USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot 147:sc= 1.31 USER MOD Set 1.2: A 44 THR OG1 : rot 177:sc= 2.25 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.189 K(o=1.5,f=-1.1) USER MOD Set 2.2: A 32 SER OG : rot -147:sc= 1.29 USER MOD Single : A 1 SER N :NH3+ -151:sc= 0.707 (180deg=0.274) USER MOD Single : A 1 SER OG : rot -64:sc= 0.00964 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -152:sc= 0.0879 USER MOD Single : A 14 THR OG1 : rot -58:sc= 0.844 USER MOD Single : A 19 SER OG : rot -152:sc= 1.72 USER MOD Single : A 21 HIS : no HE2:sc= 0.342 K(o=0.34,f=-1.9!) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= 0.623 (180deg=0.172) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 2.02 (180deg=1.99) USER MOD Single : A 27 GLN : amide:sc= 0.397 K(o=0.4,f=-3.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 148:sc= 0.372 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -152:sc= 2.05 USER MOD Single : A 54 TYR OH : rot 177:sc= 0.251 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 29.455 41.977 30.772 1.00 0.00 N ATOM 2 CA SER A 1 29.748 42.275 29.356 1.00 0.00 C ATOM 3 C SER A 1 31.211 41.996 28.957 1.00 0.00 C ATOM 4 O SER A 1 31.482 41.644 27.806 1.00 0.00 O ATOM 5 CB SER A 1 29.384 43.735 29.029 1.00 0.00 C ATOM 6 OG SER A 1 30.330 44.672 29.514 1.00 0.00 O ATOM 0 H1 SER A 1 28.456 41.706 30.870 1.00 0.00 H new ATOM 0 H2 SER A 1 30.059 41.194 31.094 1.00 0.00 H new ATOM 0 H3 SER A 1 29.644 42.820 31.350 1.00 0.00 H new ATOM 0 HA SER A 1 29.130 41.595 28.769 1.00 0.00 H new ATOM 0 HB2 SER A 1 29.294 43.846 27.948 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.407 43.962 29.455 1.00 0.00 H new ATOM 0 HG SER A 1 30.351 44.639 30.493 1.00 0.00 H new ATOM 12 N THR A 2 32.144 42.132 29.914 1.00 0.00 N ATOM 13 CA THR A 2 33.602 42.001 29.756 1.00 0.00 C ATOM 14 C THR A 2 34.287 41.991 31.119 1.00 0.00 C ATOM 15 O THR A 2 33.705 42.438 32.111 1.00 0.00 O ATOM 16 CB THR A 2 34.158 43.109 28.843 1.00 0.00 C ATOM 17 OG1 THR A 2 35.486 42.799 28.498 1.00 0.00 O ATOM 18 CG2 THR A 2 34.164 44.501 29.480 1.00 0.00 C ATOM 0 H THR A 2 31.885 42.349 30.876 1.00 0.00 H new ATOM 0 HA THR A 2 33.816 41.048 29.272 1.00 0.00 H new ATOM 0 HB THR A 2 33.494 43.144 27.979 1.00 0.00 H new ATOM 0 HG1 THR A 2 35.845 43.500 27.915 1.00 0.00 H new ATOM 0 HG21 THR A 2 34.570 45.223 28.772 1.00 0.00 H new ATOM 0 HG22 THR A 2 33.145 44.785 29.744 1.00 0.00 H new ATOM 0 HG23 THR A 2 34.781 44.487 30.379 1.00 0.00 H new ATOM 26 N LEU A 3 35.505 41.451 31.174 1.00 0.00 N ATOM 27 CA LEU A 3 36.345 41.388 32.372 1.00 0.00 C ATOM 28 C LEU A 3 37.221 42.648 32.532 1.00 0.00 C ATOM 29 O LEU A 3 37.447 43.401 31.582 1.00 0.00 O ATOM 30 CB LEU A 3 37.238 40.127 32.300 1.00 0.00 C ATOM 31 CG LEU A 3 36.530 38.786 32.015 1.00 0.00 C ATOM 32 CD1 LEU A 3 37.564 37.653 32.051 1.00 0.00 C ATOM 33 CD2 LEU A 3 35.400 38.500 33.013 1.00 0.00 C ATOM 0 H LEU A 3 35.950 41.031 30.358 1.00 0.00 H new ATOM 0 HA LEU A 3 35.691 41.337 33.243 1.00 0.00 H new ATOM 0 HB2 LEU A 3 37.988 40.286 31.525 1.00 0.00 H new ATOM 0 HB3 LEU A 3 37.772 40.035 33.246 1.00 0.00 H new ATOM 0 HG LEU A 3 36.074 38.850 31.027 1.00 0.00 H new ATOM 0 HD11 LEU A 3 37.069 36.703 31.850 1.00 0.00 H new ATOM 0 HD12 LEU A 3 38.327 37.832 31.293 1.00 0.00 H new ATOM 0 HD13 LEU A 3 38.031 37.618 33.035 1.00 0.00 H new ATOM 0 HD21 LEU A 3 34.933 37.546 32.770 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.808 38.458 34.023 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.655 39.293 32.956 1.00 0.00 H new ATOM 45 N PHE A 4 37.925 42.702 33.663 1.00 0.00 N ATOM 46 CA PHE A 4 38.849 43.762 34.058 1.00 0.00 C ATOM 47 C PHE A 4 39.714 43.328 35.249 1.00 0.00 C ATOM 48 O PHE A 4 39.248 42.618 36.143 1.00 0.00 O ATOM 49 CB PHE A 4 38.080 45.064 34.350 1.00 0.00 C ATOM 50 CG PHE A 4 38.907 46.297 34.059 1.00 0.00 C ATOM 51 CD1 PHE A 4 39.778 46.820 35.031 1.00 0.00 C ATOM 52 CD2 PHE A 4 38.859 46.879 32.778 1.00 0.00 C ATOM 53 CE1 PHE A 4 40.611 47.905 34.717 1.00 0.00 C ATOM 54 CE2 PHE A 4 39.682 47.975 32.469 1.00 0.00 C ATOM 55 CZ PHE A 4 40.565 48.483 33.436 1.00 0.00 C ATOM 0 H PHE A 4 37.861 41.966 34.366 1.00 0.00 H new ATOM 0 HA PHE A 4 39.528 43.957 33.228 1.00 0.00 H new ATOM 0 HB2 PHE A 4 37.171 45.089 33.749 1.00 0.00 H new ATOM 0 HB3 PHE A 4 37.772 45.075 35.395 1.00 0.00 H new ATOM 0 HD1 PHE A 4 39.806 46.387 36.020 1.00 0.00 H new ATOM 0 HD2 PHE A 4 38.188 46.482 32.031 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.289 48.297 35.461 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.636 48.426 31.489 1.00 0.00 H new ATOM 0 HZ PHE A 4 41.208 49.317 33.196 1.00 0.00 H new ATOM 65 N GLU A 5 40.983 43.738 35.248 1.00 0.00 N ATOM 66 CA GLU A 5 41.949 43.438 36.308 1.00 0.00 C ATOM 67 C GLU A 5 42.415 44.742 36.967 1.00 0.00 C ATOM 68 O GLU A 5 42.733 45.719 36.285 1.00 0.00 O ATOM 69 CB GLU A 5 43.137 42.647 35.739 1.00 0.00 C ATOM 70 CG GLU A 5 42.695 41.262 35.249 1.00 0.00 C ATOM 71 CD GLU A 5 43.878 40.436 34.730 1.00 0.00 C ATOM 72 OE1 GLU A 5 44.268 40.613 33.552 1.00 0.00 O ATOM 73 OE2 GLU A 5 44.401 39.591 35.494 1.00 0.00 O ATOM 0 H GLU A 5 41.377 44.300 34.494 1.00 0.00 H new ATOM 0 HA GLU A 5 41.471 42.820 37.068 1.00 0.00 H new ATOM 0 HB2 GLU A 5 43.586 43.202 34.915 1.00 0.00 H new ATOM 0 HB3 GLU A 5 43.905 42.537 36.505 1.00 0.00 H new ATOM 0 HG2 GLU A 5 42.208 40.727 36.064 1.00 0.00 H new ATOM 0 HG3 GLU A 5 41.956 41.376 34.456 1.00 0.00 H new ATOM 80 N ALA A 6 42.376 44.781 38.298 1.00 0.00 N ATOM 81 CA ALA A 6 42.840 45.890 39.118 1.00 0.00 C ATOM 82 C ALA A 6 44.350 46.104 38.940 1.00 0.00 C ATOM 83 O ALA A 6 45.141 45.173 39.116 1.00 0.00 O ATOM 84 CB ALA A 6 42.493 45.576 40.578 1.00 0.00 C ATOM 0 H ALA A 6 42.005 44.009 38.852 1.00 0.00 H new ATOM 0 HA ALA A 6 42.350 46.815 38.813 1.00 0.00 H new ATOM 0 HB1 ALA A 6 42.830 46.393 41.216 1.00 0.00 H new ATOM 0 HB2 ALA A 6 41.414 45.459 40.678 1.00 0.00 H new ATOM 0 HB3 ALA A 6 42.988 44.652 40.879 1.00 0.00 H new ATOM 90 N LEU A 7 44.760 47.335 38.628 1.00 0.00 N ATOM 91 CA LEU A 7 46.175 47.697 38.484 1.00 0.00 C ATOM 92 C LEU A 7 46.874 47.988 39.823 1.00 0.00 C ATOM 93 O LEU A 7 48.103 47.971 39.876 1.00 0.00 O ATOM 94 CB LEU A 7 46.292 48.902 37.532 1.00 0.00 C ATOM 95 CG LEU A 7 45.804 48.661 36.089 1.00 0.00 C ATOM 96 CD1 LEU A 7 46.073 49.927 35.265 1.00 0.00 C ATOM 97 CD2 LEU A 7 46.493 47.459 35.423 1.00 0.00 C ATOM 0 H LEU A 7 44.120 48.112 38.467 1.00 0.00 H new ATOM 0 HA LEU A 7 46.692 46.833 38.066 1.00 0.00 H new ATOM 0 HB2 LEU A 7 45.726 49.732 37.954 1.00 0.00 H new ATOM 0 HB3 LEU A 7 47.336 49.214 37.496 1.00 0.00 H new ATOM 0 HG LEU A 7 44.738 48.435 36.128 1.00 0.00 H new ATOM 0 HD11 LEU A 7 45.733 49.773 34.241 1.00 0.00 H new ATOM 0 HD12 LEU A 7 45.535 50.768 35.703 1.00 0.00 H new ATOM 0 HD13 LEU A 7 47.142 50.141 35.265 1.00 0.00 H new ATOM 0 HD21 LEU A 7 46.111 47.336 34.409 1.00 0.00 H new ATOM 0 HD22 LEU A 7 47.569 47.630 35.387 1.00 0.00 H new ATOM 0 HD23 LEU A 7 46.288 46.557 35.999 1.00 0.00 H new ATOM 109 N TYR A 8 46.115 48.237 40.897 1.00 0.00 N ATOM 110 CA TYR A 8 46.620 48.714 42.193 1.00 0.00 C ATOM 111 C TYR A 8 45.853 48.119 43.387 1.00 0.00 C ATOM 112 O TYR A 8 44.822 47.473 43.213 1.00 0.00 O ATOM 113 CB TYR A 8 46.578 50.254 42.212 1.00 0.00 C ATOM 114 CG TYR A 8 47.525 50.884 41.209 1.00 0.00 C ATOM 115 CD1 TYR A 8 48.913 50.811 41.435 1.00 0.00 C ATOM 116 CD2 TYR A 8 47.037 51.463 40.020 1.00 0.00 C ATOM 117 CE1 TYR A 8 49.815 51.281 40.466 1.00 0.00 C ATOM 118 CE2 TYR A 8 47.935 51.935 39.043 1.00 0.00 C ATOM 119 CZ TYR A 8 49.329 51.832 39.261 1.00 0.00 C ATOM 120 OH TYR A 8 50.213 52.250 38.314 1.00 0.00 O ATOM 0 H TYR A 8 45.103 48.109 40.890 1.00 0.00 H new ATOM 0 HA TYR A 8 47.649 48.372 42.303 1.00 0.00 H new ATOM 0 HB2 TYR A 8 45.561 50.587 42.003 1.00 0.00 H new ATOM 0 HB3 TYR A 8 46.829 50.607 43.212 1.00 0.00 H new ATOM 0 HD1 TYR A 8 49.286 50.392 42.358 1.00 0.00 H new ATOM 0 HD2 TYR A 8 45.972 51.545 39.858 1.00 0.00 H new ATOM 0 HE1 TYR A 8 50.879 51.221 40.643 1.00 0.00 H new ATOM 0 HE2 TYR A 8 47.561 52.374 38.130 1.00 0.00 H new ATOM 0 HH TYR A 8 49.723 52.604 37.542 1.00 0.00 H new ATOM 130 N ASP A 9 46.365 48.329 44.603 1.00 0.00 N ATOM 131 CA ASP A 9 45.734 47.877 45.849 1.00 0.00 C ATOM 132 C ASP A 9 44.774 48.947 46.424 1.00 0.00 C ATOM 133 O ASP A 9 44.975 50.151 46.230 1.00 0.00 O ATOM 134 CB ASP A 9 46.827 47.457 46.852 1.00 0.00 C ATOM 135 CG ASP A 9 47.828 46.430 46.281 1.00 0.00 C ATOM 136 OD1 ASP A 9 47.393 45.354 45.819 1.00 0.00 O ATOM 137 OD2 ASP A 9 49.056 46.689 46.300 1.00 0.00 O ATOM 0 H ASP A 9 47.243 48.825 44.753 1.00 0.00 H new ATOM 0 HA ASP A 9 45.112 47.006 45.641 1.00 0.00 H new ATOM 0 HB2 ASP A 9 47.373 48.344 47.174 1.00 0.00 H new ATOM 0 HB3 ASP A 9 46.353 47.035 47.738 1.00 0.00 H new ATOM 142 N TYR A 10 43.712 48.502 47.108 1.00 0.00 N ATOM 143 CA TYR A 10 42.540 49.304 47.499 1.00 0.00 C ATOM 144 C TYR A 10 41.789 48.723 48.724 1.00 0.00 C ATOM 145 O TYR A 10 41.959 47.552 49.073 1.00 0.00 O ATOM 146 CB TYR A 10 41.600 49.388 46.280 1.00 0.00 C ATOM 147 CG TYR A 10 40.369 50.261 46.454 1.00 0.00 C ATOM 148 CD1 TYR A 10 40.518 51.635 46.723 1.00 0.00 C ATOM 149 CD2 TYR A 10 39.078 49.699 46.387 1.00 0.00 C ATOM 150 CE1 TYR A 10 39.385 52.442 46.937 1.00 0.00 C ATOM 151 CE2 TYR A 10 37.941 50.500 46.598 1.00 0.00 C ATOM 152 CZ TYR A 10 38.094 51.875 46.881 1.00 0.00 C ATOM 153 OH TYR A 10 37.006 52.668 47.071 1.00 0.00 O ATOM 0 H TYR A 10 43.641 47.533 47.418 1.00 0.00 H new ATOM 0 HA TYR A 10 42.882 50.293 47.803 1.00 0.00 H new ATOM 0 HB2 TYR A 10 42.171 49.762 45.430 1.00 0.00 H new ATOM 0 HB3 TYR A 10 41.274 48.379 46.026 1.00 0.00 H new ATOM 0 HD1 TYR A 10 41.505 52.071 46.765 1.00 0.00 H new ATOM 0 HD2 TYR A 10 38.961 48.647 46.172 1.00 0.00 H new ATOM 0 HE1 TYR A 10 39.504 53.495 47.144 1.00 0.00 H new ATOM 0 HE2 TYR A 10 36.954 50.065 46.544 1.00 0.00 H new ATOM 0 HH TYR A 10 36.272 52.134 47.440 1.00 0.00 H new ATOM 163 N GLU A 11 40.900 49.512 49.340 1.00 0.00 N ATOM 164 CA GLU A 11 40.060 49.108 50.472 1.00 0.00 C ATOM 165 C GLU A 11 38.748 49.908 50.481 1.00 0.00 C ATOM 166 O GLU A 11 38.751 51.140 50.559 1.00 0.00 O ATOM 167 CB GLU A 11 40.828 49.297 51.793 1.00 0.00 C ATOM 168 CG GLU A 11 40.091 48.712 53.004 1.00 0.00 C ATOM 169 CD GLU A 11 40.023 47.179 52.954 1.00 0.00 C ATOM 170 OE1 GLU A 11 39.071 46.642 52.336 1.00 0.00 O ATOM 171 OE2 GLU A 11 40.917 46.523 53.538 1.00 0.00 O ATOM 0 H GLU A 11 40.741 50.478 49.055 1.00 0.00 H new ATOM 0 HA GLU A 11 39.810 48.052 50.366 1.00 0.00 H new ATOM 0 HB2 GLU A 11 41.807 48.826 51.708 1.00 0.00 H new ATOM 0 HB3 GLU A 11 40.999 50.361 51.958 1.00 0.00 H new ATOM 0 HG2 GLU A 11 40.595 49.022 53.919 1.00 0.00 H new ATOM 0 HG3 GLU A 11 39.080 49.118 53.044 1.00 0.00 H new ATOM 178 N ALA A 12 37.625 49.193 50.425 1.00 0.00 N ATOM 179 CA ALA A 12 36.280 49.727 50.255 1.00 0.00 C ATOM 180 C ALA A 12 35.864 50.757 51.325 1.00 0.00 C ATOM 181 O ALA A 12 35.947 50.505 52.530 1.00 0.00 O ATOM 182 CB ALA A 12 35.302 48.546 50.219 1.00 0.00 C ATOM 0 H ALA A 12 37.632 48.176 50.501 1.00 0.00 H new ATOM 0 HA ALA A 12 36.261 50.285 49.319 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.286 48.919 50.092 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.554 47.890 49.386 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.370 47.989 51.153 1.00 0.00 H new ATOM 188 N ARG A 13 35.172 51.794 50.851 1.00 0.00 N ATOM 189 CA ARG A 13 34.882 53.033 51.579 1.00 0.00 C ATOM 190 C ARG A 13 33.492 53.056 52.240 1.00 0.00 C ATOM 191 O ARG A 13 33.336 53.710 53.275 1.00 0.00 O ATOM 192 CB ARG A 13 35.006 54.218 50.600 1.00 0.00 C ATOM 193 CG ARG A 13 36.388 54.426 49.945 1.00 0.00 C ATOM 194 CD ARG A 13 37.493 54.889 50.905 1.00 0.00 C ATOM 195 NE ARG A 13 38.055 53.756 51.653 1.00 0.00 N ATOM 196 CZ ARG A 13 38.344 53.673 52.944 1.00 0.00 C ATOM 197 NH1 ARG A 13 38.259 54.705 53.759 1.00 0.00 N ATOM 198 NH2 ARG A 13 38.724 52.507 53.417 1.00 0.00 N ATOM 0 H ARG A 13 34.781 51.795 49.909 1.00 0.00 H new ATOM 0 HA ARG A 13 35.605 53.104 52.391 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.269 54.085 49.808 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.740 55.131 51.133 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.699 53.490 49.480 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.289 55.161 49.146 1.00 0.00 H new ATOM 0 HD2 ARG A 13 38.284 55.385 50.342 1.00 0.00 H new ATOM 0 HD3 ARG A 13 37.089 55.624 51.602 1.00 0.00 H new ATOM 0 HE ARG A 13 38.249 52.919 51.104 1.00 0.00 H new ATOM 0 HH11 ARG A 13 37.961 55.613 53.403 1.00 0.00 H new ATOM 0 HH12 ARG A 13 38.491 54.596 54.746 1.00 0.00 H new ATOM 0 HH21 ARG A 13 38.789 51.701 52.795 1.00 0.00 H new ATOM 0 HH22 ARG A 13 38.954 52.408 54.406 1.00 0.00 H new ATOM 212 N THR A 14 32.488 52.384 51.660 1.00 0.00 N ATOM 213 CA THR A 14 31.083 52.324 52.112 1.00 0.00 C ATOM 214 C THR A 14 30.747 50.889 52.560 1.00 0.00 C ATOM 215 O THR A 14 31.611 50.192 53.092 1.00 0.00 O ATOM 216 CB THR A 14 30.115 52.917 51.050 1.00 0.00 C ATOM 217 OG1 THR A 14 29.747 51.976 50.076 1.00 0.00 O ATOM 218 CG2 THR A 14 30.671 54.124 50.288 1.00 0.00 C ATOM 0 H THR A 14 32.639 51.835 50.814 1.00 0.00 H new ATOM 0 HA THR A 14 30.945 52.961 52.985 1.00 0.00 H new ATOM 0 HB THR A 14 29.260 53.229 51.650 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.551 51.631 49.634 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.930 54.473 49.568 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.899 54.925 50.991 1.00 0.00 H new ATOM 0 HG23 THR A 14 31.580 53.834 49.761 1.00 0.00 H new ATOM 226 N GLU A 15 29.506 50.449 52.357 1.00 0.00 N ATOM 227 CA GLU A 15 29.008 49.090 52.600 1.00 0.00 C ATOM 228 C GLU A 15 28.672 48.346 51.281 1.00 0.00 C ATOM 229 O GLU A 15 28.251 47.188 51.320 1.00 0.00 O ATOM 230 CB GLU A 15 27.758 49.177 53.497 1.00 0.00 C ATOM 231 CG GLU A 15 28.021 49.904 54.825 1.00 0.00 C ATOM 232 CD GLU A 15 26.761 49.949 55.700 1.00 0.00 C ATOM 233 OE1 GLU A 15 26.488 48.960 56.421 1.00 0.00 O ATOM 234 OE2 GLU A 15 26.049 50.979 55.686 1.00 0.00 O ATOM 0 H GLU A 15 28.777 51.065 51.998 1.00 0.00 H new ATOM 0 HA GLU A 15 29.793 48.517 53.094 1.00 0.00 H new ATOM 0 HB2 GLU A 15 26.965 49.694 52.957 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.397 48.170 53.706 1.00 0.00 H new ATOM 0 HG2 GLU A 15 28.822 49.400 55.365 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.362 50.920 54.624 1.00 0.00 H new ATOM 241 N ASP A 16 28.833 48.999 50.122 1.00 0.00 N ATOM 242 CA ASP A 16 28.359 48.541 48.804 1.00 0.00 C ATOM 243 C ASP A 16 29.448 48.497 47.712 1.00 0.00 C ATOM 244 O ASP A 16 29.282 47.798 46.710 1.00 0.00 O ATOM 245 CB ASP A 16 27.235 49.479 48.342 1.00 0.00 C ATOM 246 CG ASP A 16 25.981 49.387 49.226 1.00 0.00 C ATOM 247 OD1 ASP A 16 25.170 48.454 49.015 1.00 0.00 O ATOM 248 OD2 ASP A 16 25.787 50.270 50.096 1.00 0.00 O ATOM 0 H ASP A 16 29.316 49.896 50.072 1.00 0.00 H new ATOM 0 HA ASP A 16 28.019 47.514 48.936 1.00 0.00 H new ATOM 0 HB2 ASP A 16 27.601 50.506 48.344 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.967 49.238 47.313 1.00 0.00 H new ATOM 253 N ASP A 17 30.563 49.215 47.888 1.00 0.00 N ATOM 254 CA ASP A 17 31.766 49.056 47.069 1.00 0.00 C ATOM 255 C ASP A 17 32.669 47.919 47.586 1.00 0.00 C ATOM 256 O ASP A 17 32.439 47.345 48.655 1.00 0.00 O ATOM 257 CB ASP A 17 32.497 50.397 46.883 1.00 0.00 C ATOM 258 CG ASP A 17 33.093 51.001 48.160 1.00 0.00 C ATOM 259 OD1 ASP A 17 32.335 51.182 49.142 1.00 0.00 O ATOM 260 OD2 ASP A 17 34.299 51.343 48.142 1.00 0.00 O ATOM 0 H ASP A 17 30.655 49.929 48.610 1.00 0.00 H new ATOM 0 HA ASP A 17 31.458 48.743 46.071 1.00 0.00 H new ATOM 0 HB2 ASP A 17 33.299 50.257 46.158 1.00 0.00 H new ATOM 0 HB3 ASP A 17 31.800 51.115 46.452 1.00 0.00 H new ATOM 265 N LEU A 18 33.674 47.561 46.784 1.00 0.00 N ATOM 266 CA LEU A 18 34.413 46.305 46.894 1.00 0.00 C ATOM 267 C LEU A 18 35.914 46.546 46.975 1.00 0.00 C ATOM 268 O LEU A 18 36.458 47.479 46.385 1.00 0.00 O ATOM 269 CB LEU A 18 34.107 45.399 45.689 1.00 0.00 C ATOM 270 CG LEU A 18 32.619 45.059 45.470 1.00 0.00 C ATOM 271 CD1 LEU A 18 32.496 44.235 44.182 1.00 0.00 C ATOM 272 CD2 LEU A 18 32.016 44.278 46.648 1.00 0.00 C ATOM 0 H LEU A 18 34.003 48.153 46.021 1.00 0.00 H new ATOM 0 HA LEU A 18 34.092 45.815 47.813 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.487 45.882 44.789 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.660 44.467 45.808 1.00 0.00 H new ATOM 0 HG LEU A 18 32.062 45.993 45.392 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.449 43.984 44.009 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.873 44.816 43.341 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.078 43.318 44.280 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.967 44.064 46.444 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.559 43.342 46.780 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.094 44.874 47.557 1.00 0.00 H new ATOM 284 N SER A 19 36.585 45.662 47.698 1.00 0.00 N ATOM 285 CA SER A 19 38.021 45.754 47.947 1.00 0.00 C ATOM 286 C SER A 19 38.814 44.832 47.034 1.00 0.00 C ATOM 287 O SER A 19 38.342 43.757 46.653 1.00 0.00 O ATOM 288 CB SER A 19 38.304 45.388 49.394 1.00 0.00 C ATOM 289 OG SER A 19 37.479 46.197 50.191 1.00 0.00 O ATOM 0 H SER A 19 36.146 44.851 48.134 1.00 0.00 H new ATOM 0 HA SER A 19 38.331 46.779 47.743 1.00 0.00 H new ATOM 0 HB2 SER A 19 38.097 44.333 49.572 1.00 0.00 H new ATOM 0 HB3 SER A 19 39.354 45.552 49.635 1.00 0.00 H new ATOM 0 HG SER A 19 37.904 46.339 51.063 1.00 0.00 H new ATOM 295 N PHE A 20 40.046 45.233 46.714 1.00 0.00 N ATOM 296 CA PHE A 20 40.892 44.494 45.795 1.00 0.00 C ATOM 297 C PHE A 20 42.383 44.704 46.070 1.00 0.00 C ATOM 298 O PHE A 20 42.812 45.577 46.823 1.00 0.00 O ATOM 299 CB PHE A 20 40.482 44.811 44.344 1.00 0.00 C ATOM 300 CG PHE A 20 40.459 46.271 43.922 1.00 0.00 C ATOM 301 CD1 PHE A 20 41.663 46.929 43.613 1.00 0.00 C ATOM 302 CD2 PHE A 20 39.236 46.947 43.746 1.00 0.00 C ATOM 303 CE1 PHE A 20 41.645 48.243 43.110 1.00 0.00 C ATOM 304 CE2 PHE A 20 39.219 48.266 43.258 1.00 0.00 C ATOM 305 CZ PHE A 20 40.423 48.911 42.929 1.00 0.00 C ATOM 0 H PHE A 20 40.478 46.078 47.087 1.00 0.00 H new ATOM 0 HA PHE A 20 40.735 43.427 45.956 1.00 0.00 H new ATOM 0 HB2 PHE A 20 41.163 44.280 43.679 1.00 0.00 H new ATOM 0 HB3 PHE A 20 39.487 44.398 44.178 1.00 0.00 H new ATOM 0 HD1 PHE A 20 42.606 46.423 43.762 1.00 0.00 H new ATOM 0 HD2 PHE A 20 38.308 46.451 43.987 1.00 0.00 H new ATOM 0 HE1 PHE A 20 42.572 48.739 42.863 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.279 48.784 43.136 1.00 0.00 H new ATOM 0 HZ PHE A 20 40.409 49.918 42.538 1.00 0.00 H new ATOM 315 N HIS A 21 43.174 43.854 45.437 1.00 0.00 N ATOM 316 CA HIS A 21 44.611 44.000 45.287 1.00 0.00 C ATOM 317 C HIS A 21 44.919 43.972 43.783 1.00 0.00 C ATOM 318 O HIS A 21 44.125 43.470 42.980 1.00 0.00 O ATOM 319 CB HIS A 21 45.330 42.865 46.037 1.00 0.00 C ATOM 320 CG HIS A 21 45.467 43.067 47.530 1.00 0.00 C ATOM 321 ND1 HIS A 21 44.692 43.862 48.342 1.00 0.00 N ATOM 322 CD2 HIS A 21 46.421 42.504 48.334 1.00 0.00 C ATOM 323 CE1 HIS A 21 45.160 43.773 49.595 1.00 0.00 C ATOM 324 NE2 HIS A 21 46.222 42.949 49.647 1.00 0.00 N ATOM 0 H HIS A 21 42.816 43.007 44.995 1.00 0.00 H new ATOM 0 HA HIS A 21 44.964 44.939 45.713 1.00 0.00 H new ATOM 0 HB2 HIS A 21 44.790 41.935 45.860 1.00 0.00 H new ATOM 0 HB3 HIS A 21 46.325 42.742 45.610 1.00 0.00 H new ATOM 0 HD1 HIS A 21 43.896 44.424 48.042 1.00 0.00 H new ATOM 0 HD2 HIS A 21 47.199 41.828 48.010 1.00 0.00 H new ATOM 0 HE1 HIS A 21 44.742 44.291 50.445 1.00 0.00 H new ATOM 332 N LYS A 22 46.083 44.473 43.393 1.00 0.00 N ATOM 333 CA LYS A 22 46.596 44.367 42.030 1.00 0.00 C ATOM 334 C LYS A 22 46.550 42.907 41.529 1.00 0.00 C ATOM 335 O LYS A 22 46.965 41.973 42.224 1.00 0.00 O ATOM 336 CB LYS A 22 48.000 44.991 41.977 1.00 0.00 C ATOM 337 CG LYS A 22 49.021 44.233 42.842 1.00 0.00 C ATOM 338 CD LYS A 22 50.288 45.062 43.067 1.00 0.00 C ATOM 339 CE LYS A 22 51.224 44.395 44.084 1.00 0.00 C ATOM 340 NZ LYS A 22 50.609 44.291 45.433 1.00 0.00 N ATOM 0 H LYS A 22 46.709 44.973 44.024 1.00 0.00 H new ATOM 0 HA LYS A 22 45.960 44.925 41.343 1.00 0.00 H new ATOM 0 HB2 LYS A 22 48.347 45.007 40.944 1.00 0.00 H new ATOM 0 HB3 LYS A 22 47.945 46.027 42.311 1.00 0.00 H new ATOM 0 HG2 LYS A 22 48.572 43.984 43.803 1.00 0.00 H new ATOM 0 HG3 LYS A 22 49.282 43.291 42.359 1.00 0.00 H new ATOM 0 HD2 LYS A 22 50.812 45.192 42.120 1.00 0.00 H new ATOM 0 HD3 LYS A 22 50.015 46.057 43.420 1.00 0.00 H new ATOM 0 HE2 LYS A 22 51.490 43.399 43.731 1.00 0.00 H new ATOM 0 HE3 LYS A 22 52.149 44.967 44.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 51.354 44.144 46.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 50.094 45.168 45.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 49.948 43.488 45.452 1.00 0.00 H new ATOM 354 N GLY A 23 45.994 42.704 40.336 1.00 0.00 N ATOM 355 CA GLY A 23 45.740 41.395 39.725 1.00 0.00 C ATOM 356 C GLY A 23 44.387 40.768 40.087 1.00 0.00 C ATOM 357 O GLY A 23 44.019 39.783 39.446 1.00 0.00 O ATOM 0 H GLY A 23 45.695 43.477 39.742 1.00 0.00 H new ATOM 0 HA2 GLY A 23 45.799 41.498 38.641 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.534 40.710 40.024 1.00 0.00 H new ATOM 361 N GLU A 24 43.621 41.331 41.030 1.00 0.00 N ATOM 362 CA GLU A 24 42.261 40.878 41.343 1.00 0.00 C ATOM 363 C GLU A 24 41.302 41.181 40.185 1.00 0.00 C ATOM 364 O GLU A 24 41.420 42.201 39.498 1.00 0.00 O ATOM 365 CB GLU A 24 41.754 41.514 42.644 1.00 0.00 C ATOM 366 CG GLU A 24 40.436 40.920 43.170 1.00 0.00 C ATOM 367 CD GLU A 24 40.557 39.424 43.509 1.00 0.00 C ATOM 368 OE1 GLU A 24 41.046 39.105 44.618 1.00 0.00 O ATOM 369 OE2 GLU A 24 40.166 38.575 42.671 1.00 0.00 O ATOM 0 H GLU A 24 43.930 42.118 41.600 1.00 0.00 H new ATOM 0 HA GLU A 24 42.295 39.798 41.484 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.520 41.403 43.411 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.618 42.583 42.482 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.125 41.467 44.060 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.655 41.058 42.422 1.00 0.00 H new ATOM 376 N LYS A 25 40.360 40.264 39.965 1.00 0.00 N ATOM 377 CA LYS A 25 39.620 40.141 38.712 1.00 0.00 C ATOM 378 C LYS A 25 38.112 40.341 38.896 1.00 0.00 C ATOM 379 O LYS A 25 37.452 39.652 39.681 1.00 0.00 O ATOM 380 CB LYS A 25 39.927 38.777 38.066 1.00 0.00 C ATOM 381 CG LYS A 25 41.430 38.453 38.048 1.00 0.00 C ATOM 382 CD LYS A 25 41.791 37.394 37.001 1.00 0.00 C ATOM 383 CE LYS A 25 43.138 36.707 37.281 1.00 0.00 C ATOM 384 NZ LYS A 25 44.253 37.658 37.509 1.00 0.00 N ATOM 0 H LYS A 25 40.086 39.575 40.665 1.00 0.00 H new ATOM 0 HA LYS A 25 39.951 40.939 38.047 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.398 37.995 38.610 1.00 0.00 H new ATOM 0 HB3 LYS A 25 39.546 38.769 37.045 1.00 0.00 H new ATOM 0 HG2 LYS A 25 41.992 39.365 37.846 1.00 0.00 H new ATOM 0 HG3 LYS A 25 41.734 38.102 39.034 1.00 0.00 H new ATOM 0 HD2 LYS A 25 41.005 36.640 36.969 1.00 0.00 H new ATOM 0 HD3 LYS A 25 41.825 37.861 36.017 1.00 0.00 H new ATOM 0 HE2 LYS A 25 43.034 36.065 38.156 1.00 0.00 H new ATOM 0 HE3 LYS A 25 43.389 36.061 36.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 45.118 37.129 37.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 44.411 38.220 36.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 44.013 38.292 38.297 1.00 0.00 H new ATOM 398 N PHE A 26 37.560 41.261 38.112 1.00 0.00 N ATOM 399 CA PHE A 26 36.148 41.618 38.061 1.00 0.00 C ATOM 400 C PHE A 26 35.606 41.494 36.632 1.00 0.00 C ATOM 401 O PHE A 26 36.350 41.392 35.659 1.00 0.00 O ATOM 402 CB PHE A 26 35.986 43.059 38.585 1.00 0.00 C ATOM 403 CG PHE A 26 36.414 43.248 40.027 1.00 0.00 C ATOM 404 CD1 PHE A 26 35.483 43.061 41.066 1.00 0.00 C ATOM 405 CD2 PHE A 26 37.747 43.588 40.334 1.00 0.00 C ATOM 406 CE1 PHE A 26 35.890 43.184 42.406 1.00 0.00 C ATOM 407 CE2 PHE A 26 38.151 43.714 41.673 1.00 0.00 C ATOM 408 CZ PHE A 26 37.223 43.504 42.710 1.00 0.00 C ATOM 0 H PHE A 26 38.119 41.809 37.458 1.00 0.00 H new ATOM 0 HA PHE A 26 35.575 40.934 38.687 1.00 0.00 H new ATOM 0 HB2 PHE A 26 36.568 43.731 37.954 1.00 0.00 H new ATOM 0 HB3 PHE A 26 34.941 43.354 38.486 1.00 0.00 H new ATOM 0 HD1 PHE A 26 34.456 42.823 40.834 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.459 43.752 39.538 1.00 0.00 H new ATOM 0 HE1 PHE A 26 35.177 43.032 43.203 1.00 0.00 H new ATOM 0 HE2 PHE A 26 39.173 43.972 41.907 1.00 0.00 H new ATOM 0 HZ PHE A 26 37.536 43.589 43.740 1.00 0.00 H new ATOM 418 N GLN A 27 34.290 41.602 36.515 1.00 0.00 N ATOM 419 CA GLN A 27 33.542 41.788 35.283 1.00 0.00 C ATOM 420 C GLN A 27 32.643 43.016 35.435 1.00 0.00 C ATOM 421 O GLN A 27 32.191 43.332 36.537 1.00 0.00 O ATOM 422 CB GLN A 27 32.743 40.509 34.978 1.00 0.00 C ATOM 423 CG GLN A 27 31.547 40.302 35.929 1.00 0.00 C ATOM 424 CD GLN A 27 31.175 38.834 36.124 1.00 0.00 C ATOM 425 OE1 GLN A 27 30.165 38.350 35.629 1.00 0.00 O ATOM 426 NE2 GLN A 27 31.927 38.085 36.903 1.00 0.00 N ATOM 0 H GLN A 27 33.679 41.559 37.331 1.00 0.00 H new ATOM 0 HA GLN A 27 34.209 41.964 34.439 1.00 0.00 H new ATOM 0 HB2 GLN A 27 32.380 40.551 33.951 1.00 0.00 H new ATOM 0 HB3 GLN A 27 33.407 39.648 35.047 1.00 0.00 H new ATOM 0 HG2 GLN A 27 31.783 40.741 36.898 1.00 0.00 H new ATOM 0 HG3 GLN A 27 30.683 40.839 35.537 1.00 0.00 H new ATOM 0 HE21 GLN A 27 32.772 38.473 37.323 1.00 0.00 H new ATOM 0 HE22 GLN A 27 31.665 37.116 37.087 1.00 0.00 H new ATOM 435 N ILE A 28 32.376 43.704 34.331 1.00 0.00 N ATOM 436 CA ILE A 28 31.576 44.927 34.290 1.00 0.00 C ATOM 437 C ILE A 28 30.147 44.561 33.878 1.00 0.00 C ATOM 438 O ILE A 28 29.907 44.136 32.739 1.00 0.00 O ATOM 439 CB ILE A 28 32.218 45.966 33.341 1.00 0.00 C ATOM 440 CG1 ILE A 28 33.747 46.141 33.527 1.00 0.00 C ATOM 441 CG2 ILE A 28 31.499 47.321 33.492 1.00 0.00 C ATOM 442 CD1 ILE A 28 34.214 46.407 34.964 1.00 0.00 C ATOM 0 H ILE A 28 32.719 43.420 33.413 1.00 0.00 H new ATOM 0 HA ILE A 28 31.542 45.392 35.275 1.00 0.00 H new ATOM 0 HB ILE A 28 32.091 45.577 32.331 1.00 0.00 H new ATOM 0 HG12 ILE A 28 34.244 45.242 33.163 1.00 0.00 H new ATOM 0 HG13 ILE A 28 34.079 46.966 32.897 1.00 0.00 H new ATOM 0 HG21 ILE A 28 31.954 48.051 32.822 1.00 0.00 H new ATOM 0 HG22 ILE A 28 30.445 47.204 33.239 1.00 0.00 H new ATOM 0 HG23 ILE A 28 31.589 47.668 34.521 1.00 0.00 H new ATOM 0 HD11 ILE A 28 35.299 46.513 34.980 1.00 0.00 H new ATOM 0 HD12 ILE A 28 33.754 47.324 35.332 1.00 0.00 H new ATOM 0 HD13 ILE A 28 33.922 45.573 35.602 1.00 0.00 H new ATOM 454 N LEU A 29 29.209 44.721 34.814 1.00 0.00 N ATOM 455 CA LEU A 29 27.772 44.541 34.603 1.00 0.00 C ATOM 456 C LEU A 29 27.188 45.755 33.866 1.00 0.00 C ATOM 457 O LEU A 29 26.408 45.576 32.930 1.00 0.00 O ATOM 458 CB LEU A 29 27.051 44.345 35.956 1.00 0.00 C ATOM 459 CG LEU A 29 27.567 43.216 36.876 1.00 0.00 C ATOM 460 CD1 LEU A 29 26.719 43.195 38.158 1.00 0.00 C ATOM 461 CD2 LEU A 29 27.512 41.842 36.193 1.00 0.00 C ATOM 0 H LEU A 29 29.437 44.988 35.772 1.00 0.00 H new ATOM 0 HA LEU A 29 27.619 43.651 33.993 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.109 45.283 36.508 1.00 0.00 H new ATOM 0 HB3 LEU A 29 25.996 44.159 35.753 1.00 0.00 H new ATOM 0 HG LEU A 29 28.612 43.418 37.110 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.074 42.402 38.816 1.00 0.00 H new ATOM 0 HD12 LEU A 29 26.806 44.155 38.667 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.675 43.014 37.901 1.00 0.00 H new ATOM 0 HD21 LEU A 29 27.884 41.080 36.878 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.482 41.612 35.920 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.130 41.857 35.296 1.00 0.00 H new ATOM 473 N ASN A 30 27.589 46.973 34.263 1.00 0.00 N ATOM 474 CA ASN A 30 27.183 48.253 33.671 1.00 0.00 C ATOM 475 C ASN A 30 28.072 49.438 34.140 1.00 0.00 C ATOM 476 O ASN A 30 28.599 49.463 35.255 1.00 0.00 O ATOM 477 CB ASN A 30 25.682 48.507 33.932 1.00 0.00 C ATOM 478 CG ASN A 30 25.115 49.669 33.116 1.00 0.00 C ATOM 479 OD1 ASN A 30 25.627 50.034 32.063 1.00 0.00 O ATOM 480 ND2 ASN A 30 24.030 50.273 33.566 1.00 0.00 N ATOM 0 H ASN A 30 28.236 47.095 35.042 1.00 0.00 H new ATOM 0 HA ASN A 30 27.335 48.185 32.594 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.122 47.601 33.700 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.534 48.710 34.993 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.618 51.042 33.038 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.604 49.970 34.442 1.00 0.00 H new ATOM 487 N SER A 31 28.234 50.441 33.277 1.00 0.00 N ATOM 488 CA SER A 31 29.139 51.602 33.410 1.00 0.00 C ATOM 489 C SER A 31 28.448 52.833 34.031 1.00 0.00 C ATOM 490 O SER A 31 28.464 53.948 33.513 1.00 0.00 O ATOM 491 CB SER A 31 29.708 51.940 32.033 1.00 0.00 C ATOM 492 OG SER A 31 30.395 50.812 31.525 1.00 0.00 O ATOM 0 H SER A 31 27.705 50.474 32.406 1.00 0.00 H new ATOM 0 HA SER A 31 29.941 51.329 34.096 1.00 0.00 H new ATOM 0 HB2 SER A 31 28.905 52.228 31.355 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.385 52.791 32.105 1.00 0.00 H new ATOM 0 HG SER A 31 30.761 51.023 30.641 1.00 0.00 H new ATOM 498 N SER A 32 27.752 52.595 35.128 1.00 0.00 N ATOM 499 CA SER A 32 26.440 53.174 35.435 1.00 0.00 C ATOM 500 C SER A 32 26.470 54.628 35.893 1.00 0.00 C ATOM 501 O SER A 32 25.761 55.471 35.340 1.00 0.00 O ATOM 502 CB SER A 32 25.839 52.289 36.524 1.00 0.00 C ATOM 503 OG SER A 32 26.141 50.954 36.186 1.00 0.00 O ATOM 0 H SER A 32 28.090 51.972 35.861 1.00 0.00 H new ATOM 0 HA SER A 32 25.848 53.198 34.520 1.00 0.00 H new ATOM 0 HB2 SER A 32 26.254 52.543 37.499 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.761 52.436 36.588 1.00 0.00 H new ATOM 0 HG SER A 32 25.415 50.368 36.487 1.00 0.00 H new ATOM 509 N GLU A 33 27.322 54.924 36.877 1.00 0.00 N ATOM 510 CA GLU A 33 27.609 56.283 37.332 1.00 0.00 C ATOM 511 C GLU A 33 28.797 56.886 36.550 1.00 0.00 C ATOM 512 O GLU A 33 29.178 58.032 36.792 1.00 0.00 O ATOM 513 CB GLU A 33 27.897 56.277 38.848 1.00 0.00 C ATOM 514 CG GLU A 33 26.887 55.494 39.708 1.00 0.00 C ATOM 515 CD GLU A 33 25.457 56.052 39.613 1.00 0.00 C ATOM 516 OE1 GLU A 33 25.191 57.124 40.204 1.00 0.00 O ATOM 517 OE2 GLU A 33 24.589 55.409 38.979 1.00 0.00 O ATOM 0 H GLU A 33 27.841 54.211 37.389 1.00 0.00 H new ATOM 0 HA GLU A 33 26.736 56.908 37.142 1.00 0.00 H new ATOM 0 HB2 GLU A 33 28.890 55.857 39.011 1.00 0.00 H new ATOM 0 HB3 GLU A 33 27.926 57.308 39.200 1.00 0.00 H new ATOM 0 HG2 GLU A 33 26.885 54.450 39.396 1.00 0.00 H new ATOM 0 HG3 GLU A 33 27.211 55.515 40.749 1.00 0.00 H new ATOM 524 N GLY A 34 29.419 56.106 35.648 1.00 0.00 N ATOM 525 CA GLY A 34 30.621 56.426 34.865 1.00 0.00 C ATOM 526 C GLY A 34 31.906 56.397 35.698 1.00 0.00 C ATOM 527 O GLY A 34 32.890 55.763 35.322 1.00 0.00 O ATOM 0 H GLY A 34 29.069 55.172 35.434 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.712 55.716 34.043 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.505 57.415 34.421 1.00 0.00 H new ATOM 531 N ASP A 35 31.864 57.071 36.842 1.00 0.00 N ATOM 532 CA ASP A 35 32.906 57.176 37.865 1.00 0.00 C ATOM 533 C ASP A 35 32.873 56.000 38.865 1.00 0.00 C ATOM 534 O ASP A 35 33.905 55.640 39.431 1.00 0.00 O ATOM 535 CB ASP A 35 32.676 58.516 38.584 1.00 0.00 C ATOM 536 CG ASP A 35 33.908 59.018 39.349 1.00 0.00 C ATOM 537 OD1 ASP A 35 34.879 59.440 38.680 1.00 0.00 O ATOM 538 OD2 ASP A 35 33.865 59.070 40.601 1.00 0.00 O ATOM 0 H ASP A 35 31.033 57.603 37.102 1.00 0.00 H new ATOM 0 HA ASP A 35 33.891 57.134 37.400 1.00 0.00 H new ATOM 0 HB2 ASP A 35 32.382 59.267 37.851 1.00 0.00 H new ATOM 0 HB3 ASP A 35 31.845 58.408 39.280 1.00 0.00 H new ATOM 543 N TRP A 36 31.695 55.383 39.043 1.00 0.00 N ATOM 544 CA TRP A 36 31.489 54.164 39.831 1.00 0.00 C ATOM 545 C TRP A 36 30.636 53.160 39.039 1.00 0.00 C ATOM 546 O TRP A 36 29.490 53.434 38.673 1.00 0.00 O ATOM 547 CB TRP A 36 30.846 54.501 41.190 1.00 0.00 C ATOM 548 CG TRP A 36 31.694 55.292 42.140 1.00 0.00 C ATOM 549 CD1 TRP A 36 31.883 56.628 42.088 1.00 0.00 C ATOM 550 CD2 TRP A 36 32.477 54.831 43.288 1.00 0.00 C ATOM 551 NE1 TRP A 36 32.733 57.023 43.096 1.00 0.00 N ATOM 552 CE2 TRP A 36 33.125 55.959 43.876 1.00 0.00 C ATOM 553 CE3 TRP A 36 32.707 53.577 43.898 1.00 0.00 C ATOM 554 CZ2 TRP A 36 33.951 55.855 45.005 1.00 0.00 C ATOM 555 CZ3 TRP A 36 33.541 53.458 45.026 1.00 0.00 C ATOM 556 CH2 TRP A 36 34.158 54.592 45.583 1.00 0.00 C ATOM 0 H TRP A 36 30.832 55.733 38.627 1.00 0.00 H new ATOM 0 HA TRP A 36 32.456 53.702 40.029 1.00 0.00 H new ATOM 0 HB2 TRP A 36 29.926 55.056 41.007 1.00 0.00 H new ATOM 0 HB3 TRP A 36 30.563 53.568 41.677 1.00 0.00 H new ATOM 0 HD1 TRP A 36 31.433 57.289 41.362 1.00 0.00 H new ATOM 0 HE1 TRP A 36 33.035 57.986 43.246 1.00 0.00 H new ATOM 0 HE3 TRP A 36 32.235 52.695 43.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 34.421 56.733 45.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 33.708 52.487 45.468 1.00 0.00 H new ATOM 0 HH2 TRP A 36 34.790 54.492 46.453 1.00 0.00 H new ATOM 567 N TRP A 37 31.207 51.992 38.747 1.00 0.00 N ATOM 568 CA TRP A 37 30.578 50.951 37.930 1.00 0.00 C ATOM 569 C TRP A 37 29.931 49.856 38.767 1.00 0.00 C ATOM 570 O TRP A 37 30.440 49.487 39.823 1.00 0.00 O ATOM 571 CB TRP A 37 31.618 50.323 36.998 1.00 0.00 C ATOM 572 CG TRP A 37 32.196 51.214 35.947 1.00 0.00 C ATOM 573 CD1 TRP A 37 31.724 52.426 35.580 1.00 0.00 C ATOM 574 CD2 TRP A 37 33.372 50.981 35.115 1.00 0.00 C ATOM 575 NE1 TRP A 37 32.474 52.917 34.538 1.00 0.00 N ATOM 576 CE2 TRP A 37 33.482 52.053 34.183 1.00 0.00 C ATOM 577 CE3 TRP A 37 34.375 49.991 35.072 1.00 0.00 C ATOM 578 CZ2 TRP A 37 34.483 52.104 33.205 1.00 0.00 C ATOM 579 CZ3 TRP A 37 35.392 50.033 34.099 1.00 0.00 C ATOM 580 CH2 TRP A 37 35.437 51.076 33.157 1.00 0.00 C ATOM 0 H TRP A 37 32.138 51.736 39.077 1.00 0.00 H new ATOM 0 HA TRP A 37 29.789 51.435 37.354 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.436 49.940 37.608 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.160 49.466 36.504 1.00 0.00 H new ATOM 0 HD1 TRP A 37 30.886 52.932 36.036 1.00 0.00 H new ATOM 0 HE1 TRP A 37 32.303 53.814 34.083 1.00 0.00 H new ATOM 0 HE3 TRP A 37 34.363 49.189 35.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 34.520 52.921 32.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 36.144 49.258 34.076 1.00 0.00 H new ATOM 0 HH2 TRP A 37 36.205 51.086 32.398 1.00 0.00 H new ATOM 591 N GLU A 38 28.856 49.278 38.238 1.00 0.00 N ATOM 592 CA GLU A 38 28.287 48.038 38.741 1.00 0.00 C ATOM 593 C GLU A 38 29.098 46.872 38.173 1.00 0.00 C ATOM 594 O GLU A 38 29.157 46.647 36.963 1.00 0.00 O ATOM 595 CB GLU A 38 26.806 47.935 38.376 1.00 0.00 C ATOM 596 CG GLU A 38 25.971 48.929 39.190 1.00 0.00 C ATOM 597 CD GLU A 38 24.536 48.966 38.666 1.00 0.00 C ATOM 598 OE1 GLU A 38 24.316 49.644 37.634 1.00 0.00 O ATOM 599 OE2 GLU A 38 23.650 48.312 39.265 1.00 0.00 O ATOM 0 H GLU A 38 28.352 49.664 37.439 1.00 0.00 H new ATOM 0 HA GLU A 38 28.341 48.012 39.829 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.675 48.130 37.312 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.452 46.921 38.560 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.975 48.643 40.242 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.414 49.923 39.129 1.00 0.00 H new ATOM 606 N VAL A 39 29.759 46.172 39.083 1.00 0.00 N ATOM 607 CA VAL A 39 30.665 45.059 38.816 1.00 0.00 C ATOM 608 C VAL A 39 30.261 43.818 39.609 1.00 0.00 C ATOM 609 O VAL A 39 29.417 43.854 40.506 1.00 0.00 O ATOM 610 CB VAL A 39 32.151 45.422 39.080 1.00 0.00 C ATOM 611 CG1 VAL A 39 32.579 46.652 38.262 1.00 0.00 C ATOM 612 CG2 VAL A 39 32.482 45.620 40.570 1.00 0.00 C ATOM 0 H VAL A 39 29.675 46.373 40.079 1.00 0.00 H new ATOM 0 HA VAL A 39 30.577 44.835 37.753 1.00 0.00 H new ATOM 0 HB VAL A 39 32.728 44.558 38.749 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.624 46.881 38.469 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.457 46.443 37.199 1.00 0.00 H new ATOM 0 HG13 VAL A 39 31.959 47.506 38.537 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.537 45.871 40.678 1.00 0.00 H new ATOM 0 HG22 VAL A 39 31.873 46.429 40.974 1.00 0.00 H new ATOM 0 HG23 VAL A 39 32.270 44.700 41.115 1.00 0.00 H new ATOM 622 N ARG A 40 30.953 42.729 39.299 1.00 0.00 N ATOM 623 CA ARG A 40 30.926 41.460 40.000 1.00 0.00 C ATOM 624 C ARG A 40 32.335 40.874 39.939 1.00 0.00 C ATOM 625 O ARG A 40 33.011 40.938 38.916 1.00 0.00 O ATOM 626 CB ARG A 40 29.841 40.570 39.364 1.00 0.00 C ATOM 627 CG ARG A 40 29.713 39.182 40.005 1.00 0.00 C ATOM 628 CD ARG A 40 28.432 38.459 39.559 1.00 0.00 C ATOM 629 NE ARG A 40 28.360 38.237 38.102 1.00 0.00 N ATOM 630 CZ ARG A 40 27.263 37.965 37.402 1.00 0.00 C ATOM 631 NH1 ARG A 40 26.080 37.823 37.966 1.00 0.00 N ATOM 632 NH2 ARG A 40 27.350 37.830 36.097 1.00 0.00 N ATOM 0 H ARG A 40 31.587 42.712 38.500 1.00 0.00 H new ATOM 0 HA ARG A 40 30.660 41.557 41.052 1.00 0.00 H new ATOM 0 HB2 ARG A 40 28.881 41.081 39.434 1.00 0.00 H new ATOM 0 HB3 ARG A 40 30.061 40.449 38.303 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.581 38.579 39.740 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.714 39.282 41.090 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.370 37.498 40.069 1.00 0.00 H new ATOM 0 HD3 ARG A 40 27.567 39.042 39.873 1.00 0.00 H new ATOM 0 HE ARG A 40 29.236 38.298 37.582 1.00 0.00 H new ATOM 0 HH11 ARG A 40 25.982 37.922 38.976 1.00 0.00 H new ATOM 0 HH12 ARG A 40 25.263 37.614 37.392 1.00 0.00 H new ATOM 0 HH21 ARG A 40 28.252 37.934 35.633 1.00 0.00 H new ATOM 0 HH22 ARG A 40 26.515 37.621 35.549 1.00 0.00 H new ATOM 646 N SER A 41 32.834 40.346 41.034 1.00 0.00 N ATOM 647 CA SER A 41 34.111 39.640 41.071 1.00 0.00 C ATOM 648 C SER A 41 34.036 38.321 40.280 1.00 0.00 C ATOM 649 O SER A 41 33.029 37.610 40.295 1.00 0.00 O ATOM 650 CB SER A 41 34.473 39.373 42.527 1.00 0.00 C ATOM 651 OG SER A 41 33.410 38.655 43.110 1.00 0.00 O ATOM 0 H SER A 41 32.365 40.391 41.939 1.00 0.00 H new ATOM 0 HA SER A 41 34.880 40.255 40.604 1.00 0.00 H new ATOM 0 HB2 SER A 41 35.400 38.803 42.592 1.00 0.00 H new ATOM 0 HB3 SER A 41 34.637 40.311 43.058 1.00 0.00 H new ATOM 0 HG SER A 41 33.763 38.036 43.783 1.00 0.00 H new ATOM 657 N LEU A 42 35.125 37.966 39.601 1.00 0.00 N ATOM 658 CA LEU A 42 35.246 36.695 38.884 1.00 0.00 C ATOM 659 C LEU A 42 35.551 35.538 39.851 1.00 0.00 C ATOM 660 O LEU A 42 34.982 34.453 39.725 1.00 0.00 O ATOM 661 CB LEU A 42 36.325 36.865 37.802 1.00 0.00 C ATOM 662 CG LEU A 42 36.424 35.679 36.825 1.00 0.00 C ATOM 663 CD1 LEU A 42 35.143 35.512 35.990 1.00 0.00 C ATOM 664 CD2 LEU A 42 37.623 35.897 35.893 1.00 0.00 C ATOM 0 H LEU A 42 35.955 38.555 39.531 1.00 0.00 H new ATOM 0 HA LEU A 42 34.302 36.433 38.405 1.00 0.00 H new ATOM 0 HB2 LEU A 42 36.117 37.773 37.236 1.00 0.00 H new ATOM 0 HB3 LEU A 42 37.291 37.006 38.286 1.00 0.00 H new ATOM 0 HG LEU A 42 36.555 34.768 37.409 1.00 0.00 H new ATOM 0 HD11 LEU A 42 35.257 34.664 35.315 1.00 0.00 H new ATOM 0 HD12 LEU A 42 34.296 35.336 36.654 1.00 0.00 H new ATOM 0 HD13 LEU A 42 34.967 36.417 35.409 1.00 0.00 H new ATOM 0 HD21 LEU A 42 37.700 35.061 35.198 1.00 0.00 H new ATOM 0 HD22 LEU A 42 37.486 36.823 35.334 1.00 0.00 H new ATOM 0 HD23 LEU A 42 38.536 35.962 36.484 1.00 0.00 H new ATOM 676 N THR A 43 36.431 35.802 40.824 1.00 0.00 N ATOM 677 CA THR A 43 36.933 34.875 41.855 1.00 0.00 C ATOM 678 C THR A 43 35.825 34.191 42.650 1.00 0.00 C ATOM 679 O THR A 43 35.889 32.976 42.839 1.00 0.00 O ATOM 680 CB THR A 43 37.901 35.672 42.733 1.00 0.00 C ATOM 681 OG1 THR A 43 39.008 35.871 41.895 1.00 0.00 O ATOM 682 CG2 THR A 43 38.386 35.009 44.021 1.00 0.00 C ATOM 0 H THR A 43 36.841 36.731 40.922 1.00 0.00 H new ATOM 0 HA THR A 43 37.451 34.040 41.384 1.00 0.00 H new ATOM 0 HB THR A 43 37.382 36.561 43.092 1.00 0.00 H new ATOM 0 HG1 THR A 43 39.432 36.727 42.111 1.00 0.00 H new ATOM 0 HG21 THR A 43 39.064 35.683 44.544 1.00 0.00 H new ATOM 0 HG22 THR A 43 37.531 34.787 44.660 1.00 0.00 H new ATOM 0 HG23 THR A 43 38.909 34.084 43.779 1.00 0.00 H new ATOM 690 N THR A 44 34.817 34.946 43.096 1.00 0.00 N ATOM 691 CA THR A 44 33.725 34.477 43.971 1.00 0.00 C ATOM 692 C THR A 44 32.325 34.648 43.378 1.00 0.00 C ATOM 693 O THR A 44 31.482 33.778 43.594 1.00 0.00 O ATOM 694 CB THR A 44 33.753 35.286 45.264 1.00 0.00 C ATOM 695 OG1 THR A 44 33.921 36.627 44.881 1.00 0.00 O ATOM 696 CG2 THR A 44 34.875 34.892 46.228 1.00 0.00 C ATOM 0 H THR A 44 34.731 35.933 42.853 1.00 0.00 H new ATOM 0 HA THR A 44 33.899 33.411 44.119 1.00 0.00 H new ATOM 0 HB THR A 44 32.827 35.101 45.808 1.00 0.00 H new ATOM 0 HG1 THR A 44 33.888 37.201 45.675 1.00 0.00 H new ATOM 0 HG21 THR A 44 34.823 35.515 47.121 1.00 0.00 H new ATOM 0 HG22 THR A 44 34.762 33.845 46.509 1.00 0.00 H new ATOM 0 HG23 THR A 44 35.840 35.035 45.741 1.00 0.00 H new ATOM 704 N GLY A 45 32.055 35.758 42.680 1.00 0.00 N ATOM 705 CA GLY A 45 30.710 36.168 42.247 1.00 0.00 C ATOM 706 C GLY A 45 29.997 37.117 43.222 1.00 0.00 C ATOM 707 O GLY A 45 28.768 37.191 43.209 1.00 0.00 O ATOM 0 H GLY A 45 32.782 36.413 42.393 1.00 0.00 H new ATOM 0 HA2 GLY A 45 30.786 36.654 41.274 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.097 35.277 42.111 1.00 0.00 H new ATOM 711 N GLU A 46 30.745 37.849 44.050 1.00 0.00 N ATOM 712 CA GLU A 46 30.243 38.960 44.869 1.00 0.00 C ATOM 713 C GLU A 46 29.980 40.181 43.972 1.00 0.00 C ATOM 714 O GLU A 46 30.813 40.516 43.126 1.00 0.00 O ATOM 715 CB GLU A 46 31.264 39.330 45.957 1.00 0.00 C ATOM 716 CG GLU A 46 31.435 38.239 47.022 1.00 0.00 C ATOM 717 CD GLU A 46 32.753 38.434 47.778 1.00 0.00 C ATOM 718 OE1 GLU A 46 33.795 37.980 47.248 1.00 0.00 O ATOM 719 OE2 GLU A 46 32.744 39.033 48.879 1.00 0.00 O ATOM 0 H GLU A 46 31.744 37.683 44.174 1.00 0.00 H new ATOM 0 HA GLU A 46 29.315 38.651 45.350 1.00 0.00 H new ATOM 0 HB2 GLU A 46 32.229 39.526 45.489 1.00 0.00 H new ATOM 0 HB3 GLU A 46 30.950 40.255 46.441 1.00 0.00 H new ATOM 0 HG2 GLU A 46 30.599 38.270 47.721 1.00 0.00 H new ATOM 0 HG3 GLU A 46 31.420 37.256 46.551 1.00 0.00 H new ATOM 726 N THR A 47 28.832 40.845 44.157 1.00 0.00 N ATOM 727 CA THR A 47 28.378 42.000 43.359 1.00 0.00 C ATOM 728 C THR A 47 28.499 43.284 44.174 1.00 0.00 C ATOM 729 O THR A 47 28.339 43.271 45.395 1.00 0.00 O ATOM 730 CB THR A 47 26.932 41.781 42.891 1.00 0.00 C ATOM 731 OG1 THR A 47 26.930 40.715 41.974 1.00 0.00 O ATOM 732 CG2 THR A 47 26.289 42.973 42.178 1.00 0.00 C ATOM 0 H THR A 47 28.170 40.588 44.889 1.00 0.00 H new ATOM 0 HA THR A 47 29.012 42.096 42.478 1.00 0.00 H new ATOM 0 HB THR A 47 26.353 41.599 43.796 1.00 0.00 H new ATOM 0 HG1 THR A 47 26.015 40.554 41.661 1.00 0.00 H new ATOM 0 HG21 THR A 47 25.270 42.717 41.888 1.00 0.00 H new ATOM 0 HG22 THR A 47 26.270 43.832 42.849 1.00 0.00 H new ATOM 0 HG23 THR A 47 26.868 43.220 41.288 1.00 0.00 H new ATOM 740 N GLY A 48 28.739 44.397 43.478 1.00 0.00 N ATOM 741 CA GLY A 48 28.776 45.742 44.044 1.00 0.00 C ATOM 742 C GLY A 48 29.395 46.782 43.115 1.00 0.00 C ATOM 743 O GLY A 48 29.326 46.684 41.887 1.00 0.00 O ATOM 0 H GLY A 48 28.918 44.384 42.474 1.00 0.00 H new ATOM 0 HA2 GLY A 48 27.761 46.050 44.294 1.00 0.00 H new ATOM 0 HA3 GLY A 48 29.340 45.719 44.976 1.00 0.00 H new ATOM 747 N TYR A 49 29.980 47.800 43.736 1.00 0.00 N ATOM 748 CA TYR A 49 30.624 48.945 43.093 1.00 0.00 C ATOM 749 C TYR A 49 32.159 48.935 43.238 1.00 0.00 C ATOM 750 O TYR A 49 32.720 48.194 44.040 1.00 0.00 O ATOM 751 CB TYR A 49 30.025 50.226 43.693 1.00 0.00 C ATOM 752 CG TYR A 49 28.678 50.592 43.107 1.00 0.00 C ATOM 753 CD1 TYR A 49 28.630 51.329 41.909 1.00 0.00 C ATOM 754 CD2 TYR A 49 27.484 50.206 43.744 1.00 0.00 C ATOM 755 CE1 TYR A 49 27.393 51.708 41.359 1.00 0.00 C ATOM 756 CE2 TYR A 49 26.240 50.574 43.195 1.00 0.00 C ATOM 757 CZ TYR A 49 26.194 51.334 42.004 1.00 0.00 C ATOM 758 OH TYR A 49 25.002 51.710 41.468 1.00 0.00 O ATOM 0 H TYR A 49 30.021 47.854 44.754 1.00 0.00 H new ATOM 0 HA TYR A 49 30.432 48.893 42.021 1.00 0.00 H new ATOM 0 HB2 TYR A 49 29.922 50.100 44.771 1.00 0.00 H new ATOM 0 HB3 TYR A 49 30.719 51.052 43.534 1.00 0.00 H new ATOM 0 HD1 TYR A 49 29.547 51.605 41.410 1.00 0.00 H new ATOM 0 HD2 TYR A 49 27.521 49.627 44.655 1.00 0.00 H new ATOM 0 HE1 TYR A 49 27.360 52.284 40.446 1.00 0.00 H new ATOM 0 HE2 TYR A 49 25.324 50.276 43.683 1.00 0.00 H new ATOM 0 HH TYR A 49 24.271 51.375 42.028 1.00 0.00 H new ATOM 768 N ILE A 50 32.834 49.825 42.506 1.00 0.00 N ATOM 769 CA ILE A 50 34.283 50.097 42.552 1.00 0.00 C ATOM 770 C ILE A 50 34.558 51.525 42.028 1.00 0.00 C ATOM 771 O ILE A 50 33.720 52.043 41.282 1.00 0.00 O ATOM 772 CB ILE A 50 35.111 49.043 41.763 1.00 0.00 C ATOM 773 CG1 ILE A 50 34.541 48.637 40.386 1.00 0.00 C ATOM 774 CG2 ILE A 50 35.347 47.760 42.581 1.00 0.00 C ATOM 775 CD1 ILE A 50 34.589 49.735 39.318 1.00 0.00 C ATOM 0 H ILE A 50 32.359 50.414 41.822 1.00 0.00 H new ATOM 0 HA ILE A 50 34.605 50.024 43.591 1.00 0.00 H new ATOM 0 HB ILE A 50 36.049 49.567 41.579 1.00 0.00 H new ATOM 0 HG12 ILE A 50 35.094 47.771 40.021 1.00 0.00 H new ATOM 0 HG13 ILE A 50 33.506 48.322 40.516 1.00 0.00 H new ATOM 0 HG21 ILE A 50 35.929 47.053 41.990 1.00 0.00 H new ATOM 0 HG22 ILE A 50 35.891 48.005 43.493 1.00 0.00 H new ATOM 0 HG23 ILE A 50 34.388 47.312 42.840 1.00 0.00 H new ATOM 0 HD11 ILE A 50 34.167 49.356 38.387 1.00 0.00 H new ATOM 0 HD12 ILE A 50 34.011 50.595 39.654 1.00 0.00 H new ATOM 0 HD13 ILE A 50 35.623 50.036 39.152 1.00 0.00 H new ATOM 787 N PRO A 51 35.686 52.168 42.395 1.00 0.00 N ATOM 788 CA PRO A 51 36.121 53.425 41.796 1.00 0.00 C ATOM 789 C PRO A 51 36.793 53.156 40.445 1.00 0.00 C ATOM 790 O PRO A 51 37.935 52.708 40.353 1.00 0.00 O ATOM 791 CB PRO A 51 37.073 54.056 42.812 1.00 0.00 C ATOM 792 CG PRO A 51 37.693 52.843 43.505 1.00 0.00 C ATOM 793 CD PRO A 51 36.554 51.821 43.513 1.00 0.00 C ATOM 0 HA PRO A 51 35.293 54.102 41.586 1.00 0.00 H new ATOM 0 HB2 PRO A 51 37.829 54.673 42.327 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.543 54.696 43.517 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.563 52.471 42.963 1.00 0.00 H new ATOM 0 HG3 PRO A 51 38.025 53.083 44.515 1.00 0.00 H new ATOM 0 HD2 PRO A 51 36.940 50.807 43.405 1.00 0.00 H new ATOM 0 HD3 PRO A 51 36.007 51.855 44.455 1.00 0.00 H new ATOM 801 N SER A 52 36.046 53.400 39.379 1.00 0.00 N ATOM 802 CA SER A 52 36.401 53.119 37.988 1.00 0.00 C ATOM 803 C SER A 52 37.690 53.816 37.504 1.00 0.00 C ATOM 804 O SER A 52 38.503 53.133 36.869 1.00 0.00 O ATOM 805 CB SER A 52 35.192 53.443 37.097 1.00 0.00 C ATOM 806 OG SER A 52 34.037 52.866 37.675 1.00 0.00 O ATOM 0 H SER A 52 35.122 53.824 39.462 1.00 0.00 H new ATOM 0 HA SER A 52 36.642 52.058 37.917 1.00 0.00 H new ATOM 0 HB2 SER A 52 35.069 54.522 37.004 1.00 0.00 H new ATOM 0 HB3 SER A 52 35.348 53.052 36.092 1.00 0.00 H new ATOM 0 HG SER A 52 33.387 52.661 36.971 1.00 0.00 H new ATOM 812 N PRO A 53 37.943 55.110 37.822 1.00 0.00 N ATOM 813 CA PRO A 53 39.193 55.793 37.471 1.00 0.00 C ATOM 814 C PRO A 53 40.464 55.196 38.099 1.00 0.00 C ATOM 815 O PRO A 53 41.551 55.390 37.557 1.00 0.00 O ATOM 816 CB PRO A 53 39.027 57.245 37.936 1.00 0.00 C ATOM 817 CG PRO A 53 37.521 57.449 38.011 1.00 0.00 C ATOM 818 CD PRO A 53 37.011 56.071 38.410 1.00 0.00 C ATOM 0 HA PRO A 53 39.344 55.688 36.397 1.00 0.00 H new ATOM 0 HB2 PRO A 53 39.499 57.408 38.905 1.00 0.00 H new ATOM 0 HB3 PRO A 53 39.488 57.942 37.236 1.00 0.00 H new ATOM 0 HG2 PRO A 53 37.252 58.208 38.746 1.00 0.00 H new ATOM 0 HG3 PRO A 53 37.109 57.771 37.055 1.00 0.00 H new ATOM 0 HD2 PRO A 53 36.976 55.967 39.494 1.00 0.00 H new ATOM 0 HD3 PRO A 53 35.998 55.908 38.041 1.00 0.00 H new ATOM 826 N TYR A 54 40.345 54.469 39.218 1.00 0.00 N ATOM 827 CA TYR A 54 41.489 53.945 39.981 1.00 0.00 C ATOM 828 C TYR A 54 41.741 52.450 39.726 1.00 0.00 C ATOM 829 O TYR A 54 42.892 52.010 39.682 1.00 0.00 O ATOM 830 CB TYR A 54 41.241 54.212 41.473 1.00 0.00 C ATOM 831 CG TYR A 54 42.408 53.827 42.361 1.00 0.00 C ATOM 832 CD1 TYR A 54 43.554 54.645 42.396 1.00 0.00 C ATOM 833 CD2 TYR A 54 42.365 52.648 43.132 1.00 0.00 C ATOM 834 CE1 TYR A 54 44.658 54.287 43.190 1.00 0.00 C ATOM 835 CE2 TYR A 54 43.468 52.281 43.926 1.00 0.00 C ATOM 836 CZ TYR A 54 44.618 53.104 43.957 1.00 0.00 C ATOM 837 OH TYR A 54 45.687 52.769 44.725 1.00 0.00 O ATOM 0 H TYR A 54 39.442 54.225 39.625 1.00 0.00 H new ATOM 0 HA TYR A 54 42.390 54.460 39.647 1.00 0.00 H new ATOM 0 HB2 TYR A 54 41.023 55.271 41.613 1.00 0.00 H new ATOM 0 HB3 TYR A 54 40.356 53.660 41.790 1.00 0.00 H new ATOM 0 HD1 TYR A 54 43.585 55.552 41.810 1.00 0.00 H new ATOM 0 HD2 TYR A 54 41.483 52.024 43.114 1.00 0.00 H new ATOM 0 HE1 TYR A 54 45.535 54.917 43.212 1.00 0.00 H new ATOM 0 HE2 TYR A 54 43.436 51.373 44.510 1.00 0.00 H new ATOM 0 HH TYR A 54 45.485 51.953 45.229 1.00 0.00 H new ATOM 847 N LEU A 55 40.667 51.670 39.570 1.00 0.00 N ATOM 848 CA LEU A 55 40.703 50.286 39.087 1.00 0.00 C ATOM 849 C LEU A 55 41.483 50.186 37.763 1.00 0.00 C ATOM 850 O LEU A 55 42.374 49.347 37.629 1.00 0.00 O ATOM 851 CB LEU A 55 39.243 49.817 38.930 1.00 0.00 C ATOM 852 CG LEU A 55 39.080 48.319 38.605 1.00 0.00 C ATOM 853 CD1 LEU A 55 39.414 47.442 39.818 1.00 0.00 C ATOM 854 CD2 LEU A 55 37.626 48.059 38.195 1.00 0.00 C ATOM 0 H LEU A 55 39.723 51.993 39.782 1.00 0.00 H new ATOM 0 HA LEU A 55 41.224 49.642 39.795 1.00 0.00 H new ATOM 0 HB2 LEU A 55 38.704 50.036 39.852 1.00 0.00 H new ATOM 0 HB3 LEU A 55 38.771 50.400 38.139 1.00 0.00 H new ATOM 0 HG LEU A 55 39.767 48.066 37.798 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.288 46.392 39.553 1.00 0.00 H new ATOM 0 HD12 LEU A 55 40.446 47.619 40.122 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.745 47.691 40.642 1.00 0.00 H new ATOM 0 HD21 LEU A 55 37.497 47.002 37.962 1.00 0.00 H new ATOM 0 HD22 LEU A 55 36.962 48.334 39.015 1.00 0.00 H new ATOM 0 HD23 LEU A 55 37.383 48.656 37.316 1.00 0.00 H new ATOM 866 N ALA A 56 41.183 51.097 36.828 1.00 0.00 N ATOM 867 CA ALA A 56 41.830 51.269 35.524 1.00 0.00 C ATOM 868 C ALA A 56 43.107 52.142 35.556 1.00 0.00 C ATOM 869 O ALA A 56 43.308 52.835 36.541 1.00 0.00 O ATOM 870 CB ALA A 56 40.771 51.857 34.579 1.00 0.00 C ATOM 0 H ALA A 56 40.435 51.775 36.973 1.00 0.00 H new ATOM 0 HA ALA A 56 42.187 50.299 35.179 1.00 0.00 H new ATOM 0 HB1 ALA A 56 41.207 52.004 33.591 1.00 0.00 H new ATOM 0 HB2 ALA A 56 39.928 51.170 34.505 1.00 0.00 H new ATOM 0 HB3 ALA A 56 40.426 52.814 34.970 1.00 0.00 H new TER 876 ALA A 56