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 97:sc= 1.62 USER MOD Set 1.2: A 44 THR OG1 : rot -60:sc= 0.721 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.136 K(o=1.4,f=-0.73) USER MOD Set 2.2: A 32 SER OG : rot -164:sc= 1.3 USER MOD Single : A 1 SER N :NH3+ -153:sc= 0.454 (180deg=0.0894) USER MOD Single : A 1 SER OG : rot -65:sc= 0.26 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0261 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -161:sc= 0.36 USER MOD Single : A 14 THR OG1 : rot -53:sc= 0.718 USER MOD Single : A 19 SER OG : rot -154:sc= 1.5 USER MOD Single : A 21 HIS : no HE2:sc= 0.211 K(o=0.21,f=-0.77) USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0.897 (180deg=0.878) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 2.04 (180deg=1.59) USER MOD Single : A 27 GLN : amide:sc= 0.144 K(o=0.14,f=-4.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 152:sc= 1.08 USER MOD Single : A 47 THR OG1 : rot 50:sc= 0.445 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 112:sc= 0.871 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 28.968 42.165 30.377 1.00 0.00 N ATOM 2 CA SER A 1 29.279 42.941 29.161 1.00 0.00 C ATOM 3 C SER A 1 30.740 42.745 28.715 1.00 0.00 C ATOM 4 O SER A 1 31.008 42.597 27.518 1.00 0.00 O ATOM 5 CB SER A 1 28.944 44.432 29.357 1.00 0.00 C ATOM 6 OG SER A 1 29.930 45.152 30.074 1.00 0.00 O ATOM 0 H1 SER A 1 27.953 41.940 30.395 1.00 0.00 H new ATOM 0 H2 SER A 1 29.518 41.282 30.376 1.00 0.00 H new ATOM 0 H3 SER A 1 29.214 42.725 31.218 1.00 0.00 H new ATOM 0 HA SER A 1 28.648 42.559 28.358 1.00 0.00 H new ATOM 0 HB2 SER A 1 28.809 44.895 28.380 1.00 0.00 H new ATOM 0 HB3 SER A 1 27.993 44.515 29.883 1.00 0.00 H new ATOM 0 HG SER A 1 29.982 44.811 30.991 1.00 0.00 H new ATOM 12 N THR A 2 31.664 42.701 29.690 1.00 0.00 N ATOM 13 CA THR A 2 33.121 42.580 29.541 1.00 0.00 C ATOM 14 C THR A 2 33.796 42.428 30.907 1.00 0.00 C ATOM 15 O THR A 2 33.175 42.675 31.944 1.00 0.00 O ATOM 16 CB THR A 2 33.688 43.768 28.750 1.00 0.00 C ATOM 17 OG1 THR A 2 35.001 43.431 28.380 1.00 0.00 O ATOM 18 CG2 THR A 2 33.686 45.091 29.527 1.00 0.00 C ATOM 0 H THR A 2 31.391 42.753 30.671 1.00 0.00 H new ATOM 0 HA THR A 2 33.337 41.677 28.970 1.00 0.00 H new ATOM 0 HB THR A 2 33.046 43.940 27.886 1.00 0.00 H new ATOM 0 HG1 THR A 2 35.396 44.168 27.870 1.00 0.00 H new ATOM 0 HG21 THR A 2 34.101 45.881 28.901 1.00 0.00 H new ATOM 0 HG22 THR A 2 32.664 45.348 29.805 1.00 0.00 H new ATOM 0 HG23 THR A 2 34.291 44.985 30.427 1.00 0.00 H new ATOM 26 N LEU A 3 35.064 42.012 30.913 1.00 0.00 N ATOM 27 CA LEU A 3 35.894 41.800 32.102 1.00 0.00 C ATOM 28 C LEU A 3 36.938 42.920 32.292 1.00 0.00 C ATOM 29 O LEU A 3 37.143 43.766 31.417 1.00 0.00 O ATOM 30 CB LEU A 3 36.597 40.428 31.970 1.00 0.00 C ATOM 31 CG LEU A 3 35.715 39.239 31.534 1.00 0.00 C ATOM 32 CD1 LEU A 3 36.580 37.979 31.395 1.00 0.00 C ATOM 33 CD2 LEU A 3 34.569 38.985 32.521 1.00 0.00 C ATOM 0 H LEU A 3 35.564 41.804 30.049 1.00 0.00 H new ATOM 0 HA LEU A 3 35.251 41.818 32.982 1.00 0.00 H new ATOM 0 HB2 LEU A 3 37.411 40.530 31.252 1.00 0.00 H new ATOM 0 HB3 LEU A 3 37.049 40.183 32.931 1.00 0.00 H new ATOM 0 HG LEU A 3 35.268 39.488 30.572 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.955 37.141 31.087 1.00 0.00 H new ATOM 0 HD12 LEU A 3 37.353 38.149 30.646 1.00 0.00 H new ATOM 0 HD13 LEU A 3 37.047 37.751 32.353 1.00 0.00 H new ATOM 0 HD21 LEU A 3 33.973 38.140 32.177 1.00 0.00 H new ATOM 0 HD22 LEU A 3 34.980 38.762 33.506 1.00 0.00 H new ATOM 0 HD23 LEU A 3 33.939 39.872 32.583 1.00 0.00 H new ATOM 45 N PHE A 4 37.689 42.829 33.392 1.00 0.00 N ATOM 46 CA PHE A 4 38.776 43.727 33.785 1.00 0.00 C ATOM 47 C PHE A 4 39.647 43.111 34.896 1.00 0.00 C ATOM 48 O PHE A 4 39.206 42.220 35.623 1.00 0.00 O ATOM 49 CB PHE A 4 38.201 45.091 34.211 1.00 0.00 C ATOM 50 CG PHE A 4 39.186 46.227 34.040 1.00 0.00 C ATOM 51 CD1 PHE A 4 39.489 46.688 32.746 1.00 0.00 C ATOM 52 CD2 PHE A 4 39.828 46.798 35.154 1.00 0.00 C ATOM 53 CE1 PHE A 4 40.430 47.715 32.564 1.00 0.00 C ATOM 54 CE2 PHE A 4 40.767 47.829 34.971 1.00 0.00 C ATOM 55 CZ PHE A 4 41.069 48.288 33.678 1.00 0.00 C ATOM 0 H PHE A 4 37.546 42.082 34.072 1.00 0.00 H new ATOM 0 HA PHE A 4 39.426 43.878 32.923 1.00 0.00 H new ATOM 0 HB2 PHE A 4 37.307 45.301 33.624 1.00 0.00 H new ATOM 0 HB3 PHE A 4 37.892 45.039 35.255 1.00 0.00 H new ATOM 0 HD1 PHE A 4 38.997 46.251 31.890 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.600 46.445 36.149 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.663 48.064 31.569 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.257 48.269 35.827 1.00 0.00 H new ATOM 0 HZ PHE A 4 41.791 49.080 33.540 1.00 0.00 H new ATOM 65 N GLU A 5 40.891 43.571 35.027 1.00 0.00 N ATOM 66 CA GLU A 5 41.801 43.208 36.118 1.00 0.00 C ATOM 67 C GLU A 5 42.259 44.476 36.853 1.00 0.00 C ATOM 68 O GLU A 5 42.566 45.488 36.225 1.00 0.00 O ATOM 69 CB GLU A 5 42.980 42.407 35.547 1.00 0.00 C ATOM 70 CG GLU A 5 43.923 41.887 36.636 1.00 0.00 C ATOM 71 CD GLU A 5 44.904 40.852 36.071 1.00 0.00 C ATOM 72 OE1 GLU A 5 44.494 39.682 35.879 1.00 0.00 O ATOM 73 OE2 GLU A 5 46.084 41.197 35.836 1.00 0.00 O ATOM 0 H GLU A 5 41.306 44.223 34.362 1.00 0.00 H new ATOM 0 HA GLU A 5 41.292 42.577 36.847 1.00 0.00 H new ATOM 0 HB2 GLU A 5 42.597 41.565 34.971 1.00 0.00 H new ATOM 0 HB3 GLU A 5 43.541 43.036 34.856 1.00 0.00 H new ATOM 0 HG2 GLU A 5 44.478 42.720 37.069 1.00 0.00 H new ATOM 0 HG3 GLU A 5 43.341 41.439 37.441 1.00 0.00 H new ATOM 80 N ALA A 6 42.216 44.455 38.186 1.00 0.00 N ATOM 81 CA ALA A 6 42.613 45.537 39.073 1.00 0.00 C ATOM 82 C ALA A 6 44.102 45.864 38.899 1.00 0.00 C ATOM 83 O ALA A 6 44.970 45.022 39.146 1.00 0.00 O ATOM 84 CB ALA A 6 42.289 45.115 40.514 1.00 0.00 C ATOM 0 H ALA A 6 41.885 43.637 38.698 1.00 0.00 H new ATOM 0 HA ALA A 6 42.064 46.447 38.830 1.00 0.00 H new ATOM 0 HB1 ALA A 6 42.578 45.911 41.200 1.00 0.00 H new ATOM 0 HB2 ALA A 6 41.219 44.927 40.606 1.00 0.00 H new ATOM 0 HB3 ALA A 6 42.839 44.207 40.760 1.00 0.00 H new ATOM 90 N LEU A 7 44.392 47.098 38.491 1.00 0.00 N ATOM 91 CA LEU A 7 45.741 47.603 38.238 1.00 0.00 C ATOM 92 C LEU A 7 46.394 48.227 39.486 1.00 0.00 C ATOM 93 O LEU A 7 47.552 48.643 39.425 1.00 0.00 O ATOM 94 CB LEU A 7 45.679 48.587 37.048 1.00 0.00 C ATOM 95 CG LEU A 7 45.118 47.999 35.732 1.00 0.00 C ATOM 96 CD1 LEU A 7 45.201 49.053 34.617 1.00 0.00 C ATOM 97 CD2 LEU A 7 45.865 46.730 35.286 1.00 0.00 C ATOM 0 H LEU A 7 43.670 47.798 38.322 1.00 0.00 H new ATOM 0 HA LEU A 7 46.389 46.765 37.982 1.00 0.00 H new ATOM 0 HB2 LEU A 7 45.066 49.441 37.336 1.00 0.00 H new ATOM 0 HB3 LEU A 7 46.683 48.966 36.858 1.00 0.00 H new ATOM 0 HG LEU A 7 44.081 47.722 35.921 1.00 0.00 H new ATOM 0 HD11 LEU A 7 44.805 48.635 33.691 1.00 0.00 H new ATOM 0 HD12 LEU A 7 44.616 49.928 34.900 1.00 0.00 H new ATOM 0 HD13 LEU A 7 46.241 49.344 34.468 1.00 0.00 H new ATOM 0 HD21 LEU A 7 45.430 46.359 34.358 1.00 0.00 H new ATOM 0 HD22 LEU A 7 46.917 46.965 35.126 1.00 0.00 H new ATOM 0 HD23 LEU A 7 45.777 45.966 36.058 1.00 0.00 H new ATOM 109 N TYR A 8 45.684 48.276 40.621 1.00 0.00 N ATOM 110 CA TYR A 8 46.132 48.890 41.878 1.00 0.00 C ATOM 111 C TYR A 8 45.378 48.329 43.110 1.00 0.00 C ATOM 112 O TYR A 8 44.416 47.574 42.960 1.00 0.00 O ATOM 113 CB TYR A 8 45.995 50.416 41.741 1.00 0.00 C ATOM 114 CG TYR A 8 46.662 51.249 42.817 1.00 0.00 C ATOM 115 CD1 TYR A 8 47.996 50.997 43.198 1.00 0.00 C ATOM 116 CD2 TYR A 8 45.956 52.312 43.410 1.00 0.00 C ATOM 117 CE1 TYR A 8 48.612 51.791 44.183 1.00 0.00 C ATOM 118 CE2 TYR A 8 46.569 53.115 44.389 1.00 0.00 C ATOM 119 CZ TYR A 8 47.901 52.854 44.781 1.00 0.00 C ATOM 120 OH TYR A 8 48.511 53.627 45.719 1.00 0.00 O ATOM 0 H TYR A 8 44.749 47.875 40.692 1.00 0.00 H new ATOM 0 HA TYR A 8 47.178 48.638 42.056 1.00 0.00 H new ATOM 0 HB2 TYR A 8 46.406 50.711 40.776 1.00 0.00 H new ATOM 0 HB3 TYR A 8 44.934 50.664 41.725 1.00 0.00 H new ATOM 0 HD1 TYR A 8 48.546 50.193 42.733 1.00 0.00 H new ATOM 0 HD2 TYR A 8 44.938 52.513 43.112 1.00 0.00 H new ATOM 0 HE1 TYR A 8 49.630 51.587 44.482 1.00 0.00 H new ATOM 0 HE2 TYR A 8 46.022 53.930 44.840 1.00 0.00 H new ATOM 0 HH TYR A 8 47.887 54.315 46.032 1.00 0.00 H new ATOM 130 N ASP A 9 45.833 48.657 44.324 1.00 0.00 N ATOM 131 CA ASP A 9 45.241 48.239 45.606 1.00 0.00 C ATOM 132 C ASP A 9 44.211 49.255 46.145 1.00 0.00 C ATOM 133 O ASP A 9 44.342 50.455 45.917 1.00 0.00 O ATOM 134 CB ASP A 9 46.361 48.056 46.642 1.00 0.00 C ATOM 135 CG ASP A 9 47.322 46.913 46.293 1.00 0.00 C ATOM 136 OD1 ASP A 9 47.000 45.757 46.655 1.00 0.00 O ATOM 137 OD2 ASP A 9 48.386 47.182 45.682 1.00 0.00 O ATOM 0 H ASP A 9 46.657 49.245 44.449 1.00 0.00 H new ATOM 0 HA ASP A 9 44.713 47.302 45.432 1.00 0.00 H new ATOM 0 HB2 ASP A 9 46.926 48.985 46.726 1.00 0.00 H new ATOM 0 HB3 ASP A 9 45.917 47.864 47.619 1.00 0.00 H new ATOM 142 N TYR A 10 43.213 48.783 46.902 1.00 0.00 N ATOM 143 CA TYR A 10 42.057 49.554 47.393 1.00 0.00 C ATOM 144 C TYR A 10 41.369 48.883 48.607 1.00 0.00 C ATOM 145 O TYR A 10 41.570 47.698 48.879 1.00 0.00 O ATOM 146 CB TYR A 10 41.080 49.732 46.216 1.00 0.00 C ATOM 147 CG TYR A 10 39.824 50.538 46.489 1.00 0.00 C ATOM 148 CD1 TYR A 10 39.901 51.933 46.661 1.00 0.00 C ATOM 149 CD2 TYR A 10 38.574 49.894 46.568 1.00 0.00 C ATOM 150 CE1 TYR A 10 38.735 52.683 46.898 1.00 0.00 C ATOM 151 CE2 TYR A 10 37.404 50.636 46.811 1.00 0.00 C ATOM 152 CZ TYR A 10 37.483 52.036 46.976 1.00 0.00 C ATOM 153 OH TYR A 10 36.363 52.770 47.205 1.00 0.00 O ATOM 0 H TYR A 10 43.185 47.809 47.204 1.00 0.00 H new ATOM 0 HA TYR A 10 42.397 50.525 47.755 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.618 50.208 45.396 1.00 0.00 H new ATOM 0 HB3 TYR A 10 40.781 48.743 45.869 1.00 0.00 H new ATOM 0 HD1 TYR A 10 40.859 52.429 46.611 1.00 0.00 H new ATOM 0 HD2 TYR A 10 38.513 48.823 46.441 1.00 0.00 H new ATOM 0 HE1 TYR A 10 38.798 53.754 47.020 1.00 0.00 H new ATOM 0 HE2 TYR A 10 36.448 50.136 46.871 1.00 0.00 H new ATOM 0 HH TYR A 10 35.646 52.183 47.524 1.00 0.00 H new ATOM 163 N GLU A 11 40.493 49.618 49.303 1.00 0.00 N ATOM 164 CA GLU A 11 39.740 49.154 50.474 1.00 0.00 C ATOM 165 C GLU A 11 38.407 49.910 50.567 1.00 0.00 C ATOM 166 O GLU A 11 38.383 51.138 50.655 1.00 0.00 O ATOM 167 CB GLU A 11 40.578 49.341 51.753 1.00 0.00 C ATOM 168 CG GLU A 11 39.914 48.757 53.006 1.00 0.00 C ATOM 169 CD GLU A 11 39.762 47.230 52.927 1.00 0.00 C ATOM 170 OE1 GLU A 11 38.751 46.755 52.354 1.00 0.00 O ATOM 171 OE2 GLU A 11 40.652 46.514 53.445 1.00 0.00 O ATOM 0 H GLU A 11 40.282 50.585 49.058 1.00 0.00 H new ATOM 0 HA GLU A 11 39.524 48.091 50.368 1.00 0.00 H new ATOM 0 HB2 GLU A 11 41.551 48.870 51.613 1.00 0.00 H new ATOM 0 HB3 GLU A 11 40.758 50.405 51.908 1.00 0.00 H new ATOM 0 HG2 GLU A 11 40.507 49.016 53.883 1.00 0.00 H new ATOM 0 HG3 GLU A 11 38.932 49.211 53.140 1.00 0.00 H new ATOM 178 N ALA A 12 37.298 49.171 50.549 1.00 0.00 N ATOM 179 CA ALA A 12 35.947 49.681 50.346 1.00 0.00 C ATOM 180 C ALA A 12 35.493 50.728 51.385 1.00 0.00 C ATOM 181 O ALA A 12 35.473 50.477 52.594 1.00 0.00 O ATOM 182 CB ALA A 12 34.990 48.485 50.283 1.00 0.00 C ATOM 0 H ALA A 12 37.320 48.160 50.681 1.00 0.00 H new ATOM 0 HA ALA A 12 35.937 50.232 49.405 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.971 48.842 50.131 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.274 47.835 49.455 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.044 47.927 51.218 1.00 0.00 H new ATOM 188 N ARG A 13 34.912 51.808 50.858 1.00 0.00 N ATOM 189 CA ARG A 13 34.719 53.091 51.543 1.00 0.00 C ATOM 190 C ARG A 13 33.287 53.328 52.047 1.00 0.00 C ATOM 191 O ARG A 13 33.125 53.895 53.131 1.00 0.00 O ATOM 192 CB ARG A 13 35.118 54.231 50.583 1.00 0.00 C ATOM 193 CG ARG A 13 36.592 54.272 50.134 1.00 0.00 C ATOM 194 CD ARG A 13 37.587 54.682 51.229 1.00 0.00 C ATOM 195 NE ARG A 13 37.874 53.556 52.127 1.00 0.00 N ATOM 196 CZ ARG A 13 37.941 53.545 53.451 1.00 0.00 C ATOM 197 NH1 ARG A 13 37.902 54.651 54.168 1.00 0.00 N ATOM 198 NH2 ARG A 13 38.041 52.385 54.067 1.00 0.00 N ATOM 0 H ARG A 13 34.548 51.814 49.905 1.00 0.00 H new ATOM 0 HA ARG A 13 35.351 53.069 52.431 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.493 54.161 49.693 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.882 55.180 51.065 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.871 53.287 49.760 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.684 54.968 49.300 1.00 0.00 H new ATOM 0 HD2 ARG A 13 38.512 55.032 50.772 1.00 0.00 H new ATOM 0 HD3 ARG A 13 37.180 55.515 51.802 1.00 0.00 H new ATOM 0 HE ARG A 13 38.045 52.660 51.670 1.00 0.00 H new ATOM 0 HH11 ARG A 13 37.818 55.556 53.705 1.00 0.00 H new ATOM 0 HH12 ARG A 13 37.956 54.601 55.185 1.00 0.00 H new ATOM 0 HH21 ARG A 13 38.065 51.521 53.526 1.00 0.00 H new ATOM 0 HH22 ARG A 13 38.094 52.351 55.085 1.00 0.00 H new ATOM 212 N THR A 14 32.254 52.922 51.295 1.00 0.00 N ATOM 213 CA THR A 14 30.826 53.031 51.669 1.00 0.00 C ATOM 214 C THR A 14 30.342 51.785 52.411 1.00 0.00 C ATOM 215 O THR A 14 29.402 51.896 53.195 1.00 0.00 O ATOM 216 CB THR A 14 29.909 53.330 50.463 1.00 0.00 C ATOM 217 OG1 THR A 14 29.518 52.150 49.807 1.00 0.00 O ATOM 218 CG2 THR A 14 30.525 54.268 49.418 1.00 0.00 C ATOM 0 H THR A 14 32.388 52.494 50.379 1.00 0.00 H new ATOM 0 HA THR A 14 30.759 53.885 52.343 1.00 0.00 H new ATOM 0 HB THR A 14 29.049 53.835 50.903 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.312 51.621 49.583 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.815 54.425 48.606 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.762 55.225 49.883 1.00 0.00 H new ATOM 0 HG23 THR A 14 31.437 53.822 49.021 1.00 0.00 H new ATOM 226 N GLU A 15 30.980 50.634 52.145 1.00 0.00 N ATOM 227 CA GLU A 15 30.807 49.280 52.711 1.00 0.00 C ATOM 228 C GLU A 15 29.980 48.378 51.761 1.00 0.00 C ATOM 229 O GLU A 15 30.060 47.152 51.832 1.00 0.00 O ATOM 230 CB GLU A 15 30.220 49.307 54.135 1.00 0.00 C ATOM 231 CG GLU A 15 30.568 48.082 54.983 1.00 0.00 C ATOM 232 CD GLU A 15 29.902 48.188 56.363 1.00 0.00 C ATOM 233 OE1 GLU A 15 30.423 48.921 57.236 1.00 0.00 O ATOM 234 OE2 GLU A 15 28.856 47.534 56.584 1.00 0.00 O ATOM 0 H GLU A 15 31.720 50.627 51.443 1.00 0.00 H new ATOM 0 HA GLU A 15 31.801 48.842 52.801 1.00 0.00 H new ATOM 0 HB2 GLU A 15 30.577 50.201 54.646 1.00 0.00 H new ATOM 0 HB3 GLU A 15 29.135 49.391 54.067 1.00 0.00 H new ATOM 0 HG2 GLU A 15 30.235 47.175 54.479 1.00 0.00 H new ATOM 0 HG3 GLU A 15 31.649 48.005 55.097 1.00 0.00 H new ATOM 241 N ASP A 16 29.214 48.989 50.850 1.00 0.00 N ATOM 242 CA ASP A 16 28.436 48.342 49.778 1.00 0.00 C ATOM 243 C ASP A 16 29.219 48.241 48.444 1.00 0.00 C ATOM 244 O ASP A 16 28.814 47.540 47.514 1.00 0.00 O ATOM 245 CB ASP A 16 27.144 49.157 49.614 1.00 0.00 C ATOM 246 CG ASP A 16 26.062 48.465 48.768 1.00 0.00 C ATOM 247 OD1 ASP A 16 25.748 47.281 49.036 1.00 0.00 O ATOM 248 OD2 ASP A 16 25.468 49.143 47.897 1.00 0.00 O ATOM 0 H ASP A 16 29.112 50.004 50.837 1.00 0.00 H new ATOM 0 HA ASP A 16 28.217 47.310 50.052 1.00 0.00 H new ATOM 0 HB2 ASP A 16 26.735 49.370 50.602 1.00 0.00 H new ATOM 0 HB3 ASP A 16 27.389 50.116 49.156 1.00 0.00 H new ATOM 253 N ASP A 17 30.361 48.928 48.369 1.00 0.00 N ATOM 254 CA ASP A 17 31.427 48.754 47.384 1.00 0.00 C ATOM 255 C ASP A 17 32.406 47.624 47.777 1.00 0.00 C ATOM 256 O ASP A 17 32.239 46.948 48.797 1.00 0.00 O ATOM 257 CB ASP A 17 32.117 50.111 47.125 1.00 0.00 C ATOM 258 CG ASP A 17 32.777 50.776 48.344 1.00 0.00 C ATOM 259 OD1 ASP A 17 32.104 50.911 49.397 1.00 0.00 O ATOM 260 OD2 ASP A 17 33.938 51.231 48.215 1.00 0.00 O ATOM 0 H ASP A 17 30.578 49.667 49.038 1.00 0.00 H new ATOM 0 HA ASP A 17 30.992 48.423 46.441 1.00 0.00 H new ATOM 0 HB2 ASP A 17 32.878 49.968 46.358 1.00 0.00 H new ATOM 0 HB3 ASP A 17 31.378 50.800 46.716 1.00 0.00 H new ATOM 265 N LEU A 18 33.410 47.383 46.928 1.00 0.00 N ATOM 266 CA LEU A 18 34.219 46.162 46.919 1.00 0.00 C ATOM 267 C LEU A 18 35.713 46.462 47.017 1.00 0.00 C ATOM 268 O LEU A 18 36.207 47.459 46.492 1.00 0.00 O ATOM 269 CB LEU A 18 33.934 45.374 45.631 1.00 0.00 C ATOM 270 CG LEU A 18 32.472 44.911 45.462 1.00 0.00 C ATOM 271 CD1 LEU A 18 32.298 44.344 44.049 1.00 0.00 C ATOM 272 CD2 LEU A 18 32.078 43.856 46.505 1.00 0.00 C ATOM 0 H LEU A 18 33.689 48.050 46.209 1.00 0.00 H new ATOM 0 HA LEU A 18 33.945 45.573 47.794 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.205 45.994 44.776 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.582 44.498 45.608 1.00 0.00 H new ATOM 0 HG LEU A 18 31.817 45.769 45.613 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.269 44.012 43.914 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.529 45.117 43.316 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.973 43.499 43.910 1.00 0.00 H new ATOM 0 HD21 LEU A 18 31.041 43.559 46.348 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.724 42.984 46.403 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.188 44.274 47.505 1.00 0.00 H new ATOM 284 N SER A 19 36.437 45.561 47.668 1.00 0.00 N ATOM 285 CA SER A 19 37.866 45.716 47.954 1.00 0.00 C ATOM 286 C SER A 19 38.725 44.781 47.113 1.00 0.00 C ATOM 287 O SER A 19 38.315 43.659 46.798 1.00 0.00 O ATOM 288 CB SER A 19 38.133 45.421 49.422 1.00 0.00 C ATOM 289 OG SER A 19 37.216 46.162 50.184 1.00 0.00 O ATOM 0 H SER A 19 36.046 44.687 48.020 1.00 0.00 H new ATOM 0 HA SER A 19 38.131 46.744 47.709 1.00 0.00 H new ATOM 0 HB2 SER A 19 38.023 44.355 49.623 1.00 0.00 H new ATOM 0 HB3 SER A 19 39.155 45.692 49.686 1.00 0.00 H new ATOM 0 HG SER A 19 37.589 46.326 51.075 1.00 0.00 H new ATOM 295 N PHE A 20 39.932 45.235 46.766 1.00 0.00 N ATOM 296 CA PHE A 20 40.766 44.542 45.797 1.00 0.00 C ATOM 297 C PHE A 20 42.261 44.835 45.950 1.00 0.00 C ATOM 298 O PHE A 20 42.687 45.850 46.500 1.00 0.00 O ATOM 299 CB PHE A 20 40.237 44.826 44.380 1.00 0.00 C ATOM 300 CG PHE A 20 40.080 46.288 43.987 1.00 0.00 C ATOM 301 CD1 PHE A 20 41.190 47.015 43.523 1.00 0.00 C ATOM 302 CD2 PHE A 20 38.815 46.910 44.038 1.00 0.00 C ATOM 303 CE1 PHE A 20 41.039 48.348 43.100 1.00 0.00 C ATOM 304 CE2 PHE A 20 38.663 48.241 43.612 1.00 0.00 C ATOM 305 CZ PHE A 20 39.774 48.962 43.145 1.00 0.00 C ATOM 0 H PHE A 20 40.350 46.084 47.147 1.00 0.00 H new ATOM 0 HA PHE A 20 40.692 43.472 45.991 1.00 0.00 H new ATOM 0 HB2 PHE A 20 40.910 44.352 43.665 1.00 0.00 H new ATOM 0 HB3 PHE A 20 39.267 44.340 44.276 1.00 0.00 H new ATOM 0 HD1 PHE A 20 42.163 46.548 43.491 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.960 46.362 44.406 1.00 0.00 H new ATOM 0 HE1 PHE A 20 41.895 48.900 42.741 1.00 0.00 H new ATOM 0 HE2 PHE A 20 37.691 48.710 43.644 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.658 49.986 42.821 1.00 0.00 H new ATOM 315 N HIS A 21 43.048 43.903 45.424 1.00 0.00 N ATOM 316 CA HIS A 21 44.496 43.996 45.306 1.00 0.00 C ATOM 317 C HIS A 21 44.879 43.863 43.828 1.00 0.00 C ATOM 318 O HIS A 21 44.137 43.267 43.036 1.00 0.00 O ATOM 319 CB HIS A 21 45.148 42.905 46.167 1.00 0.00 C ATOM 320 CG HIS A 21 44.807 43.040 47.629 1.00 0.00 C ATOM 321 ND1 HIS A 21 45.221 44.053 48.455 1.00 0.00 N ATOM 322 CD2 HIS A 21 43.986 42.230 48.368 1.00 0.00 C ATOM 323 CE1 HIS A 21 44.663 43.863 49.661 1.00 0.00 C ATOM 324 NE2 HIS A 21 43.903 42.754 49.664 1.00 0.00 N ATOM 0 H HIS A 21 42.678 43.027 45.054 1.00 0.00 H new ATOM 0 HA HIS A 21 44.854 44.960 45.667 1.00 0.00 H new ATOM 0 HB2 HIS A 21 44.826 41.926 45.812 1.00 0.00 H new ATOM 0 HB3 HIS A 21 46.230 42.949 46.044 1.00 0.00 H new ATOM 0 HD1 HIS A 21 45.845 44.818 48.198 1.00 0.00 H new ATOM 0 HD2 HIS A 21 43.488 41.340 48.012 1.00 0.00 H new ATOM 0 HE1 HIS A 21 44.805 44.512 50.512 1.00 0.00 H new ATOM 332 N LYS A 22 46.004 44.459 43.430 1.00 0.00 N ATOM 333 CA LYS A 22 46.417 44.417 42.028 1.00 0.00 C ATOM 334 C LYS A 22 46.613 42.965 41.535 1.00 0.00 C ATOM 335 O LYS A 22 47.352 42.179 42.133 1.00 0.00 O ATOM 336 CB LYS A 22 47.608 45.355 41.765 1.00 0.00 C ATOM 337 CG LYS A 22 48.818 45.194 42.699 1.00 0.00 C ATOM 338 CD LYS A 22 49.971 46.073 42.191 1.00 0.00 C ATOM 339 CE LYS A 22 51.112 46.209 43.209 1.00 0.00 C ATOM 340 NZ LYS A 22 50.874 47.296 44.193 1.00 0.00 N ATOM 0 H LYS A 22 46.636 44.968 44.048 1.00 0.00 H new ATOM 0 HA LYS A 22 45.607 44.811 41.414 1.00 0.00 H new ATOM 0 HB2 LYS A 22 47.944 45.202 40.739 1.00 0.00 H new ATOM 0 HB3 LYS A 22 47.256 46.384 41.835 1.00 0.00 H new ATOM 0 HG2 LYS A 22 48.548 45.480 43.716 1.00 0.00 H new ATOM 0 HG3 LYS A 22 49.129 44.150 42.733 1.00 0.00 H new ATOM 0 HD2 LYS A 22 50.364 45.649 41.267 1.00 0.00 H new ATOM 0 HD3 LYS A 22 49.586 47.064 41.949 1.00 0.00 H new ATOM 0 HE2 LYS A 22 51.235 45.265 43.739 1.00 0.00 H new ATOM 0 HE3 LYS A 22 52.045 46.401 42.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 51.631 47.290 44.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 50.868 48.213 43.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 49.957 47.147 44.660 1.00 0.00 H new ATOM 354 N GLY A 23 45.897 42.607 40.464 1.00 0.00 N ATOM 355 CA GLY A 23 45.758 41.253 39.913 1.00 0.00 C ATOM 356 C GLY A 23 44.396 40.582 40.160 1.00 0.00 C ATOM 357 O GLY A 23 44.115 39.584 39.498 1.00 0.00 O ATOM 0 H GLY A 23 45.368 43.294 39.927 1.00 0.00 H new ATOM 0 HA2 GLY A 23 45.934 41.296 38.838 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.538 40.623 40.339 1.00 0.00 H new ATOM 361 N GLU A 24 43.526 41.125 41.022 1.00 0.00 N ATOM 362 CA GLU A 24 42.151 40.630 41.202 1.00 0.00 C ATOM 363 C GLU A 24 41.283 40.957 39.978 1.00 0.00 C ATOM 364 O GLU A 24 41.344 42.052 39.418 1.00 0.00 O ATOM 365 CB GLU A 24 41.524 41.181 42.499 1.00 0.00 C ATOM 366 CG GLU A 24 40.009 40.944 42.705 1.00 0.00 C ATOM 367 CD GLU A 24 39.506 39.482 42.738 1.00 0.00 C ATOM 368 OE1 GLU A 24 40.221 38.563 42.270 1.00 0.00 O ATOM 369 OE2 GLU A 24 38.354 39.260 43.187 1.00 0.00 O ATOM 0 H GLU A 24 43.755 41.922 41.616 1.00 0.00 H new ATOM 0 HA GLU A 24 42.196 39.545 41.296 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.053 40.741 43.344 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.706 42.255 42.533 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.720 41.419 43.643 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.477 41.463 41.908 1.00 0.00 H new ATOM 376 N LYS A 25 40.458 39.998 39.562 1.00 0.00 N ATOM 377 CA LYS A 25 39.640 40.079 38.353 1.00 0.00 C ATOM 378 C LYS A 25 38.180 40.463 38.655 1.00 0.00 C ATOM 379 O LYS A 25 37.534 39.892 39.538 1.00 0.00 O ATOM 380 CB LYS A 25 39.695 38.747 37.584 1.00 0.00 C ATOM 381 CG LYS A 25 41.100 38.286 37.150 1.00 0.00 C ATOM 382 CD LYS A 25 41.744 37.325 38.165 1.00 0.00 C ATOM 383 CE LYS A 25 42.996 36.614 37.628 1.00 0.00 C ATOM 384 NZ LYS A 25 44.186 37.493 37.564 1.00 0.00 N ATOM 0 H LYS A 25 40.337 39.121 40.069 1.00 0.00 H new ATOM 0 HA LYS A 25 40.058 40.873 37.734 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.254 37.970 38.208 1.00 0.00 H new ATOM 0 HB3 LYS A 25 39.070 38.835 36.695 1.00 0.00 H new ATOM 0 HG2 LYS A 25 41.034 37.794 36.180 1.00 0.00 H new ATOM 0 HG3 LYS A 25 41.742 39.158 37.022 1.00 0.00 H new ATOM 0 HD2 LYS A 25 42.010 37.883 39.063 1.00 0.00 H new ATOM 0 HD3 LYS A 25 41.009 36.576 38.461 1.00 0.00 H new ATOM 0 HE2 LYS A 25 43.220 35.757 38.263 1.00 0.00 H new ATOM 0 HE3 LYS A 25 42.786 36.226 36.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 45.047 36.910 37.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 44.142 38.074 36.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 44.205 38.112 38.399 1.00 0.00 H new ATOM 398 N PHE A 26 37.640 41.392 37.865 1.00 0.00 N ATOM 399 CA PHE A 26 36.261 41.875 37.916 1.00 0.00 C ATOM 400 C PHE A 26 35.518 41.652 36.584 1.00 0.00 C ATOM 401 O PHE A 26 36.093 41.725 35.500 1.00 0.00 O ATOM 402 CB PHE A 26 36.261 43.369 38.289 1.00 0.00 C ATOM 403 CG PHE A 26 36.495 43.650 39.763 1.00 0.00 C ATOM 404 CD1 PHE A 26 37.792 43.591 40.306 1.00 0.00 C ATOM 405 CD2 PHE A 26 35.407 43.978 40.595 1.00 0.00 C ATOM 406 CE1 PHE A 26 37.998 43.853 41.670 1.00 0.00 C ATOM 407 CE2 PHE A 26 35.614 44.238 41.961 1.00 0.00 C ATOM 408 CZ PHE A 26 36.907 44.168 42.501 1.00 0.00 C ATOM 0 H PHE A 26 38.182 41.852 37.134 1.00 0.00 H new ATOM 0 HA PHE A 26 35.728 41.303 38.675 1.00 0.00 H new ATOM 0 HB2 PHE A 26 37.032 43.875 37.709 1.00 0.00 H new ATOM 0 HB3 PHE A 26 35.305 43.804 37.997 1.00 0.00 H new ATOM 0 HD1 PHE A 26 38.631 43.344 39.672 1.00 0.00 H new ATOM 0 HD2 PHE A 26 34.410 44.030 40.182 1.00 0.00 H new ATOM 0 HE1 PHE A 26 38.995 43.813 42.082 1.00 0.00 H new ATOM 0 HE2 PHE A 26 34.777 44.492 42.595 1.00 0.00 H new ATOM 0 HZ PHE A 26 37.065 44.356 43.553 1.00 0.00 H new ATOM 418 N GLN A 27 34.205 41.470 36.679 1.00 0.00 N ATOM 419 CA GLN A 27 33.232 41.448 35.589 1.00 0.00 C ATOM 420 C GLN A 27 32.409 42.742 35.659 1.00 0.00 C ATOM 421 O GLN A 27 31.961 43.120 36.740 1.00 0.00 O ATOM 422 CB GLN A 27 32.342 40.209 35.800 1.00 0.00 C ATOM 423 CG GLN A 27 31.246 40.005 34.741 1.00 0.00 C ATOM 424 CD GLN A 27 30.391 38.772 35.056 1.00 0.00 C ATOM 425 OE1 GLN A 27 29.333 38.848 35.670 1.00 0.00 O ATOM 426 NE2 GLN A 27 30.823 37.582 34.685 1.00 0.00 N ATOM 0 H GLN A 27 33.759 41.323 37.585 1.00 0.00 H new ATOM 0 HA GLN A 27 33.705 41.392 34.609 1.00 0.00 H new ATOM 0 HB2 GLN A 27 32.977 39.323 35.818 1.00 0.00 H new ATOM 0 HB3 GLN A 27 31.870 40.283 36.780 1.00 0.00 H new ATOM 0 HG2 GLN A 27 30.610 40.889 34.697 1.00 0.00 H new ATOM 0 HG3 GLN A 27 31.703 39.892 33.758 1.00 0.00 H new ATOM 0 HE21 GLN A 27 31.701 37.495 34.173 1.00 0.00 H new ATOM 0 HE22 GLN A 27 30.279 36.749 34.910 1.00 0.00 H new ATOM 435 N ILE A 28 32.173 43.405 34.525 1.00 0.00 N ATOM 436 CA ILE A 28 31.378 44.634 34.421 1.00 0.00 C ATOM 437 C ILE A 28 29.953 44.297 33.967 1.00 0.00 C ATOM 438 O ILE A 28 29.729 43.819 32.845 1.00 0.00 O ATOM 439 CB ILE A 28 32.027 45.641 33.442 1.00 0.00 C ATOM 440 CG1 ILE A 28 33.532 45.902 33.686 1.00 0.00 C ATOM 441 CG2 ILE A 28 31.236 46.965 33.449 1.00 0.00 C ATOM 442 CD1 ILE A 28 33.909 46.328 35.110 1.00 0.00 C ATOM 0 H ILE A 28 32.540 43.093 33.626 1.00 0.00 H new ATOM 0 HA ILE A 28 31.342 45.100 35.406 1.00 0.00 H new ATOM 0 HB ILE A 28 31.977 45.175 32.458 1.00 0.00 H new ATOM 0 HG12 ILE A 28 34.084 44.995 33.439 1.00 0.00 H new ATOM 0 HG13 ILE A 28 33.865 46.676 32.994 1.00 0.00 H new ATOM 0 HG21 ILE A 28 31.699 47.669 32.757 1.00 0.00 H new ATOM 0 HG22 ILE A 28 30.208 46.776 33.141 1.00 0.00 H new ATOM 0 HG23 ILE A 28 31.242 47.387 34.454 1.00 0.00 H new ATOM 0 HD11 ILE A 28 34.986 46.484 35.170 1.00 0.00 H new ATOM 0 HD12 ILE A 28 33.393 47.255 35.361 1.00 0.00 H new ATOM 0 HD13 ILE A 28 33.616 45.548 35.813 1.00 0.00 H new ATOM 454 N LEU A 29 28.991 44.612 34.834 1.00 0.00 N ATOM 455 CA LEU A 29 27.556 44.465 34.617 1.00 0.00 C ATOM 456 C LEU A 29 26.961 45.724 33.954 1.00 0.00 C ATOM 457 O LEU A 29 26.052 45.590 33.137 1.00 0.00 O ATOM 458 CB LEU A 29 26.867 44.159 35.969 1.00 0.00 C ATOM 459 CG LEU A 29 27.539 43.085 36.859 1.00 0.00 C ATOM 460 CD1 LEU A 29 26.707 42.868 38.131 1.00 0.00 C ATOM 461 CD2 LEU A 29 27.729 41.741 36.141 1.00 0.00 C ATOM 0 H LEU A 29 29.205 44.997 35.754 1.00 0.00 H new ATOM 0 HA LEU A 29 27.380 43.635 33.933 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.807 45.086 36.539 1.00 0.00 H new ATOM 0 HB3 LEU A 29 25.844 43.843 35.767 1.00 0.00 H new ATOM 0 HG LEU A 29 28.531 43.461 37.108 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.185 42.111 38.753 1.00 0.00 H new ATOM 0 HD12 LEU A 29 26.639 43.804 38.685 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.706 42.534 37.858 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.205 41.031 36.818 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.758 41.353 35.832 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.359 41.883 35.263 1.00 0.00 H new ATOM 473 N ASN A 30 27.511 46.915 34.250 1.00 0.00 N ATOM 474 CA ASN A 30 27.228 48.204 33.593 1.00 0.00 C ATOM 475 C ASN A 30 28.234 49.325 33.987 1.00 0.00 C ATOM 476 O ASN A 30 28.767 49.355 35.097 1.00 0.00 O ATOM 477 CB ASN A 30 25.765 48.641 33.834 1.00 0.00 C ATOM 478 CG ASN A 30 25.352 49.826 32.960 1.00 0.00 C ATOM 479 OD1 ASN A 30 25.837 50.010 31.849 1.00 0.00 O ATOM 480 ND2 ASN A 30 24.443 50.664 33.426 1.00 0.00 N ATOM 0 H ASN A 30 28.202 47.009 34.994 1.00 0.00 H new ATOM 0 HA ASN A 30 27.364 48.043 32.523 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.101 47.799 33.635 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.638 48.907 34.883 1.00 0.00 H new ATOM 0 HD21 ASN A 30 24.147 51.461 32.862 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.037 50.514 34.350 1.00 0.00 H new ATOM 487 N SER A 31 28.478 50.269 33.072 1.00 0.00 N ATOM 488 CA SER A 31 29.482 51.357 33.145 1.00 0.00 C ATOM 489 C SER A 31 28.871 52.709 33.580 1.00 0.00 C ATOM 490 O SER A 31 28.932 53.733 32.902 1.00 0.00 O ATOM 491 CB SER A 31 30.180 51.489 31.794 1.00 0.00 C ATOM 492 OG SER A 31 30.784 50.254 31.460 1.00 0.00 O ATOM 0 H SER A 31 27.949 50.303 32.200 1.00 0.00 H new ATOM 0 HA SER A 31 30.207 51.090 33.914 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.461 51.775 31.026 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.933 52.276 31.835 1.00 0.00 H new ATOM 0 HG SER A 31 31.232 50.333 30.592 1.00 0.00 H new ATOM 498 N SER A 32 28.191 52.665 34.711 1.00 0.00 N ATOM 499 CA SER A 32 26.901 53.321 34.934 1.00 0.00 C ATOM 500 C SER A 32 26.960 54.811 35.266 1.00 0.00 C ATOM 501 O SER A 32 26.202 55.605 34.707 1.00 0.00 O ATOM 502 CB SER A 32 26.258 52.566 36.098 1.00 0.00 C ATOM 503 OG SER A 32 26.528 51.193 35.915 1.00 0.00 O ATOM 0 H SER A 32 28.526 52.157 35.530 1.00 0.00 H new ATOM 0 HA SER A 32 26.338 53.283 34.002 1.00 0.00 H new ATOM 0 HB2 SER A 32 26.662 52.913 37.049 1.00 0.00 H new ATOM 0 HB3 SER A 32 25.183 52.745 36.124 1.00 0.00 H new ATOM 0 HG SER A 32 25.933 50.664 36.486 1.00 0.00 H new ATOM 509 N GLU A 33 27.855 55.180 36.182 1.00 0.00 N ATOM 510 CA GLU A 33 28.087 56.549 36.646 1.00 0.00 C ATOM 511 C GLU A 33 29.467 57.064 36.177 1.00 0.00 C ATOM 512 O GLU A 33 29.888 58.157 36.561 1.00 0.00 O ATOM 513 CB GLU A 33 27.919 56.594 38.180 1.00 0.00 C ATOM 514 CG GLU A 33 26.498 56.198 38.617 1.00 0.00 C ATOM 515 CD GLU A 33 26.337 56.221 40.142 1.00 0.00 C ATOM 516 OE1 GLU A 33 26.075 57.310 40.706 1.00 0.00 O ATOM 517 OE2 GLU A 33 26.436 55.147 40.779 1.00 0.00 O ATOM 0 H GLU A 33 28.465 54.504 36.641 1.00 0.00 H new ATOM 0 HA GLU A 33 27.351 57.223 36.207 1.00 0.00 H new ATOM 0 HB2 GLU A 33 28.641 55.922 38.643 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.142 57.599 38.540 1.00 0.00 H new ATOM 0 HG2 GLU A 33 25.777 56.880 38.166 1.00 0.00 H new ATOM 0 HG3 GLU A 33 26.269 55.200 38.244 1.00 0.00 H new ATOM 524 N GLY A 34 30.177 56.282 35.343 1.00 0.00 N ATOM 525 CA GLY A 34 31.449 56.620 34.686 1.00 0.00 C ATOM 526 C GLY A 34 32.658 56.517 35.616 1.00 0.00 C ATOM 527 O GLY A 34 33.606 55.784 35.342 1.00 0.00 O ATOM 0 H GLY A 34 29.859 55.345 35.097 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.597 55.956 33.834 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.388 57.635 34.292 1.00 0.00 H new ATOM 531 N ASP A 35 32.596 57.251 36.723 1.00 0.00 N ATOM 532 CA ASP A 35 33.552 57.245 37.832 1.00 0.00 C ATOM 533 C ASP A 35 33.303 56.073 38.803 1.00 0.00 C ATOM 534 O ASP A 35 34.235 55.625 39.465 1.00 0.00 O ATOM 535 CB ASP A 35 33.447 58.598 38.552 1.00 0.00 C ATOM 536 CG ASP A 35 34.665 58.906 39.436 1.00 0.00 C ATOM 537 OD1 ASP A 35 35.761 59.125 38.871 1.00 0.00 O ATOM 538 OD2 ASP A 35 34.505 58.998 40.675 1.00 0.00 O ATOM 0 H ASP A 35 31.831 57.907 36.882 1.00 0.00 H new ATOM 0 HA ASP A 35 34.560 57.102 37.443 1.00 0.00 H new ATOM 0 HB2 ASP A 35 33.334 59.389 37.811 1.00 0.00 H new ATOM 0 HB3 ASP A 35 32.547 58.607 39.167 1.00 0.00 H new ATOM 543 N TRP A 36 32.072 55.539 38.836 1.00 0.00 N ATOM 544 CA TRP A 36 31.684 54.321 39.560 1.00 0.00 C ATOM 545 C TRP A 36 30.817 53.398 38.688 1.00 0.00 C ATOM 546 O TRP A 36 29.932 53.863 37.961 1.00 0.00 O ATOM 547 CB TRP A 36 30.901 54.670 40.837 1.00 0.00 C ATOM 548 CG TRP A 36 31.662 55.330 41.944 1.00 0.00 C ATOM 549 CD1 TRP A 36 31.998 56.637 41.987 1.00 0.00 C ATOM 550 CD2 TRP A 36 32.168 54.751 43.189 1.00 0.00 C ATOM 551 NE1 TRP A 36 32.685 56.906 43.150 1.00 0.00 N ATOM 552 CE2 TRP A 36 32.822 55.780 43.931 1.00 0.00 C ATOM 553 CE3 TRP A 36 32.135 53.466 43.773 1.00 0.00 C ATOM 554 CZ2 TRP A 36 33.420 55.547 45.178 1.00 0.00 C ATOM 555 CZ3 TRP A 36 32.747 53.215 45.017 1.00 0.00 C ATOM 556 CH2 TRP A 36 33.383 54.252 45.721 1.00 0.00 C ATOM 0 H TRP A 36 31.289 55.962 38.338 1.00 0.00 H new ATOM 0 HA TRP A 36 32.606 53.802 39.822 1.00 0.00 H new ATOM 0 HB2 TRP A 36 30.074 55.323 40.559 1.00 0.00 H new ATOM 0 HB3 TRP A 36 30.464 53.751 41.228 1.00 0.00 H new ATOM 0 HD1 TRP A 36 31.763 57.363 41.223 1.00 0.00 H new ATOM 0 HE1 TRP A 36 33.048 57.826 43.402 1.00 0.00 H new ATOM 0 HE3 TRP A 36 31.632 52.661 43.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 33.902 56.352 45.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 32.727 52.218 45.433 1.00 0.00 H new ATOM 0 HH2 TRP A 36 33.843 54.053 46.678 1.00 0.00 H new ATOM 567 N TRP A 37 31.047 52.085 38.780 1.00 0.00 N ATOM 568 CA TRP A 37 30.387 51.064 37.957 1.00 0.00 C ATOM 569 C TRP A 37 29.690 49.970 38.780 1.00 0.00 C ATOM 570 O TRP A 37 29.992 49.762 39.956 1.00 0.00 O ATOM 571 CB TRP A 37 31.447 50.410 37.058 1.00 0.00 C ATOM 572 CG TRP A 37 32.135 51.270 36.042 1.00 0.00 C ATOM 573 CD1 TRP A 37 31.698 52.450 35.546 1.00 0.00 C ATOM 574 CD2 TRP A 37 33.391 50.995 35.352 1.00 0.00 C ATOM 575 NE1 TRP A 37 32.576 52.905 34.587 1.00 0.00 N ATOM 576 CE2 TRP A 37 33.631 52.039 34.412 1.00 0.00 C ATOM 577 CE3 TRP A 37 34.349 49.961 35.421 1.00 0.00 C ATOM 578 CZ2 TRP A 37 34.751 52.052 33.570 1.00 0.00 C ATOM 579 CZ3 TRP A 37 35.490 49.974 34.597 1.00 0.00 C ATOM 580 CH2 TRP A 37 35.689 51.012 33.671 1.00 0.00 C ATOM 0 H TRP A 37 31.713 51.692 39.445 1.00 0.00 H new ATOM 0 HA TRP A 37 29.611 51.565 37.379 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.212 49.979 37.703 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.973 49.583 36.529 1.00 0.00 H new ATOM 0 HD1 TRP A 37 30.797 52.959 35.855 1.00 0.00 H new ATOM 0 HE1 TRP A 37 32.459 53.777 34.070 1.00 0.00 H new ATOM 0 HE3 TRP A 37 34.204 49.148 36.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 34.891 52.849 32.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 36.218 49.180 34.677 1.00 0.00 H new ATOM 0 HH2 TRP A 37 36.563 51.010 33.037 1.00 0.00 H new ATOM 591 N GLU A 38 28.797 49.233 38.118 1.00 0.00 N ATOM 592 CA GLU A 38 28.155 48.020 38.617 1.00 0.00 C ATOM 593 C GLU A 38 28.912 46.791 38.106 1.00 0.00 C ATOM 594 O GLU A 38 29.069 46.574 36.903 1.00 0.00 O ATOM 595 CB GLU A 38 26.691 47.980 38.176 1.00 0.00 C ATOM 596 CG GLU A 38 25.853 48.956 39.007 1.00 0.00 C ATOM 597 CD GLU A 38 24.532 49.263 38.303 1.00 0.00 C ATOM 598 OE1 GLU A 38 24.566 50.058 37.333 1.00 0.00 O ATOM 599 OE2 GLU A 38 23.482 48.711 38.707 1.00 0.00 O ATOM 0 H GLU A 38 28.489 49.478 37.177 1.00 0.00 H new ATOM 0 HA GLU A 38 28.181 48.018 39.707 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.616 48.236 37.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.299 46.969 38.287 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.657 48.529 39.991 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.410 49.879 39.165 1.00 0.00 H new ATOM 606 N VAL A 39 29.410 46.023 39.066 1.00 0.00 N ATOM 607 CA VAL A 39 30.433 44.997 38.869 1.00 0.00 C ATOM 608 C VAL A 39 30.229 43.804 39.802 1.00 0.00 C ATOM 609 O VAL A 39 29.414 43.825 40.723 1.00 0.00 O ATOM 610 CB VAL A 39 31.868 45.571 39.040 1.00 0.00 C ATOM 611 CG1 VAL A 39 32.141 46.768 38.114 1.00 0.00 C ATOM 612 CG2 VAL A 39 32.186 45.969 40.491 1.00 0.00 C ATOM 0 H VAL A 39 29.105 46.097 40.036 1.00 0.00 H new ATOM 0 HA VAL A 39 30.325 44.649 37.842 1.00 0.00 H new ATOM 0 HB VAL A 39 32.528 44.752 38.756 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.157 47.129 38.275 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.027 46.458 37.075 1.00 0.00 H new ATOM 0 HG13 VAL A 39 31.433 47.567 38.334 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.201 46.362 40.546 1.00 0.00 H new ATOM 0 HG22 VAL A 39 31.482 46.733 40.821 1.00 0.00 H new ATOM 0 HG23 VAL A 39 32.100 45.094 41.135 1.00 0.00 H new ATOM 622 N ARG A 40 31.060 42.790 39.591 1.00 0.00 N ATOM 623 CA ARG A 40 31.360 41.754 40.567 1.00 0.00 C ATOM 624 C ARG A 40 32.809 41.310 40.440 1.00 0.00 C ATOM 625 O ARG A 40 33.416 41.411 39.377 1.00 0.00 O ATOM 626 CB ARG A 40 30.385 40.573 40.423 1.00 0.00 C ATOM 627 CG ARG A 40 30.428 39.855 39.064 1.00 0.00 C ATOM 628 CD ARG A 40 29.607 38.558 39.052 1.00 0.00 C ATOM 629 NE ARG A 40 28.254 38.745 39.607 1.00 0.00 N ATOM 630 CZ ARG A 40 27.084 38.799 38.982 1.00 0.00 C ATOM 631 NH1 ARG A 40 26.961 38.713 37.674 1.00 0.00 N ATOM 632 NH2 ARG A 40 25.996 38.952 39.707 1.00 0.00 N ATOM 0 H ARG A 40 31.557 42.664 38.709 1.00 0.00 H new ATOM 0 HA ARG A 40 31.227 42.164 41.568 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.600 39.847 41.207 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.371 40.936 40.593 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.051 40.526 38.292 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.463 39.627 38.811 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.530 38.190 38.029 1.00 0.00 H new ATOM 0 HD3 ARG A 40 30.131 37.794 39.627 1.00 0.00 H new ATOM 0 HE ARG A 40 28.210 38.848 40.621 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.790 38.599 37.090 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.037 38.760 37.244 1.00 0.00 H new ATOM 0 HH21 ARG A 40 26.066 39.026 40.722 1.00 0.00 H new ATOM 0 HH22 ARG A 40 25.083 38.997 39.254 1.00 0.00 H new ATOM 646 N SER A 41 33.352 40.765 41.511 1.00 0.00 N ATOM 647 CA SER A 41 34.481 39.856 41.449 1.00 0.00 C ATOM 648 C SER A 41 34.170 38.685 40.506 1.00 0.00 C ATOM 649 O SER A 41 33.184 37.965 40.671 1.00 0.00 O ATOM 650 CB SER A 41 34.768 39.328 42.856 1.00 0.00 C ATOM 651 OG SER A 41 35.578 38.177 42.789 1.00 0.00 O ATOM 0 H SER A 41 33.019 40.942 42.459 1.00 0.00 H new ATOM 0 HA SER A 41 35.353 40.385 41.066 1.00 0.00 H new ATOM 0 HB2 SER A 41 35.265 40.097 43.446 1.00 0.00 H new ATOM 0 HB3 SER A 41 33.832 39.093 43.362 1.00 0.00 H new ATOM 0 HG SER A 41 36.516 38.428 42.924 1.00 0.00 H new ATOM 657 N LEU A 42 35.053 38.491 39.529 1.00 0.00 N ATOM 658 CA LEU A 42 35.074 37.307 38.679 1.00 0.00 C ATOM 659 C LEU A 42 35.587 36.079 39.457 1.00 0.00 C ATOM 660 O LEU A 42 35.068 34.976 39.287 1.00 0.00 O ATOM 661 CB LEU A 42 35.928 37.635 37.442 1.00 0.00 C ATOM 662 CG LEU A 42 35.834 36.578 36.327 1.00 0.00 C ATOM 663 CD1 LEU A 42 34.446 36.577 35.666 1.00 0.00 C ATOM 664 CD2 LEU A 42 36.916 36.861 35.277 1.00 0.00 C ATOM 0 H LEU A 42 35.785 39.164 39.304 1.00 0.00 H new ATOM 0 HA LEU A 42 34.068 37.043 38.352 1.00 0.00 H new ATOM 0 HB2 LEU A 42 35.617 38.600 37.042 1.00 0.00 H new ATOM 0 HB3 LEU A 42 36.969 37.737 37.747 1.00 0.00 H new ATOM 0 HG LEU A 42 35.988 35.593 36.768 1.00 0.00 H new ATOM 0 HD11 LEU A 42 34.416 35.819 34.884 1.00 0.00 H new ATOM 0 HD12 LEU A 42 33.686 36.355 36.416 1.00 0.00 H new ATOM 0 HD13 LEU A 42 34.250 37.556 35.229 1.00 0.00 H new ATOM 0 HD21 LEU A 42 36.856 36.116 34.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 36.763 37.854 34.855 1.00 0.00 H new ATOM 0 HD23 LEU A 42 37.899 36.814 35.746 1.00 0.00 H new ATOM 676 N THR A 43 36.588 36.284 40.322 1.00 0.00 N ATOM 677 CA THR A 43 37.298 35.266 41.117 1.00 0.00 C ATOM 678 C THR A 43 36.412 34.542 42.122 1.00 0.00 C ATOM 679 O THR A 43 36.532 33.320 42.236 1.00 0.00 O ATOM 680 CB THR A 43 38.451 35.963 41.826 1.00 0.00 C ATOM 681 OG1 THR A 43 39.237 36.468 40.785 1.00 0.00 O ATOM 682 CG2 THR A 43 39.358 35.108 42.712 1.00 0.00 C ATOM 0 H THR A 43 36.948 37.222 40.499 1.00 0.00 H new ATOM 0 HA THR A 43 37.652 34.489 40.440 1.00 0.00 H new ATOM 0 HB THR A 43 38.014 36.683 42.518 1.00 0.00 H new ATOM 0 HG1 THR A 43 39.712 37.268 41.092 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.133 35.735 43.152 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.766 34.652 43.506 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.822 34.326 42.111 1.00 0.00 H new ATOM 690 N THR A 44 35.534 35.252 42.843 1.00 0.00 N ATOM 691 CA THR A 44 34.679 34.712 43.913 1.00 0.00 C ATOM 692 C THR A 44 33.207 34.690 43.497 1.00 0.00 C ATOM 693 O THR A 44 32.502 33.735 43.818 1.00 0.00 O ATOM 694 CB THR A 44 34.842 35.534 45.204 1.00 0.00 C ATOM 695 OG1 THR A 44 34.265 36.805 45.033 1.00 0.00 O ATOM 696 CG2 THR A 44 36.303 35.712 45.640 1.00 0.00 C ATOM 0 H THR A 44 35.393 36.251 42.694 1.00 0.00 H new ATOM 0 HA THR A 44 34.998 33.686 44.098 1.00 0.00 H new ATOM 0 HB THR A 44 34.337 34.971 45.989 1.00 0.00 H new ATOM 0 HG1 THR A 44 34.713 37.271 44.297 1.00 0.00 H new ATOM 0 HG21 THR A 44 36.340 36.301 46.556 1.00 0.00 H new ATOM 0 HG22 THR A 44 36.751 34.735 45.819 1.00 0.00 H new ATOM 0 HG23 THR A 44 36.857 36.227 44.855 1.00 0.00 H new ATOM 704 N GLY A 45 32.762 35.719 42.764 1.00 0.00 N ATOM 705 CA GLY A 45 31.366 35.989 42.391 1.00 0.00 C ATOM 706 C GLY A 45 30.728 37.156 43.162 1.00 0.00 C ATOM 707 O GLY A 45 29.611 37.559 42.833 1.00 0.00 O ATOM 0 H GLY A 45 33.400 36.424 42.395 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.321 36.204 41.323 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.775 35.089 42.560 1.00 0.00 H new ATOM 711 N GLU A 46 31.405 37.704 44.178 1.00 0.00 N ATOM 712 CA GLU A 46 30.857 38.743 45.056 1.00 0.00 C ATOM 713 C GLU A 46 30.644 40.070 44.303 1.00 0.00 C ATOM 714 O GLU A 46 31.513 40.508 43.549 1.00 0.00 O ATOM 715 CB GLU A 46 31.742 38.903 46.305 1.00 0.00 C ATOM 716 CG GLU A 46 31.102 39.758 47.406 1.00 0.00 C ATOM 717 CD GLU A 46 29.719 39.229 47.816 1.00 0.00 C ATOM 718 OE1 GLU A 46 29.646 38.329 48.686 1.00 0.00 O ATOM 719 OE2 GLU A 46 28.710 39.701 47.244 1.00 0.00 O ATOM 0 H GLU A 46 32.360 37.435 44.416 1.00 0.00 H new ATOM 0 HA GLU A 46 29.869 38.430 45.393 1.00 0.00 H new ATOM 0 HB2 GLU A 46 31.968 37.916 46.708 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.691 39.353 46.013 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.756 39.775 48.278 1.00 0.00 H new ATOM 0 HG3 GLU A 46 31.008 40.786 47.057 1.00 0.00 H new ATOM 726 N THR A 47 29.470 40.683 44.479 1.00 0.00 N ATOM 727 CA THR A 47 28.852 41.681 43.585 1.00 0.00 C ATOM 728 C THR A 47 28.606 43.001 44.323 1.00 0.00 C ATOM 729 O THR A 47 28.339 43.012 45.526 1.00 0.00 O ATOM 730 CB THR A 47 27.525 41.116 43.044 1.00 0.00 C ATOM 731 OG1 THR A 47 27.769 39.956 42.285 1.00 0.00 O ATOM 732 CG2 THR A 47 26.757 42.049 42.111 1.00 0.00 C ATOM 0 H THR A 47 28.888 40.489 45.294 1.00 0.00 H new ATOM 0 HA THR A 47 29.530 41.885 42.757 1.00 0.00 H new ATOM 0 HB THR A 47 26.929 40.944 43.940 1.00 0.00 H new ATOM 0 HG1 THR A 47 28.344 39.347 42.794 1.00 0.00 H new ATOM 0 HG21 THR A 47 25.839 41.561 41.784 1.00 0.00 H new ATOM 0 HG22 THR A 47 26.511 42.970 42.639 1.00 0.00 H new ATOM 0 HG23 THR A 47 27.373 42.283 41.242 1.00 0.00 H new ATOM 740 N GLY A 48 28.662 44.111 43.583 1.00 0.00 N ATOM 741 CA GLY A 48 28.457 45.475 44.073 1.00 0.00 C ATOM 742 C GLY A 48 29.085 46.542 43.176 1.00 0.00 C ATOM 743 O GLY A 48 28.967 46.503 41.947 1.00 0.00 O ATOM 0 H GLY A 48 28.860 44.082 42.583 1.00 0.00 H new ATOM 0 HA2 GLY A 48 27.387 45.666 44.158 1.00 0.00 H new ATOM 0 HA3 GLY A 48 28.877 45.560 45.075 1.00 0.00 H new ATOM 747 N TYR A 49 29.723 47.522 43.813 1.00 0.00 N ATOM 748 CA TYR A 49 30.279 48.716 43.168 1.00 0.00 C ATOM 749 C TYR A 49 31.808 48.824 43.325 1.00 0.00 C ATOM 750 O TYR A 49 32.404 48.228 44.221 1.00 0.00 O ATOM 751 CB TYR A 49 29.588 49.960 43.748 1.00 0.00 C ATOM 752 CG TYR A 49 28.090 50.026 43.504 1.00 0.00 C ATOM 753 CD1 TYR A 49 27.198 49.413 44.405 1.00 0.00 C ATOM 754 CD2 TYR A 49 27.585 50.722 42.388 1.00 0.00 C ATOM 755 CE1 TYR A 49 25.810 49.492 44.195 1.00 0.00 C ATOM 756 CE2 TYR A 49 26.196 50.817 42.178 1.00 0.00 C ATOM 757 CZ TYR A 49 25.303 50.202 43.086 1.00 0.00 C ATOM 758 OH TYR A 49 23.957 50.294 42.906 1.00 0.00 O ATOM 0 H TYR A 49 29.873 47.509 44.822 1.00 0.00 H new ATOM 0 HA TYR A 49 30.089 48.640 42.097 1.00 0.00 H new ATOM 0 HB2 TYR A 49 29.769 49.992 44.822 1.00 0.00 H new ATOM 0 HB3 TYR A 49 30.052 50.849 43.320 1.00 0.00 H new ATOM 0 HD1 TYR A 49 27.582 48.879 45.262 1.00 0.00 H new ATOM 0 HD2 TYR A 49 28.267 51.185 41.690 1.00 0.00 H new ATOM 0 HE1 TYR A 49 25.132 49.009 44.883 1.00 0.00 H new ATOM 0 HE2 TYR A 49 25.813 51.358 41.325 1.00 0.00 H new ATOM 0 HH TYR A 49 23.770 50.816 42.098 1.00 0.00 H new ATOM 768 N ILE A 50 32.429 49.656 42.484 1.00 0.00 N ATOM 769 CA ILE A 50 33.852 50.046 42.527 1.00 0.00 C ATOM 770 C ILE A 50 34.014 51.478 41.994 1.00 0.00 C ATOM 771 O ILE A 50 33.180 51.890 41.180 1.00 0.00 O ATOM 772 CB ILE A 50 34.766 49.082 41.723 1.00 0.00 C ATOM 773 CG1 ILE A 50 34.337 48.804 40.259 1.00 0.00 C ATOM 774 CG2 ILE A 50 34.939 47.757 42.481 1.00 0.00 C ATOM 775 CD1 ILE A 50 34.780 49.850 39.226 1.00 0.00 C ATOM 0 H ILE A 50 31.932 50.102 41.713 1.00 0.00 H new ATOM 0 HA ILE A 50 34.167 49.991 43.569 1.00 0.00 H new ATOM 0 HB ILE A 50 35.714 49.612 41.638 1.00 0.00 H new ATOM 0 HG12 ILE A 50 34.735 47.834 39.961 1.00 0.00 H new ATOM 0 HG13 ILE A 50 33.250 48.726 40.227 1.00 0.00 H new ATOM 0 HG21 ILE A 50 35.582 47.090 41.906 1.00 0.00 H new ATOM 0 HG22 ILE A 50 35.393 47.950 43.453 1.00 0.00 H new ATOM 0 HG23 ILE A 50 33.965 47.289 42.622 1.00 0.00 H new ATOM 0 HD11 ILE A 50 34.427 49.557 38.237 1.00 0.00 H new ATOM 0 HD12 ILE A 50 34.360 50.821 39.488 1.00 0.00 H new ATOM 0 HD13 ILE A 50 35.868 49.916 39.218 1.00 0.00 H new ATOM 787 N PRO A 51 35.067 52.219 42.398 1.00 0.00 N ATOM 788 CA PRO A 51 35.537 53.374 41.659 1.00 0.00 C ATOM 789 C PRO A 51 36.317 52.889 40.434 1.00 0.00 C ATOM 790 O PRO A 51 37.302 52.159 40.541 1.00 0.00 O ATOM 791 CB PRO A 51 36.422 54.186 42.605 1.00 0.00 C ATOM 792 CG PRO A 51 36.617 53.303 43.839 1.00 0.00 C ATOM 793 CD PRO A 51 35.959 51.962 43.515 1.00 0.00 C ATOM 0 HA PRO A 51 34.717 53.999 41.306 1.00 0.00 H new ATOM 0 HB2 PRO A 51 37.378 54.426 42.139 1.00 0.00 H new ATOM 0 HB3 PRO A 51 35.950 55.132 42.870 1.00 0.00 H new ATOM 0 HG2 PRO A 51 37.676 53.173 44.061 1.00 0.00 H new ATOM 0 HG3 PRO A 51 36.161 53.758 44.718 1.00 0.00 H new ATOM 0 HD2 PRO A 51 36.706 51.213 43.254 1.00 0.00 H new ATOM 0 HD3 PRO A 51 35.409 51.578 44.374 1.00 0.00 H new ATOM 801 N SER A 52 35.861 53.317 39.266 1.00 0.00 N ATOM 802 CA SER A 52 36.465 53.079 37.959 1.00 0.00 C ATOM 803 C SER A 52 37.959 53.462 37.888 1.00 0.00 C ATOM 804 O SER A 52 38.765 52.572 37.586 1.00 0.00 O ATOM 805 CB SER A 52 35.642 53.828 36.903 1.00 0.00 C ATOM 806 OG SER A 52 36.350 53.911 35.687 1.00 0.00 O ATOM 0 H SER A 52 35.009 53.873 39.199 1.00 0.00 H new ATOM 0 HA SER A 52 36.444 52.006 37.767 1.00 0.00 H new ATOM 0 HB2 SER A 52 34.693 53.315 36.743 1.00 0.00 H new ATOM 0 HB3 SER A 52 35.406 54.830 37.262 1.00 0.00 H new ATOM 0 HG SER A 52 35.903 53.361 35.010 1.00 0.00 H new ATOM 812 N PRO A 53 38.372 54.721 38.176 1.00 0.00 N ATOM 813 CA PRO A 53 39.755 55.156 37.968 1.00 0.00 C ATOM 814 C PRO A 53 40.739 54.548 38.979 1.00 0.00 C ATOM 815 O PRO A 53 41.946 54.576 38.744 1.00 0.00 O ATOM 816 CB PRO A 53 39.719 56.681 38.066 1.00 0.00 C ATOM 817 CG PRO A 53 38.577 56.936 39.042 1.00 0.00 C ATOM 818 CD PRO A 53 37.578 55.840 38.678 1.00 0.00 C ATOM 0 HA PRO A 53 40.122 54.814 37.000 1.00 0.00 H new ATOM 0 HB2 PRO A 53 40.662 57.084 38.435 1.00 0.00 H new ATOM 0 HB3 PRO A 53 39.532 57.143 37.097 1.00 0.00 H new ATOM 0 HG2 PRO A 53 38.905 56.858 40.079 1.00 0.00 H new ATOM 0 HG3 PRO A 53 38.151 57.931 38.916 1.00 0.00 H new ATOM 0 HD2 PRO A 53 36.991 55.543 39.547 1.00 0.00 H new ATOM 0 HD3 PRO A 53 36.874 56.189 37.922 1.00 0.00 H new