USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 290 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: S 9 THR OG1 : rot -113:sc= -0.281 USER MOD Set 1.2: S 12 GLN : amide:sc= -5.29! C(o=-5.6!,f=-7.9!) USER MOD Single : S 5 TYR OH : rot 180:sc= 0 USER MOD Single : S 6 SER OG : rot 180:sc= 0 USER MOD Single : S 7 SER OG : rot 45:sc= 0.00156 USER MOD Single : S 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 18 THR OG1 : rot 65:sc= 1.01 USER MOD Single : S 19 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.514) USER MOD Single : S 21 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : S 23 SER OG : rot 180:sc= 0.228 USER MOD Single : S 28 LYS NZ :NH3+ -145:sc= -0.0556 (180deg=-0.937) USER MOD Single : S 29 ASN : amide:sc= -0.679 K(o=-0.68,f=-3.2!) USER MOD Single : S 33 GLN : amide:sc= -0.0458 K(o=-0.046,f=-2.4!) USER MOD Single : S 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP S 4 28.358 12.861 21.778 1.00 0.00 N ATOM 32 CA ASP S 4 28.498 12.168 20.464 1.00 0.00 C ATOM 33 C ASP S 4 29.306 13.030 19.490 1.00 0.00 C ATOM 34 O ASP S 4 30.518 13.004 19.486 1.00 0.00 O ATOM 35 CB ASP S 4 27.068 11.957 19.938 1.00 0.00 C ATOM 36 CG ASP S 4 26.170 13.125 20.361 1.00 0.00 C ATOM 37 OD1 ASP S 4 25.579 13.037 21.424 1.00 0.00 O ATOM 38 OD2 ASP S 4 26.090 14.085 19.613 1.00 0.00 O ATOM 0 HA ASP S 4 29.026 11.220 20.568 1.00 0.00 H new ATOM 0 HB2 ASP S 4 27.081 11.874 18.851 1.00 0.00 H new ATOM 0 HB3 ASP S 4 26.665 11.021 20.324 1.00 0.00 H new ATOM 43 N TYR S 5 28.637 13.784 18.663 1.00 0.00 N ATOM 44 CA TYR S 5 29.350 14.645 17.667 1.00 0.00 C ATOM 45 C TYR S 5 30.428 15.472 18.349 1.00 0.00 C ATOM 46 O TYR S 5 31.379 15.888 17.713 1.00 0.00 O ATOM 47 CB TYR S 5 28.277 15.578 17.104 1.00 0.00 C ATOM 48 CG TYR S 5 27.035 14.788 16.807 1.00 0.00 C ATOM 49 CD1 TYR S 5 27.136 13.577 16.118 1.00 0.00 C ATOM 50 CD2 TYR S 5 25.788 15.256 17.235 1.00 0.00 C ATOM 51 CE1 TYR S 5 25.983 12.830 15.846 1.00 0.00 C ATOM 52 CE2 TYR S 5 24.634 14.510 16.966 1.00 0.00 C ATOM 53 CZ TYR S 5 24.732 13.296 16.271 1.00 0.00 C ATOM 54 OH TYR S 5 23.596 12.559 16.007 1.00 0.00 O ATOM 0 H TYR S 5 27.619 13.844 18.631 1.00 0.00 H new ATOM 0 HA TYR S 5 29.835 14.046 16.896 1.00 0.00 H new ATOM 0 HB2 TYR S 5 28.055 16.369 17.820 1.00 0.00 H new ATOM 0 HB3 TYR S 5 28.639 16.061 16.197 1.00 0.00 H new ATOM 0 HD1 TYR S 5 28.102 13.217 15.796 1.00 0.00 H new ATOM 0 HD2 TYR S 5 25.716 16.190 17.772 1.00 0.00 H new ATOM 0 HE1 TYR S 5 26.058 11.896 15.309 1.00 0.00 H new ATOM 0 HE2 TYR S 5 23.670 14.869 17.293 1.00 0.00 H new ATOM 0 HH TYR S 5 22.813 13.023 16.371 1.00 0.00 H new ATOM 64 N SER S 6 30.256 15.709 19.630 1.00 0.00 N ATOM 65 CA SER S 6 31.226 16.521 20.435 1.00 0.00 C ATOM 66 C SER S 6 32.524 16.797 19.672 1.00 0.00 C ATOM 67 O SER S 6 32.923 17.934 19.512 1.00 0.00 O ATOM 68 CB SER S 6 31.508 15.672 21.673 1.00 0.00 C ATOM 69 OG SER S 6 30.847 16.243 22.794 1.00 0.00 O ATOM 0 H SER S 6 29.460 15.363 20.165 1.00 0.00 H new ATOM 0 HA SER S 6 30.814 17.501 20.675 1.00 0.00 H new ATOM 0 HB2 SER S 6 31.163 14.650 21.514 1.00 0.00 H new ATOM 0 HB3 SER S 6 32.581 15.621 21.856 1.00 0.00 H new ATOM 0 HG SER S 6 31.024 15.700 23.590 1.00 0.00 H new ATOM 75 N SER S 7 33.194 15.780 19.195 1.00 0.00 N ATOM 76 CA SER S 7 34.456 16.037 18.451 1.00 0.00 C ATOM 77 C SER S 7 34.782 14.923 17.444 1.00 0.00 C ATOM 78 O SER S 7 35.921 14.515 17.334 1.00 0.00 O ATOM 79 CB SER S 7 35.535 16.105 19.529 1.00 0.00 C ATOM 80 OG SER S 7 36.044 17.430 19.601 1.00 0.00 O ATOM 0 H SER S 7 32.926 14.800 19.287 1.00 0.00 H new ATOM 0 HA SER S 7 34.381 16.950 17.861 1.00 0.00 H new ATOM 0 HB2 SER S 7 35.121 15.809 20.493 1.00 0.00 H new ATOM 0 HB3 SER S 7 36.339 15.406 19.299 1.00 0.00 H new ATOM 0 HG SER S 7 35.300 18.068 19.583 1.00 0.00 H new ATOM 86 N LEU S 8 33.832 14.440 16.675 1.00 0.00 N ATOM 87 CA LEU S 8 34.219 13.384 15.675 1.00 0.00 C ATOM 88 C LEU S 8 34.891 14.076 14.499 1.00 0.00 C ATOM 89 O LEU S 8 34.671 15.243 14.260 1.00 0.00 O ATOM 90 CB LEU S 8 32.958 12.647 15.153 1.00 0.00 C ATOM 91 CG LEU S 8 31.704 13.006 15.938 1.00 0.00 C ATOM 92 CD1 LEU S 8 30.551 12.110 15.478 1.00 0.00 C ATOM 93 CD2 LEU S 8 31.972 12.761 17.417 1.00 0.00 C ATOM 0 H LEU S 8 32.849 14.713 16.690 1.00 0.00 H new ATOM 0 HA LEU S 8 34.885 12.662 16.147 1.00 0.00 H new ATOM 0 HB2 LEU S 8 32.807 12.893 14.102 1.00 0.00 H new ATOM 0 HB3 LEU S 8 33.121 11.571 15.209 1.00 0.00 H new ATOM 0 HG LEU S 8 31.442 14.051 15.773 1.00 0.00 H new ATOM 0 HD11 LEU S 8 29.649 12.362 16.036 1.00 0.00 H new ATOM 0 HD12 LEU S 8 30.373 12.263 14.414 1.00 0.00 H new ATOM 0 HD13 LEU S 8 30.808 11.066 15.656 1.00 0.00 H new ATOM 0 HD21 LEU S 8 31.083 13.013 17.995 1.00 0.00 H new ATOM 0 HD22 LEU S 8 32.220 11.711 17.573 1.00 0.00 H new ATOM 0 HD23 LEU S 8 32.805 13.383 17.744 1.00 0.00 H new ATOM 105 N THR S 9 35.685 13.379 13.745 1.00 0.00 N ATOM 106 CA THR S 9 36.321 14.037 12.576 1.00 0.00 C ATOM 107 C THR S 9 35.264 14.181 11.482 1.00 0.00 C ATOM 108 O THR S 9 34.233 13.539 11.525 1.00 0.00 O ATOM 109 CB THR S 9 37.441 13.096 12.132 1.00 0.00 C ATOM 110 OG1 THR S 9 36.880 11.982 11.454 1.00 0.00 O ATOM 111 CG2 THR S 9 38.221 12.614 13.356 1.00 0.00 C ATOM 0 H THR S 9 35.920 12.396 13.883 1.00 0.00 H new ATOM 0 HA THR S 9 36.719 15.027 12.801 1.00 0.00 H new ATOM 0 HB THR S 9 38.117 13.626 11.461 1.00 0.00 H new ATOM 0 HG1 THR S 9 37.018 11.171 11.987 1.00 0.00 H new ATOM 0 HG21 THR S 9 39.019 11.943 13.038 1.00 0.00 H new ATOM 0 HG22 THR S 9 38.652 13.471 13.873 1.00 0.00 H new ATOM 0 HG23 THR S 9 37.549 12.084 14.030 1.00 0.00 H new ATOM 119 N VAL S 10 35.487 15.015 10.513 1.00 0.00 N ATOM 120 CA VAL S 10 34.470 15.183 9.449 1.00 0.00 C ATOM 121 C VAL S 10 34.058 13.813 8.905 1.00 0.00 C ATOM 122 O VAL S 10 32.956 13.632 8.426 1.00 0.00 O ATOM 123 CB VAL S 10 35.157 16.029 8.378 1.00 0.00 C ATOM 124 CG1 VAL S 10 35.182 17.492 8.821 1.00 0.00 C ATOM 125 CG2 VAL S 10 36.588 15.541 8.171 1.00 0.00 C ATOM 0 H VAL S 10 36.326 15.586 10.412 1.00 0.00 H new ATOM 0 HA VAL S 10 33.558 15.662 9.805 1.00 0.00 H new ATOM 0 HB VAL S 10 34.605 15.938 7.443 1.00 0.00 H new ATOM 0 HG11 VAL S 10 35.672 18.095 8.057 1.00 0.00 H new ATOM 0 HG12 VAL S 10 34.161 17.846 8.964 1.00 0.00 H new ATOM 0 HG13 VAL S 10 35.731 17.579 9.759 1.00 0.00 H new ATOM 0 HG21 VAL S 10 37.072 16.148 7.406 1.00 0.00 H new ATOM 0 HG22 VAL S 10 37.141 15.627 9.107 1.00 0.00 H new ATOM 0 HG23 VAL S 10 36.574 14.499 7.852 1.00 0.00 H new ATOM 135 N VAL S 11 34.930 12.844 8.981 1.00 0.00 N ATOM 136 CA VAL S 11 34.575 11.487 8.474 1.00 0.00 C ATOM 137 C VAL S 11 33.475 10.862 9.345 1.00 0.00 C ATOM 138 O VAL S 11 32.497 10.340 8.841 1.00 0.00 O ATOM 139 CB VAL S 11 35.870 10.679 8.579 1.00 0.00 C ATOM 140 CG1 VAL S 11 35.554 9.183 8.519 1.00 0.00 C ATOM 141 CG2 VAL S 11 36.794 11.050 7.418 1.00 0.00 C ATOM 0 H VAL S 11 35.869 12.932 9.370 1.00 0.00 H new ATOM 0 HA VAL S 11 34.190 11.513 7.455 1.00 0.00 H new ATOM 0 HB VAL S 11 36.360 10.905 9.526 1.00 0.00 H new ATOM 0 HG11 VAL S 11 36.480 8.612 8.594 1.00 0.00 H new ATOM 0 HG12 VAL S 11 34.895 8.917 9.346 1.00 0.00 H new ATOM 0 HG13 VAL S 11 35.062 8.953 7.574 1.00 0.00 H new ATOM 0 HG21 VAL S 11 37.718 10.476 7.490 1.00 0.00 H new ATOM 0 HG22 VAL S 11 36.300 10.825 6.473 1.00 0.00 H new ATOM 0 HG23 VAL S 11 37.024 12.114 7.462 1.00 0.00 H new ATOM 151 N GLN S 12 33.606 10.922 10.646 1.00 0.00 N ATOM 152 CA GLN S 12 32.530 10.331 11.505 1.00 0.00 C ATOM 153 C GLN S 12 31.307 11.236 11.448 1.00 0.00 C ATOM 154 O GLN S 12 30.195 10.780 11.291 1.00 0.00 O ATOM 155 CB GLN S 12 33.028 10.242 12.965 1.00 0.00 C ATOM 156 CG GLN S 12 34.537 10.457 13.083 1.00 0.00 C ATOM 157 CD GLN S 12 35.276 9.506 12.137 1.00 0.00 C ATOM 158 OE1 GLN S 12 36.423 9.730 11.805 1.00 0.00 O ATOM 159 NE2 GLN S 12 34.666 8.443 11.690 1.00 0.00 N ATOM 0 H GLN S 12 34.391 11.343 11.143 1.00 0.00 H new ATOM 0 HA GLN S 12 32.276 9.333 11.147 1.00 0.00 H new ATOM 0 HB2 GLN S 12 32.510 10.987 13.568 1.00 0.00 H new ATOM 0 HB3 GLN S 12 32.770 9.265 13.374 1.00 0.00 H new ATOM 0 HG2 GLN S 12 34.786 11.490 12.841 1.00 0.00 H new ATOM 0 HG3 GLN S 12 34.858 10.284 14.110 1.00 0.00 H new ATOM 0 HE21 GLN S 12 33.703 8.253 11.967 1.00 0.00 H new ATOM 0 HE22 GLN S 12 35.152 7.802 11.063 1.00 0.00 H new ATOM 168 N LEU S 13 31.512 12.523 11.548 1.00 0.00 N ATOM 169 CA LEU S 13 30.356 13.459 11.491 1.00 0.00 C ATOM 170 C LEU S 13 29.615 13.221 10.173 1.00 0.00 C ATOM 171 O LEU S 13 28.395 13.191 10.114 1.00 0.00 O ATOM 172 CB LEU S 13 30.961 14.875 11.509 1.00 0.00 C ATOM 173 CG LEU S 13 31.956 15.057 12.660 1.00 0.00 C ATOM 174 CD1 LEU S 13 32.920 16.188 12.301 1.00 0.00 C ATOM 175 CD2 LEU S 13 31.216 15.437 13.936 1.00 0.00 C ATOM 0 H LEU S 13 32.425 12.962 11.666 1.00 0.00 H new ATOM 0 HA LEU S 13 29.658 13.321 12.317 1.00 0.00 H new ATOM 0 HB2 LEU S 13 31.464 15.067 10.561 1.00 0.00 H new ATOM 0 HB3 LEU S 13 30.161 15.610 11.601 1.00 0.00 H new ATOM 0 HG LEU S 13 32.497 14.124 12.819 1.00 0.00 H new ATOM 0 HD11 LEU S 13 33.634 16.328 13.112 1.00 0.00 H new ATOM 0 HD12 LEU S 13 33.455 15.933 11.386 1.00 0.00 H new ATOM 0 HD13 LEU S 13 32.359 17.110 12.148 1.00 0.00 H new ATOM 0 HD21 LEU S 13 31.932 15.564 14.748 1.00 0.00 H new ATOM 0 HD22 LEU S 13 30.676 16.371 13.779 1.00 0.00 H new ATOM 0 HD23 LEU S 13 30.510 14.649 14.195 1.00 0.00 H new ATOM 187 N LYS S 14 30.356 13.025 9.118 1.00 0.00 N ATOM 188 CA LYS S 14 29.725 12.761 7.800 1.00 0.00 C ATOM 189 C LYS S 14 29.061 11.384 7.820 1.00 0.00 C ATOM 190 O LYS S 14 28.045 11.169 7.191 1.00 0.00 O ATOM 191 CB LYS S 14 30.876 12.792 6.795 1.00 0.00 C ATOM 192 CG LYS S 14 30.337 12.514 5.391 1.00 0.00 C ATOM 193 CD LYS S 14 31.500 12.172 4.458 1.00 0.00 C ATOM 194 CE LYS S 14 31.021 12.219 3.006 1.00 0.00 C ATOM 195 NZ LYS S 14 32.231 11.914 2.192 1.00 0.00 N ATOM 0 H LYS S 14 31.376 13.037 9.115 1.00 0.00 H new ATOM 0 HA LYS S 14 28.954 13.489 7.548 1.00 0.00 H new ATOM 0 HB2 LYS S 14 31.369 13.764 6.821 1.00 0.00 H new ATOM 0 HB3 LYS S 14 31.626 12.047 7.062 1.00 0.00 H new ATOM 0 HG2 LYS S 14 29.625 11.689 5.420 1.00 0.00 H new ATOM 0 HG3 LYS S 14 29.800 13.386 5.016 1.00 0.00 H new ATOM 0 HD2 LYS S 14 32.318 12.878 4.605 1.00 0.00 H new ATOM 0 HD3 LYS S 14 31.888 11.181 4.692 1.00 0.00 H new ATOM 0 HE2 LYS S 14 30.231 11.490 2.827 1.00 0.00 H new ATOM 0 HE3 LYS S 14 30.614 13.199 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS S 14 31.983 11.928 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS S 14 32.964 12.628 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS S 14 32.593 10.973 2.447 1.00 0.00 H new ATOM 209 N ASP S 15 29.622 10.446 8.541 1.00 0.00 N ATOM 210 CA ASP S 15 29.000 9.094 8.590 1.00 0.00 C ATOM 211 C ASP S 15 27.646 9.165 9.306 1.00 0.00 C ATOM 212 O ASP S 15 26.645 8.687 8.804 1.00 0.00 O ATOM 213 CB ASP S 15 29.983 8.233 9.383 1.00 0.00 C ATOM 214 CG ASP S 15 29.468 6.794 9.442 1.00 0.00 C ATOM 215 OD1 ASP S 15 28.262 6.615 9.406 1.00 0.00 O ATOM 216 OD2 ASP S 15 30.289 5.895 9.522 1.00 0.00 O ATOM 0 H ASP S 15 30.474 10.558 9.091 1.00 0.00 H new ATOM 0 HA ASP S 15 28.815 8.686 7.596 1.00 0.00 H new ATOM 0 HB2 ASP S 15 30.967 8.260 8.914 1.00 0.00 H new ATOM 0 HB3 ASP S 15 30.100 8.630 10.391 1.00 0.00 H new ATOM 221 N LEU S 16 27.595 9.767 10.468 1.00 0.00 N ATOM 222 CA LEU S 16 26.288 9.858 11.177 1.00 0.00 C ATOM 223 C LEU S 16 25.293 10.656 10.332 1.00 0.00 C ATOM 224 O LEU S 16 24.156 10.258 10.171 1.00 0.00 O ATOM 225 CB LEU S 16 26.522 10.565 12.530 1.00 0.00 C ATOM 226 CG LEU S 16 27.693 11.550 12.494 1.00 0.00 C ATOM 227 CD1 LEU S 16 27.236 12.886 13.059 1.00 0.00 C ATOM 228 CD2 LEU S 16 28.835 11.016 13.365 1.00 0.00 C ATOM 0 H LEU S 16 28.389 10.192 10.948 1.00 0.00 H new ATOM 0 HA LEU S 16 25.877 8.862 11.342 1.00 0.00 H new ATOM 0 HB2 LEU S 16 25.615 11.097 12.817 1.00 0.00 H new ATOM 0 HB3 LEU S 16 26.709 9.815 13.298 1.00 0.00 H new ATOM 0 HG LEU S 16 28.035 11.671 11.466 1.00 0.00 H new ATOM 0 HD11 LEU S 16 28.065 13.593 13.037 1.00 0.00 H new ATOM 0 HD12 LEU S 16 26.413 13.273 12.458 1.00 0.00 H new ATOM 0 HD13 LEU S 16 26.902 12.751 14.088 1.00 0.00 H new ATOM 0 HD21 LEU S 16 29.670 11.717 13.340 1.00 0.00 H new ATOM 0 HD22 LEU S 16 28.487 10.902 14.392 1.00 0.00 H new ATOM 0 HD23 LEU S 16 29.162 10.049 12.984 1.00 0.00 H new ATOM 240 N LEU S 17 25.702 11.769 9.776 1.00 0.00 N ATOM 241 CA LEU S 17 24.756 12.558 8.945 1.00 0.00 C ATOM 242 C LEU S 17 24.432 11.802 7.661 1.00 0.00 C ATOM 243 O LEU S 17 23.322 11.853 7.167 1.00 0.00 O ATOM 244 CB LEU S 17 25.473 13.881 8.678 1.00 0.00 C ATOM 245 CG LEU S 17 25.216 14.846 9.846 1.00 0.00 C ATOM 246 CD1 LEU S 17 25.427 16.284 9.406 1.00 0.00 C ATOM 247 CD2 LEU S 17 23.797 14.720 10.397 1.00 0.00 C ATOM 0 H LEU S 17 26.641 12.158 9.863 1.00 0.00 H new ATOM 0 HA LEU S 17 23.798 12.731 9.436 1.00 0.00 H new ATOM 0 HB2 LEU S 17 26.543 13.710 8.562 1.00 0.00 H new ATOM 0 HB3 LEU S 17 25.117 14.318 7.745 1.00 0.00 H new ATOM 0 HG LEU S 17 25.924 14.577 10.630 1.00 0.00 H new ATOM 0 HD11 LEU S 17 25.240 16.953 10.246 1.00 0.00 H new ATOM 0 HD12 LEU S 17 26.453 16.412 9.061 1.00 0.00 H new ATOM 0 HD13 LEU S 17 24.739 16.521 8.594 1.00 0.00 H new ATOM 0 HD21 LEU S 17 23.663 15.421 11.220 1.00 0.00 H new ATOM 0 HD22 LEU S 17 23.079 14.945 9.608 1.00 0.00 H new ATOM 0 HD23 LEU S 17 23.635 13.704 10.756 1.00 0.00 H new ATOM 259 N THR S 18 25.371 11.070 7.134 1.00 0.00 N ATOM 260 CA THR S 18 25.071 10.286 5.910 1.00 0.00 C ATOM 261 C THR S 18 23.928 9.327 6.244 1.00 0.00 C ATOM 262 O THR S 18 22.985 9.174 5.494 1.00 0.00 O ATOM 263 CB THR S 18 26.355 9.517 5.594 1.00 0.00 C ATOM 264 OG1 THR S 18 27.310 10.406 5.032 1.00 0.00 O ATOM 265 CG2 THR S 18 26.051 8.397 4.600 1.00 0.00 C ATOM 0 H THR S 18 26.321 10.982 7.493 1.00 0.00 H new ATOM 0 HA THR S 18 24.772 10.898 5.059 1.00 0.00 H new ATOM 0 HB THR S 18 26.755 9.085 6.511 1.00 0.00 H new ATOM 0 HG1 THR S 18 27.560 11.081 5.697 1.00 0.00 H new ATOM 0 HG21 THR S 18 26.967 7.850 4.376 1.00 0.00 H new ATOM 0 HG22 THR S 18 25.318 7.716 5.033 1.00 0.00 H new ATOM 0 HG23 THR S 18 25.650 8.825 3.681 1.00 0.00 H new ATOM 273 N LYS S 19 24.002 8.704 7.392 1.00 0.00 N ATOM 274 CA LYS S 19 22.917 7.775 7.815 1.00 0.00 C ATOM 275 C LYS S 19 21.727 8.578 8.355 1.00 0.00 C ATOM 276 O LYS S 19 20.630 8.073 8.483 1.00 0.00 O ATOM 277 CB LYS S 19 23.535 6.922 8.924 1.00 0.00 C ATOM 278 CG LYS S 19 23.807 5.512 8.396 1.00 0.00 C ATOM 279 CD LYS S 19 24.353 4.640 9.529 1.00 0.00 C ATOM 280 CE LYS S 19 24.230 3.165 9.144 1.00 0.00 C ATOM 281 NZ LYS S 19 25.121 3.000 7.962 1.00 0.00 N ATOM 0 H LYS S 19 24.771 8.801 8.055 1.00 0.00 H new ATOM 0 HA LYS S 19 22.547 7.163 6.992 1.00 0.00 H new ATOM 0 HB2 LYS S 19 24.463 7.376 9.272 1.00 0.00 H new ATOM 0 HB3 LYS S 19 22.862 6.877 9.780 1.00 0.00 H new ATOM 0 HG2 LYS S 19 22.890 5.078 7.998 1.00 0.00 H new ATOM 0 HG3 LYS S 19 24.523 5.551 7.575 1.00 0.00 H new ATOM 0 HD2 LYS S 19 25.396 4.890 9.724 1.00 0.00 H new ATOM 0 HD3 LYS S 19 23.801 4.834 10.449 1.00 0.00 H new ATOM 0 HE2 LYS S 19 24.538 2.516 9.964 1.00 0.00 H new ATOM 0 HE3 LYS S 19 23.200 2.905 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS S 19 25.374 1.997 7.855 1.00 0.00 H new ATOM 0 HZ2 LYS S 19 24.627 3.325 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS S 19 25.985 3.563 8.097 1.00 0.00 H new ATOM 295 N ARG S 20 21.942 9.829 8.677 1.00 0.00 N ATOM 296 CA ARG S 20 20.832 10.670 9.217 1.00 0.00 C ATOM 297 C ARG S 20 20.054 11.323 8.072 1.00 0.00 C ATOM 298 O ARG S 20 19.060 11.987 8.289 1.00 0.00 O ATOM 299 CB ARG S 20 21.536 11.750 10.044 1.00 0.00 C ATOM 300 CG ARG S 20 21.042 11.718 11.488 1.00 0.00 C ATOM 301 CD ARG S 20 21.649 12.902 12.249 1.00 0.00 C ATOM 302 NE ARG S 20 21.050 12.833 13.611 1.00 0.00 N ATOM 303 CZ ARG S 20 19.915 13.430 13.855 1.00 0.00 C ATOM 304 NH1 ARG S 20 19.902 14.581 14.468 1.00 0.00 N ATOM 305 NH2 ARG S 20 18.795 12.875 13.483 1.00 0.00 N ATOM 0 H ARG S 20 22.840 10.304 8.589 1.00 0.00 H new ATOM 0 HA ARG S 20 20.120 10.087 9.801 1.00 0.00 H new ATOM 0 HB2 ARG S 20 22.614 11.592 10.018 1.00 0.00 H new ATOM 0 HB3 ARG S 20 21.347 12.732 9.609 1.00 0.00 H new ATOM 0 HG2 ARG S 20 19.954 11.771 11.515 1.00 0.00 H new ATOM 0 HG3 ARG S 20 21.327 10.779 11.963 1.00 0.00 H new ATOM 0 HD2 ARG S 20 22.736 12.828 12.292 1.00 0.00 H new ATOM 0 HD3 ARG S 20 21.412 13.848 11.761 1.00 0.00 H new ATOM 0 HE ARG S 20 21.526 12.320 14.353 1.00 0.00 H new ATOM 0 HH11 ARG S 20 20.779 15.015 14.757 1.00 0.00 H new ATOM 0 HH12 ARG S 20 19.015 15.047 14.659 1.00 0.00 H new ATOM 0 HH21 ARG S 20 18.807 11.976 13.002 1.00 0.00 H new ATOM 0 HH22 ARG S 20 17.907 13.340 13.673 1.00 0.00 H new ATOM 319 N ASN S 21 20.510 11.166 6.859 1.00 0.00 N ATOM 320 CA ASN S 21 19.806 11.808 5.715 1.00 0.00 C ATOM 321 C ASN S 21 20.021 13.311 5.821 1.00 0.00 C ATOM 322 O ASN S 21 19.258 14.107 5.310 1.00 0.00 O ATOM 323 CB ASN S 21 18.328 11.449 5.882 1.00 0.00 C ATOM 324 CG ASN S 21 17.688 11.270 4.504 1.00 0.00 C ATOM 325 OD1 ASN S 21 18.047 10.373 3.767 1.00 0.00 O ATOM 326 ND2 ASN S 21 16.750 12.092 4.123 1.00 0.00 N ATOM 0 H ASN S 21 21.337 10.622 6.612 1.00 0.00 H new ATOM 0 HA ASN S 21 20.168 11.477 4.741 1.00 0.00 H new ATOM 0 HB2 ASN S 21 18.229 10.532 6.463 1.00 0.00 H new ATOM 0 HB3 ASN S 21 17.812 12.234 6.435 1.00 0.00 H new ATOM 0 HD21 ASN S 21 16.317 11.982 3.206 1.00 0.00 H new ATOM 0 HD22 ASN S 21 16.449 12.845 4.742 1.00 0.00 H new ATOM 333 N LEU S 22 21.063 13.694 6.503 1.00 0.00 N ATOM 334 CA LEU S 22 21.363 15.135 6.681 1.00 0.00 C ATOM 335 C LEU S 22 22.879 15.330 6.711 1.00 0.00 C ATOM 336 O LEU S 22 23.479 15.421 7.756 1.00 0.00 O ATOM 337 CB LEU S 22 20.729 15.485 8.033 1.00 0.00 C ATOM 338 CG LEU S 22 20.871 16.982 8.334 1.00 0.00 C ATOM 339 CD1 LEU S 22 22.213 17.223 9.018 1.00 0.00 C ATOM 340 CD2 LEU S 22 20.803 17.801 7.037 1.00 0.00 C ATOM 0 H LEU S 22 21.726 13.060 6.949 1.00 0.00 H new ATOM 0 HA LEU S 22 20.978 15.767 5.880 1.00 0.00 H new ATOM 0 HB2 LEU S 22 19.674 15.210 8.026 1.00 0.00 H new ATOM 0 HB3 LEU S 22 21.205 14.904 8.823 1.00 0.00 H new ATOM 0 HG LEU S 22 20.055 17.295 8.985 1.00 0.00 H new ATOM 0 HD11 LEU S 22 22.324 18.285 9.237 1.00 0.00 H new ATOM 0 HD12 LEU S 22 22.255 16.655 9.947 1.00 0.00 H new ATOM 0 HD13 LEU S 22 23.020 16.902 8.359 1.00 0.00 H new ATOM 0 HD21 LEU S 22 20.906 18.861 7.270 1.00 0.00 H new ATOM 0 HD22 LEU S 22 21.611 17.496 6.371 1.00 0.00 H new ATOM 0 HD23 LEU S 22 19.845 17.628 6.547 1.00 0.00 H new ATOM 352 N SER S 23 23.501 15.363 5.565 1.00 0.00 N ATOM 353 CA SER S 23 24.981 15.512 5.504 1.00 0.00 C ATOM 354 C SER S 23 25.483 16.633 6.402 1.00 0.00 C ATOM 355 O SER S 23 24.733 17.268 7.106 1.00 0.00 O ATOM 356 CB SER S 23 25.294 15.856 4.062 1.00 0.00 C ATOM 357 OG SER S 23 24.178 15.534 3.241 1.00 0.00 O ATOM 0 H SER S 23 23.040 15.292 4.658 1.00 0.00 H new ATOM 0 HA SER S 23 25.466 14.597 5.844 1.00 0.00 H new ATOM 0 HB2 SER S 23 25.529 16.917 3.974 1.00 0.00 H new ATOM 0 HB3 SER S 23 26.174 15.306 3.729 1.00 0.00 H new ATOM 0 HG SER S 23 24.382 15.759 2.309 1.00 0.00 H new ATOM 363 N VAL S 24 26.765 16.874 6.360 1.00 0.00 N ATOM 364 CA VAL S 24 27.364 17.953 7.195 1.00 0.00 C ATOM 365 C VAL S 24 28.026 19.000 6.292 1.00 0.00 C ATOM 366 O VAL S 24 29.236 19.090 6.219 1.00 0.00 O ATOM 367 CB VAL S 24 28.427 17.282 8.080 1.00 0.00 C ATOM 368 CG1 VAL S 24 27.991 17.318 9.541 1.00 0.00 C ATOM 369 CG2 VAL S 24 28.644 15.824 7.666 1.00 0.00 C ATOM 0 H VAL S 24 27.429 16.364 5.777 1.00 0.00 H new ATOM 0 HA VAL S 24 26.607 18.454 7.797 1.00 0.00 H new ATOM 0 HB VAL S 24 29.360 17.832 7.955 1.00 0.00 H new ATOM 0 HG11 VAL S 24 28.751 16.840 10.159 1.00 0.00 H new ATOM 0 HG12 VAL S 24 27.864 18.353 9.857 1.00 0.00 H new ATOM 0 HG13 VAL S 24 27.046 16.786 9.652 1.00 0.00 H new ATOM 0 HG21 VAL S 24 29.401 15.372 8.308 1.00 0.00 H new ATOM 0 HG22 VAL S 24 27.708 15.274 7.766 1.00 0.00 H new ATOM 0 HG23 VAL S 24 28.978 15.786 6.629 1.00 0.00 H new ATOM 412 N LYS S 28 34.983 21.335 9.425 1.00 0.00 N ATOM 413 CA LYS S 28 34.880 20.385 10.571 1.00 0.00 C ATOM 414 C LYS S 28 34.039 20.996 11.702 1.00 0.00 C ATOM 415 O LYS S 28 33.127 20.373 12.217 1.00 0.00 O ATOM 416 CB LYS S 28 36.334 20.162 11.007 1.00 0.00 C ATOM 417 CG LYS S 28 36.396 19.707 12.469 1.00 0.00 C ATOM 418 CD LYS S 28 35.864 18.279 12.588 1.00 0.00 C ATOM 419 CE LYS S 28 34.787 18.234 13.674 1.00 0.00 C ATOM 420 NZ LYS S 28 35.482 18.654 14.922 1.00 0.00 N ATOM 0 HA LYS S 28 34.387 19.450 10.306 1.00 0.00 H new ATOM 0 HB2 LYS S 28 36.800 19.412 10.367 1.00 0.00 H new ATOM 0 HB3 LYS S 28 36.902 21.084 10.883 1.00 0.00 H new ATOM 0 HG2 LYS S 28 37.423 19.754 12.831 1.00 0.00 H new ATOM 0 HG3 LYS S 28 35.807 20.378 13.094 1.00 0.00 H new ATOM 0 HD2 LYS S 28 35.450 17.951 11.634 1.00 0.00 H new ATOM 0 HD3 LYS S 28 36.676 17.595 12.835 1.00 0.00 H new ATOM 0 HE2 LYS S 28 33.960 18.904 13.438 1.00 0.00 H new ATOM 0 HE3 LYS S 28 34.368 17.233 13.773 1.00 0.00 H new ATOM 0 HZ1 LYS S 28 35.090 18.131 15.731 1.00 0.00 H new ATOM 0 HZ2 LYS S 28 36.499 18.451 14.838 1.00 0.00 H new ATOM 0 HZ3 LYS S 28 35.344 19.674 15.070 1.00 0.00 H new ATOM 434 N ASN S 29 34.309 22.213 12.087 1.00 0.00 N ATOM 435 CA ASN S 29 33.486 22.822 13.167 1.00 0.00 C ATOM 436 C ASN S 29 32.049 22.935 12.678 1.00 0.00 C ATOM 437 O ASN S 29 31.110 22.688 13.410 1.00 0.00 O ATOM 438 CB ASN S 29 34.077 24.205 13.430 1.00 0.00 C ATOM 439 CG ASN S 29 35.591 24.086 13.620 1.00 0.00 C ATOM 440 OD1 ASN S 29 36.108 23.003 13.806 1.00 0.00 O ATOM 441 ND2 ASN S 29 36.328 25.162 13.579 1.00 0.00 N ATOM 0 H ASN S 29 35.050 22.802 11.708 1.00 0.00 H new ATOM 0 HA ASN S 29 33.490 22.226 14.080 1.00 0.00 H new ATOM 0 HB2 ASN S 29 33.856 24.871 12.596 1.00 0.00 H new ATOM 0 HB3 ASN S 29 33.622 24.644 14.318 1.00 0.00 H new ATOM 0 HD21 ASN S 29 37.338 25.093 13.703 1.00 0.00 H new ATOM 0 HD22 ASN S 29 35.894 26.072 13.423 1.00 0.00 H new ATOM 448 N GLU S 30 31.868 23.280 11.432 1.00 0.00 N ATOM 449 CA GLU S 30 30.488 23.373 10.895 1.00 0.00 C ATOM 450 C GLU S 30 29.807 22.027 11.113 1.00 0.00 C ATOM 451 O GLU S 30 28.652 21.957 11.484 1.00 0.00 O ATOM 452 CB GLU S 30 30.645 23.672 9.405 1.00 0.00 C ATOM 453 CG GLU S 30 30.709 25.185 9.192 1.00 0.00 C ATOM 454 CD GLU S 30 29.343 25.803 9.494 1.00 0.00 C ATOM 455 OE1 GLU S 30 28.347 25.184 9.156 1.00 0.00 O ATOM 456 OE2 GLU S 30 29.314 26.884 10.059 1.00 0.00 O ATOM 0 H GLU S 30 32.612 23.499 10.770 1.00 0.00 H new ATOM 0 HA GLU S 30 29.886 24.143 11.378 1.00 0.00 H new ATOM 0 HB2 GLU S 30 31.551 23.202 9.022 1.00 0.00 H new ATOM 0 HB3 GLU S 30 29.808 23.251 8.849 1.00 0.00 H new ATOM 0 HG2 GLU S 30 31.469 25.622 9.840 1.00 0.00 H new ATOM 0 HG3 GLU S 30 31.001 25.406 8.165 1.00 0.00 H new ATOM 463 N LEU S 31 30.527 20.950 10.922 1.00 0.00 N ATOM 464 CA LEU S 31 29.929 19.622 11.160 1.00 0.00 C ATOM 465 C LEU S 31 29.523 19.550 12.621 1.00 0.00 C ATOM 466 O LEU S 31 28.420 19.189 12.956 1.00 0.00 O ATOM 467 CB LEU S 31 31.055 18.624 10.882 1.00 0.00 C ATOM 468 CG LEU S 31 31.516 18.652 9.412 1.00 0.00 C ATOM 469 CD1 LEU S 31 31.395 17.239 8.838 1.00 0.00 C ATOM 470 CD2 LEU S 31 30.671 19.620 8.567 1.00 0.00 C ATOM 0 H LEU S 31 31.499 20.943 10.613 1.00 0.00 H new ATOM 0 HA LEU S 31 29.055 19.422 10.540 1.00 0.00 H new ATOM 0 HB2 LEU S 31 31.903 18.847 11.530 1.00 0.00 H new ATOM 0 HB3 LEU S 31 30.717 17.619 11.135 1.00 0.00 H new ATOM 0 HG LEU S 31 32.549 19.000 9.379 1.00 0.00 H new ATOM 0 HD11 LEU S 31 31.718 17.240 7.797 1.00 0.00 H new ATOM 0 HD12 LEU S 31 32.024 16.558 9.412 1.00 0.00 H new ATOM 0 HD13 LEU S 31 30.357 16.910 8.896 1.00 0.00 H new ATOM 0 HD21 LEU S 31 31.028 19.611 7.537 1.00 0.00 H new ATOM 0 HD22 LEU S 31 29.627 19.308 8.592 1.00 0.00 H new ATOM 0 HD23 LEU S 31 30.759 20.628 8.972 1.00 0.00 H new ATOM 482 N VAL S 32 30.407 19.934 13.497 1.00 0.00 N ATOM 483 CA VAL S 32 30.061 19.916 14.940 1.00 0.00 C ATOM 484 C VAL S 32 28.790 20.747 15.150 1.00 0.00 C ATOM 485 O VAL S 32 27.881 20.354 15.862 1.00 0.00 O ATOM 486 CB VAL S 32 31.307 20.519 15.628 1.00 0.00 C ATOM 487 CG1 VAL S 32 30.977 21.823 16.373 1.00 0.00 C ATOM 488 CG2 VAL S 32 31.865 19.504 16.629 1.00 0.00 C ATOM 0 H VAL S 32 31.349 20.258 13.276 1.00 0.00 H new ATOM 0 HA VAL S 32 29.841 18.929 15.348 1.00 0.00 H new ATOM 0 HB VAL S 32 32.040 20.748 14.854 1.00 0.00 H new ATOM 0 HG11 VAL S 32 31.881 22.213 16.842 1.00 0.00 H new ATOM 0 HG12 VAL S 32 30.589 22.557 15.667 1.00 0.00 H new ATOM 0 HG13 VAL S 32 30.227 21.625 17.139 1.00 0.00 H new ATOM 0 HG21 VAL S 32 32.745 19.922 17.119 1.00 0.00 H new ATOM 0 HG22 VAL S 32 31.106 19.277 17.378 1.00 0.00 H new ATOM 0 HG23 VAL S 32 32.142 18.590 16.104 1.00 0.00 H new ATOM 498 N GLN S 33 28.715 21.883 14.516 1.00 0.00 N ATOM 499 CA GLN S 33 27.508 22.740 14.654 1.00 0.00 C ATOM 500 C GLN S 33 26.283 22.073 14.010 1.00 0.00 C ATOM 501 O GLN S 33 25.179 22.200 14.496 1.00 0.00 O ATOM 502 CB GLN S 33 27.856 24.034 13.916 1.00 0.00 C ATOM 503 CG GLN S 33 28.674 24.943 14.836 1.00 0.00 C ATOM 504 CD GLN S 33 27.728 25.811 15.669 1.00 0.00 C ATOM 505 OE1 GLN S 33 26.844 25.303 16.330 1.00 0.00 O ATOM 506 NE2 GLN S 33 27.876 27.107 15.663 1.00 0.00 N ATOM 0 H GLN S 33 29.442 22.256 13.905 1.00 0.00 H new ATOM 0 HA GLN S 33 27.254 22.913 15.700 1.00 0.00 H new ATOM 0 HB2 GLN S 33 28.423 23.809 13.013 1.00 0.00 H new ATOM 0 HB3 GLN S 33 26.944 24.542 13.602 1.00 0.00 H new ATOM 0 HG2 GLN S 33 29.305 24.342 15.491 1.00 0.00 H new ATOM 0 HG3 GLN S 33 29.338 25.574 14.245 1.00 0.00 H new ATOM 0 HE21 GLN S 33 28.618 27.533 15.108 1.00 0.00 H new ATOM 0 HE22 GLN S 33 27.250 27.694 16.213 1.00 0.00 H new ATOM 515 N ARG S 34 26.456 21.379 12.912 1.00 0.00 N ATOM 516 CA ARG S 34 25.274 20.739 12.256 1.00 0.00 C ATOM 517 C ARG S 34 24.739 19.577 13.094 1.00 0.00 C ATOM 518 O ARG S 34 23.546 19.427 13.271 1.00 0.00 O ATOM 519 CB ARG S 34 25.765 20.200 10.905 1.00 0.00 C ATOM 520 CG ARG S 34 24.627 19.386 10.272 1.00 0.00 C ATOM 521 CD ARG S 34 24.611 19.581 8.753 1.00 0.00 C ATOM 522 NE ARG S 34 23.913 20.879 8.538 1.00 0.00 N ATOM 523 CZ ARG S 34 23.129 21.035 7.506 1.00 0.00 C ATOM 524 NH1 ARG S 34 23.531 20.670 6.319 1.00 0.00 N ATOM 525 NH2 ARG S 34 21.943 21.555 7.662 1.00 0.00 N ATOM 0 H ARG S 34 27.351 21.229 12.447 1.00 0.00 H new ATOM 0 HA ARG S 34 24.468 21.464 12.143 1.00 0.00 H new ATOM 0 HB2 ARG S 34 26.055 21.022 10.250 1.00 0.00 H new ATOM 0 HB3 ARG S 34 26.648 19.576 11.043 1.00 0.00 H new ATOM 0 HG2 ARG S 34 24.753 18.329 10.508 1.00 0.00 H new ATOM 0 HG3 ARG S 34 23.671 19.696 10.695 1.00 0.00 H new ATOM 0 HD2 ARG S 34 25.623 19.605 8.348 1.00 0.00 H new ATOM 0 HD3 ARG S 34 24.088 18.764 8.256 1.00 0.00 H new ATOM 0 HE ARG S 34 24.048 21.646 9.197 1.00 0.00 H new ATOM 0 HH11 ARG S 34 24.458 20.263 6.197 1.00 0.00 H new ATOM 0 HH12 ARG S 34 22.918 20.792 5.513 1.00 0.00 H new ATOM 0 HH21 ARG S 34 21.629 21.839 8.590 1.00 0.00 H new ATOM 0 HH22 ARG S 34 21.330 21.677 6.856 1.00 0.00 H new ATOM 539 N LEU S 35 25.604 18.741 13.600 1.00 0.00 N ATOM 540 CA LEU S 35 25.113 17.585 14.406 1.00 0.00 C ATOM 541 C LEU S 35 24.559 18.059 15.746 1.00 0.00 C ATOM 542 O LEU S 35 23.496 17.655 16.172 1.00 0.00 O ATOM 543 CB LEU S 35 26.310 16.672 14.684 1.00 0.00 C ATOM 544 CG LEU S 35 27.195 16.503 13.461 1.00 0.00 C ATOM 545 CD1 LEU S 35 28.432 15.712 13.859 1.00 0.00 C ATOM 546 CD2 LEU S 35 26.442 15.744 12.394 1.00 0.00 C ATOM 0 H LEU S 35 26.616 18.805 13.493 1.00 0.00 H new ATOM 0 HA LEU S 35 24.325 17.069 13.858 1.00 0.00 H new ATOM 0 HB2 LEU S 35 26.899 17.086 15.503 1.00 0.00 H new ATOM 0 HB3 LEU S 35 25.953 15.695 15.010 1.00 0.00 H new ATOM 0 HG LEU S 35 27.483 17.481 13.074 1.00 0.00 H new ATOM 0 HD11 LEU S 35 29.077 15.583 12.990 1.00 0.00 H new ATOM 0 HD12 LEU S 35 28.974 16.251 14.636 1.00 0.00 H new ATOM 0 HD13 LEU S 35 28.133 14.734 14.237 1.00 0.00 H new ATOM 0 HD21 LEU S 35 27.077 15.623 11.517 1.00 0.00 H new ATOM 0 HD22 LEU S 35 26.160 14.763 12.776 1.00 0.00 H new ATOM 0 HD23 LEU S 35 25.545 16.298 12.118 1.00 0.00 H new ATOM 558 N ILE S 36 25.293 18.895 16.428 1.00 0.00 N ATOM 559 CA ILE S 36 24.834 19.372 17.762 1.00 0.00 C ATOM 560 C ILE S 36 23.649 20.329 17.615 1.00 0.00 C ATOM 561 O ILE S 36 22.706 20.277 18.378 1.00 0.00 O ATOM 562 CB ILE S 36 26.058 20.064 18.368 1.00 0.00 C ATOM 563 CG1 ILE S 36 27.258 19.114 18.290 1.00 0.00 C ATOM 564 CG2 ILE S 36 25.790 20.402 19.835 1.00 0.00 C ATOM 565 CD1 ILE S 36 28.491 19.796 18.877 1.00 0.00 C ATOM 0 H ILE S 36 26.191 19.268 16.119 1.00 0.00 H new ATOM 0 HA ILE S 36 24.478 18.563 18.399 1.00 0.00 H new ATOM 0 HB ILE S 36 26.264 20.981 17.816 1.00 0.00 H new ATOM 0 HG12 ILE S 36 27.043 18.196 18.836 1.00 0.00 H new ATOM 0 HG13 ILE S 36 27.445 18.832 17.254 1.00 0.00 H new ATOM 0 HG21 ILE S 36 26.665 20.894 20.261 1.00 0.00 H new ATOM 0 HG22 ILE S 36 24.930 21.068 19.904 1.00 0.00 H new ATOM 0 HG23 ILE S 36 25.585 19.485 20.388 1.00 0.00 H new ATOM 0 HD11 ILE S 36 29.343 19.119 18.820 1.00 0.00 H new ATOM 0 HD12 ILE S 36 28.710 20.702 18.312 1.00 0.00 H new ATOM 0 HD13 ILE S 36 28.302 20.055 19.919 1.00 0.00 H new ATOM 577 N LYS S 37 23.671 21.188 16.634 1.00 0.00 N ATOM 578 CA LYS S 37 22.521 22.117 16.451 1.00 0.00 C ATOM 579 C LYS S 37 21.306 21.324 15.966 1.00 0.00 C ATOM 580 O LYS S 37 20.184 21.584 16.352 1.00 0.00 O ATOM 581 CB LYS S 37 22.969 23.121 15.389 1.00 0.00 C ATOM 582 CG LYS S 37 21.980 24.288 15.340 1.00 0.00 C ATOM 583 CD LYS S 37 20.741 23.878 14.544 1.00 0.00 C ATOM 584 CE LYS S 37 20.188 25.093 13.793 1.00 0.00 C ATOM 585 NZ LYS S 37 19.218 25.718 14.735 1.00 0.00 N ATOM 0 H LYS S 37 24.428 21.287 15.957 1.00 0.00 H new ATOM 0 HA LYS S 37 22.239 22.621 17.375 1.00 0.00 H new ATOM 0 HB2 LYS S 37 23.969 23.488 15.619 1.00 0.00 H new ATOM 0 HB3 LYS S 37 23.024 22.636 14.415 1.00 0.00 H new ATOM 0 HG2 LYS S 37 21.695 24.579 16.351 1.00 0.00 H new ATOM 0 HG3 LYS S 37 22.450 25.157 14.879 1.00 0.00 H new ATOM 0 HD2 LYS S 37 20.995 23.086 13.839 1.00 0.00 H new ATOM 0 HD3 LYS S 37 19.982 23.476 15.215 1.00 0.00 H new ATOM 0 HE2 LYS S 37 20.984 25.788 13.527 1.00 0.00 H new ATOM 0 HE3 LYS S 37 19.701 24.795 12.864 1.00 0.00 H new ATOM 0 HZ1 LYS S 37 18.796 26.559 14.292 1.00 0.00 H new ATOM 0 HZ2 LYS S 37 18.468 25.035 14.965 1.00 0.00 H new ATOM 0 HZ3 LYS S 37 19.712 25.997 15.607 1.00 0.00 H new ATOM 599 N ASP S 38 21.528 20.352 15.120 1.00 0.00 N ATOM 600 CA ASP S 38 20.395 19.533 14.604 1.00 0.00 C ATOM 601 C ASP S 38 19.855 18.609 15.703 1.00 0.00 C ATOM 602 O ASP S 38 18.661 18.483 15.888 1.00 0.00 O ATOM 603 CB ASP S 38 20.992 18.712 13.461 1.00 0.00 C ATOM 604 CG ASP S 38 19.915 17.801 12.870 1.00 0.00 C ATOM 605 OD1 ASP S 38 18.771 18.220 12.828 1.00 0.00 O ATOM 606 OD2 ASP S 38 20.254 16.698 12.470 1.00 0.00 O ATOM 0 H ASP S 38 22.448 20.091 14.764 1.00 0.00 H new ATOM 0 HA ASP S 38 19.559 20.150 14.274 1.00 0.00 H new ATOM 0 HB2 ASP S 38 21.386 19.375 12.690 1.00 0.00 H new ATOM 0 HB3 ASP S 38 21.828 18.115 13.826 1.00 0.00 H new ATOM 611 N ASP S 39 20.724 17.955 16.429 1.00 0.00 N ATOM 612 CA ASP S 39 20.249 17.035 17.505 1.00 0.00 C ATOM 613 C ASP S 39 19.550 17.830 18.615 1.00 0.00 C ATOM 614 O ASP S 39 18.470 17.486 19.053 1.00 0.00 O ATOM 615 CB ASP S 39 21.519 16.331 18.022 1.00 0.00 C ATOM 616 CG ASP S 39 22.058 17.024 19.280 1.00 0.00 C ATOM 617 OD1 ASP S 39 22.652 18.079 19.143 1.00 0.00 O ATOM 618 OD2 ASP S 39 21.865 16.484 20.358 1.00 0.00 O ATOM 0 H ASP S 39 21.737 18.017 16.324 1.00 0.00 H new ATOM 0 HA ASP S 39 19.517 16.312 17.144 1.00 0.00 H new ATOM 0 HB2 ASP S 39 21.296 15.288 18.245 1.00 0.00 H new ATOM 0 HB3 ASP S 39 22.283 16.335 17.245 1.00 0.00 H new