USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 427 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 Single : A 416 SER OG : rot 180:sc= 0.0855 USER MOD Single : A 417 SER OG : rot 90:sc= 1.31 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 ASN : amide:sc= -0.0604 K(o=-0.06,f=-0.57) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 THR OG1 : rot -95:sc= 0.414 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 GLN : amide:sc= -0.725 K(o=-0.73,f=-1.4) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 84:sc= 0.381 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 TYR OH : rot 180:sc= -0.897! USER MOD Single : A 464 SER OG : rot 180:sc= -0.0188 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -17.869 -0.179 -5.761 1.00 2.43 N ATOM 2 CA GLU A 414 -17.666 0.535 -7.015 1.00 62.24 C ATOM 3 C GLU A 414 -16.920 1.845 -6.781 1.00 64.42 C ATOM 4 O GLU A 414 -15.888 2.103 -7.400 1.00 64.31 O ATOM 5 CB GLU A 414 -19.010 0.815 -7.692 1.00 30.45 C ATOM 6 CG GLU A 414 -19.519 -0.343 -8.535 1.00 14.34 C ATOM 7 CD GLU A 414 -19.499 -0.037 -10.020 1.00 11.25 C ATOM 8 OE1 GLU A 414 -18.399 -0.041 -10.610 1.00 23.42 O ATOM 9 OE2 GLU A 414 -20.583 0.206 -10.591 1.00 42.31 O ATOM 0 HA GLU A 414 -17.062 -0.095 -7.668 1.00 62.24 H new ATOM 0 HB2 GLU A 414 -19.751 1.050 -6.928 1.00 30.45 H new ATOM 0 HB3 GLU A 414 -18.912 1.698 -8.324 1.00 30.45 H new ATOM 0 HG2 GLU A 414 -18.908 -1.225 -8.341 1.00 14.34 H new ATOM 0 HG3 GLU A 414 -20.537 -0.588 -8.232 1.00 14.34 H new ATOM 16 N ALA A 415 -17.451 2.669 -5.885 1.00 43.43 N ATOM 17 CA ALA A 415 -16.836 3.952 -5.567 1.00 24.10 C ATOM 18 C ALA A 415 -15.627 3.771 -4.655 1.00 22.02 C ATOM 19 O ALA A 415 -14.910 4.728 -4.360 1.00 13.24 O ATOM 20 CB ALA A 415 -17.853 4.881 -4.919 1.00 23.52 C ATOM 0 H ALA A 415 -18.306 2.471 -5.366 1.00 43.43 H new ATOM 0 HA ALA A 415 -16.492 4.401 -6.499 1.00 24.10 H new ATOM 0 HB1 ALA A 415 -17.379 5.835 -4.687 1.00 23.52 H new ATOM 0 HB2 ALA A 415 -18.684 5.046 -5.605 1.00 23.52 H new ATOM 0 HB3 ALA A 415 -18.225 4.428 -4.000 1.00 23.52 H new ATOM 26 N SER A 416 -15.406 2.538 -4.211 1.00 0.13 N ATOM 27 CA SER A 416 -14.286 2.232 -3.329 1.00 13.35 C ATOM 28 C SER A 416 -13.010 2.001 -4.131 1.00 2.05 C ATOM 29 O SER A 416 -11.903 2.127 -3.607 1.00 65.10 O ATOM 30 CB SER A 416 -14.600 0.997 -2.481 1.00 1.13 C ATOM 31 OG SER A 416 -15.762 0.337 -2.952 1.00 61.01 O ATOM 0 H SER A 416 -15.988 1.734 -4.448 1.00 0.13 H new ATOM 0 HA SER A 416 -14.130 3.086 -2.670 1.00 13.35 H new ATOM 0 HB2 SER A 416 -13.753 0.311 -2.505 1.00 1.13 H new ATOM 0 HB3 SER A 416 -14.742 1.292 -1.441 1.00 1.13 H new ATOM 0 HG SER A 416 -15.940 -0.449 -2.395 1.00 61.01 H new ATOM 37 N SER A 417 -13.173 1.661 -5.406 1.00 14.13 N ATOM 38 CA SER A 417 -12.034 1.408 -6.281 1.00 72.21 C ATOM 39 C SER A 417 -11.049 2.572 -6.241 1.00 74.04 C ATOM 40 O SER A 417 -9.836 2.374 -6.174 1.00 14.15 O ATOM 41 CB SER A 417 -12.509 1.175 -7.717 1.00 41.44 C ATOM 42 OG SER A 417 -13.723 0.445 -7.740 1.00 73.35 O ATOM 0 H SER A 417 -14.082 1.554 -5.856 1.00 14.13 H new ATOM 0 HA SER A 417 -11.525 0.512 -5.925 1.00 72.21 H new ATOM 0 HB2 SER A 417 -12.648 2.133 -8.218 1.00 41.44 H new ATOM 0 HB3 SER A 417 -11.744 0.633 -8.273 1.00 41.44 H new ATOM 0 HG SER A 417 -14.480 1.067 -7.711 1.00 73.35 H new ATOM 48 N THR A 418 -11.581 3.791 -6.284 1.00 30.44 N ATOM 49 CA THR A 418 -10.750 4.987 -6.254 1.00 65.12 C ATOM 50 C THR A 418 -10.270 5.289 -4.839 1.00 70.50 C ATOM 51 O THR A 418 -9.241 5.936 -4.647 1.00 62.34 O ATOM 52 CB THR A 418 -11.510 6.212 -6.799 1.00 41.33 C ATOM 53 OG1 THR A 418 -12.246 5.850 -7.972 1.00 53.32 O ATOM 54 CG2 THR A 418 -10.548 7.343 -7.127 1.00 45.53 C ATOM 0 H THR A 418 -12.583 3.974 -6.340 1.00 30.44 H new ATOM 0 HA THR A 418 -9.888 4.789 -6.892 1.00 65.12 H new ATOM 0 HB THR A 418 -12.201 6.555 -6.029 1.00 41.33 H new ATOM 0 HG1 THR A 418 -12.727 6.633 -8.311 1.00 53.32 H new ATOM 0 HG21 THR A 418 -11.107 8.197 -7.510 1.00 45.53 H new ATOM 0 HG22 THR A 418 -10.010 7.636 -6.225 1.00 45.53 H new ATOM 0 HG23 THR A 418 -9.836 7.008 -7.881 1.00 45.53 H new ATOM 62 N ALA A 419 -11.022 4.815 -3.851 1.00 61.10 N ATOM 63 CA ALA A 419 -10.671 5.032 -2.453 1.00 54.12 C ATOM 64 C ALA A 419 -9.358 4.340 -2.102 1.00 32.40 C ATOM 65 O ALA A 419 -8.658 4.750 -1.176 1.00 22.54 O ATOM 66 CB ALA A 419 -11.789 4.538 -1.546 1.00 44.34 C ATOM 0 H ALA A 419 -11.878 4.278 -3.993 1.00 61.10 H new ATOM 0 HA ALA A 419 -10.539 6.103 -2.299 1.00 54.12 H new ATOM 0 HB1 ALA A 419 -11.514 4.706 -0.505 1.00 44.34 H new ATOM 0 HB2 ALA A 419 -12.707 5.081 -1.771 1.00 44.34 H new ATOM 0 HB3 ALA A 419 -11.948 3.472 -1.712 1.00 44.34 H new ATOM 72 N ILE A 420 -9.032 3.289 -2.848 1.00 10.35 N ATOM 73 CA ILE A 420 -7.803 2.541 -2.615 1.00 2.41 C ATOM 74 C ILE A 420 -6.607 3.234 -3.259 1.00 31.14 C ATOM 75 O ILE A 420 -5.460 2.997 -2.879 1.00 1.30 O ATOM 76 CB ILE A 420 -7.906 1.105 -3.162 1.00 3.54 C ATOM 77 CG1 ILE A 420 -9.154 0.413 -2.608 1.00 4.22 C ATOM 78 CG2 ILE A 420 -6.655 0.313 -2.809 1.00 54.03 C ATOM 79 CD1 ILE A 420 -9.171 0.315 -1.099 1.00 31.04 C ATOM 0 H ILE A 420 -9.601 2.937 -3.618 1.00 10.35 H new ATOM 0 HA ILE A 420 -7.658 2.500 -1.535 1.00 2.41 H new ATOM 0 HB ILE A 420 -7.990 1.151 -4.248 1.00 3.54 H new ATOM 0 HG12 ILE A 420 -10.038 0.958 -2.939 1.00 4.22 H new ATOM 0 HG13 ILE A 420 -9.221 -0.590 -3.030 1.00 4.22 H new ATOM 0 HG21 ILE A 420 -6.743 -0.700 -3.202 1.00 54.03 H new ATOM 0 HG22 ILE A 420 -5.782 0.798 -3.246 1.00 54.03 H new ATOM 0 HG23 ILE A 420 -6.543 0.273 -1.725 1.00 54.03 H new ATOM 0 HD11 ILE A 420 -10.084 -0.186 -0.777 1.00 31.04 H new ATOM 0 HD12 ILE A 420 -8.306 -0.255 -0.762 1.00 31.04 H new ATOM 0 HD13 ILE A 420 -9.136 1.316 -0.669 1.00 31.04 H new ATOM 91 N ARG A 421 -6.883 4.092 -4.237 1.00 14.43 N ATOM 92 CA ARG A 421 -5.831 4.820 -4.934 1.00 21.15 C ATOM 93 C ARG A 421 -4.975 5.613 -3.950 1.00 24.32 C ATOM 94 O ARG A 421 -3.815 5.920 -4.227 1.00 72.23 O ATOM 95 CB ARG A 421 -6.436 5.763 -5.974 1.00 32.41 C ATOM 96 CG ARG A 421 -5.409 6.380 -6.909 1.00 24.13 C ATOM 97 CD ARG A 421 -5.144 7.837 -6.561 1.00 10.31 C ATOM 98 NE ARG A 421 -6.206 8.717 -7.042 1.00 30.31 N ATOM 99 CZ ARG A 421 -6.403 8.995 -8.326 1.00 60.14 C ATOM 100 NH1 ARG A 421 -5.616 8.465 -9.252 1.00 3.44 N ATOM 101 NH2 ARG A 421 -7.391 9.805 -8.686 1.00 20.41 N ATOM 0 H ARG A 421 -7.827 4.299 -4.564 1.00 14.43 H new ATOM 0 HA ARG A 421 -5.195 4.093 -5.439 1.00 21.15 H new ATOM 0 HB2 ARG A 421 -7.170 5.215 -6.565 1.00 32.41 H new ATOM 0 HB3 ARG A 421 -6.972 6.561 -5.460 1.00 32.41 H new ATOM 0 HG2 ARG A 421 -4.478 5.816 -6.852 1.00 24.13 H new ATOM 0 HG3 ARG A 421 -5.762 6.309 -7.938 1.00 24.13 H new ATOM 0 HD2 ARG A 421 -5.050 7.940 -5.480 1.00 10.31 H new ATOM 0 HD3 ARG A 421 -4.193 8.146 -6.995 1.00 10.31 H new ATOM 0 HE ARG A 421 -6.830 9.141 -6.355 1.00 30.31 H new ATOM 0 HH11 ARG A 421 -4.856 7.841 -8.980 1.00 3.44 H new ATOM 0 HH12 ARG A 421 -5.770 8.681 -10.237 1.00 3.44 H new ATOM 0 HH21 ARG A 421 -7.999 10.214 -7.977 1.00 20.41 H new ATOM 0 HH22 ARG A 421 -7.542 10.018 -9.672 1.00 20.41 H new ATOM 115 N ALA A 422 -5.554 5.942 -2.801 1.00 54.31 N ATOM 116 CA ALA A 422 -4.846 6.698 -1.776 1.00 30.35 C ATOM 117 C ALA A 422 -4.092 5.768 -0.831 1.00 54.30 C ATOM 118 O ALA A 422 -3.064 6.141 -0.265 1.00 54.31 O ATOM 119 CB ALA A 422 -5.817 7.572 -0.997 1.00 73.14 C ATOM 0 H ALA A 422 -6.513 5.696 -2.556 1.00 54.31 H new ATOM 0 HA ALA A 422 -4.117 7.339 -2.272 1.00 30.35 H new ATOM 0 HB1 ALA A 422 -5.273 8.130 -0.235 1.00 73.14 H new ATOM 0 HB2 ALA A 422 -6.306 8.269 -1.678 1.00 73.14 H new ATOM 0 HB3 ALA A 422 -6.569 6.944 -0.519 1.00 73.14 H new ATOM 125 N LEU A 423 -4.611 4.557 -0.663 1.00 14.42 N ATOM 126 CA LEU A 423 -3.987 3.573 0.216 1.00 73.45 C ATOM 127 C LEU A 423 -2.542 3.314 -0.196 1.00 33.44 C ATOM 128 O LEU A 423 -1.628 3.396 0.624 1.00 23.13 O ATOM 129 CB LEU A 423 -4.779 2.264 0.190 1.00 1.41 C ATOM 130 CG LEU A 423 -6.166 2.305 0.834 1.00 42.30 C ATOM 131 CD1 LEU A 423 -6.756 0.907 0.921 1.00 2.33 C ATOM 132 CD2 LEU A 423 -6.094 2.943 2.215 1.00 60.55 C ATOM 0 H LEU A 423 -5.462 4.232 -1.123 1.00 14.42 H new ATOM 0 HA LEU A 423 -3.990 3.973 1.230 1.00 73.45 H new ATOM 0 HB2 LEU A 423 -4.892 1.951 -0.848 1.00 1.41 H new ATOM 0 HB3 LEU A 423 -4.190 1.496 0.692 1.00 1.41 H new ATOM 0 HG LEU A 423 -6.818 2.914 0.208 1.00 42.30 H new ATOM 0 HD11 LEU A 423 -7.743 0.956 1.382 1.00 2.33 H new ATOM 0 HD12 LEU A 423 -6.844 0.486 -0.081 1.00 2.33 H new ATOM 0 HD13 LEU A 423 -6.105 0.274 1.524 1.00 2.33 H new ATOM 0 HD21 LEU A 423 -7.089 2.964 2.658 1.00 60.55 H new ATOM 0 HD22 LEU A 423 -5.426 2.361 2.850 1.00 60.55 H new ATOM 0 HD23 LEU A 423 -5.715 3.961 2.126 1.00 60.55 H new ATOM 144 N VAL A 424 -2.342 3.002 -1.473 1.00 71.04 N ATOM 145 CA VAL A 424 -1.007 2.734 -1.995 1.00 41.40 C ATOM 146 C VAL A 424 -0.088 3.934 -1.793 1.00 51.12 C ATOM 147 O VAL A 424 1.136 3.805 -1.829 1.00 42.04 O ATOM 148 CB VAL A 424 -1.051 2.381 -3.493 1.00 13.12 C ATOM 149 CG1 VAL A 424 0.352 2.126 -4.023 1.00 22.11 C ATOM 150 CG2 VAL A 424 -1.946 1.174 -3.729 1.00 43.31 C ATOM 0 H VAL A 424 -3.088 2.929 -2.165 1.00 71.04 H new ATOM 0 HA VAL A 424 -0.615 1.882 -1.440 1.00 41.40 H new ATOM 0 HB VAL A 424 -1.470 3.228 -4.036 1.00 13.12 H new ATOM 0 HG11 VAL A 424 0.301 1.878 -5.083 1.00 22.11 H new ATOM 0 HG12 VAL A 424 0.960 3.021 -3.888 1.00 22.11 H new ATOM 0 HG13 VAL A 424 0.802 1.296 -3.478 1.00 22.11 H new ATOM 0 HG21 VAL A 424 -1.966 0.938 -4.793 1.00 43.31 H new ATOM 0 HG22 VAL A 424 -1.558 0.319 -3.175 1.00 43.31 H new ATOM 0 HG23 VAL A 424 -2.957 1.398 -3.388 1.00 43.31 H new ATOM 160 N LYS A 425 -0.686 5.101 -1.579 1.00 64.54 N ATOM 161 CA LYS A 425 0.078 6.326 -1.371 1.00 11.21 C ATOM 162 C LYS A 425 0.579 6.415 0.068 1.00 21.41 C ATOM 163 O LYS A 425 1.698 6.862 0.319 1.00 40.31 O ATOM 164 CB LYS A 425 -0.780 7.549 -1.699 1.00 21.52 C ATOM 165 CG LYS A 425 -0.048 8.605 -2.510 1.00 74.31 C ATOM 166 CD LYS A 425 -0.263 8.411 -4.002 1.00 54.25 C ATOM 167 CE LYS A 425 -1.042 9.569 -4.608 1.00 22.14 C ATOM 168 NZ LYS A 425 -2.477 9.540 -4.213 1.00 24.14 N ATOM 0 H LYS A 425 -1.698 5.225 -1.545 1.00 64.54 H new ATOM 0 HA LYS A 425 0.940 6.305 -2.038 1.00 11.21 H new ATOM 0 HB2 LYS A 425 -1.663 7.226 -2.251 1.00 21.52 H new ATOM 0 HB3 LYS A 425 -1.132 7.996 -0.769 1.00 21.52 H new ATOM 0 HG2 LYS A 425 -0.396 9.596 -2.217 1.00 74.31 H new ATOM 0 HG3 LYS A 425 1.018 8.562 -2.287 1.00 74.31 H new ATOM 0 HD2 LYS A 425 0.702 8.319 -4.501 1.00 54.25 H new ATOM 0 HD3 LYS A 425 -0.801 7.479 -4.175 1.00 54.25 H new ATOM 0 HE2 LYS A 425 -0.597 10.512 -4.290 1.00 22.14 H new ATOM 0 HE3 LYS A 425 -0.964 9.530 -5.694 1.00 22.14 H new ATOM 0 HZ1 LYS A 425 -2.973 10.345 -4.646 1.00 24.14 H new ATOM 0 HZ2 LYS A 425 -2.909 8.652 -4.539 1.00 24.14 H new ATOM 0 HZ3 LYS A 425 -2.553 9.603 -3.178 1.00 24.14 H new ATOM 182 N LYS A 426 -0.255 5.985 1.008 1.00 31.21 N ATOM 183 CA LYS A 426 0.103 6.013 2.421 1.00 63.21 C ATOM 184 C LYS A 426 1.423 5.287 2.662 1.00 22.32 C ATOM 185 O LYS A 426 2.184 5.645 3.562 1.00 21.43 O ATOM 186 CB LYS A 426 -1.004 5.375 3.262 1.00 22.41 C ATOM 187 CG LYS A 426 -1.883 6.385 3.980 1.00 25.31 C ATOM 188 CD LYS A 426 -3.324 5.910 4.063 1.00 43.43 C ATOM 189 CE LYS A 426 -4.126 6.741 5.053 1.00 75.54 C ATOM 190 NZ LYS A 426 -5.516 6.984 4.573 1.00 43.13 N ATOM 0 H LYS A 426 -1.185 5.612 0.817 1.00 31.21 H new ATOM 0 HA LYS A 426 0.222 7.055 2.720 1.00 63.21 H new ATOM 0 HB2 LYS A 426 -1.628 4.757 2.617 1.00 22.41 H new ATOM 0 HB3 LYS A 426 -0.552 4.711 3.999 1.00 22.41 H new ATOM 0 HG2 LYS A 426 -1.497 6.556 4.985 1.00 25.31 H new ATOM 0 HG3 LYS A 426 -1.843 7.340 3.457 1.00 25.31 H new ATOM 0 HD2 LYS A 426 -3.786 5.970 3.077 1.00 43.43 H new ATOM 0 HD3 LYS A 426 -3.347 4.862 4.363 1.00 43.43 H new ATOM 0 HE2 LYS A 426 -4.158 6.230 6.015 1.00 75.54 H new ATOM 0 HE3 LYS A 426 -3.626 7.696 5.216 1.00 75.54 H new ATOM 0 HZ1 LYS A 426 -6.031 7.553 5.275 1.00 43.13 H new ATOM 0 HZ2 LYS A 426 -5.486 7.494 3.667 1.00 43.13 H new ATOM 0 HZ3 LYS A 426 -6.002 6.074 4.442 1.00 43.13 H new ATOM 204 N LEU A 427 1.688 4.267 1.854 1.00 60.43 N ATOM 205 CA LEU A 427 2.917 3.491 1.977 1.00 11.23 C ATOM 206 C LEU A 427 4.143 4.382 1.806 1.00 74.11 C ATOM 207 O LEU A 427 5.245 4.025 2.224 1.00 34.04 O ATOM 208 CB LEU A 427 2.941 2.366 0.941 1.00 55.15 C ATOM 209 CG LEU A 427 2.025 1.175 1.223 1.00 55.03 C ATOM 210 CD1 LEU A 427 2.259 0.642 2.629 1.00 73.23 C ATOM 211 CD2 LEU A 427 0.566 1.566 1.036 1.00 41.42 C ATOM 0 H LEU A 427 1.068 3.958 1.106 1.00 60.43 H new ATOM 0 HA LEU A 427 2.943 3.056 2.976 1.00 11.23 H new ATOM 0 HB2 LEU A 427 2.670 2.786 -0.028 1.00 55.15 H new ATOM 0 HB3 LEU A 427 3.964 2.000 0.855 1.00 55.15 H new ATOM 0 HG LEU A 427 2.262 0.384 0.512 1.00 55.03 H new ATOM 0 HD11 LEU A 427 1.598 -0.205 2.812 1.00 73.23 H new ATOM 0 HD12 LEU A 427 3.296 0.321 2.729 1.00 73.23 H new ATOM 0 HD13 LEU A 427 2.051 1.428 3.355 1.00 73.23 H new ATOM 0 HD21 LEU A 427 -0.071 0.705 1.241 1.00 41.42 H new ATOM 0 HD22 LEU A 427 0.315 2.375 1.722 1.00 41.42 H new ATOM 0 HD23 LEU A 427 0.407 1.899 0.010 1.00 41.42 H new ATOM 223 N ILE A 428 3.943 5.542 1.190 1.00 33.21 N ATOM 224 CA ILE A 428 5.032 6.485 0.966 1.00 13.34 C ATOM 225 C ILE A 428 4.726 7.838 1.598 1.00 43.30 C ATOM 226 O ILE A 428 5.599 8.701 1.696 1.00 54.25 O ATOM 227 CB ILE A 428 5.305 6.683 -0.537 1.00 3.32 C ATOM 228 CG1 ILE A 428 5.418 5.328 -1.240 1.00 4.52 C ATOM 229 CG2 ILE A 428 6.574 7.499 -0.741 1.00 15.10 C ATOM 230 CD1 ILE A 428 5.571 5.438 -2.740 1.00 20.35 C ATOM 0 H ILE A 428 3.037 5.851 0.837 1.00 33.21 H new ATOM 0 HA ILE A 428 5.919 6.060 1.435 1.00 13.34 H new ATOM 0 HB ILE A 428 4.470 7.230 -0.975 1.00 3.32 H new ATOM 0 HG12 ILE A 428 6.273 4.787 -0.834 1.00 4.52 H new ATOM 0 HG13 ILE A 428 4.531 4.736 -1.016 1.00 4.52 H new ATOM 0 HG21 ILE A 428 6.754 7.631 -1.808 1.00 15.10 H new ATOM 0 HG22 ILE A 428 6.459 8.475 -0.269 1.00 15.10 H new ATOM 0 HG23 ILE A 428 7.419 6.976 -0.292 1.00 15.10 H new ATOM 0 HD11 ILE A 428 5.645 4.440 -3.172 1.00 20.35 H new ATOM 0 HD12 ILE A 428 4.704 5.951 -3.157 1.00 20.35 H new ATOM 0 HD13 ILE A 428 6.474 6.003 -2.973 1.00 20.35 H new ATOM 242 N ALA A 429 3.481 8.016 2.028 1.00 62.15 N ATOM 243 CA ALA A 429 3.060 9.264 2.654 1.00 33.33 C ATOM 244 C ALA A 429 3.770 9.475 3.987 1.00 1.14 C ATOM 245 O ALA A 429 3.752 10.573 4.544 1.00 63.44 O ATOM 246 CB ALA A 429 1.551 9.273 2.851 1.00 61.25 C ATOM 0 H ALA A 429 2.746 7.312 1.954 1.00 62.15 H new ATOM 0 HA ALA A 429 3.334 10.085 1.991 1.00 33.33 H new ATOM 0 HB1 ALA A 429 1.251 10.210 3.319 1.00 61.25 H new ATOM 0 HB2 ALA A 429 1.057 9.176 1.884 1.00 61.25 H new ATOM 0 HB3 ALA A 429 1.263 8.439 3.491 1.00 61.25 H new ATOM 252 N ALA A 430 4.394 8.417 4.495 1.00 52.34 N ATOM 253 CA ALA A 430 5.110 8.487 5.762 1.00 43.42 C ATOM 254 C ALA A 430 6.475 7.814 5.660 1.00 71.35 C ATOM 255 O ALA A 430 6.851 7.019 6.520 1.00 62.23 O ATOM 256 CB ALA A 430 4.287 7.849 6.871 1.00 61.23 C ATOM 0 H ALA A 430 4.418 7.501 4.048 1.00 52.34 H new ATOM 0 HA ALA A 430 5.269 9.538 6.002 1.00 43.42 H new ATOM 0 HB1 ALA A 430 4.835 7.909 7.811 1.00 61.23 H new ATOM 0 HB2 ALA A 430 3.338 8.377 6.970 1.00 61.23 H new ATOM 0 HB3 ALA A 430 4.097 6.804 6.628 1.00 61.23 H new ATOM 262 N GLU A 431 7.211 8.137 4.601 1.00 64.23 N ATOM 263 CA GLU A 431 8.533 7.562 4.386 1.00 32.40 C ATOM 264 C GLU A 431 9.409 8.501 3.561 1.00 54.32 C ATOM 265 O GLU A 431 8.979 9.588 3.175 1.00 33.22 O ATOM 266 CB GLU A 431 8.415 6.208 3.682 1.00 23.24 C ATOM 267 CG GLU A 431 7.767 5.132 4.537 1.00 64.23 C ATOM 268 CD GLU A 431 8.565 4.821 5.789 1.00 71.41 C ATOM 269 OE1 GLU A 431 9.808 4.749 5.696 1.00 23.23 O ATOM 270 OE2 GLU A 431 7.947 4.649 6.859 1.00 2.51 O ATOM 0 H GLU A 431 6.914 8.794 3.879 1.00 64.23 H new ATOM 0 HA GLU A 431 9.001 7.419 5.360 1.00 32.40 H new ATOM 0 HB2 GLU A 431 7.834 6.333 2.768 1.00 23.24 H new ATOM 0 HB3 GLU A 431 9.409 5.874 3.385 1.00 23.24 H new ATOM 0 HG2 GLU A 431 6.765 5.453 4.820 1.00 64.23 H new ATOM 0 HG3 GLU A 431 7.655 4.223 3.947 1.00 64.23 H new ATOM 277 N ASN A 432 10.639 8.075 3.297 1.00 33.02 N ATOM 278 CA ASN A 432 11.576 8.877 2.520 1.00 24.44 C ATOM 279 C ASN A 432 11.826 8.250 1.152 1.00 30.23 C ATOM 280 O ASN A 432 12.816 7.549 0.935 1.00 71.22 O ATOM 281 CB ASN A 432 12.899 9.027 3.274 1.00 71.01 C ATOM 282 CG ASN A 432 13.841 10.008 2.601 1.00 15.43 C ATOM 283 OD1 ASN A 432 14.958 9.654 2.226 1.00 31.44 O ATOM 284 ND2 ASN A 432 13.391 11.248 2.446 1.00 1.23 N ATOM 0 H ASN A 432 11.011 7.178 3.610 1.00 33.02 H new ATOM 0 HA ASN A 432 11.135 9.863 2.373 1.00 24.44 H new ATOM 0 HB2 ASN A 432 12.698 9.361 4.292 1.00 71.01 H new ATOM 0 HB3 ASN A 432 13.384 8.054 3.348 1.00 71.01 H new ATOM 0 HD21 ASN A 432 13.979 11.952 2.000 1.00 1.23 H new ATOM 0 HD22 ASN A 432 12.457 11.496 2.773 1.00 1.23 H new ATOM 291 N PRO A 433 10.910 8.506 0.207 1.00 54.11 N ATOM 292 CA PRO A 433 11.010 7.976 -1.157 1.00 54.41 C ATOM 293 C PRO A 433 12.145 8.618 -1.946 1.00 30.13 C ATOM 294 O PRO A 433 12.389 8.264 -3.099 1.00 65.11 O ATOM 295 CB PRO A 433 9.658 8.337 -1.776 1.00 74.35 C ATOM 296 CG PRO A 433 9.189 9.521 -1.003 1.00 12.31 C ATOM 297 CD PRO A 433 9.706 9.332 0.396 1.00 2.40 C ATOM 0 HA PRO A 433 11.227 6.908 -1.165 1.00 54.41 H new ATOM 0 HB2 PRO A 433 9.758 8.571 -2.836 1.00 74.35 H new ATOM 0 HB3 PRO A 433 8.953 7.509 -1.698 1.00 74.35 H new ATOM 0 HG2 PRO A 433 9.568 10.446 -1.438 1.00 12.31 H new ATOM 0 HG3 PRO A 433 8.101 9.587 -1.012 1.00 12.31 H new ATOM 0 HD2 PRO A 433 9.943 10.285 0.869 1.00 2.40 H new ATOM 0 HD3 PRO A 433 8.973 8.834 1.031 1.00 2.40 H new ATOM 305 N ALA A 434 12.837 9.562 -1.317 1.00 41.02 N ATOM 306 CA ALA A 434 13.949 10.251 -1.960 1.00 21.15 C ATOM 307 C ALA A 434 14.864 9.265 -2.679 1.00 33.40 C ATOM 308 O ALA A 434 14.952 9.266 -3.907 1.00 43.14 O ATOM 309 CB ALA A 434 14.737 11.053 -0.935 1.00 63.11 C ATOM 0 H ALA A 434 12.647 9.867 -0.362 1.00 41.02 H new ATOM 0 HA ALA A 434 13.539 10.935 -2.703 1.00 21.15 H new ATOM 0 HB1 ALA A 434 15.564 11.562 -1.429 1.00 63.11 H new ATOM 0 HB2 ALA A 434 14.083 11.790 -0.469 1.00 63.11 H new ATOM 0 HB3 ALA A 434 15.129 10.382 -0.171 1.00 63.11 H new ATOM 315 N LYS A 435 15.543 8.425 -1.907 1.00 34.35 N ATOM 316 CA LYS A 435 16.452 7.432 -2.469 1.00 53.10 C ATOM 317 C LYS A 435 15.688 6.192 -2.926 1.00 5.51 C ATOM 318 O LYS A 435 15.680 5.837 -4.105 1.00 44.44 O ATOM 319 CB LYS A 435 17.512 7.040 -1.438 1.00 30.35 C ATOM 320 CG LYS A 435 18.871 7.668 -1.694 1.00 73.25 C ATOM 321 CD LYS A 435 19.954 7.022 -0.847 1.00 13.03 C ATOM 322 CE LYS A 435 20.713 8.054 -0.028 1.00 41.35 C ATOM 323 NZ LYS A 435 22.095 7.602 0.291 1.00 21.33 N ATOM 0 H LYS A 435 15.482 8.411 -0.889 1.00 34.35 H new ATOM 0 HA LYS A 435 16.943 7.874 -3.336 1.00 53.10 H new ATOM 0 HB2 LYS A 435 17.167 7.332 -0.446 1.00 30.35 H new ATOM 0 HB3 LYS A 435 17.618 5.955 -1.432 1.00 30.35 H new ATOM 0 HG2 LYS A 435 19.126 7.568 -2.749 1.00 73.25 H new ATOM 0 HG3 LYS A 435 18.826 8.735 -1.476 1.00 73.25 H new ATOM 0 HD2 LYS A 435 19.505 6.286 -0.180 1.00 13.03 H new ATOM 0 HD3 LYS A 435 20.650 6.485 -1.492 1.00 13.03 H new ATOM 0 HE2 LYS A 435 20.756 8.994 -0.578 1.00 41.35 H new ATOM 0 HE3 LYS A 435 20.173 8.251 0.898 1.00 41.35 H new ATOM 0 HZ1 LYS A 435 22.579 8.333 0.850 1.00 21.33 H new ATOM 0 HZ2 LYS A 435 22.054 6.719 0.838 1.00 21.33 H new ATOM 0 HZ3 LYS A 435 22.619 7.438 -0.592 1.00 21.33 H new ATOM 337 N PRO A 436 15.029 5.517 -1.972 1.00 61.14 N ATOM 338 CA PRO A 436 14.249 4.309 -2.254 1.00 15.31 C ATOM 339 C PRO A 436 12.984 4.608 -3.052 1.00 25.35 C ATOM 340 O PRO A 436 12.684 5.765 -3.348 1.00 21.13 O ATOM 341 CB PRO A 436 13.890 3.787 -0.860 1.00 34.00 C ATOM 342 CG PRO A 436 13.923 4.991 0.017 1.00 71.13 C ATOM 343 CD PRO A 436 14.994 5.883 -0.546 1.00 21.44 C ATOM 0 HA PRO A 436 14.806 3.596 -2.862 1.00 15.31 H new ATOM 0 HB2 PRO A 436 12.905 3.320 -0.854 1.00 34.00 H new ATOM 0 HB3 PRO A 436 14.602 3.033 -0.524 1.00 34.00 H new ATOM 0 HG2 PRO A 436 12.957 5.496 0.023 1.00 71.13 H new ATOM 0 HG3 PRO A 436 14.145 4.717 1.048 1.00 71.13 H new ATOM 0 HD2 PRO A 436 14.753 6.937 -0.408 1.00 21.44 H new ATOM 0 HD3 PRO A 436 15.956 5.710 -0.063 1.00 21.44 H new ATOM 351 N LEU A 437 12.247 3.558 -3.398 1.00 24.22 N ATOM 352 CA LEU A 437 11.014 3.709 -4.163 1.00 14.02 C ATOM 353 C LEU A 437 10.049 2.565 -3.869 1.00 21.41 C ATOM 354 O LEU A 437 9.103 2.329 -4.622 1.00 3.31 O ATOM 355 CB LEU A 437 11.323 3.759 -5.661 1.00 11.41 C ATOM 356 CG LEU A 437 12.294 2.700 -6.182 1.00 31.13 C ATOM 357 CD1 LEU A 437 11.600 1.351 -6.298 1.00 61.00 C ATOM 358 CD2 LEU A 437 12.872 3.120 -7.525 1.00 42.43 C ATOM 0 H LEU A 437 12.481 2.594 -3.161 1.00 24.22 H new ATOM 0 HA LEU A 437 10.542 4.645 -3.865 1.00 14.02 H new ATOM 0 HB2 LEU A 437 10.385 3.664 -6.208 1.00 11.41 H new ATOM 0 HB3 LEU A 437 11.730 4.743 -5.895 1.00 11.41 H new ATOM 0 HG LEU A 437 13.114 2.605 -5.470 1.00 31.13 H new ATOM 0 HD11 LEU A 437 12.306 0.609 -6.670 1.00 61.00 H new ATOM 0 HD12 LEU A 437 11.235 1.044 -5.318 1.00 61.00 H new ATOM 0 HD13 LEU A 437 10.761 1.432 -6.989 1.00 61.00 H new ATOM 0 HD21 LEU A 437 13.561 2.354 -7.880 1.00 42.43 H new ATOM 0 HD22 LEU A 437 12.064 3.244 -8.246 1.00 42.43 H new ATOM 0 HD23 LEU A 437 13.406 4.064 -7.412 1.00 42.43 H new ATOM 370 N SER A 438 10.293 1.859 -2.770 1.00 73.25 N ATOM 371 CA SER A 438 9.445 0.739 -2.378 1.00 71.11 C ATOM 372 C SER A 438 8.872 0.954 -0.980 1.00 24.44 C ATOM 373 O SER A 438 9.311 1.841 -0.248 1.00 61.05 O ATOM 374 CB SER A 438 10.240 -0.568 -2.420 1.00 63.03 C ATOM 375 OG SER A 438 11.622 -0.319 -2.613 1.00 73.05 O ATOM 0 H SER A 438 11.070 2.042 -2.135 1.00 73.25 H new ATOM 0 HA SER A 438 8.618 0.677 -3.085 1.00 71.11 H new ATOM 0 HB2 SER A 438 10.093 -1.117 -1.490 1.00 63.03 H new ATOM 0 HB3 SER A 438 9.865 -1.199 -3.226 1.00 63.03 H new ATOM 0 HG SER A 438 12.108 -1.170 -2.634 1.00 73.05 H new ATOM 381 N ASP A 439 7.892 0.135 -0.617 1.00 71.25 N ATOM 382 CA ASP A 439 7.258 0.235 0.693 1.00 33.14 C ATOM 383 C ASP A 439 7.847 -0.789 1.659 1.00 55.40 C ATOM 384 O ASP A 439 7.168 -1.252 2.577 1.00 24.45 O ATOM 385 CB ASP A 439 5.748 0.029 0.570 1.00 14.13 C ATOM 386 CG ASP A 439 5.197 0.557 -0.740 1.00 35.12 C ATOM 387 OD1 ASP A 439 5.295 1.779 -0.975 1.00 51.31 O ATOM 388 OD2 ASP A 439 4.666 -0.252 -1.530 1.00 32.21 O ATOM 0 H ASP A 439 7.519 -0.606 -1.211 1.00 71.25 H new ATOM 0 HA ASP A 439 7.449 1.233 1.087 1.00 33.14 H new ATOM 0 HB2 ASP A 439 5.521 -1.034 0.654 1.00 14.13 H new ATOM 0 HB3 ASP A 439 5.247 0.529 1.399 1.00 14.13 H new ATOM 393 N SER A 440 9.111 -1.139 1.446 1.00 40.31 N ATOM 394 CA SER A 440 9.789 -2.111 2.295 1.00 74.23 C ATOM 395 C SER A 440 9.634 -1.747 3.769 1.00 21.44 C ATOM 396 O SER A 440 9.429 -2.616 4.616 1.00 11.30 O ATOM 397 CB SER A 440 11.273 -2.191 1.931 1.00 20.41 C ATOM 398 OG SER A 440 11.781 -3.496 2.144 1.00 75.43 O ATOM 0 H SER A 440 9.687 -0.764 0.692 1.00 40.31 H new ATOM 0 HA SER A 440 9.329 -3.085 2.129 1.00 74.23 H new ATOM 0 HB2 SER A 440 11.410 -1.910 0.887 1.00 20.41 H new ATOM 0 HB3 SER A 440 11.837 -1.476 2.530 1.00 20.41 H new ATOM 0 HG SER A 440 12.730 -3.521 1.902 1.00 75.43 H new ATOM 404 N LYS A 441 9.734 -0.456 4.066 1.00 72.12 N ATOM 405 CA LYS A 441 9.604 0.026 5.436 1.00 73.14 C ATOM 406 C LYS A 441 8.198 -0.228 5.971 1.00 53.03 C ATOM 407 O LYS A 441 8.016 -0.961 6.945 1.00 71.41 O ATOM 408 CB LYS A 441 9.925 1.520 5.505 1.00 40.33 C ATOM 409 CG LYS A 441 11.016 1.862 6.504 1.00 22.10 C ATOM 410 CD LYS A 441 10.569 1.598 7.932 1.00 60.34 C ATOM 411 CE LYS A 441 11.577 2.129 8.939 1.00 12.52 C ATOM 412 NZ LYS A 441 11.335 3.561 9.264 1.00 52.34 N ATOM 0 H LYS A 441 9.905 0.276 3.376 1.00 72.12 H new ATOM 0 HA LYS A 441 10.314 -0.521 6.056 1.00 73.14 H new ATOM 0 HB2 LYS A 441 10.229 1.864 4.516 1.00 40.33 H new ATOM 0 HB3 LYS A 441 9.019 2.066 5.768 1.00 40.33 H new ATOM 0 HG2 LYS A 441 11.907 1.273 6.286 1.00 22.10 H new ATOM 0 HG3 LYS A 441 11.293 2.911 6.397 1.00 22.10 H new ATOM 0 HD2 LYS A 441 9.600 2.067 8.104 1.00 60.34 H new ATOM 0 HD3 LYS A 441 10.435 0.526 8.080 1.00 60.34 H new ATOM 0 HE2 LYS A 441 11.525 1.536 9.852 1.00 12.52 H new ATOM 0 HE3 LYS A 441 12.585 2.013 8.540 1.00 12.52 H new ATOM 0 HZ1 LYS A 441 12.043 3.885 9.953 1.00 52.34 H new ATOM 0 HZ2 LYS A 441 11.410 4.131 8.397 1.00 52.34 H new ATOM 0 HZ3 LYS A 441 10.383 3.669 9.669 1.00 52.34 H new ATOM 426 N LEU A 442 7.207 0.380 5.329 1.00 40.25 N ATOM 427 CA LEU A 442 5.816 0.219 5.739 1.00 14.13 C ATOM 428 C LEU A 442 5.445 -1.258 5.837 1.00 73.21 C ATOM 429 O LEU A 442 4.705 -1.666 6.731 1.00 13.44 O ATOM 430 CB LEU A 442 4.886 0.926 4.753 1.00 25.50 C ATOM 431 CG LEU A 442 4.622 2.408 5.025 1.00 72.55 C ATOM 432 CD1 LEU A 442 3.310 2.586 5.773 1.00 73.34 C ATOM 433 CD2 LEU A 442 5.772 3.020 5.808 1.00 64.31 C ATOM 0 H LEU A 442 7.341 0.989 4.522 1.00 40.25 H new ATOM 0 HA LEU A 442 5.700 0.671 6.724 1.00 14.13 H new ATOM 0 HB2 LEU A 442 5.309 0.830 3.753 1.00 25.50 H new ATOM 0 HB3 LEU A 442 3.930 0.402 4.746 1.00 25.50 H new ATOM 0 HG LEU A 442 4.545 2.926 4.069 1.00 72.55 H new ATOM 0 HD11 LEU A 442 3.138 3.646 5.958 1.00 73.34 H new ATOM 0 HD12 LEU A 442 2.492 2.185 5.174 1.00 73.34 H new ATOM 0 HD13 LEU A 442 3.358 2.055 6.724 1.00 73.34 H new ATOM 0 HD21 LEU A 442 5.566 4.074 5.992 1.00 64.31 H new ATOM 0 HD22 LEU A 442 5.882 2.500 6.760 1.00 64.31 H new ATOM 0 HD23 LEU A 442 6.694 2.925 5.234 1.00 64.31 H new ATOM 445 N THR A 443 5.966 -2.056 4.909 1.00 72.33 N ATOM 446 CA THR A 443 5.690 -3.487 4.890 1.00 51.14 C ATOM 447 C THR A 443 6.495 -4.216 5.960 1.00 74.32 C ATOM 448 O THR A 443 6.124 -5.306 6.393 1.00 13.54 O ATOM 449 CB THR A 443 6.010 -4.101 3.514 1.00 32.22 C ATOM 450 OG1 THR A 443 7.351 -3.777 3.132 1.00 71.44 O ATOM 451 CG2 THR A 443 5.039 -3.597 2.457 1.00 0.23 C ATOM 0 H THR A 443 6.581 -1.735 4.161 1.00 72.33 H new ATOM 0 HA THR A 443 4.626 -3.608 5.095 1.00 51.14 H new ATOM 0 HB THR A 443 5.907 -5.183 3.591 1.00 32.22 H new ATOM 0 HG1 THR A 443 7.345 -2.979 2.564 1.00 71.44 H new ATOM 0 HG21 THR A 443 5.285 -4.044 1.494 1.00 0.23 H new ATOM 0 HG22 THR A 443 4.022 -3.873 2.736 1.00 0.23 H new ATOM 0 HG23 THR A 443 5.113 -2.512 2.383 1.00 0.23 H new ATOM 459 N SER A 444 7.599 -3.607 6.381 1.00 71.11 N ATOM 460 CA SER A 444 8.458 -4.200 7.399 1.00 63.13 C ATOM 461 C SER A 444 7.914 -3.926 8.797 1.00 54.05 C ATOM 462 O SER A 444 7.698 -4.849 9.584 1.00 75.22 O ATOM 463 CB SER A 444 9.881 -3.652 7.277 1.00 65.32 C ATOM 464 OG SER A 444 10.665 -4.013 8.401 1.00 14.20 O ATOM 0 H SER A 444 7.919 -2.703 6.033 1.00 71.11 H new ATOM 0 HA SER A 444 8.476 -5.278 7.241 1.00 63.13 H new ATOM 0 HB2 SER A 444 10.345 -4.035 6.368 1.00 65.32 H new ATOM 0 HB3 SER A 444 9.849 -2.566 7.185 1.00 65.32 H new ATOM 0 HG SER A 444 11.570 -3.652 8.298 1.00 14.20 H new ATOM 470 N LEU A 445 7.693 -2.651 9.100 1.00 22.53 N ATOM 471 CA LEU A 445 7.173 -2.253 10.403 1.00 1.24 C ATOM 472 C LEU A 445 5.870 -2.982 10.715 1.00 21.02 C ATOM 473 O LEU A 445 5.766 -3.691 11.717 1.00 3.40 O ATOM 474 CB LEU A 445 6.949 -0.741 10.445 1.00 60.12 C ATOM 475 CG LEU A 445 7.959 0.066 11.261 1.00 21.22 C ATOM 476 CD1 LEU A 445 8.070 1.484 10.723 1.00 60.21 C ATOM 477 CD2 LEU A 445 7.566 0.081 12.731 1.00 3.23 C ATOM 0 H LEU A 445 7.866 -1.875 8.461 1.00 22.53 H new ATOM 0 HA LEU A 445 7.909 -2.525 11.159 1.00 1.24 H new ATOM 0 HB2 LEU A 445 6.955 -0.365 9.422 1.00 60.12 H new ATOM 0 HB3 LEU A 445 5.954 -0.553 10.848 1.00 60.12 H new ATOM 0 HG LEU A 445 8.934 -0.412 11.171 1.00 21.22 H new ATOM 0 HD11 LEU A 445 8.793 2.043 11.317 1.00 60.21 H new ATOM 0 HD12 LEU A 445 8.399 1.454 9.684 1.00 60.21 H new ATOM 0 HD13 LEU A 445 7.097 1.973 10.782 1.00 60.21 H new ATOM 0 HD21 LEU A 445 8.296 0.660 13.297 1.00 3.23 H new ATOM 0 HD22 LEU A 445 6.581 0.534 12.840 1.00 3.23 H new ATOM 0 HD23 LEU A 445 7.540 -0.940 13.111 1.00 3.23 H new ATOM 489 N LEU A 446 4.878 -2.804 9.851 1.00 62.53 N ATOM 490 CA LEU A 446 3.580 -3.447 10.031 1.00 4.50 C ATOM 491 C LEU A 446 3.732 -4.961 10.136 1.00 4.13 C ATOM 492 O LEU A 446 2.857 -5.647 10.663 1.00 40.23 O ATOM 493 CB LEU A 446 2.649 -3.095 8.870 1.00 52.05 C ATOM 494 CG LEU A 446 2.273 -4.248 7.938 1.00 1.03 C ATOM 495 CD1 LEU A 446 1.111 -3.853 7.042 1.00 54.44 C ATOM 496 CD2 LEU A 446 3.473 -4.671 7.103 1.00 53.11 C ATOM 0 H LEU A 446 4.947 -2.220 9.018 1.00 62.53 H new ATOM 0 HA LEU A 446 3.146 -3.079 10.961 1.00 4.50 H new ATOM 0 HB2 LEU A 446 1.732 -2.673 9.281 1.00 52.05 H new ATOM 0 HB3 LEU A 446 3.122 -2.313 8.276 1.00 52.05 H new ATOM 0 HG LEU A 446 1.962 -5.096 8.548 1.00 1.03 H new ATOM 0 HD11 LEU A 446 0.858 -4.686 6.386 1.00 54.44 H new ATOM 0 HD12 LEU A 446 0.247 -3.600 7.657 1.00 54.44 H new ATOM 0 HD13 LEU A 446 1.393 -2.990 6.440 1.00 54.44 H new ATOM 0 HD21 LEU A 446 3.188 -5.492 6.446 1.00 53.11 H new ATOM 0 HD22 LEU A 446 3.814 -3.828 6.503 1.00 53.11 H new ATOM 0 HD23 LEU A 446 4.278 -4.997 7.762 1.00 53.11 H new ATOM 508 N SER A 447 4.850 -5.474 9.634 1.00 2.21 N ATOM 509 CA SER A 447 5.116 -6.907 9.670 1.00 31.41 C ATOM 510 C SER A 447 5.837 -7.295 10.957 1.00 45.12 C ATOM 511 O SER A 447 5.787 -8.446 11.387 1.00 21.54 O ATOM 512 CB SER A 447 5.954 -7.323 8.459 1.00 62.45 C ATOM 513 OG SER A 447 6.538 -8.599 8.655 1.00 1.22 O ATOM 0 H SER A 447 5.586 -4.919 9.198 1.00 2.21 H new ATOM 0 HA SER A 447 4.159 -7.428 9.638 1.00 31.41 H new ATOM 0 HB2 SER A 447 5.327 -7.340 7.568 1.00 62.45 H new ATOM 0 HB3 SER A 447 6.737 -6.585 8.284 1.00 62.45 H new ATOM 0 HG SER A 447 7.067 -8.841 7.866 1.00 1.22 H new ATOM 519 N GLU A 448 6.507 -6.322 11.568 1.00 33.04 N ATOM 520 CA GLU A 448 7.240 -6.560 12.806 1.00 34.02 C ATOM 521 C GLU A 448 6.283 -6.677 13.989 1.00 14.23 C ATOM 522 O GLU A 448 6.684 -7.058 15.089 1.00 4.20 O ATOM 523 CB GLU A 448 8.243 -5.434 13.057 1.00 25.21 C ATOM 524 CG GLU A 448 9.583 -5.650 12.374 1.00 65.02 C ATOM 525 CD GLU A 448 10.551 -6.447 13.226 1.00 74.43 C ATOM 526 OE1 GLU A 448 11.201 -5.846 14.107 1.00 74.24 O ATOM 527 OE2 GLU A 448 10.659 -7.673 13.012 1.00 22.41 O ATOM 0 H GLU A 448 6.557 -5.362 11.226 1.00 33.04 H new ATOM 0 HA GLU A 448 7.781 -7.501 12.703 1.00 34.02 H new ATOM 0 HB2 GLU A 448 7.815 -4.493 12.710 1.00 25.21 H new ATOM 0 HB3 GLU A 448 8.404 -5.334 14.130 1.00 25.21 H new ATOM 0 HG2 GLU A 448 9.425 -6.169 11.429 1.00 65.02 H new ATOM 0 HG3 GLU A 448 10.026 -4.683 12.137 1.00 65.02 H new ATOM 534 N GLN A 449 5.018 -6.346 13.755 1.00 75.12 N ATOM 535 CA GLN A 449 4.005 -6.412 14.802 1.00 74.22 C ATOM 536 C GLN A 449 3.053 -7.581 14.566 1.00 51.03 C ATOM 537 O GLN A 449 2.741 -8.336 15.485 1.00 31.14 O ATOM 538 CB GLN A 449 3.217 -5.102 14.862 1.00 51.22 C ATOM 539 CG GLN A 449 3.042 -4.435 13.508 1.00 21.10 C ATOM 540 CD GLN A 449 2.288 -3.122 13.597 1.00 12.45 C ATOM 541 OE1 GLN A 449 2.726 -2.104 13.059 1.00 54.32 O ATOM 542 NE2 GLN A 449 1.149 -3.139 14.279 1.00 41.01 N ATOM 0 H GLN A 449 4.670 -6.029 12.850 1.00 75.12 H new ATOM 0 HA GLN A 449 4.513 -6.567 15.754 1.00 74.22 H new ATOM 0 HB2 GLN A 449 2.234 -5.298 15.291 1.00 51.22 H new ATOM 0 HB3 GLN A 449 3.726 -4.412 15.535 1.00 51.22 H new ATOM 0 HG2 GLN A 449 4.022 -4.257 13.065 1.00 21.10 H new ATOM 0 HG3 GLN A 449 2.508 -5.111 12.840 1.00 21.10 H new ATOM 0 HE21 GLN A 449 0.824 -4.006 14.708 1.00 41.01 H new ATOM 0 HE22 GLN A 449 0.598 -2.286 14.374 1.00 41.01 H new ATOM 551 N GLY A 450 2.594 -7.723 13.326 1.00 64.20 N ATOM 552 CA GLY A 450 1.683 -8.801 12.991 1.00 72.14 C ATOM 553 C GLY A 450 0.870 -8.507 11.745 1.00 15.54 C ATOM 554 O GLY A 450 0.333 -9.421 11.118 1.00 70.32 O ATOM 0 H GLY A 450 2.837 -7.110 12.548 1.00 64.20 H new ATOM 0 HA2 GLY A 450 2.251 -9.719 12.842 1.00 72.14 H new ATOM 0 HA3 GLY A 450 1.008 -8.976 13.829 1.00 72.14 H new ATOM 558 N ILE A 451 0.778 -7.231 11.388 1.00 73.21 N ATOM 559 CA ILE A 451 0.023 -6.821 10.210 1.00 5.13 C ATOM 560 C ILE A 451 0.741 -7.229 8.928 1.00 22.15 C ATOM 561 O ILE A 451 1.967 -7.346 8.901 1.00 53.30 O ATOM 562 CB ILE A 451 -0.207 -5.298 10.192 1.00 34.13 C ATOM 563 CG1 ILE A 451 -0.674 -4.814 11.566 1.00 15.24 C ATOM 564 CG2 ILE A 451 -1.224 -4.929 9.122 1.00 31.34 C ATOM 565 CD1 ILE A 451 -1.990 -5.418 12.004 1.00 51.12 C ATOM 0 H ILE A 451 1.216 -6.463 11.897 1.00 73.21 H new ATOM 0 HA ILE A 451 -0.941 -7.326 10.261 1.00 5.13 H new ATOM 0 HB ILE A 451 0.736 -4.806 9.955 1.00 34.13 H new ATOM 0 HG12 ILE A 451 0.090 -5.053 12.306 1.00 15.24 H new ATOM 0 HG13 ILE A 451 -0.770 -3.728 11.546 1.00 15.24 H new ATOM 0 HG21 ILE A 451 -1.376 -3.850 9.121 1.00 31.34 H new ATOM 0 HG22 ILE A 451 -0.856 -5.244 8.146 1.00 31.34 H new ATOM 0 HG23 ILE A 451 -2.170 -5.429 9.331 1.00 31.34 H new ATOM 0 HD11 ILE A 451 -2.259 -5.030 12.986 1.00 51.12 H new ATOM 0 HD12 ILE A 451 -2.767 -5.157 11.285 1.00 51.12 H new ATOM 0 HD13 ILE A 451 -1.893 -6.502 12.056 1.00 51.12 H new ATOM 577 N MET A 452 -0.030 -7.445 7.868 1.00 64.32 N ATOM 578 CA MET A 452 0.534 -7.838 6.581 1.00 41.15 C ATOM 579 C MET A 452 -0.506 -7.712 5.471 1.00 1.24 C ATOM 580 O MET A 452 -1.137 -8.695 5.084 1.00 13.43 O ATOM 581 CB MET A 452 1.056 -9.274 6.646 1.00 71.14 C ATOM 582 CG MET A 452 0.048 -10.262 7.210 1.00 1.13 C ATOM 583 SD MET A 452 -0.014 -11.802 6.275 1.00 71.42 S ATOM 584 CE MET A 452 -0.313 -12.984 7.587 1.00 22.33 C ATOM 0 H MET A 452 -1.046 -7.355 7.874 1.00 64.32 H new ATOM 0 HA MET A 452 1.364 -7.168 6.356 1.00 41.15 H new ATOM 0 HB2 MET A 452 1.344 -9.593 5.644 1.00 71.14 H new ATOM 0 HB3 MET A 452 1.957 -9.297 7.259 1.00 71.14 H new ATOM 0 HG2 MET A 452 0.301 -10.481 8.247 1.00 1.13 H new ATOM 0 HG3 MET A 452 -0.941 -9.804 7.214 1.00 1.13 H new ATOM 0 HE1 MET A 452 -0.377 -13.987 7.165 1.00 22.33 H new ATOM 0 HE2 MET A 452 0.505 -12.944 8.306 1.00 22.33 H new ATOM 0 HE3 MET A 452 -1.250 -12.741 8.089 1.00 22.33 H new ATOM 594 N VAL A 453 -0.679 -6.495 4.964 1.00 21.15 N ATOM 595 CA VAL A 453 -1.641 -6.242 3.898 1.00 11.41 C ATOM 596 C VAL A 453 -0.975 -5.568 2.705 1.00 31.13 C ATOM 597 O VAL A 453 -1.203 -5.949 1.556 1.00 41.53 O ATOM 598 CB VAL A 453 -2.803 -5.358 4.390 1.00 41.12 C ATOM 599 CG1 VAL A 453 -3.867 -6.205 5.073 1.00 62.22 C ATOM 600 CG2 VAL A 453 -2.289 -4.276 5.328 1.00 64.53 C ATOM 0 H VAL A 453 -0.166 -5.670 5.274 1.00 21.15 H new ATOM 0 HA VAL A 453 -2.035 -7.211 3.591 1.00 11.41 H new ATOM 0 HB VAL A 453 -3.258 -4.873 3.526 1.00 41.12 H new ATOM 0 HG11 VAL A 453 -4.680 -5.563 5.414 1.00 62.22 H new ATOM 0 HG12 VAL A 453 -4.256 -6.939 4.367 1.00 62.22 H new ATOM 0 HG13 VAL A 453 -3.429 -6.720 5.928 1.00 62.22 H new ATOM 0 HG21 VAL A 453 -3.123 -3.661 5.666 1.00 64.53 H new ATOM 0 HG22 VAL A 453 -1.808 -4.740 6.189 1.00 64.53 H new ATOM 0 HG23 VAL A 453 -1.567 -3.651 4.802 1.00 64.53 H new ATOM 610 N ALA A 454 -0.148 -4.565 2.983 1.00 54.42 N ATOM 611 CA ALA A 454 0.554 -3.839 1.933 1.00 44.15 C ATOM 612 C ALA A 454 1.279 -4.797 0.993 1.00 55.21 C ATOM 613 O ALA A 454 1.536 -4.469 -0.165 1.00 1.42 O ATOM 614 CB ALA A 454 1.537 -2.850 2.541 1.00 10.20 C ATOM 0 H ALA A 454 0.052 -4.237 3.928 1.00 54.42 H new ATOM 0 HA ALA A 454 -0.185 -3.289 1.350 1.00 44.15 H new ATOM 0 HB1 ALA A 454 2.054 -2.315 1.745 1.00 10.20 H new ATOM 0 HB2 ALA A 454 0.997 -2.138 3.166 1.00 10.20 H new ATOM 0 HB3 ALA A 454 2.265 -3.387 3.149 1.00 10.20 H new ATOM 620 N ARG A 455 1.604 -5.982 1.500 1.00 44.31 N ATOM 621 CA ARG A 455 2.301 -6.987 0.706 1.00 72.03 C ATOM 622 C ARG A 455 1.537 -7.288 -0.580 1.00 74.21 C ATOM 623 O ARG A 455 2.018 -7.010 -1.679 1.00 1.31 O ATOM 624 CB ARG A 455 2.482 -8.272 1.517 1.00 61.15 C ATOM 625 CG ARG A 455 3.914 -8.781 1.538 1.00 61.02 C ATOM 626 CD ARG A 455 4.267 -9.395 2.883 1.00 21.44 C ATOM 627 NE ARG A 455 5.699 -9.655 3.008 1.00 51.12 N ATOM 628 CZ ARG A 455 6.234 -10.363 3.996 1.00 73.23 C ATOM 629 NH1 ARG A 455 5.460 -10.880 4.940 1.00 3.22 N ATOM 630 NH2 ARG A 455 7.546 -10.556 4.041 1.00 22.12 N ATOM 0 H ARG A 455 1.396 -6.269 2.456 1.00 44.31 H new ATOM 0 HA ARG A 455 3.281 -6.591 0.442 1.00 72.03 H new ATOM 0 HB2 ARG A 455 2.153 -8.095 2.541 1.00 61.15 H new ATOM 0 HB3 ARG A 455 1.836 -9.047 1.104 1.00 61.15 H new ATOM 0 HG2 ARG A 455 4.049 -9.523 0.751 1.00 61.02 H new ATOM 0 HG3 ARG A 455 4.597 -7.959 1.322 1.00 61.02 H new ATOM 0 HD2 ARG A 455 3.949 -8.725 3.682 1.00 21.44 H new ATOM 0 HD3 ARG A 455 3.717 -10.327 3.011 1.00 21.44 H new ATOM 0 HE ARG A 455 6.322 -9.272 2.297 1.00 51.12 H new ATOM 0 HH11 ARG A 455 4.451 -10.734 4.909 1.00 3.22 H new ATOM 0 HH12 ARG A 455 5.874 -11.423 5.698 1.00 3.22 H new ATOM 0 HH21 ARG A 455 8.145 -10.160 3.316 1.00 22.12 H new ATOM 0 HH22 ARG A 455 7.956 -11.100 4.800 1.00 22.12 H new ATOM 644 N ARG A 456 0.345 -7.858 -0.436 1.00 24.25 N ATOM 645 CA ARG A 456 -0.484 -8.199 -1.586 1.00 43.41 C ATOM 646 C ARG A 456 -1.327 -7.004 -2.021 1.00 13.21 C ATOM 647 O ARG A 456 -1.692 -6.880 -3.191 1.00 11.34 O ATOM 648 CB ARG A 456 -1.392 -9.384 -1.253 1.00 21.42 C ATOM 649 CG ARG A 456 -2.670 -8.989 -0.533 1.00 73.02 C ATOM 650 CD ARG A 456 -3.795 -8.698 -1.514 1.00 41.34 C ATOM 651 NE ARG A 456 -4.974 -9.518 -1.254 1.00 32.52 N ATOM 652 CZ ARG A 456 -5.107 -10.770 -1.681 1.00 11.55 C ATOM 653 NH1 ARG A 456 -4.137 -11.341 -2.383 1.00 52.24 N ATOM 654 NH2 ARG A 456 -6.209 -11.454 -1.404 1.00 51.15 N ATOM 0 H ARG A 456 -0.068 -8.093 0.466 1.00 24.25 H new ATOM 0 HA ARG A 456 0.175 -8.476 -2.409 1.00 43.41 H new ATOM 0 HB2 ARG A 456 -1.651 -9.903 -2.176 1.00 21.42 H new ATOM 0 HB3 ARG A 456 -0.840 -10.091 -0.634 1.00 21.42 H new ATOM 0 HG2 ARG A 456 -2.972 -9.791 0.141 1.00 73.02 H new ATOM 0 HG3 ARG A 456 -2.485 -8.108 0.082 1.00 73.02 H new ATOM 0 HD2 ARG A 456 -4.066 -7.644 -1.452 1.00 41.34 H new ATOM 0 HD3 ARG A 456 -3.445 -8.878 -2.530 1.00 41.34 H new ATOM 0 HE ARG A 456 -5.737 -9.108 -0.716 1.00 32.52 H new ATOM 0 HH11 ARG A 456 -3.287 -10.819 -2.596 1.00 52.24 H new ATOM 0 HH12 ARG A 456 -4.241 -12.302 -2.709 1.00 52.24 H new ATOM 0 HH21 ARG A 456 -6.956 -11.020 -0.863 1.00 51.15 H new ATOM 0 HH22 ARG A 456 -6.309 -12.414 -1.732 1.00 51.15 H new ATOM 668 N THR A 457 -1.635 -6.126 -1.070 1.00 61.41 N ATOM 669 CA THR A 457 -2.437 -4.943 -1.355 1.00 3.21 C ATOM 670 C THR A 457 -1.715 -4.008 -2.318 1.00 62.42 C ATOM 671 O THR A 457 -2.256 -3.637 -3.361 1.00 5.44 O ATOM 672 CB THR A 457 -2.775 -4.170 -0.065 1.00 60.50 C ATOM 673 OG1 THR A 457 -3.699 -4.923 0.729 1.00 23.22 O ATOM 674 CG2 THR A 457 -3.369 -2.809 -0.390 1.00 73.04 C ATOM 0 H THR A 457 -1.341 -6.213 -0.097 1.00 61.41 H new ATOM 0 HA THR A 457 -3.362 -5.291 -1.815 1.00 3.21 H new ATOM 0 HB THR A 457 -1.852 -4.021 0.496 1.00 60.50 H new ATOM 0 HG1 THR A 457 -3.208 -5.570 1.277 1.00 23.22 H new ATOM 0 HG21 THR A 457 -3.599 -2.282 0.536 1.00 73.04 H new ATOM 0 HG22 THR A 457 -2.652 -2.228 -0.969 1.00 73.04 H new ATOM 0 HG23 THR A 457 -4.283 -2.940 -0.970 1.00 73.04 H new ATOM 682 N VAL A 458 -0.491 -3.631 -1.965 1.00 44.41 N ATOM 683 CA VAL A 458 0.306 -2.740 -2.801 1.00 2.34 C ATOM 684 C VAL A 458 0.698 -3.419 -4.109 1.00 41.52 C ATOM 685 O VAL A 458 0.445 -2.893 -5.192 1.00 64.04 O ATOM 686 CB VAL A 458 1.583 -2.280 -2.072 1.00 54.24 C ATOM 687 CG1 VAL A 458 2.371 -1.310 -2.938 1.00 2.25 C ATOM 688 CG2 VAL A 458 1.233 -1.649 -0.733 1.00 42.34 C ATOM 0 H VAL A 458 -0.029 -3.928 -1.106 1.00 44.41 H new ATOM 0 HA VAL A 458 -0.314 -1.870 -3.018 1.00 2.34 H new ATOM 0 HB VAL A 458 2.209 -3.153 -1.884 1.00 54.24 H new ATOM 0 HG11 VAL A 458 3.270 -0.996 -2.407 1.00 2.25 H new ATOM 0 HG12 VAL A 458 2.653 -1.800 -3.870 1.00 2.25 H new ATOM 0 HG13 VAL A 458 1.756 -0.437 -3.159 1.00 2.25 H new ATOM 0 HG21 VAL A 458 2.147 -1.330 -0.231 1.00 42.34 H new ATOM 0 HG22 VAL A 458 0.587 -0.786 -0.895 1.00 42.34 H new ATOM 0 HG23 VAL A 458 0.714 -2.379 -0.112 1.00 42.34 H new ATOM 698 N ALA A 459 1.316 -4.590 -4.000 1.00 42.24 N ATOM 699 CA ALA A 459 1.740 -5.342 -5.174 1.00 3.14 C ATOM 700 C ALA A 459 0.594 -5.501 -6.168 1.00 4.02 C ATOM 701 O ALA A 459 0.814 -5.581 -7.377 1.00 52.03 O ATOM 702 CB ALA A 459 2.277 -6.705 -4.762 1.00 63.33 C ATOM 0 H ALA A 459 1.534 -5.039 -3.110 1.00 42.24 H new ATOM 0 HA ALA A 459 2.537 -4.783 -5.665 1.00 3.14 H new ATOM 0 HB1 ALA A 459 2.590 -7.256 -5.649 1.00 63.33 H new ATOM 0 HB2 ALA A 459 3.130 -6.574 -4.096 1.00 63.33 H new ATOM 0 HB3 ALA A 459 1.496 -7.263 -4.245 1.00 63.33 H new ATOM 708 N LYS A 460 -0.629 -5.546 -5.651 1.00 31.23 N ATOM 709 CA LYS A 460 -1.810 -5.695 -6.493 1.00 11.41 C ATOM 710 C LYS A 460 -1.895 -4.567 -7.515 1.00 54.14 C ATOM 711 O LYS A 460 -1.903 -4.809 -8.723 1.00 31.04 O ATOM 712 CB LYS A 460 -3.076 -5.714 -5.632 1.00 24.23 C ATOM 713 CG LYS A 460 -3.798 -7.049 -5.642 1.00 35.23 C ATOM 714 CD LYS A 460 -4.349 -7.374 -7.020 1.00 75.25 C ATOM 715 CE LYS A 460 -4.436 -8.876 -7.247 1.00 41.31 C ATOM 716 NZ LYS A 460 -5.329 -9.214 -8.390 1.00 21.34 N ATOM 0 H LYS A 460 -0.828 -5.481 -4.653 1.00 31.23 H new ATOM 0 HA LYS A 460 -1.727 -6.641 -7.028 1.00 11.41 H new ATOM 0 HB2 LYS A 460 -2.811 -5.462 -4.605 1.00 24.23 H new ATOM 0 HB3 LYS A 460 -3.757 -4.940 -5.985 1.00 24.23 H new ATOM 0 HG2 LYS A 460 -3.113 -7.837 -5.328 1.00 35.23 H new ATOM 0 HG3 LYS A 460 -4.613 -7.028 -4.919 1.00 35.23 H new ATOM 0 HD2 LYS A 460 -5.338 -6.931 -7.131 1.00 75.25 H new ATOM 0 HD3 LYS A 460 -3.712 -6.926 -7.783 1.00 75.25 H new ATOM 0 HE2 LYS A 460 -3.439 -9.273 -7.436 1.00 41.31 H new ATOM 0 HE3 LYS A 460 -4.805 -9.359 -6.342 1.00 41.31 H new ATOM 0 HZ1 LYS A 460 -5.361 -10.246 -8.512 1.00 21.34 H new ATOM 0 HZ2 LYS A 460 -6.287 -8.858 -8.199 1.00 21.34 H new ATOM 0 HZ3 LYS A 460 -4.963 -8.774 -9.258 1.00 21.34 H new ATOM 730 N TYR A 461 -1.957 -3.334 -7.025 1.00 42.23 N ATOM 731 CA TYR A 461 -2.042 -2.168 -7.897 1.00 50.13 C ATOM 732 C TYR A 461 -0.683 -1.845 -8.509 1.00 43.10 C ATOM 733 O TYR A 461 -0.598 -1.193 -9.550 1.00 3.31 O ATOM 734 CB TYR A 461 -2.564 -0.959 -7.118 1.00 32.44 C ATOM 735 CG TYR A 461 -3.927 -1.178 -6.502 1.00 11.22 C ATOM 736 CD1 TYR A 461 -4.057 -1.717 -5.228 1.00 72.30 C ATOM 737 CD2 TYR A 461 -5.085 -0.846 -7.194 1.00 52.24 C ATOM 738 CE1 TYR A 461 -5.300 -1.919 -4.661 1.00 14.01 C ATOM 739 CE2 TYR A 461 -6.333 -1.043 -6.635 1.00 12.31 C ATOM 740 CZ TYR A 461 -6.435 -1.581 -5.368 1.00 54.23 C ATOM 741 OH TYR A 461 -7.676 -1.780 -4.807 1.00 65.32 O ATOM 0 H TYR A 461 -1.950 -3.116 -6.029 1.00 42.23 H new ATOM 0 HA TYR A 461 -2.737 -2.400 -8.704 1.00 50.13 H new ATOM 0 HB2 TYR A 461 -1.854 -0.711 -6.329 1.00 32.44 H new ATOM 0 HB3 TYR A 461 -2.611 -0.099 -7.786 1.00 32.44 H new ATOM 0 HD1 TYR A 461 -3.170 -1.983 -4.671 1.00 72.30 H new ATOM 0 HD2 TYR A 461 -5.008 -0.427 -8.186 1.00 52.24 H new ATOM 0 HE1 TYR A 461 -5.383 -2.339 -3.670 1.00 14.01 H new ATOM 0 HE2 TYR A 461 -7.223 -0.778 -7.186 1.00 12.31 H new ATOM 0 HH TYR A 461 -8.369 -1.489 -5.435 1.00 65.32 H new ATOM 751 N ARG A 462 0.378 -2.306 -7.855 1.00 21.12 N ATOM 752 CA ARG A 462 1.734 -2.066 -8.333 1.00 22.33 C ATOM 753 C ARG A 462 1.868 -2.448 -9.805 1.00 53.42 C ATOM 754 O ARG A 462 2.500 -1.737 -10.585 1.00 15.24 O ATOM 755 CB ARG A 462 2.740 -2.859 -7.497 1.00 14.24 C ATOM 756 CG ARG A 462 4.138 -2.890 -8.093 1.00 14.12 C ATOM 757 CD ARG A 462 5.130 -3.555 -7.152 1.00 65.21 C ATOM 758 NE ARG A 462 5.470 -2.697 -6.020 1.00 11.54 N ATOM 759 CZ ARG A 462 6.003 -3.148 -4.890 1.00 32.02 C ATOM 760 NH1 ARG A 462 6.256 -4.441 -4.743 1.00 33.13 N ATOM 761 NH2 ARG A 462 6.283 -2.306 -3.904 1.00 50.40 N ATOM 0 H ARG A 462 0.325 -2.848 -6.993 1.00 21.12 H new ATOM 0 HA ARG A 462 1.945 -1.001 -8.231 1.00 22.33 H new ATOM 0 HB2 ARG A 462 2.790 -2.427 -6.498 1.00 14.24 H new ATOM 0 HB3 ARG A 462 2.380 -3.882 -7.384 1.00 14.24 H new ATOM 0 HG2 ARG A 462 4.119 -3.427 -9.041 1.00 14.12 H new ATOM 0 HG3 ARG A 462 4.465 -1.873 -8.309 1.00 14.12 H new ATOM 0 HD2 ARG A 462 4.709 -4.491 -6.784 1.00 65.21 H new ATOM 0 HD3 ARG A 462 6.037 -3.807 -7.701 1.00 65.21 H new ATOM 0 HE ARG A 462 5.288 -1.697 -6.102 1.00 11.54 H new ATOM 0 HH11 ARG A 462 6.041 -5.092 -5.499 1.00 33.13 H new ATOM 0 HH12 ARG A 462 6.665 -4.785 -3.874 1.00 33.13 H new ATOM 0 HH21 ARG A 462 6.089 -1.311 -4.013 1.00 50.40 H new ATOM 0 HH22 ARG A 462 6.692 -2.654 -3.037 1.00 50.40 H new ATOM 775 N GLU A 463 1.267 -3.575 -10.175 1.00 4.20 N ATOM 776 CA GLU A 463 1.320 -4.051 -11.552 1.00 20.34 C ATOM 777 C GLU A 463 0.916 -2.947 -12.526 1.00 53.21 C ATOM 778 O GLU A 463 1.398 -2.895 -13.657 1.00 35.53 O ATOM 779 CB GLU A 463 0.405 -5.264 -11.732 1.00 22.45 C ATOM 780 CG GLU A 463 1.003 -6.560 -11.211 1.00 2.12 C ATOM 781 CD GLU A 463 0.582 -7.767 -12.027 1.00 12.44 C ATOM 782 OE1 GLU A 463 1.259 -8.069 -13.031 1.00 71.33 O ATOM 783 OE2 GLU A 463 -0.425 -8.409 -11.660 1.00 42.32 O ATOM 0 H GLU A 463 0.739 -4.174 -9.541 1.00 4.20 H new ATOM 0 HA GLU A 463 2.347 -4.345 -11.768 1.00 20.34 H new ATOM 0 HB2 GLU A 463 -0.538 -5.077 -11.218 1.00 22.45 H new ATOM 0 HB3 GLU A 463 0.174 -5.380 -12.791 1.00 22.45 H new ATOM 0 HG2 GLU A 463 2.090 -6.483 -11.218 1.00 2.12 H new ATOM 0 HG3 GLU A 463 0.701 -6.704 -10.174 1.00 2.12 H new ATOM 790 N SER A 464 0.027 -2.067 -12.076 1.00 61.44 N ATOM 791 CA SER A 464 -0.446 -0.966 -12.908 1.00 43.22 C ATOM 792 C SER A 464 -0.724 0.273 -12.062 1.00 73.43 C ATOM 793 O SER A 464 -1.829 0.819 -12.084 1.00 24.52 O ATOM 794 CB SER A 464 -1.711 -1.377 -13.663 1.00 2.10 C ATOM 795 OG SER A 464 -1.524 -2.608 -14.339 1.00 14.33 O ATOM 0 H SER A 464 -0.380 -2.095 -11.141 1.00 61.44 H new ATOM 0 HA SER A 464 0.336 -0.725 -13.628 1.00 43.22 H new ATOM 0 HB2 SER A 464 -2.543 -1.465 -12.964 1.00 2.10 H new ATOM 0 HB3 SER A 464 -1.978 -0.601 -14.381 1.00 2.10 H new ATOM 0 HG SER A 464 -2.347 -2.849 -14.813 1.00 14.33 H new ATOM 801 N LEU A 465 0.283 0.711 -11.316 1.00 64.50 N ATOM 802 CA LEU A 465 0.149 1.887 -10.462 1.00 33.33 C ATOM 803 C LEU A 465 -0.405 3.071 -11.248 1.00 34.15 C ATOM 804 O LEU A 465 -1.209 3.848 -10.735 1.00 50.01 O ATOM 805 CB LEU A 465 1.501 2.253 -9.850 1.00 1.24 C ATOM 806 CG LEU A 465 2.551 2.799 -10.818 1.00 64.22 C ATOM 807 CD1 LEU A 465 3.669 3.493 -10.058 1.00 4.42 C ATOM 808 CD2 LEU A 465 3.109 1.680 -11.686 1.00 50.12 C ATOM 0 H LEU A 465 1.202 0.270 -11.284 1.00 64.50 H new ATOM 0 HA LEU A 465 -0.552 1.647 -9.662 1.00 33.33 H new ATOM 0 HB2 LEU A 465 1.335 2.995 -9.069 1.00 1.24 H new ATOM 0 HB3 LEU A 465 1.909 1.366 -9.365 1.00 1.24 H new ATOM 0 HG LEU A 465 2.072 3.532 -11.467 1.00 64.22 H new ATOM 0 HD11 LEU A 465 4.406 3.875 -10.764 1.00 4.42 H new ATOM 0 HD12 LEU A 465 3.257 4.321 -9.480 1.00 4.42 H new ATOM 0 HD13 LEU A 465 4.146 2.782 -9.384 1.00 4.42 H new ATOM 0 HD21 LEU A 465 3.855 2.087 -12.369 1.00 50.12 H new ATOM 0 HD22 LEU A 465 3.572 0.924 -11.052 1.00 50.12 H new ATOM 0 HD23 LEU A 465 2.301 1.227 -12.260 1.00 50.12 H new