 C ATOM 4 O SER A 1 31.955 42.067 30.150 1.00 0.00 O ATOM 5 CB SER A 1 29.446 43.424 28.862 1.00 0.00 C ATOM 6 OG SER A 1 30.165 43.575 27.656 1.00 0.00 O ATOM 0 H1 SER A 1 29.167 45.510 30.456 1.00 0.00 H new ATOM 0 H2 SER A 1 30.497 45.314 31.494 1.00 0.00 H new ATOM 0 H3 SER A 1 30.741 45.783 29.880 1.00 0.00 H new ATOM 0 HA SER A 1 29.789 43.237 30.939 1.00 0.00 H new ATOM 0 HB2 SER A 1 29.103 42.392 28.943 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.557 44.053 28.825 1.00 0.00 H new ATOM 0 HG SER A 1 29.591 43.331 26.900 1.00 0.00 H new ATOM 12 N THR A 2 32.665 44.203 29.882 1.00 0.00 N ATOM 13 CA THR A 2 34.114 43.992 29.804 1.00 0.00 C ATOM 14 C THR A 2 34.704 43.567 31.144 1.00 0.00 C ATOM 15 O THR A 2 34.182 43.898 32.211 1.00 0.00 O ATOM 16 CB THR A 2 34.805 45.282 29.338 1.00 0.00 C ATOM 17 OG1 THR A 2 34.241 46.382 30.019 1.00 0.00 O ATOM 18 CG2 THR A 2 34.643 45.505 27.835 1.00 0.00 C ATOM 0 H THR A 2 32.425 45.191 29.802 1.00 0.00 H new ATOM 0 HA THR A 2 34.286 43.189 29.088 1.00 0.00 H new ATOM 0 HB THR A 2 35.868 45.187 29.558 1.00 0.00 H new ATOM 0 HG1 THR A 2 34.680 47.208 29.726 1.00 0.00 H new ATOM 0 HG21 THR A 2 35.147 46.428 27.548 1.00 0.00 H new ATOM 0 HG22 THR A 2 35.083 44.668 27.293 1.00 0.00 H new ATOM 0 HG23 THR A 2 33.583 45.578 27.590 1.00 0.00 H new ATOM 26 N LEU A 3 35.820 42.835 31.080 1.00 0.00 N ATOM 27 CA LEU A 3 36.586 42.392 32.245 1.00 0.00 C ATOM 28 C LEU A 3 37.917 43.146 32.408 1.00 0.00 C ATOM 29 O LEU A 3 38.382 43.837 31.500 1.00 0.00 O ATOM 30 CB LEU A 3 36.728 40.851 32.190 1.00 0.00 C ATOM 31 CG LEU A 3 37.939 40.263 31.435 1.00 0.00 C ATOM 32 CD1 LEU A 3 37.842 38.728 31.461 1.00 0.00 C ATOM 33 CD2 LEU A 3 38.065 40.726 29.974 1.00 0.00 C ATOM 0 H LEU A 3 36.224 42.528 30.195 1.00 0.00 H new ATOM 0 HA LEU A 3 36.043 42.646 33.155 1.00 0.00 H new ATOM 0 HB2 LEU A 3 36.762 40.482 33.215 1.00 0.00 H new ATOM 0 HB3 LEU A 3 35.823 40.448 31.736 1.00 0.00 H new ATOM 0 HG LEU A 3 38.827 40.629 31.950 1.00 0.00 H new ATOM 0 HD11 LEU A 3 38.693 38.301 30.930 1.00 0.00 H new ATOM 0 HD12 LEU A 3 37.847 38.381 32.494 1.00 0.00 H new ATOM 0 HD13 LEU A 3 36.917 38.414 30.977 1.00 0.00 H new ATOM 0 HD21 LEU A 3 38.942 40.265 29.520 1.00 0.00 H new ATOM 0 HD22 LEU A 3 37.173 40.431 29.421 1.00 0.00 H new ATOM 0 HD23 LEU A 3 38.169 41.811 29.944 1.00 0.00 H new ATOM 45 N PHE A 4 38.535 42.966 33.575 1.00 0.00 N ATOM 46 CA PHE A 4 39.782 43.603 33.987 1.00 0.00 C ATOM 47 C PHE A 4 40.466 42.856 35.138 1.00 0.00 C ATOM 48 O PHE A 4 39.845 42.056 35.843 1.00 0.00 O ATOM 49 CB PHE A 4 39.526 45.082 34.343 1.00 0.00 C ATOM 50 CG PHE A 4 40.615 46.023 33.869 1.00 0.00 C ATOM 51 CD1 PHE A 4 40.838 46.184 32.488 1.00 0.00 C ATOM 52 CD2 PHE A 4 41.399 46.744 34.789 1.00 0.00 C ATOM 53 CE1 PHE A 4 41.847 47.046 32.029 1.00 0.00 C ATOM 54 CE2 PHE A 4 42.404 47.613 34.328 1.00 0.00 C ATOM 55 CZ PHE A 4 42.631 47.760 32.949 1.00 0.00 C ATOM 0 H PHE A 4 38.161 42.343 34.291 1.00 0.00 H new ATOM 0 HA PHE A 4 40.473 43.561 33.145 1.00 0.00 H new ATOM 0 HB2 PHE A 4 38.576 45.392 33.907 1.00 0.00 H new ATOM 0 HB3 PHE A 4 39.425 45.173 35.424 1.00 0.00 H new ATOM 0 HD1 PHE A 4 40.230 45.642 31.779 1.00 0.00 H new ATOM 0 HD2 PHE A 4 41.229 46.630 35.849 1.00 0.00 H new ATOM 0 HE1 PHE A 4 42.020 47.160 30.969 1.00 0.00 H new ATOM 0 HE2 PHE A 4 43.002 48.168 35.035 1.00 0.00 H new ATOM 0 HZ PHE A 4 43.408 48.422 32.597 1.00 0.00 H new ATOM 65 N GLU A 5 41.766 43.103 35.303 1.00 0.00 N ATOM 66 CA GLU A 5 42.534 42.681 36.475 1.00 0.00 C ATOM 67 C GLU A 5 42.920 43.914 37.306 1.00 0.00 C ATOM 68 O GLU A 5 43.203 44.984 36.765 1.00 0.00 O ATOM 69 CB GLU A 5 43.791 41.895 36.069 1.00 0.00 C ATOM 70 CG GLU A 5 43.466 40.681 35.187 1.00 0.00 C ATOM 71 CD GLU A 5 44.693 39.783 34.979 1.00 0.00 C ATOM 72 OE1 GLU A 5 45.617 40.185 34.234 1.00 0.00 O ATOM 73 OE2 GLU A 5 44.722 38.664 35.544 1.00 0.00 O ATOM 0 H GLU A 5 42.324 43.610 34.615 1.00 0.00 H new ATOM 0 HA GLU A 5 41.911 42.018 37.075 1.00 0.00 H new ATOM 0 HB2 GLU A 5 44.472 42.557 35.534 1.00 0.00 H new ATOM 0 HB3 GLU A 5 44.311 41.559 36.966 1.00 0.00 H new ATOM 0 HG2 GLU A 5 42.665 40.102 35.647 1.00 0.00 H new ATOM 0 HG3 GLU A 5 43.097 41.023 34.220 1.00 0.00 H new ATOM 80 N ALA A 6 42.919 43.775 38.630 1.00 0.00 N ATOM 81 CA ALA A 6 43.226 44.811 39.606 1.00 0.00 C ATOM 82 C ALA A 6 44.656 45.344 39.451 1.00 0.00 C ATOM 83 O ALA A 6 45.628 44.615 39.678 1.00 0.00 O ATOM 84 CB ALA A 6 42.978 44.198 40.989 1.00 0.00 C ATOM 0 H ALA A 6 42.691 42.885 39.073 1.00 0.00 H new ATOM 0 HA ALA A 6 42.588 45.682 39.457 1.00 0.00 H new ATOM 0 HB1 ALA A 6 43.195 44.938 41.759 1.00 0.00 H new ATOM 0 HB2 ALA A 6 41.936 43.887 41.068 1.00 0.00 H new ATOM 0 HB3 ALA A 6 43.626 43.332 41.125 1.00 0.00 H new ATOM 90 N LEU A 7 44.772 46.633 39.106 1.00 0.00 N ATOM 91 CA LEU A 7 46.062 47.315 38.951 1.00 0.00 C ATOM 92 C LEU A 7 46.793 47.465 40.290 1.00 0.00 C ATOM 93 O LEU A 7 48.018 47.353 40.342 1.00 0.00 O ATOM 94 CB LEU A 7 45.859 48.702 38.313 1.00 0.00 C ATOM 95 CG LEU A 7 45.237 48.739 36.904 1.00 0.00 C ATOM 96 CD1 LEU A 7 45.381 50.164 36.349 1.00 0.00 C ATOM 97 CD2 LEU A 7 45.884 47.739 35.934 1.00 0.00 C ATOM 0 H LEU A 7 43.968 47.235 38.926 1.00 0.00 H new ATOM 0 HA LEU A 7 46.679 46.698 38.298 1.00 0.00 H new ATOM 0 HB2 LEU A 7 45.228 49.292 38.978 1.00 0.00 H new ATOM 0 HB3 LEU A 7 46.828 49.200 38.269 1.00 0.00 H new ATOM 0 HG LEU A 7 44.190 48.451 36.993 1.00 0.00 H new ATOM 0 HD11 LEU A 7 44.946 50.211 35.351 1.00 0.00 H new ATOM 0 HD12 LEU A 7 44.862 50.864 37.004 1.00 0.00 H new ATOM 0 HD13 LEU A 7 46.437 50.430 36.298 1.00 0.00 H new ATOM 0 HD21 LEU A 7 45.402 47.814 34.959 1.00 0.00 H new ATOM 0 HD22 LEU A 7 46.945 47.965 35.832 1.00 0.00 H new ATOM 0 HD23 LEU A 7 45.764 46.727 36.321 1.00 0.00 H new ATOM 109 N TYR A 8 46.040 47.699 41.366 1.00 0.00 N ATOM 110 CA TYR A 8 46.536 47.879 42.731 1.00 0.00 C ATOM 111 C TYR A 8 45.439 47.596 43.773 1.00 0.00 C ATOM 112 O TYR A 8 44.241 47.598 43.467 1.00 0.00 O ATOM 113 CB TYR A 8 47.180 49.270 42.896 1.00 0.00 C ATOM 114 CG TYR A 8 46.297 50.472 42.601 1.00 0.00 C ATOM 115 CD1 TYR A 8 46.218 50.986 41.291 1.00 0.00 C ATOM 116 CD2 TYR A 8 45.611 51.122 43.645 1.00 0.00 C ATOM 117 CE1 TYR A 8 45.449 52.133 41.021 1.00 0.00 C ATOM 118 CE2 TYR A 8 44.853 52.280 43.386 1.00 0.00 C ATOM 119 CZ TYR A 8 44.769 52.788 42.069 1.00 0.00 C ATOM 120 OH TYR A 8 44.056 53.917 41.805 1.00 0.00 O ATOM 0 H TYR A 8 45.024 47.771 41.307 1.00 0.00 H new ATOM 0 HA TYR A 8 47.319 47.143 42.915 1.00 0.00 H new ATOM 0 HB2 TYR A 8 47.542 49.358 43.920 1.00 0.00 H new ATOM 0 HB3 TYR A 8 48.052 49.320 42.244 1.00 0.00 H new ATOM 0 HD1 TYR A 8 46.751 50.496 40.489 1.00 0.00 H new ATOM 0 HD2 TYR A 8 45.667 50.730 44.650 1.00 0.00 H new ATOM 0 HE1 TYR A 8 45.379 52.512 40.012 1.00 0.00 H new ATOM 0 HE2 TYR A 8 44.336 52.780 44.192 1.00 0.00 H new ATOM 0 HH TYR A 8 43.646 54.246 42.632 1.00 0.00 H new ATOM 130 N ASP A 9 45.869 47.289 44.997 1.00 0.00 N ATOM 131 CA ASP A 9 45.030 46.841 46.110 1.00 0.00 C ATOM 132 C ASP A 9 44.097 47.954 46.637 1.00 0.00 C ATOM 133 O ASP A 9 44.425 49.142 46.597 1.00 0.00 O ATOM 134 CB ASP A 9 45.933 46.286 47.228 1.00 0.00 C ATOM 135 CG ASP A 9 46.984 45.276 46.731 1.00 0.00 C ATOM 136 OD1 ASP A 9 48.059 45.719 46.262 1.00 0.00 O ATOM 137 OD2 ASP A 9 46.732 44.051 46.803 1.00 0.00 O ATOM 0 H ASP A 9 46.855 47.348 45.251 1.00 0.00 H new ATOM 0 HA ASP A 9 44.372 46.052 45.747 1.00 0.00 H new ATOM 0 HB2 ASP A 9 46.443 47.116 47.717 1.00 0.00 H new ATOM 0 HB3 ASP A 9 45.309 45.806 47.982 1.00 0.00 H new ATOM 142 N TYR A 10 42.924 47.556 47.140 1.00 0.00 N ATOM 143 CA TYR A 10 41.808 48.444 47.498 1.00 0.00 C ATOM 144 C TYR A 10 40.879 47.806 48.552 1.00 0.00 C ATOM 145 O TYR A 10 40.782 46.581 48.636 1.00 0.00 O ATOM 146 CB TYR A 10 41.040 48.799 46.211 1.00 0.00 C ATOM 147 CG TYR A 10 39.928 49.811 46.403 1.00 0.00 C ATOM 148 CD1 TYR A 10 40.238 51.180 46.503 1.00 0.00 C ATOM 149 CD2 TYR A 10 38.592 49.385 46.528 1.00 0.00 C ATOM 150 CE1 TYR A 10 39.219 52.121 46.731 1.00 0.00 C ATOM 151 CE2 TYR A 10 37.569 50.319 46.773 1.00 0.00 C ATOM 152 CZ TYR A 10 37.883 51.694 46.877 1.00 0.00 C ATOM 153 OH TYR A 10 36.913 52.612 47.130 1.00 0.00 O ATOM 0 H TYR A 10 42.716 46.573 47.316 1.00 0.00 H new ATOM 0 HA TYR A 10 42.202 49.352 47.955 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.746 49.188 45.477 1.00 0.00 H new ATOM 0 HB3 TYR A 10 40.616 47.886 45.792 1.00 0.00 H new ATOM 0 HD1 TYR A 10 41.262 51.509 46.404 1.00 0.00 H new ATOM 0 HD2 TYR A 10 38.351 48.336 46.435 1.00 0.00 H new ATOM 0 HE1 TYR A 10 39.459 53.172 46.794 1.00 0.00 H new ATOM 0 HE2 TYR A 10 36.547 49.987 46.881 1.00 0.00 H new ATOM 0 HH TYR A 10 36.164 52.178 47.589 1.00 0.00 H new ATOM 163 N GLU A 11 40.146 48.613 49.329 1.00 0.00 N ATOM 164 CA GLU A 11 39.372 48.154 50.487 1.00 0.00 C ATOM 165 C GLU A 11 38.269 49.162 50.845 1.00 0.00 C ATOM 166 O GLU A 11 38.529 50.356 51.020 1.00 0.00 O ATOM 167 CB GLU A 11 40.319 47.896 51.675 1.00 0.00 C ATOM 168 CG GLU A 11 39.641 47.204 52.863 1.00 0.00 C ATOM 169 CD GLU A 11 39.066 45.834 52.479 1.00 0.00 C ATOM 170 OE1 GLU A 11 39.810 44.828 52.548 1.00 0.00 O ATOM 171 OE2 GLU A 11 37.871 45.778 52.100 1.00 0.00 O ATOM 0 H GLU A 11 40.073 49.618 49.168 1.00 0.00 H new ATOM 0 HA GLU A 11 38.876 47.217 50.236 1.00 0.00 H new ATOM 0 HB2 GLU A 11 41.154 47.282 51.336 1.00 0.00 H new ATOM 0 HB3 GLU A 11 40.736 48.846 52.009 1.00 0.00 H new ATOM 0 HG2 GLU A 11 40.362 47.081 53.671 1.00 0.00 H new ATOM 0 HG3 GLU A 11 38.841 47.839 53.244 1.00 0.00 H new ATOM 178 N ALA A 12 37.037 48.662 50.951 1.00 0.00 N ATOM 179 CA ALA A 12 35.793 49.409 50.795 1.00 0.00 C ATOM 180 C ALA A 12 35.588 50.583 51.778 1.00 0.00 C ATOM 181 O ALA A 12 35.381 50.397 52.980 1.00 0.00 O ATOM 182 CB ALA A 12 34.634 48.405 50.854 1.00 0.00 C ATOM 0 H ALA A 12 36.874 47.677 51.158 1.00 0.00 H new ATOM 0 HA ALA A 12 35.837 49.911 49.829 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.688 48.934 50.740 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.742 47.677 50.050 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.648 47.889 51.814 1.00 0.00 H new ATOM 188 N ARG A 13 35.426 51.774 51.192 1.00 0.00 N ATOM 189 CA ARG A 13 35.372 53.072 51.874 1.00 0.00 C ATOM 190 C ARG A 13 33.980 53.413 52.440 1.00 0.00 C ATOM 191 O ARG A 13 33.899 53.950 53.549 1.00 0.00 O ATOM 192 CB ARG A 13 35.792 54.178 50.886 1.00 0.00 C ATOM 193 CG ARG A 13 37.210 54.091 50.289 1.00 0.00 C ATOM 194 CD ARG A 13 38.354 54.364 51.279 1.00 0.00 C ATOM 195 NE ARG A 13 38.882 53.127 51.870 1.00 0.00 N ATOM 196 CZ ARG A 13 39.876 53.010 52.740 1.00 0.00 C ATOM 197 NH1 ARG A 13 40.477 54.053 53.278 1.00 0.00 N ATOM 198 NH2 ARG A 13 40.280 51.802 53.063 1.00 0.00 N ATOM 0 H ARG A 13 35.324 51.864 50.181 1.00 0.00 H new ATOM 0 HA ARG A 13 36.054 53.010 52.722 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.079 54.183 50.062 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.698 55.138 51.394 1.00 0.00 H new ATOM 0 HG2 ARG A 13 37.348 53.097 49.864 1.00 0.00 H new ATOM 0 HG3 ARG A 13 37.285 54.802 49.466 1.00 0.00 H new ATOM 0 HD2 ARG A 13 39.158 54.892 50.766 1.00 0.00 H new ATOM 0 HD3 ARG A 13 37.997 55.020 52.073 1.00 0.00 H new ATOM 0 HE ARG A 13 38.433 52.259 51.578 1.00 0.00 H new ATOM 0 HH11 ARG A 13 40.181 54.997 53.029 1.00 0.00 H new ATOM 0 HH12 ARG A 13 41.238 53.916 53.943 1.00 0.00 H new ATOM 0 HH21 ARG A 13 39.831 50.986 52.647 1.00 0.00 H new ATOM 0 HH22 ARG A 13 41.042 51.680 53.730 1.00 0.00 H new ATOM 212 N THR A 14 32.893 53.144 51.695 1.00 0.00 N ATOM 213 CA THR A 14 31.492 53.448 52.075 1.00 0.00 C ATOM 214 C THR A 14 30.794 52.236 52.694 1.00 0.00 C ATOM 215 O THR A 14 29.940 52.423 53.554 1.00 0.00 O ATOM 216 CB THR A 14 30.653 53.999 50.899 1.00 0.00 C ATOM 217 OG1 THR A 14 30.125 52.964 50.112 1.00 0.00 O ATOM 218 CG2 THR A 14 31.393 54.968 49.972 1.00 0.00 C ATOM 0 H THR A 14 32.962 52.695 50.782 1.00 0.00 H new ATOM 0 HA THR A 14 31.559 54.235 52.826 1.00 0.00 H new ATOM 0 HB THR A 14 29.861 54.561 51.393 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.841 52.340 49.870 1.00 0.00 H new ATOM 0 HG21 THR A 14 30.721 55.298 49.180 1.00 0.00 H new ATOM 0 HG22 THR A 14 31.732 55.832 50.544 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.253 54.464 49.531 1.00 0.00 H new ATOM 226 N GLU A 15 31.164 51.031 52.235 1.00 0.00 N ATOM 227 CA GLU A 15 30.695 49.672 52.572 1.00 0.00 C ATOM 228 C GLU A 15 29.663 49.136 51.551 1.00 0.00 C ATOM 229 O GLU A 15 29.341 47.948 51.561 1.00 0.00 O ATOM 230 CB GLU A 15 30.207 49.496 54.025 1.00 0.00 C ATOM 231 CG GLU A 15 31.337 49.746 55.040 1.00 0.00 C ATOM 232 CD GLU A 15 30.892 49.606 56.506 1.00 0.00 C ATOM 233 OE1 GLU A 15 29.946 48.843 56.809 1.00 0.00 O ATOM 234 OE2 GLU A 15 31.522 50.246 57.381 1.00 0.00 O ATOM 0 H GLU A 15 31.895 50.977 51.526 1.00 0.00 H new ATOM 0 HA GLU A 15 31.590 49.054 52.500 1.00 0.00 H new ATOM 0 HB2 GLU A 15 29.385 50.185 54.219 1.00 0.00 H new ATOM 0 HB3 GLU A 15 29.815 48.487 54.158 1.00 0.00 H new ATOM 0 HG2 GLU A 15 32.149 49.045 54.847 1.00 0.00 H new ATOM 0 HG3 GLU A 15 31.738 50.748 54.885 1.00 0.00 H new ATOM 241 N ASP A 16 29.181 49.985 50.636 1.00 0.00 N ATOM 242 CA ASP A 16 28.411 49.603 49.439 1.00 0.00 C ATOM 243 C ASP A 16 29.320 49.189 48.256 1.00 0.00 C ATOM 244 O ASP A 16 28.876 48.549 47.302 1.00 0.00 O ATOM 245 CB ASP A 16 27.531 50.802 49.050 1.00 0.00 C ATOM 246 CG ASP A 16 26.389 50.429 48.091 1.00 0.00 C ATOM 247 OD1 ASP A 16 25.509 49.630 48.493 1.00 0.00 O ATOM 248 OD2 ASP A 16 26.336 50.995 46.975 1.00 0.00 O ATOM 0 H ASP A 16 29.319 50.993 50.708 1.00 0.00 H new ATOM 0 HA ASP A 16 27.803 48.729 49.671 1.00 0.00 H new ATOM 0 HB2 ASP A 16 27.109 51.243 49.953 1.00 0.00 H new ATOM 0 HB3 ASP A 16 28.154 51.565 48.584 1.00 0.00 H new ATOM 253 N ASP A 17 30.601 49.557 48.336 1.00 0.00 N ATOM 254 CA ASP A 17 31.674 49.284 47.385 1.00 0.00 C ATOM 255 C ASP A 17 32.419 47.952 47.648 1.00 0.00 C ATOM 256 O ASP A 17 32.224 47.290 48.671 1.00 0.00 O ATOM 257 CB ASP A 17 32.580 50.531 47.278 1.00 0.00 C ATOM 258 CG ASP A 17 33.184 51.100 48.576 1.00 0.00 C ATOM 259 OD1 ASP A 17 32.443 51.313 49.572 1.00 0.00 O ATOM 260 OD2 ASP A 17 34.395 51.424 48.556 1.00 0.00 O ATOM 0 H ASP A 17 30.939 50.097 49.133 1.00 0.00 H new ATOM 0 HA ASP A 17 31.239 49.109 46.401 1.00 0.00 H new ATOM 0 HB2 ASP A 17 33.403 50.289 46.605 1.00 0.00 H new ATOM 0 HB3 ASP A 17 32.002 51.324 46.803 1.00 0.00 H new ATOM 265 N LEU A 18 33.235 47.531 46.675 1.00 0.00 N ATOM 266 CA LEU A 18 33.854 46.208 46.555 1.00 0.00 C ATOM 267 C LEU A 18 35.380 46.297 46.676 1.00 0.00 C ATOM 268 O LEU A 18 35.999 47.274 46.256 1.00 0.00 O ATOM 269 CB LEU A 18 33.456 45.594 45.195 1.00 0.00 C ATOM 270 CG LEU A 18 33.998 44.172 44.927 1.00 0.00 C ATOM 271 CD1 LEU A 18 33.524 43.154 45.976 1.00 0.00 C ATOM 272 CD2 LEU A 18 33.560 43.707 43.533 1.00 0.00 C ATOM 0 H LEU A 18 33.496 48.144 45.903 1.00 0.00 H new ATOM 0 HA LEU A 18 33.499 45.573 47.367 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.368 45.568 45.131 1.00 0.00 H new ATOM 0 HB3 LEU A 18 33.806 46.254 44.401 1.00 0.00 H new ATOM 0 HG LEU A 18 35.085 44.224 44.988 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.933 42.172 45.741 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.867 43.463 46.964 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.435 43.105 45.969 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.944 42.704 43.347 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.471 43.695 43.479 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.953 44.391 42.781 1.00 0.00 H new ATOM 284 N SER A 19 35.987 45.248 47.222 1.00 0.00 N ATOM 285 CA SER A 19 37.403 45.232 47.607 1.00 0.00 C ATOM 286 C SER A 19 38.239 44.208 46.842 1.00 0.00 C ATOM 287 O SER A 19 37.731 43.162 46.430 1.00 0.00 O ATOM 288 CB SER A 19 37.483 44.915 49.088 1.00 0.00 C ATOM 289 OG SER A 19 36.637 45.822 49.747 1.00 0.00 O ATOM 0 H SER A 19 35.506 44.369 47.414 1.00 0.00 H new ATOM 0 HA SER A 19 37.815 46.212 47.366 1.00 0.00 H new ATOM 0 HB2 SER A 19 37.172 43.888 49.280 1.00 0.00 H new ATOM 0 HB3 SER A 19 38.507 45.011 49.448 1.00 0.00 H new ATOM 0 HG SER A 19 36.739 45.719 50.716 1.00 0.00 H new ATOM 295 N PHE A 20 39.537 44.497 46.680 1.00 0.00 N ATOM 296 CA PHE A 20 40.413 43.790 45.750 1.00 0.00 C ATOM 297 C PHE A 20 41.870 43.687 46.225 1.00 0.00 C ATOM 298 O PHE A 20 42.327 44.373 47.138 1.00 0.00 O ATOM 299 CB PHE A 20 40.326 44.484 44.373 1.00 0.00 C ATOM 300 CG PHE A 20 39.057 44.183 43.598 1.00 0.00 C ATOM 301 CD1 PHE A 20 38.781 42.857 43.213 1.00 0.00 C ATOM 302 CD2 PHE A 20 38.163 45.213 43.242 1.00 0.00 C ATOM 303 CE1 PHE A 20 37.619 42.559 42.483 1.00 0.00 C ATOM 304 CE2 PHE A 20 37.003 44.914 42.506 1.00 0.00 C ATOM 305 CZ PHE A 20 36.730 43.588 42.129 1.00 0.00 C ATOM 0 H PHE A 20 40.009 45.237 47.199 1.00 0.00 H new ATOM 0 HA PHE A 20 40.065 42.759 45.685 1.00 0.00 H new ATOM 0 HB2 PHE A 20 40.402 45.562 44.518 1.00 0.00 H new ATOM 0 HB3 PHE A 20 41.184 44.182 43.773 1.00 0.00 H new ATOM 0 HD1 PHE A 20 39.466 42.066 43.480 1.00 0.00 H new ATOM 0 HD2 PHE A 20 38.369 46.232 43.535 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.409 41.540 42.194 1.00 0.00 H new ATOM 0 HE2 PHE A 20 36.321 45.704 42.230 1.00 0.00 H new ATOM 0 HZ PHE A 20 35.836 43.360 41.567 1.00 0.00 H new ATOM 315 N HIS A 21 42.612 42.836 45.524 1.00 0.00 N ATOM 316 CA HIS A 21 44.035 42.563 45.682 1.00 0.00 C ATOM 317 C HIS A 21 44.672 42.602 44.283 1.00 0.00 C ATOM 318 O HIS A 21 44.020 42.232 43.302 1.00 0.00 O ATOM 319 CB HIS A 21 44.175 41.187 46.360 1.00 0.00 C ATOM 320 CG HIS A 21 45.558 40.581 46.345 1.00 0.00 C ATOM 321 ND1 HIS A 21 46.729 41.197 46.706 1.00 0.00 N ATOM 322 CD2 HIS A 21 45.878 39.292 46.015 1.00 0.00 C ATOM 323 CE1 HIS A 21 47.728 40.309 46.595 1.00 0.00 C ATOM 324 NE2 HIS A 21 47.259 39.119 46.182 1.00 0.00 N ATOM 0 H HIS A 21 42.203 42.278 44.775 1.00 0.00 H new ATOM 0 HA HIS A 21 44.544 43.298 46.306 1.00 0.00 H new ATOM 0 HB2 HIS A 21 43.852 41.280 47.397 1.00 0.00 H new ATOM 0 HB3 HIS A 21 43.490 40.493 45.873 1.00 0.00 H new ATOM 0 HD1 HIS A 21 46.824 42.167 47.008 1.00 0.00 H new ATOM 0 HD2 HIS A 21 45.183 38.535 45.682 1.00 0.00 H new ATOM 0 HE1 HIS A 21 48.765 40.521 46.808 1.00 0.00 H new ATOM 332 N LYS A 22 45.909 43.089 44.153 1.00 0.00 N ATOM 333 CA LYS A 22 46.585 43.195 42.858 1.00 0.00 C ATOM 334 C LYS A 22 46.575 41.856 42.079 1.00 0.00 C ATOM 335 O LYS A 22 46.900 40.789 42.604 1.00 0.00 O ATOM 336 CB LYS A 22 47.979 43.842 43.005 1.00 0.00 C ATOM 337 CG LYS A 22 48.980 43.072 43.889 1.00 0.00 C ATOM 338 CD LYS A 22 50.427 43.567 43.713 1.00 0.00 C ATOM 339 CE LYS A 22 50.718 45.008 44.165 1.00 0.00 C ATOM 340 NZ LYS A 22 50.763 45.157 45.639 1.00 0.00 N ATOM 0 H LYS A 22 46.468 43.420 44.940 1.00 0.00 H new ATOM 0 HA LYS A 22 46.012 43.877 42.230 1.00 0.00 H new ATOM 0 HB2 LYS A 22 48.413 43.958 42.012 1.00 0.00 H new ATOM 0 HB3 LYS A 22 47.854 44.843 43.417 1.00 0.00 H new ATOM 0 HG2 LYS A 22 48.689 43.174 44.935 1.00 0.00 H new ATOM 0 HG3 LYS A 22 48.931 42.010 43.647 1.00 0.00 H new ATOM 0 HD2 LYS A 22 51.087 42.897 44.264 1.00 0.00 H new ATOM 0 HD3 LYS A 22 50.692 43.480 42.659 1.00 0.00 H new ATOM 0 HE2 LYS A 22 51.671 45.329 43.744 1.00 0.00 H new ATOM 0 HE3 LYS A 22 49.952 45.671 43.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 51.405 45.936 45.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 49.809 45.366 45.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 51.107 44.274 46.067 1.00 0.00 H new ATOM 354 N GLY A 23 46.148 41.932 40.816 1.00 0.00 N ATOM 355 CA GLY A 23 45.964 40.803 39.895 1.00 0.00 C ATOM 356 C GLY A 23 44.622 40.062 40.003 1.00 0.00 C ATOM 357 O GLY A 23 44.378 39.190 39.170 1.00 0.00 O ATOM 0 H GLY A 23 45.909 42.825 40.385 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.074 41.170 38.874 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.768 40.086 40.064 1.00 0.00 H new ATOM 361 N GLU A 24 43.735 40.389 40.952 1.00 0.00 N ATOM 362 CA GLU A 24 42.393 39.792 41.048 1.00 0.00 C ATOM 363 C GLU A 24 41.509 40.189 39.863 1.00 0.00 C ATOM 364 O GLU A 24 41.578 41.313 39.366 1.00 0.00 O ATOM 365 CB GLU A 24 41.678 40.189 42.349 1.00 0.00 C ATOM 366 CG GLU A 24 42.225 39.477 43.590 1.00 0.00 C ATOM 367 CD GLU A 24 41.876 37.982 43.596 1.00 0.00 C ATOM 368 OE1 GLU A 24 40.704 37.641 43.885 1.00 0.00 O ATOM 369 OE2 GLU A 24 42.776 37.155 43.319 1.00 0.00 O ATOM 0 H GLU A 24 43.927 41.078 41.679 1.00 0.00 H new ATOM 0 HA GLU A 24 42.546 38.713 41.039 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.768 41.266 42.489 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.615 39.968 42.252 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.308 39.597 43.629 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.820 39.947 44.486 1.00 0.00 H new ATOM 376 N LYS A 25 40.666 39.252 39.422 1.00 0.00 N ATOM 377 CA LYS A 25 39.906 39.359 38.176 1.00 0.00 C ATOM 378 C LYS A 25 38.432 39.727 38.425 1.00 0.00 C ATOM 379 O LYS A 25 37.737 39.075 39.210 1.00 0.00 O ATOM 380 CB LYS A 25 40.025 38.045 37.381 1.00 0.00 C ATOM 381 CG LYS A 25 41.467 37.567 37.095 1.00 0.00 C ATOM 382 CD LYS A 25 42.043 36.648 38.190 1.00 0.00 C ATOM 383 CE LYS A 25 43.313 35.900 37.755 1.00 0.00 C ATOM 384 NZ LYS A 25 44.494 36.785 37.606 1.00 0.00 N ATOM 0 H LYS A 25 40.490 38.385 39.929 1.00 0.00 H new ATOM 0 HA LYS A 25 40.333 40.172 37.588 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.503 37.261 37.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 39.507 38.168 36.430 1.00 0.00 H new ATOM 0 HG2 LYS A 25 41.483 37.037 36.143 1.00 0.00 H new ATOM 0 HG3 LYS A 25 42.114 38.437 36.986 1.00 0.00 H new ATOM 0 HD2 LYS A 25 42.267 37.245 39.074 1.00 0.00 H new ATOM 0 HD3 LYS A 25 41.284 35.921 38.480 1.00 0.00 H new ATOM 0 HE2 LYS A 25 43.539 35.125 38.488 1.00 0.00 H new ATOM 0 HE3 LYS A 25 43.123 35.397 36.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 45.363 36.225 37.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 44.482 37.224 36.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 44.466 37.527 38.334 1.00 0.00 H new ATOM 398 N PHE A 26 37.940 40.740 37.712 1.00 0.00 N ATOM 399 CA PHE A 26 36.585 41.280 37.822 1.00 0.00 C ATOM 400 C PHE A 26 36.001 41.675 36.457 1.00 0.00 C ATOM 401 O PHE A 26 36.710 41.772 35.459 1.00 0.00 O ATOM 402 CB PHE A 26 36.589 42.445 38.828 1.00 0.00 C ATOM 403 CG PHE A 26 37.417 43.667 38.459 1.00 0.00 C ATOM 404 CD1 PHE A 26 36.844 44.712 37.707 1.00 0.00 C ATOM 405 CD2 PHE A 26 38.741 43.793 38.927 1.00 0.00 C ATOM 406 CE1 PHE A 26 37.582 45.879 37.441 1.00 0.00 C ATOM 407 CE2 PHE A 26 39.480 44.956 38.652 1.00 0.00 C ATOM 408 CZ PHE A 26 38.899 46.003 37.914 1.00 0.00 C ATOM 0 H PHE A 26 38.499 41.228 37.012 1.00 0.00 H new ATOM 0 HA PHE A 26 35.922 40.501 38.197 1.00 0.00 H new ATOM 0 HB2 PHE A 26 35.559 42.766 38.980 1.00 0.00 H new ATOM 0 HB3 PHE A 26 36.949 42.067 39.785 1.00 0.00 H new ATOM 0 HD1 PHE A 26 35.835 44.616 37.334 1.00 0.00 H new ATOM 0 HD2 PHE A 26 39.188 42.993 39.499 1.00 0.00 H new ATOM 0 HE1 PHE A 26 37.136 46.681 36.872 1.00 0.00 H new ATOM 0 HE2 PHE A 26 40.496 45.046 39.008 1.00 0.00 H new ATOM 0 HZ PHE A 26 39.464 46.901 37.711 1.00 0.00 H new ATOM 418 N GLN A 27 34.690 41.893 36.414 1.00 0.00 N ATOM 419 CA GLN A 27 33.902 42.263 35.240 1.00 0.00 C ATOM 420 C GLN A 27 32.974 43.419 35.618 1.00 0.00 C ATOM 421 O GLN A 27 32.369 43.406 36.687 1.00 0.00 O ATOM 422 CB GLN A 27 33.093 41.031 34.798 1.00 0.00 C ATOM 423 CG GLN A 27 32.358 41.193 33.456 1.00 0.00 C ATOM 424 CD GLN A 27 31.315 40.096 33.195 1.00 0.00 C ATOM 425 OE1 GLN A 27 30.970 39.278 34.043 1.00 0.00 O ATOM 426 NE2 GLN A 27 30.756 40.040 32.005 1.00 0.00 N ATOM 0 H GLN A 27 34.112 41.811 37.250 1.00 0.00 H new ATOM 0 HA GLN A 27 34.541 42.584 34.418 1.00 0.00 H new ATOM 0 HB2 GLN A 27 33.767 40.177 34.727 1.00 0.00 H new ATOM 0 HB3 GLN A 27 32.362 40.797 35.571 1.00 0.00 H new ATOM 0 HG2 GLN A 27 31.865 42.165 33.435 1.00 0.00 H new ATOM 0 HG3 GLN A 27 33.089 41.189 32.647 1.00 0.00 H new ATOM 0 HE21 GLN A 27 31.025 40.708 31.283 1.00 0.00 H new ATOM 0 HE22 GLN A 27 30.053 39.328 31.805 1.00 0.00 H new ATOM 435 N ILE A 28 32.825 44.391 34.718 1.00 0.00 N ATOM 436 CA ILE A 28 31.845 45.472 34.840 1.00 0.00 C ATOM 437 C ILE A 28 30.513 44.984 34.264 1.00 0.00 C ATOM 438 O ILE A 28 30.471 44.476 33.146 1.00 0.00 O ATOM 439 CB ILE A 28 32.317 46.748 34.101 1.00 0.00 C ATOM 440 CG1 ILE A 28 33.778 47.158 34.391 1.00 0.00 C ATOM 441 CG2 ILE A 28 31.358 47.914 34.410 1.00 0.00 C ATOM 442 CD1 ILE A 28 34.140 47.308 35.873 1.00 0.00 C ATOM 0 H ILE A 28 33.390 44.451 33.871 1.00 0.00 H new ATOM 0 HA ILE A 28 31.728 45.733 35.892 1.00 0.00 H new ATOM 0 HB ILE A 28 32.294 46.505 33.039 1.00 0.00 H new ATOM 0 HG12 ILE A 28 34.440 46.415 33.947 1.00 0.00 H new ATOM 0 HG13 ILE A 28 33.978 48.104 33.889 1.00 0.00 H new ATOM 0 HG21 ILE A 28 31.694 48.810 33.888 1.00 0.00 H new ATOM 0 HG22 ILE A 28 30.353 47.656 34.078 1.00 0.00 H new ATOM 0 HG23 ILE A 28 31.348 48.102 35.484 1.00 0.00 H new ATOM 0 HD11 ILE A 28 35.187 47.598 35.964 1.00 0.00 H new ATOM 0 HD12 ILE A 28 33.511 48.074 36.326 1.00 0.00 H new ATOM 0 HD13 ILE A 28 33.980 46.359 36.384 1.00 0.00 H new ATOM 454 N LEU A 29 29.418 45.165 34.993 1.00 0.00 N ATOM 455 CA LEU A 29 28.046 44.873 34.575 1.00 0.00 C ATOM 456 C LEU A 29 27.296 46.144 34.128 1.00 0.00 C ATOM 457 O LEU A 29 26.450 46.068 33.236 1.00 0.00 O ATOM 458 CB LEU A 29 27.323 44.198 35.755 1.00 0.00 C ATOM 459 CG LEU A 29 27.972 42.895 36.277 1.00 0.00 C ATOM 460 CD1 LEU A 29 27.189 42.403 37.503 1.00 0.00 C ATOM 461 CD2 LEU A 29 28.012 41.792 35.208 1.00 0.00 C ATOM 0 H LEU A 29 29.462 45.539 35.941 1.00 0.00 H new ATOM 0 HA LEU A 29 28.067 44.209 33.711 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.266 44.910 36.578 1.00 0.00 H new ATOM 0 HB3 LEU A 29 26.299 43.977 35.453 1.00 0.00 H new ATOM 0 HG LEU A 29 29.004 43.119 36.545 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.640 41.484 37.878 1.00 0.00 H new ATOM 0 HD12 LEU A 29 27.217 43.165 38.282 1.00 0.00 H new ATOM 0 HD13 LEU A 29 26.154 42.210 37.220 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.477 40.898 35.624 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.996 41.558 34.889 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.591 42.136 34.351 1.00 0.00 H new ATOM 473 N ASN A 30 27.630 47.306 34.703 1.00 0.00 N ATOM 474 CA ASN A 30 27.105 48.624 34.323 1.00 0.00 C ATOM 475 C ASN A 30 28.099 49.750 34.646 1.00 0.00 C ATOM 476 O ASN A 30 28.586 49.873 35.765 1.00 0.00 O ATOM 477 CB ASN A 30 25.764 48.906 35.022 1.00 0.00 C ATOM 478 CG ASN A 30 25.090 50.202 34.558 1.00 0.00 C ATOM 479 OD1 ASN A 30 25.435 50.801 33.547 1.00 0.00 O ATOM 480 ND2 ASN A 30 24.117 50.687 35.301 1.00 0.00 N ATOM 0 H ASN A 30 28.297 47.356 35.473 1.00 0.00 H new ATOM 0 HA ASN A 30 26.950 48.602 33.244 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.088 48.070 34.842 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.929 48.957 36.098 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.656 51.556 35.033 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.825 50.193 36.144 1.00 0.00 H new ATOM 487 N SER A 31 28.360 50.606 33.669 1.00 0.00 N ATOM 488 CA SER A 31 29.286 51.740 33.716 1.00 0.00 C ATOM 489 C SER A 31 28.586 53.113 33.598 1.00 0.00 C ATOM 490 O SER A 31 29.224 54.159 33.705 1.00 0.00 O ATOM 491 CB SER A 31 30.231 51.576 32.519 1.00 0.00 C ATOM 492 OG SER A 31 29.471 51.289 31.350 1.00 0.00 O ATOM 0 H SER A 31 27.903 50.526 32.761 1.00 0.00 H new ATOM 0 HA SER A 31 29.795 51.732 34.680 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.812 52.487 32.373 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.941 50.772 32.710 1.00 0.00 H new ATOM 0 HG SER A 31 30.074 51.186 30.585 1.00 0.00 H new ATOM 498 N SER A 32 27.278 53.150 33.348 1.00 0.00 N ATOM 499 CA SER A 32 26.586 54.339 32.829 1.00 0.00 C ATOM 500 C SER A 32 26.084 55.307 33.912 1.00 0.00 C ATOM 501 O SER A 32 25.617 56.400 33.586 1.00 0.00 O ATOM 502 CB SER A 32 25.466 53.900 31.885 1.00 0.00 C ATOM 503 OG SER A 32 26.058 53.254 30.772 1.00 0.00 O ATOM 0 H SER A 32 26.660 52.353 33.499 1.00 0.00 H new ATOM 0 HA SER A 32 27.323 54.923 32.277 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.780 53.225 32.396 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.883 54.761 31.560 1.00 0.00 H new ATOM 0 HG SER A 32 25.357 52.962 30.153 1.00 0.00 H new ATOM 509 N GLU A 33 26.248 54.966 35.197 1.00 0.00 N ATOM 510 CA GLU A 33 26.262 55.954 36.287 1.00 0.00 C ATOM 511 C GLU A 33 27.538 56.837 36.254 1.00 0.00 C ATOM 512 O GLU A 33 27.578 57.892 36.892 1.00 0.00 O ATOM 513 CB GLU A 33 26.106 55.256 37.652 1.00 0.00 C ATOM 514 CG GLU A 33 24.741 54.571 37.833 1.00 0.00 C ATOM 515 CD GLU A 33 24.453 54.235 39.308 1.00 0.00 C ATOM 516 OE1 GLU A 33 24.053 55.154 40.061 1.00 0.00 O ATOM 517 OE2 GLU A 33 24.587 53.056 39.712 1.00 0.00 O ATOM 0 H GLU A 33 26.374 54.004 35.510 1.00 0.00 H new ATOM 0 HA GLU A 33 25.411 56.619 36.139 1.00 0.00 H new ATOM 0 HB2 GLU A 33 26.895 54.513 37.764 1.00 0.00 H new ATOM 0 HB3 GLU A 33 26.244 55.990 38.446 1.00 0.00 H new ATOM 0 HG2 GLU A 33 23.955 55.222 37.450 1.00 0.00 H new ATOM 0 HG3 GLU A 33 24.714 53.656 37.241 1.00 0.00 H new ATOM 524 N GLY A 34 28.569 56.436 35.492 1.00 0.00 N ATOM 525 CA GLY A 34 29.742 57.227 35.087 1.00 0.00 C ATOM 526 C GLY A 34 30.842 57.330 36.147 1.00 0.00 C ATOM 527 O GLY A 34 32.013 57.071 35.868 1.00 0.00 O ATOM 0 H GLY A 34 28.607 55.488 35.118 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.166 56.787 34.185 1.00 0.00 H new ATOM 0 HA3 GLY A 34 29.412 58.233 34.826 1.00 0.00 H new ATOM 531 N ASP A 35 30.458 57.724 37.355 1.00 0.00 N ATOM 532 CA ASP A 35 31.341 57.986 38.495 1.00 0.00 C ATOM 533 C ASP A 35 31.689 56.695 39.263 1.00 0.00 C ATOM 534 O ASP A 35 32.858 56.451 39.569 1.00 0.00 O ATOM 535 CB ASP A 35 30.641 59.025 39.388 1.00 0.00 C ATOM 536 CG ASP A 35 31.549 59.629 40.472 1.00 0.00 C ATOM 537 OD1 ASP A 35 32.681 60.056 40.145 1.00 0.00 O ATOM 538 OD2 ASP A 35 31.092 59.744 41.633 1.00 0.00 O ATOM 0 H ASP A 35 29.476 57.878 37.582 1.00 0.00 H new ATOM 0 HA ASP A 35 32.298 58.378 38.149 1.00 0.00 H new ATOM 0 HB2 ASP A 35 30.257 59.829 38.760 1.00 0.00 H new ATOM 0 HB3 ASP A 35 29.781 58.557 39.868 1.00 0.00 H new ATOM 543 N TRP A 36 30.684 55.840 39.503 1.00 0.00 N ATOM 544 CA TRP A 36 30.837 54.493 40.068 1.00 0.00 C ATOM 545 C TRP A 36 30.142 53.446 39.193 1.00 0.00 C ATOM 546 O TRP A 36 29.048 53.674 38.673 1.00 0.00 O ATOM 547 CB TRP A 36 30.264 54.413 41.488 1.00 0.00 C ATOM 548 CG TRP A 36 30.938 55.250 42.527 1.00 0.00 C ATOM 549 CD1 TRP A 36 30.843 56.591 42.624 1.00 0.00 C ATOM 550 CD2 TRP A 36 31.790 54.832 43.639 1.00 0.00 C ATOM 551 NE1 TRP A 36 31.590 57.039 43.688 1.00 0.00 N ATOM 552 CE2 TRP A 36 32.184 55.998 44.365 1.00 0.00 C ATOM 553 CE3 TRP A 36 32.264 53.591 44.119 1.00 0.00 C ATOM 554 CZ2 TRP A 36 32.997 55.939 45.504 1.00 0.00 C ATOM 555 CZ3 TRP A 36 33.085 53.522 45.261 1.00 0.00 C ATOM 556 CH2 TRP A 36 33.447 54.688 45.955 1.00 0.00 C ATOM 0 H TRP A 36 29.712 56.075 39.303 1.00 0.00 H new ATOM 0 HA TRP A 36 31.906 54.285 40.102 1.00 0.00 H new ATOM 0 HB2 TRP A 36 29.213 54.699 41.448 1.00 0.00 H new ATOM 0 HB3 TRP A 36 30.299 53.373 41.812 1.00 0.00 H new ATOM 0 HD1 TRP A 36 30.265 57.221 41.964 1.00 0.00 H new ATOM 0 HE1 TRP A 36 31.691 58.021 43.944 1.00 0.00 H new ATOM 0 HE3 TRP A 36 31.993 52.682 43.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 33.274 56.842 46.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 33.440 52.562 45.607 1.00 0.00 H new ATOM 0 HH2 TRP A 36 34.071 54.622 46.834 1.00 0.00 H new ATOM 567 N TRP A 37 30.781 52.290 39.040 1.00 0.00 N ATOM 568 CA TRP A 37 30.386 51.204 38.149 1.00 0.00 C ATOM 569 C TRP A 37 29.994 49.945 38.937 1.00 0.00 C ATOM 570 O TRP A 37 30.652 49.581 39.914 1.00 0.00 O ATOM 571 CB TRP A 37 31.561 50.910 37.203 1.00 0.00 C ATOM 572 CG TRP A 37 31.942 51.979 36.217 1.00 0.00 C ATOM 573 CD1 TRP A 37 31.324 53.170 36.039 1.00 0.00 C ATOM 574 CD2 TRP A 37 32.982 51.931 35.188 1.00 0.00 C ATOM 575 NE1 TRP A 37 31.877 53.833 34.970 1.00 0.00 N ATOM 576 CE2 TRP A 37 32.885 53.108 34.387 1.00 0.00 C ATOM 577 CE3 TRP A 37 33.976 50.997 34.823 1.00 0.00 C ATOM 578 CZ2 TRP A 37 33.698 53.337 33.270 1.00 0.00 C ATOM 579 CZ3 TRP A 37 34.804 51.218 33.705 1.00 0.00 C ATOM 580 CH2 TRP A 37 34.664 52.380 32.926 1.00 0.00 C ATOM 0 H TRP A 37 31.631 52.075 39.561 1.00 0.00 H new ATOM 0 HA TRP A 37 29.508 51.504 37.577 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.436 50.688 37.813 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.324 50.005 36.643 1.00 0.00 H new ATOM 0 HD1 TRP A 37 30.515 53.544 36.648 1.00 0.00 H new ATOM 0 HE1 TRP A 37 31.575 54.753 34.649 1.00 0.00 H new ATOM 0 HE3 TRP A 37 34.103 50.099 35.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.583 54.236 32.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 35.555 50.487 33.443 1.00 0.00 H new ATOM 0 HH2 TRP A 37 35.298 52.535 32.066 1.00 0.00 H new ATOM 591 N GLU A 38 28.942 49.265 38.477 1.00 0.00 N ATOM 592 CA GLU A 38 28.504 47.964 38.974 1.00 0.00 C ATOM 593 C GLU A 38 29.442 46.878 38.447 1.00 0.00 C ATOM 594 O GLU A 38 29.634 46.740 37.241 1.00 0.00 O ATOM 595 CB GLU A 38 27.068 47.629 38.539 1.00 0.00 C ATOM 596 CG GLU A 38 26.017 48.585 39.116 1.00 0.00 C ATOM 597 CD GLU A 38 24.597 48.182 38.686 1.00 0.00 C ATOM 598 OE1 GLU A 38 24.080 47.161 39.198 1.00 0.00 O ATOM 599 OE2 GLU A 38 23.993 48.887 37.842 1.00 0.00 O ATOM 0 H GLU A 38 28.353 49.619 37.723 1.00 0.00 H new ATOM 0 HA GLU A 38 28.527 48.006 40.063 1.00 0.00 H new ATOM 0 HB2 GLU A 38 27.011 47.653 37.451 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.831 46.611 38.848 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.083 48.587 40.204 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.225 49.602 38.782 1.00 0.00 H new ATOM 606 N VAL A 39 30.016 46.122 39.370 1.00 0.00 N ATOM 607 CA VAL A 39 31.078 45.137 39.151 1.00 0.00 C ATOM 608 C VAL A 39 30.733 43.823 39.857 1.00 0.00 C ATOM 609 O VAL A 39 30.036 43.820 40.871 1.00 0.00 O ATOM 610 CB VAL A 39 32.437 45.717 39.641 1.00 0.00 C ATOM 611 CG1 VAL A 39 32.383 46.189 41.107 1.00 0.00 C ATOM 612 CG2 VAL A 39 33.647 44.782 39.478 1.00 0.00 C ATOM 0 H VAL A 39 29.741 46.179 40.351 1.00 0.00 H new ATOM 0 HA VAL A 39 31.167 44.922 38.086 1.00 0.00 H new ATOM 0 HB VAL A 39 32.589 46.565 38.974 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.356 46.584 41.398 1.00 0.00 H new ATOM 0 HG12 VAL A 39 31.629 46.969 41.211 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.126 45.348 41.751 1.00 0.00 H new ATOM 0 HG21 VAL A 39 34.543 45.279 39.848 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.479 43.867 40.046 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.778 44.536 38.424 1.00 0.00 H new ATOM 622 N ARG A 40 31.298 42.724 39.359 1.00 0.00 N ATOM 623 CA ARG A 40 31.474 41.475 40.092 1.00 0.00 C ATOM 624 C ARG A 40 32.921 41.006 39.973 1.00 0.00 C ATOM 625 O ARG A 40 33.527 41.049 38.902 1.00 0.00 O ATOM 626 CB ARG A 40 30.476 40.394 39.634 1.00 0.00 C ATOM 627 CG ARG A 40 30.708 39.817 38.226 1.00 0.00 C ATOM 628 CD ARG A 40 29.633 38.774 37.892 1.00 0.00 C ATOM 629 NE ARG A 40 29.784 38.245 36.526 1.00 0.00 N ATOM 630 CZ ARG A 40 29.192 37.176 36.004 1.00 0.00 C ATOM 631 NH1 ARG A 40 28.401 36.386 36.701 1.00 0.00 N ATOM 632 NH2 ARG A 40 29.402 36.900 34.737 1.00 0.00 N ATOM 0 H ARG A 40 31.656 42.679 38.405 1.00 0.00 H new ATOM 0 HA ARG A 40 31.258 41.658 41.145 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.505 39.573 40.351 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.471 40.815 39.672 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.686 40.620 37.489 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.696 39.360 38.171 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.689 37.953 38.607 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.646 39.223 38.000 1.00 0.00 H new ATOM 0 HE ARG A 40 30.415 38.758 35.910 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.221 36.584 37.685 1.00 0.00 H new ATOM 0 HH12 ARG A 40 27.969 35.576 36.256 1.00 0.00 H new ATOM 0 HH21 ARG A 40 30.008 37.501 34.178 1.00 0.00 H new ATOM 0 HH22 ARG A 40 28.959 36.085 34.312 1.00 0.00 H new ATOM 646 N SER A 41 33.483 40.539 41.073 1.00 0.00 N ATOM 647 CA SER A 41 34.653 39.679 41.059 1.00 0.00 C ATOM 648 C SER A 41 34.288 38.280 40.541 1.00 0.00 C ATOM 649 O SER A 41 33.183 37.780 40.766 1.00 0.00 O ATOM 650 CB SER A 41 35.242 39.568 42.460 1.00 0.00 C ATOM 651 OG SER A 41 36.477 38.910 42.311 1.00 0.00 O ATOM 0 H SER A 41 33.137 40.748 42.010 1.00 0.00 H new ATOM 0 HA SER A 41 35.393 40.120 40.392 1.00 0.00 H new ATOM 0 HB2 SER A 41 35.376 40.554 42.906 1.00 0.00 H new ATOM 0 HB3 SER A 41 34.579 39.008 43.119 1.00 0.00 H new ATOM 0 HG SER A 41 36.475 38.086 42.842 1.00 0.00 H new ATOM 657 N LEU A 42 35.230 37.640 39.848 1.00 0.00 N ATOM 658 CA LEU A 42 35.081 36.311 39.253 1.00 0.00 C ATOM 659 C LEU A 42 35.679 35.208 40.141 1.00 0.00 C ATOM 660 O LEU A 42 35.212 34.069 40.119 1.00 0.00 O ATOM 661 CB LEU A 42 35.757 36.329 37.868 1.00 0.00 C ATOM 662 CG LEU A 42 35.304 37.465 36.922 1.00 0.00 C ATOM 663 CD1 LEU A 42 35.915 37.240 35.533 1.00 0.00 C ATOM 664 CD2 LEU A 42 33.776 37.579 36.817 1.00 0.00 C ATOM 0 H LEU A 42 36.150 38.047 39.679 1.00 0.00 H new ATOM 0 HA LEU A 42 34.020 36.080 39.155 1.00 0.00 H new ATOM 0 HB2 LEU A 42 36.835 36.406 38.010 1.00 0.00 H new ATOM 0 HB3 LEU A 42 35.567 35.374 37.378 1.00 0.00 H new ATOM 0 HG LEU A 42 35.658 38.406 37.344 1.00 0.00 H new ATOM 0 HD11 LEU A 42 35.598 38.039 34.862 1.00 0.00 H new ATOM 0 HD12 LEU A 42 37.002 37.240 35.609 1.00 0.00 H new ATOM 0 HD13 LEU A 42 35.579 36.281 35.139 1.00 0.00 H new ATOM 0 HD21 LEU A 42 33.518 38.393 36.140 1.00 0.00 H new ATOM 0 HD22 LEU A 42 33.367 36.644 36.434 1.00 0.00 H new ATOM 0 HD23 LEU A 42 33.358 37.781 37.803 1.00 0.00 H new ATOM 676 N THR A 43 36.696 35.566 40.932 1.00 0.00 N ATOM 677 CA THR A 43 37.456 34.687 41.831 1.00 0.00 C ATOM 678 C THR A 43 36.592 34.184 42.990 1.00 0.00 C ATOM 679 O THR A 43 36.590 32.985 43.273 1.00 0.00 O ATOM 680 CB THR A 43 38.679 35.441 42.345 1.00 0.00 C ATOM 681 OG1 THR A 43 38.196 36.572 43.016 1.00 0.00 O ATOM 682 CG2 THR A 43 39.604 35.913 41.216 1.00 0.00 C ATOM 0 H THR A 43 37.030 36.529 40.965 1.00 0.00 H new ATOM 0 HA THR A 43 37.779 33.807 41.275 1.00 0.00 H new ATOM 0 HB THR A 43 39.262 34.775 42.982 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.947 37.066 43.406 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.456 36.443 41.641 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.958 35.051 40.651 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.056 36.581 40.552 1.00 0.00 H new ATOM 690 N THR A 44 35.809 35.077 43.607 1.00 0.00 N ATOM 691 CA THR A 44 34.954 34.876 44.789 1.00 0.00 C ATOM 692 C THR A 44 33.462 35.097 44.518 1.00 0.00 C ATOM 693 O THR A 44 32.647 34.888 45.415 1.00 0.00 O ATOM 694 CB THR A 44 35.364 35.944 45.811 1.00 0.00 C ATOM 695 OG1 THR A 44 35.264 37.189 45.154 1.00 0.00 O ATOM 696 CG2 THR A 44 36.787 35.800 46.358 1.00 0.00 C ATOM 0 H THR A 44 35.750 36.037 43.267 1.00 0.00 H new ATOM 0 HA THR A 44 35.087 33.846 45.119 1.00 0.00 H new ATOM 0 HB THR A 44 34.706 35.842 46.674 1.00 0.00 H new ATOM 0 HG1 THR A 44 35.196 37.905 45.819 1.00 0.00 H new ATOM 0 HG21 THR A 44 36.985 36.599 47.072 1.00 0.00 H new ATOM 0 HG22 THR A 44 36.890 34.835 46.855 1.00 0.00 H new ATOM 0 HG23 THR A 44 37.501 35.863 45.537 1.00 0.00 H new ATOM 704 N GLY A 45 33.098 35.572 43.320 1.00 0.00 N ATOM 705 CA GLY A 45 31.718 35.907 42.930 1.00 0.00 C ATOM 706 C GLY A 45 31.148 37.207 43.521 1.00 0.00 C ATOM 707 O GLY A 45 29.993 37.536 43.246 1.00 0.00 O ATOM 0 H GLY A 45 33.772 35.739 42.573 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.675 35.976 41.843 1.00 0.00 H new ATOM 0 HA3 GLY A 45 31.068 35.082 43.223 1.00 0.00 H new ATOM 711 N GLU A 46 31.910 37.933 44.346 1.00 0.00 N ATOM 712 CA GLU A 46 31.427 39.104 45.095 1.00 0.00 C ATOM 713 C GLU A 46 31.033 40.257 44.157 1.00 0.00 C ATOM 714 O GLU A 46 31.820 40.644 43.293 1.00 0.00 O ATOM 715 CB GLU A 46 32.491 39.562 46.102 1.00 0.00 C ATOM 716 CG GLU A 46 32.715 38.523 47.209 1.00 0.00 C ATOM 717 CD GLU A 46 33.914 38.894 48.090 1.00 0.00 C ATOM 718 OE1 GLU A 46 35.053 38.854 47.571 1.00 0.00 O ATOM 719 OE2 GLU A 46 33.714 39.191 49.292 1.00 0.00 O ATOM 0 H GLU A 46 32.893 37.723 44.516 1.00 0.00 H new ATOM 0 HA GLU A 46 30.529 38.808 45.638 1.00 0.00 H new ATOM 0 HB2 GLU A 46 33.430 39.745 45.580 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.185 40.508 46.548 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.819 38.446 47.825 1.00 0.00 H new ATOM 0 HG3 GLU A 46 32.879 37.543 46.762 1.00 0.00 H new ATOM 726 N THR A 47 29.821 40.805 44.331 1.00 0.00 N ATOM 727 CA THR A 47 29.228 41.874 43.502 1.00 0.00 C ATOM 728 C THR A 47 29.065 43.143 44.339 1.00 0.00 C ATOM 729 O THR A 47 28.792 43.074 45.538 1.00 0.00 O ATOM 730 CB THR A 47 27.879 41.418 42.919 1.00 0.00 C ATOM 731 OG1 THR A 47 28.097 40.292 42.105 1.00 0.00 O ATOM 732 CG2 THR A 47 27.172 42.436 42.021 1.00 0.00 C ATOM 0 H THR A 47 29.199 40.506 45.082 1.00 0.00 H new ATOM 0 HA THR A 47 29.894 42.092 42.667 1.00 0.00 H new ATOM 0 HB THR A 47 27.248 41.240 43.790 1.00 0.00 H new ATOM 0 HG1 THR A 47 27.244 39.990 41.729 1.00 0.00 H new ATOM 0 HG21 THR A 47 26.232 42.015 41.664 1.00 0.00 H new ATOM 0 HG22 THR A 47 26.970 43.344 42.589 1.00 0.00 H new ATOM 0 HG23 THR A 47 27.810 42.675 41.170 1.00 0.00 H new ATOM 740 N GLY A 48 29.219 44.298 43.693 1.00 0.00 N ATOM 741 CA GLY A 48 29.110 45.630 44.288 1.00 0.00 C ATOM 742 C GLY A 48 29.571 46.731 43.338 1.00 0.00 C ATOM 743 O GLY A 48 29.320 46.670 42.131 1.00 0.00 O ATOM 0 H GLY A 48 29.433 44.333 42.696 1.00 0.00 H new ATOM 0 HA2 GLY A 48 28.075 45.813 44.576 1.00 0.00 H new ATOM 0 HA3 GLY A 48 29.706 45.668 45.200 1.00 0.00 H new ATOM 747 N TYR A 49 30.234 47.745 43.892 1.00 0.00 N ATOM 748 CA TYR A 49 30.670 48.944 43.168 1.00 0.00 C ATOM 749 C TYR A 49 32.178 49.228 43.266 1.00 0.00 C ATOM 750 O TYR A 49 32.823 48.989 44.284 1.00 0.00 O ATOM 751 CB TYR A 49 29.913 50.166 43.698 1.00 0.00 C ATOM 752 CG TYR A 49 28.496 50.298 43.191 1.00 0.00 C ATOM 753 CD1 TYR A 49 27.431 49.725 43.910 1.00 0.00 C ATOM 754 CD2 TYR A 49 28.241 51.044 42.024 1.00 0.00 C ATOM 755 CE1 TYR A 49 26.107 49.927 43.487 1.00 0.00 C ATOM 756 CE2 TYR A 49 26.917 51.262 41.603 1.00 0.00 C ATOM 757 CZ TYR A 49 25.847 50.712 42.345 1.00 0.00 C ATOM 758 OH TYR A 49 24.560 50.947 41.983 1.00 0.00 O ATOM 0 H TYR A 49 30.490 47.759 44.879 1.00 0.00 H new ATOM 0 HA TYR A 49 30.450 48.752 42.118 1.00 0.00 H new ATOM 0 HB2 TYR A 49 29.892 50.120 44.787 1.00 0.00 H new ATOM 0 HB3 TYR A 49 30.467 51.065 43.428 1.00 0.00 H new ATOM 0 HD1 TYR A 49 27.632 49.129 44.788 1.00 0.00 H new ATOM 0 HD2 TYR A 49 29.063 51.449 41.452 1.00 0.00 H new ATOM 0 HE1 TYR A 49 25.290 49.482 44.035 1.00 0.00 H new ATOM 0 HE2 TYR A 49 26.719 51.847 40.717 1.00 0.00 H new ATOM 0 HH TYR A 49 24.538 51.625 41.276 1.00 0.00 H new ATOM 768 N ILE A 50 32.706 49.853 42.218 1.00 0.00 N ATOM 769 CA ILE A 50 34.024 50.506 42.184 1.00 0.00 C ATOM 770 C ILE A 50 33.936 51.920 41.592 1.00 0.00 C ATOM 771 O ILE A 50 33.083 52.147 40.729 1.00 0.00 O ATOM 772 CB ILE A 50 35.065 49.660 41.412 1.00 0.00 C ATOM 773 CG1 ILE A 50 34.543 49.170 40.039 1.00 0.00 C ATOM 774 CG2 ILE A 50 35.569 48.521 42.315 1.00 0.00 C ATOM 775 CD1 ILE A 50 35.606 48.454 39.200 1.00 0.00 C ATOM 0 H ILE A 50 32.212 49.925 41.329 1.00 0.00 H new ATOM 0 HA ILE A 50 34.361 50.589 43.217 1.00 0.00 H new ATOM 0 HB ILE A 50 35.915 50.296 41.164 1.00 0.00 H new ATOM 0 HG12 ILE A 50 33.703 48.495 40.199 1.00 0.00 H new ATOM 0 HG13 ILE A 50 34.163 50.024 39.478 1.00 0.00 H new ATOM 0 HG21 ILE A 50 36.302 47.924 41.773 1.00 0.00 H new ATOM 0 HG22 ILE A 50 36.032 48.942 43.207 1.00 0.00 H new ATOM 0 HG23 ILE A 50 34.730 47.889 42.606 1.00 0.00 H new ATOM 0 HD11 ILE A 50 35.170 48.139 38.252 1.00 0.00 H new ATOM 0 HD12 ILE A 50 36.437 49.133 39.009 1.00 0.00 H new ATOM 0 HD13 ILE A 50 35.969 47.580 39.741 1.00 0.00 H new ATOM 787 N PRO A 51 34.810 52.857 42.012 1.00 0.00 N ATOM 788 CA PRO A 51 34.977 54.131 41.331 1.00 0.00 C ATOM 789 C PRO A 51 35.588 53.863 39.950 1.00 0.00 C ATOM 790 O PRO A 51 36.495 53.048 39.804 1.00 0.00 O ATOM 791 CB PRO A 51 35.876 54.968 42.245 1.00 0.00 C ATOM 792 CG PRO A 51 36.727 53.922 42.964 1.00 0.00 C ATOM 793 CD PRO A 51 35.786 52.725 43.090 1.00 0.00 C ATOM 0 HA PRO A 51 34.046 54.670 41.155 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.492 55.663 41.675 1.00 0.00 H new ATOM 0 HB3 PRO A 51 35.292 55.562 42.948 1.00 0.00 H new ATOM 0 HG2 PRO A 51 37.622 53.671 42.394 1.00 0.00 H new ATOM 0 HG3 PRO A 51 37.059 54.276 43.940 1.00 0.00 H new ATOM 0 HD2 PRO A 51 36.336 51.788 43.005 1.00 0.00 H new ATOM 0 HD3 PRO A 51 35.293 52.718 44.062 1.00 0.00 H new ATOM 801 N SER A 52 35.061 54.507 38.915 1.00 0.00 N ATOM 802 CA SER A 52 35.488 54.317 37.525 1.00 0.00 C ATOM 803 C SER A 52 36.965 54.636 37.210 1.00 0.00 C ATOM 804 O SER A 52 37.540 53.878 36.416 1.00 0.00 O ATOM 805 CB SER A 52 34.574 55.120 36.600 1.00 0.00 C ATOM 806 OG SER A 52 34.805 56.504 36.730 1.00 0.00 O ATOM 0 H SER A 52 34.310 55.190 39.016 1.00 0.00 H new ATOM 0 HA SER A 52 35.404 53.244 37.352 1.00 0.00 H new ATOM 0 HB2 SER A 52 34.741 54.816 35.567 1.00 0.00 H new ATOM 0 HB3 SER A 52 33.532 54.899 36.833 1.00 0.00 H new ATOM 0 HG SER A 52 33.997 56.996 36.475 1.00 0.00 H new ATOM 812 N PRO A 53 37.634 55.672 37.786 1.00 0.00 N ATOM 813 CA PRO A 53 39.018 55.980 37.418 1.00 0.00 C ATOM 814 C PRO A 53 40.018 54.909 37.886 1.00 0.00 C ATOM 815 O PRO A 53 41.168 54.936 37.455 1.00 0.00 O ATOM 816 CB PRO A 53 39.323 57.350 38.030 1.00 0.00 C ATOM 817 CG PRO A 53 38.410 57.394 39.249 1.00 0.00 C ATOM 818 CD PRO A 53 37.162 56.677 38.745 1.00 0.00 C ATOM 0 HA PRO A 53 39.126 55.993 36.333 1.00 0.00 H new ATOM 0 HB2 PRO A 53 40.373 57.442 38.309 1.00 0.00 H new ATOM 0 HB3 PRO A 53 39.106 58.160 37.334 1.00 0.00 H new ATOM 0 HG2 PRO A 53 38.852 56.887 40.107 1.00 0.00 H new ATOM 0 HG3 PRO A 53 38.194 58.416 39.559 1.00 0.00 H new ATOM 0 HD2 PRO A 53 36.622 56.208 39.568 1.00 0.00 H new ATOM 0 HD3 PRO A 53 36.474 57.377 38.270 1.00 0.00 H new