USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 761 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 83 SER OG : rot 180:sc= 0.942 USER MOD Set 1.2: A 88 THR OG1 : rot -80:sc= 0.877 USER MOD Set 2.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0386 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0052 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc=-0.00139 X(o=-0.0014,f=-0.15) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -145:sc= -0.367 (180deg=-1.72!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -177:sc= -2.16! (180deg=-2.24) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.664 USER MOD Single : A 27 SER OG : rot 40:sc= 0.289 USER MOD Single : A 30 CYS SG : rot -164:sc= 0.153 USER MOD Single : A 33 SER OG : rot -92:sc= -0.0111 USER MOD Single : A 34 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.19) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 24:sc= 0.976 USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= -0.341 (180deg=-1.56!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 71:sc= 0.534 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 61 GLN : amide:sc= -2.12 K(o=-2.1,f=-4.5!) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 0.146 (180deg=0.0641) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 130:sc= -0.324 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.935 28.281 8.122 1.00 0.00 N ATOM 2 CA GLY A 1 -12.388 27.990 6.809 1.00 0.00 C ATOM 3 C GLY A 1 -11.451 26.799 6.823 1.00 0.00 C ATOM 4 O GLY A 1 -10.849 26.485 7.850 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.921 27.953 8.168 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.374 27.792 8.848 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.903 29.307 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.205 27.798 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.853 28.865 6.439 1.00 0.00 H new ATOM 8 N SER A 2 -11.327 26.132 5.679 1.00 0.00 N ATOM 9 CA SER A 2 -10.460 24.965 5.565 1.00 0.00 C ATOM 10 C SER A 2 -9.029 25.381 5.238 1.00 0.00 C ATOM 11 O SER A 2 -8.752 26.556 5.001 1.00 0.00 O ATOM 12 CB SER A 2 -10.987 24.017 4.486 1.00 0.00 C ATOM 13 OG SER A 2 -11.219 24.706 3.270 1.00 0.00 O ATOM 0 H SER A 2 -11.816 26.380 4.819 1.00 0.00 H new ATOM 0 HA SER A 2 -10.459 24.448 6.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.269 23.214 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.912 23.552 4.826 1.00 0.00 H new ATOM 0 HG SER A 2 -11.554 24.078 2.597 1.00 0.00 H new ATOM 19 N SER A 3 -8.124 24.407 5.228 1.00 0.00 N ATOM 20 CA SER A 3 -6.721 24.671 4.934 1.00 0.00 C ATOM 21 C SER A 3 -6.515 24.921 3.443 1.00 0.00 C ATOM 22 O SER A 3 -7.120 24.257 2.602 1.00 0.00 O ATOM 23 CB SER A 3 -5.853 23.497 5.391 1.00 0.00 C ATOM 24 OG SER A 3 -6.049 23.223 6.768 1.00 0.00 O ATOM 0 H SER A 3 -8.338 23.428 5.420 1.00 0.00 H new ATOM 0 HA SER A 3 -6.424 25.567 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.095 22.612 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.803 23.724 5.208 1.00 0.00 H new ATOM 0 HG SER A 3 -5.484 22.468 7.035 1.00 0.00 H new ATOM 30 N GLY A 4 -5.656 25.884 3.124 1.00 0.00 N ATOM 31 CA GLY A 4 -5.385 26.205 1.735 1.00 0.00 C ATOM 32 C GLY A 4 -4.007 26.804 1.536 1.00 0.00 C ATOM 33 O GLY A 4 -3.637 27.764 2.212 1.00 0.00 O ATOM 0 H GLY A 4 -5.143 26.447 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.475 25.301 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.138 26.906 1.374 1.00 0.00 H new ATOM 37 N SER A 5 -3.244 26.235 0.608 1.00 0.00 N ATOM 38 CA SER A 5 -1.896 26.716 0.327 1.00 0.00 C ATOM 39 C SER A 5 -1.693 26.915 -1.172 1.00 0.00 C ATOM 40 O SER A 5 -2.375 26.297 -1.990 1.00 0.00 O ATOM 41 CB SER A 5 -0.858 25.731 0.868 1.00 0.00 C ATOM 42 OG SER A 5 -0.845 25.732 2.285 1.00 0.00 O ATOM 0 H SER A 5 -3.536 25.441 0.038 1.00 0.00 H new ATOM 0 HA SER A 5 -1.768 27.677 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.079 24.728 0.504 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.130 25.996 0.492 1.00 0.00 H new ATOM 0 HG SER A 5 -0.175 25.093 2.606 1.00 0.00 H new ATOM 48 N SER A 6 -0.749 27.782 -1.525 1.00 0.00 N ATOM 49 CA SER A 6 -0.457 28.066 -2.925 1.00 0.00 C ATOM 50 C SER A 6 0.494 27.022 -3.504 1.00 0.00 C ATOM 51 O SER A 6 1.064 26.213 -2.775 1.00 0.00 O ATOM 52 CB SER A 6 0.153 29.462 -3.067 1.00 0.00 C ATOM 53 OG SER A 6 0.036 29.936 -4.397 1.00 0.00 O ATOM 0 H SER A 6 -0.174 28.300 -0.861 1.00 0.00 H new ATOM 0 HA SER A 6 -1.394 28.028 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.346 30.152 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.204 29.434 -2.778 1.00 0.00 H new ATOM 0 HG SER A 6 0.431 30.830 -4.462 1.00 0.00 H new ATOM 59 N GLY A 7 0.658 27.049 -4.824 1.00 0.00 N ATOM 60 CA GLY A 7 1.539 26.101 -5.480 1.00 0.00 C ATOM 61 C GLY A 7 0.812 24.848 -5.928 1.00 0.00 C ATOM 62 O GLY A 7 -0.236 24.501 -5.384 1.00 0.00 O ATOM 0 H GLY A 7 0.197 27.710 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.002 26.578 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.344 25.826 -4.799 1.00 0.00 H new ATOM 66 N HIS A 8 1.369 24.167 -6.925 1.00 0.00 N ATOM 67 CA HIS A 8 0.766 22.946 -7.447 1.00 0.00 C ATOM 68 C HIS A 8 1.554 21.718 -7.001 1.00 0.00 C ATOM 69 O HIS A 8 2.573 21.370 -7.598 1.00 0.00 O ATOM 70 CB HIS A 8 0.700 22.997 -8.974 1.00 0.00 C ATOM 71 CG HIS A 8 0.358 21.681 -9.603 1.00 0.00 C ATOM 72 ND1 HIS A 8 -0.678 20.884 -9.163 1.00 0.00 N ATOM 73 CD2 HIS A 8 0.919 21.026 -10.645 1.00 0.00 C ATOM 74 CE1 HIS A 8 -0.737 19.794 -9.907 1.00 0.00 C ATOM 75 NE2 HIS A 8 0.221 19.855 -10.814 1.00 0.00 N ATOM 0 H HIS A 8 2.236 24.440 -7.387 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.246 22.871 -7.049 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.042 23.737 -9.273 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.661 23.336 -9.360 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.759 21.361 -11.235 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.448 18.989 -9.793 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.412 19.148 -11.524 1.00 0.00 H new ATOM 84 N VAL A 9 1.075 21.064 -5.947 1.00 0.00 N ATOM 85 CA VAL A 9 1.734 19.875 -5.421 1.00 0.00 C ATOM 86 C VAL A 9 0.820 18.657 -5.505 1.00 0.00 C ATOM 87 O VAL A 9 -0.166 18.556 -4.776 1.00 0.00 O ATOM 88 CB VAL A 9 2.169 20.075 -3.957 1.00 0.00 C ATOM 89 CG1 VAL A 9 2.809 18.808 -3.412 1.00 0.00 C ATOM 90 CG2 VAL A 9 3.122 21.255 -3.842 1.00 0.00 C ATOM 0 H VAL A 9 0.233 21.338 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 9 2.618 19.706 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 9 1.284 20.292 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.110 18.969 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.091 17.989 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.685 18.557 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.419 21.382 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.006 21.069 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.624 22.160 -4.190 1.00 0.00 H new ATOM 100 N GLY A 10 1.154 17.734 -6.401 1.00 0.00 N ATOM 101 CA GLY A 10 0.354 16.534 -6.565 1.00 0.00 C ATOM 102 C GLY A 10 1.182 15.268 -6.479 1.00 0.00 C ATOM 103 O GLY A 10 2.383 15.321 -6.208 1.00 0.00 O ATOM 0 H GLY A 10 1.965 17.796 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.421 16.510 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.153 16.568 -7.529 1.00 0.00 H new ATOM 107 N ILE A 11 0.542 14.127 -6.709 1.00 0.00 N ATOM 108 CA ILE A 11 1.228 12.842 -6.656 1.00 0.00 C ATOM 109 C ILE A 11 1.832 12.485 -8.010 1.00 0.00 C ATOM 110 O ILE A 11 1.113 12.284 -8.990 1.00 0.00 O ATOM 111 CB ILE A 11 0.276 11.713 -6.217 1.00 0.00 C ATOM 112 CG1 ILE A 11 -0.419 12.084 -4.906 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.039 10.405 -6.068 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.643 11.244 -4.613 1.00 0.00 C ATOM 0 H ILE A 11 -0.451 14.066 -6.934 1.00 0.00 H new ATOM 0 HA ILE A 11 2.026 12.940 -5.920 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.486 11.580 -6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.290 11.977 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.709 13.134 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.353 9.617 -5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.491 10.137 -7.023 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.820 10.523 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.085 11.562 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.371 11.369 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.356 10.195 -4.544 1.00 0.00 H new ATOM 126 N THR A 12 3.158 12.405 -8.058 1.00 0.00 N ATOM 127 CA THR A 12 3.859 12.072 -9.291 1.00 0.00 C ATOM 128 C THR A 12 4.068 10.567 -9.415 1.00 0.00 C ATOM 129 O THR A 12 4.224 10.039 -10.516 1.00 0.00 O ATOM 130 CB THR A 12 5.227 12.776 -9.367 1.00 0.00 C ATOM 131 OG1 THR A 12 5.865 12.474 -10.613 1.00 0.00 O ATOM 132 CG2 THR A 12 6.123 12.344 -8.216 1.00 0.00 C ATOM 0 H THR A 12 3.768 12.566 -7.257 1.00 0.00 H new ATOM 0 HA THR A 12 3.234 12.419 -10.114 1.00 0.00 H new ATOM 0 HB THR A 12 5.062 13.851 -9.295 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.733 12.927 -10.654 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.083 12.854 -8.291 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.648 12.601 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.280 11.266 -8.262 1.00 0.00 H new ATOM 140 N LYS A 13 4.069 9.878 -8.278 1.00 0.00 N ATOM 141 CA LYS A 13 4.256 8.433 -8.259 1.00 0.00 C ATOM 142 C LYS A 13 2.989 7.726 -7.786 1.00 0.00 C ATOM 143 O LYS A 13 2.901 7.292 -6.638 1.00 0.00 O ATOM 144 CB LYS A 13 5.429 8.062 -7.348 1.00 0.00 C ATOM 145 CG LYS A 13 5.777 6.584 -7.377 1.00 0.00 C ATOM 146 CD LYS A 13 6.678 6.246 -8.554 1.00 0.00 C ATOM 147 CE LYS A 13 8.140 6.511 -8.230 1.00 0.00 C ATOM 148 NZ LYS A 13 8.538 7.907 -8.564 1.00 0.00 N ATOM 0 H LYS A 13 3.942 10.298 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 13 4.475 8.107 -9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.305 8.639 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.189 8.350 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.273 6.308 -6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.862 5.995 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.548 5.198 -8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.383 6.837 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.316 6.327 -7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.767 5.812 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.521 7.916 -8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.912 8.278 -9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.459 8.503 -7.715 1.00 0.00 H new ATOM 162 N ARG A 14 2.011 7.614 -8.680 1.00 0.00 N ATOM 163 CA ARG A 14 0.750 6.960 -8.354 1.00 0.00 C ATOM 164 C ARG A 14 0.981 5.510 -7.939 1.00 0.00 C ATOM 165 O ARG A 14 1.935 4.870 -8.383 1.00 0.00 O ATOM 166 CB ARG A 14 -0.201 7.014 -9.551 1.00 0.00 C ATOM 167 CG ARG A 14 0.372 6.392 -10.813 1.00 0.00 C ATOM 168 CD ARG A 14 -0.446 6.765 -12.039 1.00 0.00 C ATOM 169 NE ARG A 14 -0.004 8.026 -12.630 1.00 0.00 N ATOM 170 CZ ARG A 14 -0.714 8.709 -13.521 1.00 0.00 C ATOM 171 NH1 ARG A 14 -1.893 8.255 -13.923 1.00 0.00 N ATOM 172 NH2 ARG A 14 -0.244 9.848 -14.012 1.00 0.00 N ATOM 0 H ARG A 14 2.068 7.968 -9.635 1.00 0.00 H new ATOM 0 HA ARG A 14 0.299 7.492 -7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.127 6.501 -9.292 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.458 8.054 -9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.402 6.722 -10.947 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.396 5.307 -10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.369 5.970 -12.781 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.498 6.843 -11.763 1.00 0.00 H new ATOM 0 HE ARG A 14 0.899 8.403 -12.343 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.257 7.379 -13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.436 8.782 -14.607 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.663 10.200 -13.705 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.790 10.372 -14.696 1.00 0.00 H new ATOM 186 N LEU A 15 0.101 4.997 -7.085 1.00 0.00 N ATOM 187 CA LEU A 15 0.209 3.623 -6.609 1.00 0.00 C ATOM 188 C LEU A 15 0.187 2.639 -7.775 1.00 0.00 C ATOM 189 O LEU A 15 -0.600 2.786 -8.711 1.00 0.00 O ATOM 190 CB LEU A 15 -0.931 3.307 -5.640 1.00 0.00 C ATOM 191 CG LEU A 15 -0.853 3.981 -4.269 1.00 0.00 C ATOM 192 CD1 LEU A 15 -2.224 4.013 -3.611 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.151 3.263 -3.379 1.00 0.00 C ATOM 0 H LEU A 15 -0.695 5.512 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 15 1.161 3.519 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.871 3.594 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.966 2.228 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.516 5.008 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.149 4.496 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.917 4.572 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.590 2.994 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.194 3.756 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.157 2.226 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.136 3.293 -3.844 1.00 0.00 H new ATOM 205 N LYS A 16 1.054 1.635 -7.713 1.00 0.00 N ATOM 206 CA LYS A 16 1.133 0.625 -8.761 1.00 0.00 C ATOM 207 C LYS A 16 0.444 -0.665 -8.326 1.00 0.00 C ATOM 208 O LYS A 16 0.542 -1.074 -7.169 1.00 0.00 O ATOM 209 CB LYS A 16 2.595 0.340 -9.114 1.00 0.00 C ATOM 210 CG LYS A 16 2.763 -0.603 -10.293 1.00 0.00 C ATOM 211 CD LYS A 16 4.109 -0.411 -10.973 1.00 0.00 C ATOM 212 CE LYS A 16 4.038 -0.749 -12.454 1.00 0.00 C ATOM 213 NZ LYS A 16 5.257 -0.301 -13.184 1.00 0.00 N ATOM 0 H LYS A 16 1.713 1.499 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 16 0.621 1.011 -9.642 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.096 1.282 -9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.094 -0.087 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.671 -1.634 -9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.963 -0.433 -11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.436 0.621 -10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.855 -1.042 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.917 -1.825 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.158 -0.278 -12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.170 -0.550 -14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.359 0.730 -13.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.094 -0.770 -12.783 1.00 0.00 H new ATOM 227 N THR A 17 -0.253 -1.302 -9.262 1.00 0.00 N ATOM 228 CA THR A 17 -0.958 -2.545 -8.976 1.00 0.00 C ATOM 229 C THR A 17 0.001 -3.619 -8.475 1.00 0.00 C ATOM 230 O THR A 17 0.899 -4.048 -9.199 1.00 0.00 O ATOM 231 CB THR A 17 -1.696 -3.072 -10.221 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.692 -2.130 -10.636 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.349 -4.416 -9.935 1.00 0.00 C ATOM 0 H THR A 17 -0.344 -0.977 -10.225 1.00 0.00 H new ATOM 0 HA THR A 17 -1.688 -2.322 -8.198 1.00 0.00 H new ATOM 0 HB THR A 17 -0.966 -3.204 -11.020 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.155 -2.472 -11.429 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.864 -4.768 -10.829 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.585 -5.138 -9.649 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.067 -4.306 -9.122 1.00 0.00 H new ATOM 241 N MET A 18 -0.196 -4.049 -7.233 1.00 0.00 N ATOM 242 CA MET A 18 0.652 -5.075 -6.637 1.00 0.00 C ATOM 243 C MET A 18 0.075 -6.466 -6.881 1.00 0.00 C ATOM 244 O MET A 18 -1.126 -6.685 -6.727 1.00 0.00 O ATOM 245 CB MET A 18 0.805 -4.830 -5.134 1.00 0.00 C ATOM 246 CG MET A 18 1.738 -3.679 -4.798 1.00 0.00 C ATOM 247 SD MET A 18 3.382 -3.888 -5.508 1.00 0.00 S ATOM 248 CE MET A 18 3.932 -5.367 -4.661 1.00 0.00 C ATOM 0 H MET A 18 -0.935 -3.703 -6.620 1.00 0.00 H new ATOM 0 HA MET A 18 1.633 -5.020 -7.109 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.177 -4.628 -4.705 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.178 -5.739 -4.662 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.305 -2.747 -5.162 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.823 -3.589 -3.715 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.957 -5.595 -4.955 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.891 -5.206 -3.584 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.284 -6.202 -4.928 1.00 0.00 H new ATOM 258 N GLU A 19 0.939 -7.401 -7.263 1.00 0.00 N ATOM 259 CA GLU A 19 0.514 -8.770 -7.530 1.00 0.00 C ATOM 260 C GLU A 19 1.384 -9.768 -6.770 1.00 0.00 C ATOM 261 O GLU A 19 2.584 -9.878 -7.020 1.00 0.00 O ATOM 262 CB GLU A 19 0.575 -9.063 -9.030 1.00 0.00 C ATOM 263 CG GLU A 19 -0.317 -10.215 -9.462 1.00 0.00 C ATOM 264 CD GLU A 19 0.363 -11.563 -9.323 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.284 -11.681 -8.488 1.00 0.00 O ATOM 266 OE2 GLU A 19 -0.026 -12.501 -10.050 1.00 0.00 O ATOM 0 H GLU A 19 1.937 -7.236 -7.394 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.515 -8.877 -7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.287 -8.166 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.605 -9.289 -9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.228 -10.208 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.616 -10.068 -10.500 1.00 0.00 H new ATOM 273 N VAL A 20 0.768 -10.492 -5.840 1.00 0.00 N ATOM 274 CA VAL A 20 1.485 -11.481 -5.044 1.00 0.00 C ATOM 275 C VAL A 20 0.646 -12.738 -4.844 1.00 0.00 C ATOM 276 O VAL A 20 -0.555 -12.747 -5.120 1.00 0.00 O ATOM 277 CB VAL A 20 1.876 -10.914 -3.666 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.715 -9.656 -3.824 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.635 -10.636 -2.832 1.00 0.00 C ATOM 0 H VAL A 20 -0.225 -10.412 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 20 2.390 -11.736 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 20 2.477 -11.659 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.981 -9.270 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.623 -9.892 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.143 -8.903 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.931 -10.236 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.005 -9.910 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.078 -11.562 -2.688 1.00 0.00 H new ATOM 289 N LEU A 21 1.285 -13.799 -4.363 1.00 0.00 N ATOM 290 CA LEU A 21 0.597 -15.063 -4.126 1.00 0.00 C ATOM 291 C LEU A 21 0.062 -15.132 -2.699 1.00 0.00 C ATOM 292 O LEU A 21 0.727 -14.707 -1.756 1.00 0.00 O ATOM 293 CB LEU A 21 1.543 -16.237 -4.385 1.00 0.00 C ATOM 294 CG LEU A 21 0.962 -17.632 -4.154 1.00 0.00 C ATOM 295 CD1 LEU A 21 0.216 -18.111 -5.390 1.00 0.00 C ATOM 296 CD2 LEU A 21 2.062 -18.614 -3.778 1.00 0.00 C ATOM 0 H LEU A 21 2.278 -13.809 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.246 -15.125 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.891 -16.177 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.418 -16.120 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 21 0.255 -17.577 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.191 -19.106 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.598 -17.422 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.901 -18.149 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.629 -19.601 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.795 -18.666 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.551 -18.279 -2.863 1.00 0.00 H new ATOM 308 N GLU A 22 -1.143 -15.673 -2.551 1.00 0.00 N ATOM 309 CA GLU A 22 -1.767 -15.799 -1.238 1.00 0.00 C ATOM 310 C GLU A 22 -0.749 -16.245 -0.193 1.00 0.00 C ATOM 311 O GLU A 22 -0.113 -17.288 -0.335 1.00 0.00 O ATOM 312 CB GLU A 22 -2.927 -16.795 -1.294 1.00 0.00 C ATOM 313 CG GLU A 22 -3.543 -17.088 0.064 1.00 0.00 C ATOM 314 CD GLU A 22 -4.422 -18.324 0.052 1.00 0.00 C ATOM 315 OE1 GLU A 22 -5.256 -18.448 -0.869 1.00 0.00 O ATOM 316 OE2 GLU A 22 -4.275 -19.165 0.962 1.00 0.00 O ATOM 0 H GLU A 22 -1.706 -16.031 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.152 -14.820 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.699 -16.404 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.573 -17.728 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.748 -17.219 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.134 -16.230 0.383 1.00 0.00 H new ATOM 323 N GLY A 23 -0.600 -15.444 0.859 1.00 0.00 N ATOM 324 CA GLY A 23 0.343 -15.772 1.913 1.00 0.00 C ATOM 325 C GLY A 23 1.557 -14.865 1.907 1.00 0.00 C ATOM 326 O GLY A 23 1.997 -14.399 2.957 1.00 0.00 O ATOM 0 H GLY A 23 -1.115 -14.575 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.157 -15.699 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.666 -16.807 1.799 1.00 0.00 H new ATOM 330 N GLU A 24 2.102 -14.616 0.720 1.00 0.00 N ATOM 331 CA GLU A 24 3.275 -13.761 0.583 1.00 0.00 C ATOM 332 C GLU A 24 2.983 -12.351 1.089 1.00 0.00 C ATOM 333 O GLU A 24 1.857 -12.040 1.476 1.00 0.00 O ATOM 334 CB GLU A 24 3.727 -13.706 -0.878 1.00 0.00 C ATOM 335 CG GLU A 24 4.258 -15.031 -1.401 1.00 0.00 C ATOM 336 CD GLU A 24 5.527 -15.469 -0.696 1.00 0.00 C ATOM 337 OE1 GLU A 24 6.608 -14.951 -1.045 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.439 -16.331 0.203 1.00 0.00 O ATOM 0 H GLU A 24 1.750 -14.994 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 24 4.075 -14.188 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.888 -13.390 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.503 -12.947 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.494 -15.799 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.452 -14.944 -2.470 1.00 0.00 H new ATOM 345 N SER A 25 4.007 -11.503 1.085 1.00 0.00 N ATOM 346 CA SER A 25 3.863 -10.128 1.547 1.00 0.00 C ATOM 347 C SER A 25 4.234 -9.142 0.444 1.00 0.00 C ATOM 348 O SER A 25 5.178 -9.368 -0.314 1.00 0.00 O ATOM 349 CB SER A 25 4.739 -9.887 2.778 1.00 0.00 C ATOM 350 OG SER A 25 6.110 -9.832 2.425 1.00 0.00 O ATOM 0 H SER A 25 4.945 -11.745 0.767 1.00 0.00 H new ATOM 0 HA SER A 25 2.819 -9.969 1.816 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.446 -8.954 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.579 -10.684 3.504 1.00 0.00 H new ATOM 0 HG SER A 25 6.649 -9.675 3.229 1.00 0.00 H new ATOM 356 N CYS A 26 3.484 -8.048 0.360 1.00 0.00 N ATOM 357 CA CYS A 26 3.733 -7.027 -0.651 1.00 0.00 C ATOM 358 C CYS A 26 4.033 -5.680 0.000 1.00 0.00 C ATOM 359 O CYS A 26 3.917 -5.527 1.216 1.00 0.00 O ATOM 360 CB CYS A 26 2.527 -6.899 -1.583 1.00 0.00 C ATOM 361 SG CYS A 26 1.081 -6.129 -0.819 1.00 0.00 S ATOM 0 H CYS A 26 2.699 -7.846 0.979 1.00 0.00 H new ATOM 0 HA CYS A 26 4.603 -7.331 -1.233 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.817 -6.315 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.251 -7.891 -1.940 1.00 0.00 H new ATOM 0 HG CYS A 26 0.115 -6.064 -1.687 1.00 0.00 H new ATOM 367 N SER A 27 4.420 -4.707 -0.819 1.00 0.00 N ATOM 368 CA SER A 27 4.743 -3.374 -0.322 1.00 0.00 C ATOM 369 C SER A 27 4.326 -2.305 -1.328 1.00 0.00 C ATOM 370 O SER A 27 4.840 -2.253 -2.446 1.00 0.00 O ATOM 371 CB SER A 27 6.241 -3.263 -0.034 1.00 0.00 C ATOM 372 OG SER A 27 7.007 -3.614 -1.173 1.00 0.00 O ATOM 0 H SER A 27 4.517 -4.816 -1.828 1.00 0.00 H new ATOM 0 HA SER A 27 4.190 -3.214 0.604 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.481 -2.244 0.270 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.503 -3.915 0.799 1.00 0.00 H new ATOM 0 HG SER A 27 6.583 -3.248 -1.978 1.00 0.00 H new ATOM 378 N PHE A 28 3.391 -1.452 -0.921 1.00 0.00 N ATOM 379 CA PHE A 28 2.904 -0.383 -1.786 1.00 0.00 C ATOM 380 C PHE A 28 3.716 0.893 -1.584 1.00 0.00 C ATOM 381 O PHE A 28 3.716 1.475 -0.499 1.00 0.00 O ATOM 382 CB PHE A 28 1.424 -0.110 -1.509 1.00 0.00 C ATOM 383 CG PHE A 28 0.496 -1.049 -2.225 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.185 -0.852 -3.560 1.00 0.00 C ATOM 385 CD2 PHE A 28 -0.065 -2.128 -1.562 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.668 -1.714 -4.223 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.919 -2.994 -2.219 1.00 0.00 C ATOM 388 CZ PHE A 28 -1.221 -2.786 -3.550 1.00 0.00 C ATOM 0 H PHE A 28 2.956 -1.480 0.001 1.00 0.00 H new ATOM 0 HA PHE A 28 3.020 -0.705 -2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.244 -0.182 -0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.190 0.913 -1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.614 -0.014 -4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.167 -2.295 -0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.902 -1.550 -5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.350 -3.832 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.889 -3.461 -4.065 1.00 0.00 H new ATOM 398 N GLU A 29 4.406 1.321 -2.636 1.00 0.00 N ATOM 399 CA GLU A 29 5.223 2.527 -2.573 1.00 0.00 C ATOM 400 C GLU A 29 4.468 3.726 -3.140 1.00 0.00 C ATOM 401 O GLU A 29 3.842 3.636 -4.197 1.00 0.00 O ATOM 402 CB GLU A 29 6.531 2.325 -3.342 1.00 0.00 C ATOM 403 CG GLU A 29 7.554 1.489 -2.592 1.00 0.00 C ATOM 404 CD GLU A 29 8.916 1.497 -3.260 1.00 0.00 C ATOM 405 OE1 GLU A 29 9.002 1.083 -4.435 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.895 1.917 -2.608 1.00 0.00 O ATOM 0 H GLU A 29 4.416 0.851 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 29 5.452 2.725 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.312 1.846 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.965 3.299 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.650 1.867 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.195 0.462 -2.519 1.00 0.00 H new ATOM 413 N CYS A 30 4.530 4.846 -2.429 1.00 0.00 N ATOM 414 CA CYS A 30 3.851 6.063 -2.859 1.00 0.00 C ATOM 415 C CYS A 30 4.736 7.286 -2.640 1.00 0.00 C ATOM 416 O CYS A 30 5.064 7.634 -1.505 1.00 0.00 O ATOM 417 CB CYS A 30 2.533 6.231 -2.102 1.00 0.00 C ATOM 418 SG CYS A 30 1.348 7.326 -2.919 1.00 0.00 S ATOM 0 H CYS A 30 5.043 4.937 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 30 3.641 5.975 -3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.075 5.251 -1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.745 6.621 -1.106 1.00 0.00 H new ATOM 0 HG CYS A 30 0.427 7.678 -2.072 1.00 0.00 H new ATOM 424 N VAL A 31 5.123 7.934 -3.735 1.00 0.00 N ATOM 425 CA VAL A 31 5.971 9.118 -3.663 1.00 0.00 C ATOM 426 C VAL A 31 5.211 10.366 -4.099 1.00 0.00 C ATOM 427 O VAL A 31 4.342 10.304 -4.969 1.00 0.00 O ATOM 428 CB VAL A 31 7.227 8.962 -4.540 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.177 10.131 -4.325 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.920 7.640 -4.248 1.00 0.00 C ATOM 0 H VAL A 31 4.863 7.659 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 31 6.275 9.227 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 31 6.921 8.962 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.059 10.003 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.675 11.061 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.479 10.167 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.805 7.547 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.215 7.608 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.237 6.817 -4.459 1.00 0.00 H new ATOM 440 N LEU A 32 5.544 11.498 -3.489 1.00 0.00 N ATOM 441 CA LEU A 32 4.894 12.762 -3.814 1.00 0.00 C ATOM 442 C LEU A 32 5.775 13.610 -4.726 1.00 0.00 C ATOM 443 O LEU A 32 6.926 13.261 -4.993 1.00 0.00 O ATOM 444 CB LEU A 32 4.571 13.537 -2.535 1.00 0.00 C ATOM 445 CG LEU A 32 3.410 12.998 -1.699 1.00 0.00 C ATOM 446 CD1 LEU A 32 3.579 13.384 -0.238 1.00 0.00 C ATOM 447 CD2 LEU A 32 2.082 13.511 -2.238 1.00 0.00 C ATOM 0 H LEU A 32 6.261 11.566 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 32 3.966 12.539 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.464 13.556 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.349 14.569 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 32 3.412 11.910 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.743 12.992 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.512 12.968 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.604 14.470 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.267 13.117 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.070 14.600 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.957 13.183 -3.270 1.00 0.00 H new ATOM 459 N SER A 33 5.229 14.725 -5.200 1.00 0.00 N ATOM 460 CA SER A 33 5.965 15.621 -6.084 1.00 0.00 C ATOM 461 C SER A 33 6.895 16.528 -5.285 1.00 0.00 C ATOM 462 O SER A 33 8.073 16.674 -5.614 1.00 0.00 O ATOM 463 CB SER A 33 4.995 16.468 -6.910 1.00 0.00 C ATOM 464 OG SER A 33 4.335 17.424 -6.099 1.00 0.00 O ATOM 0 H SER A 33 4.279 15.030 -4.987 1.00 0.00 H new ATOM 0 HA SER A 33 6.568 15.012 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.538 16.976 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.259 15.822 -7.388 1.00 0.00 H new ATOM 0 HG SER A 33 3.489 17.050 -5.776 1.00 0.00 H new ATOM 470 N HIS A 34 6.358 17.136 -4.231 1.00 0.00 N ATOM 471 CA HIS A 34 7.140 18.029 -3.383 1.00 0.00 C ATOM 472 C HIS A 34 7.734 17.272 -2.199 1.00 0.00 C ATOM 473 O HIS A 34 7.202 16.246 -1.777 1.00 0.00 O ATOM 474 CB HIS A 34 6.269 19.182 -2.882 1.00 0.00 C ATOM 475 CG HIS A 34 7.026 20.204 -2.090 1.00 0.00 C ATOM 476 ND1 HIS A 34 7.729 21.237 -2.673 1.00 0.00 N ATOM 477 CD2 HIS A 34 7.186 20.348 -0.754 1.00 0.00 C ATOM 478 CE1 HIS A 34 8.290 21.971 -1.729 1.00 0.00 C ATOM 479 NE2 HIS A 34 7.975 21.454 -0.556 1.00 0.00 N ATOM 0 H HIS A 34 5.385 17.026 -3.944 1.00 0.00 H new ATOM 0 HA HIS A 34 7.958 18.434 -3.979 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.800 19.670 -3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.466 18.778 -2.266 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.771 19.712 0.013 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.903 22.846 -1.890 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.270 21.817 0.350 1.00 0.00 H new ATOM 488 N GLU A 35 8.840 17.786 -1.670 1.00 0.00 N ATOM 489 CA GLU A 35 9.507 17.156 -0.536 1.00 0.00 C ATOM 490 C GLU A 35 8.592 17.128 0.686 1.00 0.00 C ATOM 491 O GLU A 35 8.205 18.173 1.208 1.00 0.00 O ATOM 492 CB GLU A 35 10.802 17.899 -0.201 1.00 0.00 C ATOM 493 CG GLU A 35 11.855 17.021 0.455 1.00 0.00 C ATOM 494 CD GLU A 35 11.335 16.310 1.689 1.00 0.00 C ATOM 495 OE1 GLU A 35 10.811 15.184 1.548 1.00 0.00 O ATOM 496 OE2 GLU A 35 11.451 16.877 2.795 1.00 0.00 O ATOM 0 H GLU A 35 9.293 18.635 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 35 9.747 16.129 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.214 18.324 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.572 18.733 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.206 16.282 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.714 17.633 0.728 1.00 0.00 H new ATOM 503 N SER A 36 8.251 15.925 1.135 1.00 0.00 N ATOM 504 CA SER A 36 7.379 15.760 2.292 1.00 0.00 C ATOM 505 C SER A 36 8.194 15.482 3.551 1.00 0.00 C ATOM 506 O SER A 36 8.619 14.352 3.792 1.00 0.00 O ATOM 507 CB SER A 36 6.387 14.620 2.051 1.00 0.00 C ATOM 508 OG SER A 36 5.251 14.747 2.888 1.00 0.00 O ATOM 0 H SER A 36 8.565 15.050 0.715 1.00 0.00 H new ATOM 0 HA SER A 36 6.827 16.689 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.075 14.620 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.875 13.663 2.238 1.00 0.00 H new ATOM 0 HG SER A 36 4.632 14.008 2.714 1.00 0.00 H new ATOM 514 N ALA A 37 8.409 16.521 4.351 1.00 0.00 N ATOM 515 CA ALA A 37 9.171 16.390 5.586 1.00 0.00 C ATOM 516 C ALA A 37 8.248 16.354 6.800 1.00 0.00 C ATOM 517 O ALA A 37 8.290 15.417 7.597 1.00 0.00 O ATOM 518 CB ALA A 37 10.169 17.531 5.714 1.00 0.00 C ATOM 0 H ALA A 37 8.066 17.463 4.165 1.00 0.00 H new ATOM 0 HA ALA A 37 9.716 15.447 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.731 17.420 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.856 17.510 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.636 18.482 5.724 1.00 0.00 H new ATOM 524 N SER A 38 7.415 17.381 6.934 1.00 0.00 N ATOM 525 CA SER A 38 6.484 17.469 8.053 1.00 0.00 C ATOM 526 C SER A 38 5.040 17.483 7.560 1.00 0.00 C ATOM 527 O SER A 38 4.476 18.542 7.285 1.00 0.00 O ATOM 528 CB SER A 38 6.764 18.726 8.879 1.00 0.00 C ATOM 529 OG SER A 38 5.755 18.933 9.852 1.00 0.00 O ATOM 0 H SER A 38 7.366 18.164 6.282 1.00 0.00 H new ATOM 0 HA SER A 38 6.627 16.590 8.681 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.733 18.634 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.821 19.592 8.220 1.00 0.00 H new ATOM 0 HG SER A 38 5.958 19.741 10.367 1.00 0.00 H new ATOM 535 N ASP A 39 4.449 16.299 7.449 1.00 0.00 N ATOM 536 CA ASP A 39 3.070 16.172 6.990 1.00 0.00 C ATOM 537 C ASP A 39 2.474 14.836 7.422 1.00 0.00 C ATOM 538 O ASP A 39 3.119 13.790 7.354 1.00 0.00 O ATOM 539 CB ASP A 39 3.003 16.307 5.468 1.00 0.00 C ATOM 540 CG ASP A 39 3.654 17.583 4.970 1.00 0.00 C ATOM 541 OD1 ASP A 39 4.901 17.638 4.938 1.00 0.00 O ATOM 542 OD2 ASP A 39 2.917 18.526 4.614 1.00 0.00 O ATOM 0 H ASP A 39 4.903 15.413 7.670 1.00 0.00 H new ATOM 0 HA ASP A 39 2.486 16.973 7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.494 15.449 5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.961 16.286 5.150 1.00 0.00 H new ATOM 547 N PRO A 40 1.213 14.871 7.877 1.00 0.00 N ATOM 548 CA PRO A 40 0.502 13.671 8.330 1.00 0.00 C ATOM 549 C PRO A 40 0.164 12.729 7.179 1.00 0.00 C ATOM 550 O PRO A 40 0.243 13.108 6.011 1.00 0.00 O ATOM 551 CB PRO A 40 -0.778 14.232 8.955 1.00 0.00 C ATOM 552 CG PRO A 40 -0.989 15.541 8.276 1.00 0.00 C ATOM 553 CD PRO A 40 0.384 16.083 7.986 1.00 0.00 C ATOM 0 HA PRO A 40 1.103 13.076 9.018 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.623 13.562 8.795 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.670 14.358 10.032 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.561 15.416 7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.552 16.224 8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.400 16.665 7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.734 16.739 8.783 1.00 0.00 H new ATOM 561 N ALA A 41 -0.212 11.500 7.518 1.00 0.00 N ATOM 562 CA ALA A 41 -0.564 10.505 6.513 1.00 0.00 C ATOM 563 C ALA A 41 -1.523 9.465 7.082 1.00 0.00 C ATOM 564 O ALA A 41 -1.442 9.111 8.258 1.00 0.00 O ATOM 565 CB ALA A 41 0.690 9.831 5.975 1.00 0.00 C ATOM 0 H ALA A 41 -0.281 11.170 8.481 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.069 11.016 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.412 9.090 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.340 10.580 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.218 9.340 6.792 1.00 0.00 H new ATOM 571 N MET A 42 -2.430 8.980 6.241 1.00 0.00 N ATOM 572 CA MET A 42 -3.405 7.980 6.662 1.00 0.00 C ATOM 573 C MET A 42 -3.604 6.925 5.577 1.00 0.00 C ATOM 574 O MET A 42 -4.090 7.227 4.487 1.00 0.00 O ATOM 575 CB MET A 42 -4.741 8.646 6.994 1.00 0.00 C ATOM 576 CG MET A 42 -5.637 7.801 7.884 1.00 0.00 C ATOM 577 SD MET A 42 -6.989 8.748 8.609 1.00 0.00 S ATOM 578 CE MET A 42 -8.221 7.467 8.830 1.00 0.00 C ATOM 0 H MET A 42 -2.511 9.263 5.264 1.00 0.00 H new ATOM 0 HA MET A 42 -3.021 7.489 7.556 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.550 9.600 7.486 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.268 8.866 6.066 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.048 6.977 7.301 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.039 7.360 8.682 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.119 7.899 9.271 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.467 7.028 7.863 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.828 6.694 9.490 1.00 0.00 H new ATOM 588 N TRP A 43 -3.227 5.690 5.884 1.00 0.00 N ATOM 589 CA TRP A 43 -3.364 4.591 4.934 1.00 0.00 C ATOM 590 C TRP A 43 -4.687 3.860 5.136 1.00 0.00 C ATOM 591 O TRP A 43 -5.144 3.681 6.265 1.00 0.00 O ATOM 592 CB TRP A 43 -2.199 3.612 5.083 1.00 0.00 C ATOM 593 CG TRP A 43 -0.949 4.067 4.393 1.00 0.00 C ATOM 594 CD1 TRP A 43 -0.036 4.968 4.860 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.477 3.643 3.109 1.00 0.00 C ATOM 596 NE1 TRP A 43 0.976 5.131 3.945 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.729 4.328 2.862 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.953 2.751 2.145 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.461 4.148 1.692 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.226 2.573 0.984 1.00 0.00 C ATOM 601 CH2 TRP A 43 0.971 3.268 0.765 1.00 0.00 C ATOM 0 H TRP A 43 -2.824 5.424 6.782 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.351 5.010 3.928 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.988 3.468 6.143 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.495 2.643 4.682 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.100 5.478 5.810 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.780 5.749 4.054 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.874 2.210 2.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.383 4.684 1.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.586 1.886 0.232 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.517 3.106 -0.153 1.00 0.00 H new ATOM 612 N THR A 44 -5.299 3.438 4.034 1.00 0.00 N ATOM 613 CA THR A 44 -6.571 2.727 4.090 1.00 0.00 C ATOM 614 C THR A 44 -6.609 1.589 3.076 1.00 0.00 C ATOM 615 O THR A 44 -6.558 1.818 1.868 1.00 0.00 O ATOM 616 CB THR A 44 -7.756 3.675 3.826 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.543 4.399 2.609 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.935 4.651 4.978 1.00 0.00 C ATOM 0 H THR A 44 -4.934 3.576 3.091 1.00 0.00 H new ATOM 0 HA THR A 44 -6.661 2.317 5.096 1.00 0.00 H new ATOM 0 HB THR A 44 -8.661 3.074 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.929 3.897 2.033 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.778 5.310 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.127 4.098 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.029 5.246 5.095 1.00 0.00 H new ATOM 626 N VAL A 45 -6.701 0.361 3.576 1.00 0.00 N ATOM 627 CA VAL A 45 -6.748 -0.814 2.714 1.00 0.00 C ATOM 628 C VAL A 45 -7.919 -1.718 3.081 1.00 0.00 C ATOM 629 O VAL A 45 -7.875 -2.434 4.080 1.00 0.00 O ATOM 630 CB VAL A 45 -5.441 -1.625 2.798 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.189 -2.084 4.226 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.490 -2.812 1.848 1.00 0.00 C ATOM 0 H VAL A 45 -6.744 0.154 4.574 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.877 -0.453 1.694 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.614 -0.982 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.262 -2.655 4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.108 -1.215 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.016 -2.711 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.559 -3.374 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.326 -3.458 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.620 -2.455 0.826 1.00 0.00 H new ATOM 642 N GLY A 46 -8.968 -1.680 2.264 1.00 0.00 N ATOM 643 CA GLY A 46 -10.137 -2.501 2.520 1.00 0.00 C ATOM 644 C GLY A 46 -11.134 -1.821 3.438 1.00 0.00 C ATOM 645 O GLY A 46 -11.795 -2.477 4.242 1.00 0.00 O ATOM 0 H GLY A 46 -9.029 -1.096 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.623 -2.740 1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.823 -3.445 2.965 1.00 0.00 H new ATOM 649 N GLY A 47 -11.240 -0.501 3.320 1.00 0.00 N ATOM 650 CA GLY A 47 -12.164 0.246 4.153 1.00 0.00 C ATOM 651 C GLY A 47 -11.907 0.039 5.633 1.00 0.00 C ATOM 652 O GLY A 47 -12.804 -0.358 6.377 1.00 0.00 O ATOM 0 H GLY A 47 -10.703 0.064 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.083 1.307 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.185 -0.056 3.919 1.00 0.00 H new ATOM 656 N LYS A 48 -10.678 0.306 6.061 1.00 0.00 N ATOM 657 CA LYS A 48 -10.304 0.147 7.462 1.00 0.00 C ATOM 658 C LYS A 48 -8.956 0.802 7.743 1.00 0.00 C ATOM 659 O LYS A 48 -7.985 0.587 7.015 1.00 0.00 O ATOM 660 CB LYS A 48 -10.249 -1.337 7.831 1.00 0.00 C ATOM 661 CG LYS A 48 -9.098 -2.083 7.179 1.00 0.00 C ATOM 662 CD LYS A 48 -9.027 -3.524 7.656 1.00 0.00 C ATOM 663 CE LYS A 48 -9.855 -4.445 6.773 1.00 0.00 C ATOM 664 NZ LYS A 48 -11.315 -4.279 7.013 1.00 0.00 N ATOM 0 H LYS A 48 -9.923 0.634 5.458 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.061 0.639 8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.165 -1.431 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.188 -1.810 7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.217 -2.063 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.160 -1.577 7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.989 -3.857 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.384 -3.586 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.634 -4.240 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.571 -5.480 6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.790 -5.198 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.469 -3.914 7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.707 -3.608 6.321 1.00 0.00 H new ATOM 678 N THR A 49 -8.900 1.602 8.803 1.00 0.00 N ATOM 679 CA THR A 49 -7.671 2.287 9.180 1.00 0.00 C ATOM 680 C THR A 49 -6.568 1.291 9.520 1.00 0.00 C ATOM 681 O THR A 49 -6.820 0.258 10.140 1.00 0.00 O ATOM 682 CB THR A 49 -7.894 3.220 10.385 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.955 4.139 10.103 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.624 3.989 10.718 1.00 0.00 C ATOM 0 H THR A 49 -9.693 1.791 9.416 1.00 0.00 H new ATOM 0 HA THR A 49 -7.366 2.883 8.320 1.00 0.00 H new ATOM 0 HB THR A 49 -8.164 2.607 11.245 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.092 4.728 10.875 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.807 4.641 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.827 3.287 10.962 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.327 4.591 9.859 1.00 0.00 H new ATOM 692 N VAL A 50 -5.343 1.609 9.111 1.00 0.00 N ATOM 693 CA VAL A 50 -4.201 0.742 9.375 1.00 0.00 C ATOM 694 C VAL A 50 -2.975 1.555 9.774 1.00 0.00 C ATOM 695 O VAL A 50 -2.969 2.781 9.671 1.00 0.00 O ATOM 696 CB VAL A 50 -3.854 -0.119 8.146 1.00 0.00 C ATOM 697 CG1 VAL A 50 -5.070 -0.909 7.687 1.00 0.00 C ATOM 698 CG2 VAL A 50 -3.319 0.752 7.019 1.00 0.00 C ATOM 0 H VAL A 50 -5.117 2.460 8.596 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.484 0.088 10.200 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.075 -0.827 8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.806 -1.511 6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.405 -1.562 8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.872 -0.220 7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.079 0.127 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.074 1.485 6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.420 1.269 7.354 1.00 0.00 H new ATOM 708 N GLY A 51 -1.935 0.863 10.231 1.00 0.00 N ATOM 709 CA GLY A 51 -0.717 1.537 10.639 1.00 0.00 C ATOM 710 C GLY A 51 -0.324 1.211 12.066 1.00 0.00 C ATOM 711 O GLY A 51 0.809 0.808 12.328 1.00 0.00 O ATOM 0 H GLY A 51 -1.915 -0.152 10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.094 1.253 9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.851 2.614 10.539 1.00 0.00 H new ATOM 715 N SER A 52 -1.261 1.387 12.991 1.00 0.00 N ATOM 716 CA SER A 52 -1.005 1.114 14.401 1.00 0.00 C ATOM 717 C SER A 52 -1.501 -0.277 14.784 1.00 0.00 C ATOM 718 O SER A 52 -2.631 -0.653 14.469 1.00 0.00 O ATOM 719 CB SER A 52 -1.683 2.169 15.278 1.00 0.00 C ATOM 720 OG SER A 52 -0.917 3.361 15.326 1.00 0.00 O ATOM 0 H SER A 52 -2.205 1.717 12.790 1.00 0.00 H new ATOM 0 HA SER A 52 0.072 1.154 14.564 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.677 2.387 14.887 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.816 1.777 16.287 1.00 0.00 H new ATOM 0 HG SER A 52 -1.372 4.020 15.891 1.00 0.00 H new ATOM 726 N SER A 53 -0.649 -1.036 15.464 1.00 0.00 N ATOM 727 CA SER A 53 -0.997 -2.387 15.887 1.00 0.00 C ATOM 728 C SER A 53 -1.738 -3.129 14.779 1.00 0.00 C ATOM 729 O SER A 53 -2.755 -3.778 15.024 1.00 0.00 O ATOM 730 CB SER A 53 -1.859 -2.342 17.151 1.00 0.00 C ATOM 731 OG SER A 53 -1.223 -1.597 18.175 1.00 0.00 O ATOM 0 H SER A 53 0.288 -0.738 15.734 1.00 0.00 H new ATOM 0 HA SER A 53 -0.073 -2.923 16.104 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.826 -1.896 16.920 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.051 -3.356 17.501 1.00 0.00 H new ATOM 0 HG SER A 53 -1.794 -1.582 18.971 1.00 0.00 H new ATOM 737 N SER A 54 -1.220 -3.028 13.559 1.00 0.00 N ATOM 738 CA SER A 54 -1.834 -3.685 12.411 1.00 0.00 C ATOM 739 C SER A 54 -0.774 -4.335 11.527 1.00 0.00 C ATOM 740 O SER A 54 0.327 -3.808 11.370 1.00 0.00 O ATOM 741 CB SER A 54 -2.648 -2.680 11.595 1.00 0.00 C ATOM 742 OG SER A 54 -3.813 -2.278 12.296 1.00 0.00 O ATOM 0 H SER A 54 -0.377 -2.498 13.340 1.00 0.00 H new ATOM 0 HA SER A 54 -2.500 -4.463 12.783 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.035 -1.807 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.929 -3.125 10.641 1.00 0.00 H new ATOM 0 HG SER A 54 -3.560 -1.708 13.052 1.00 0.00 H new ATOM 748 N ARG A 55 -1.115 -5.484 10.952 1.00 0.00 N ATOM 749 CA ARG A 55 -0.194 -6.207 10.084 1.00 0.00 C ATOM 750 C ARG A 55 0.453 -5.266 9.073 1.00 0.00 C ATOM 751 O ARG A 55 1.611 -5.445 8.694 1.00 0.00 O ATOM 752 CB ARG A 55 -0.926 -7.334 9.353 1.00 0.00 C ATOM 753 CG ARG A 55 -2.239 -6.898 8.723 1.00 0.00 C ATOM 754 CD ARG A 55 -3.214 -8.059 8.609 1.00 0.00 C ATOM 755 NE ARG A 55 -4.057 -8.185 9.795 1.00 0.00 N ATOM 756 CZ ARG A 55 -5.180 -7.499 9.975 1.00 0.00 C ATOM 757 NH1 ARG A 55 -5.593 -6.643 9.050 1.00 0.00 N ATOM 758 NH2 ARG A 55 -5.893 -7.669 11.081 1.00 0.00 N ATOM 0 H ARG A 55 -2.023 -5.934 11.072 1.00 0.00 H new ATOM 0 HA ARG A 55 0.590 -6.637 10.707 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.275 -7.735 8.576 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.121 -8.145 10.055 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.685 -6.104 9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.049 -6.482 7.733 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.843 -7.919 7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.659 -8.985 8.459 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.767 -8.836 10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.048 -6.510 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.456 -6.117 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.579 -8.327 11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.755 -7.142 11.218 1.00 0.00 H new ATOM 772 N PHE A 56 -0.302 -4.262 8.639 1.00 0.00 N ATOM 773 CA PHE A 56 0.196 -3.293 7.670 1.00 0.00 C ATOM 774 C PHE A 56 1.157 -2.309 8.331 1.00 0.00 C ATOM 775 O PHE A 56 0.733 -1.370 9.005 1.00 0.00 O ATOM 776 CB PHE A 56 -0.968 -2.535 7.030 1.00 0.00 C ATOM 777 CG PHE A 56 -2.147 -3.408 6.708 1.00 0.00 C ATOM 778 CD1 PHE A 56 -3.131 -3.642 7.654 1.00 0.00 C ATOM 779 CD2 PHE A 56 -2.271 -3.994 5.458 1.00 0.00 C ATOM 780 CE1 PHE A 56 -4.218 -4.445 7.361 1.00 0.00 C ATOM 781 CE2 PHE A 56 -3.355 -4.797 5.159 1.00 0.00 C ATOM 782 CZ PHE A 56 -4.329 -5.024 6.112 1.00 0.00 C ATOM 0 H PHE A 56 -1.262 -4.098 8.943 1.00 0.00 H new ATOM 0 HA PHE A 56 0.736 -3.836 6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.288 -1.740 7.704 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.620 -2.056 6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.048 -3.192 8.632 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.512 -3.821 4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.979 -4.619 8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.441 -5.247 4.181 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.176 -5.653 5.881 1.00 0.00 H new ATOM 792 N GLN A 57 2.452 -2.532 8.132 1.00 0.00 N ATOM 793 CA GLN A 57 3.473 -1.665 8.710 1.00 0.00 C ATOM 794 C GLN A 57 3.907 -0.596 7.713 1.00 0.00 C ATOM 795 O GLN A 57 4.699 -0.861 6.809 1.00 0.00 O ATOM 796 CB GLN A 57 4.684 -2.491 9.149 1.00 0.00 C ATOM 797 CG GLN A 57 5.833 -1.650 9.681 1.00 0.00 C ATOM 798 CD GLN A 57 6.846 -2.470 10.455 1.00 0.00 C ATOM 799 OE1 GLN A 57 6.865 -3.698 10.368 1.00 0.00 O ATOM 800 NE2 GLN A 57 7.697 -1.793 11.218 1.00 0.00 N ATOM 0 H GLN A 57 2.819 -3.304 7.576 1.00 0.00 H new ATOM 0 HA GLN A 57 3.044 -1.171 9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.373 -3.195 9.920 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.037 -3.080 8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.332 -1.155 8.848 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.436 -0.866 10.326 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.645 -0.775 11.260 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.402 -2.291 11.761 1.00 0.00 H new ATOM 809 N ALA A 58 3.382 0.613 7.884 1.00 0.00 N ATOM 810 CA ALA A 58 3.716 1.723 7.000 1.00 0.00 C ATOM 811 C ALA A 58 4.984 2.432 7.464 1.00 0.00 C ATOM 812 O ALA A 58 4.939 3.301 8.335 1.00 0.00 O ATOM 813 CB ALA A 58 2.557 2.706 6.925 1.00 0.00 C ATOM 0 H ALA A 58 2.724 0.849 8.627 1.00 0.00 H new ATOM 0 HA ALA A 58 3.900 1.319 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.821 3.530 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.673 2.198 6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.346 3.096 7.921 1.00 0.00 H new ATOM 819 N THR A 59 6.116 2.055 6.878 1.00 0.00 N ATOM 820 CA THR A 59 7.397 2.653 7.233 1.00 0.00 C ATOM 821 C THR A 59 7.572 4.013 6.567 1.00 0.00 C ATOM 822 O THR A 59 7.128 4.224 5.438 1.00 0.00 O ATOM 823 CB THR A 59 8.573 1.743 6.831 1.00 0.00 C ATOM 824 OG1 THR A 59 8.554 1.513 5.418 1.00 0.00 O ATOM 825 CG2 THR A 59 8.503 0.413 7.567 1.00 0.00 C ATOM 0 H THR A 59 6.172 1.338 6.155 1.00 0.00 H new ATOM 0 HA THR A 59 7.398 2.778 8.316 1.00 0.00 H new ATOM 0 HB THR A 59 9.502 2.244 7.104 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.306 0.935 5.171 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.343 -0.213 7.267 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.547 0.589 8.642 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.569 -0.091 7.320 1.00 0.00 H new ATOM 833 N ARG A 60 8.221 4.933 7.273 1.00 0.00 N ATOM 834 CA ARG A 60 8.454 6.274 6.750 1.00 0.00 C ATOM 835 C ARG A 60 9.880 6.412 6.224 1.00 0.00 C ATOM 836 O ARG A 60 10.840 6.376 6.992 1.00 0.00 O ATOM 837 CB ARG A 60 8.196 7.320 7.836 1.00 0.00 C ATOM 838 CG ARG A 60 7.877 8.701 7.287 1.00 0.00 C ATOM 839 CD ARG A 60 7.071 9.522 8.281 1.00 0.00 C ATOM 840 NE ARG A 60 7.806 9.758 9.521 1.00 0.00 N ATOM 841 CZ ARG A 60 8.695 10.733 9.674 1.00 0.00 C ATOM 842 NH1 ARG A 60 8.956 11.560 8.671 1.00 0.00 N ATOM 843 NH2 ARG A 60 9.323 10.884 10.833 1.00 0.00 N ATOM 0 H ARG A 60 8.595 4.774 8.209 1.00 0.00 H new ATOM 0 HA ARG A 60 7.763 6.440 5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.367 6.986 8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.073 7.388 8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.804 9.223 7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.319 8.604 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.805 10.478 7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.138 9.005 8.506 1.00 0.00 H new ATOM 0 HE ARG A 60 7.627 9.140 10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.474 11.448 7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.639 12.308 8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.123 10.251 11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.006 11.633 10.949 1.00 0.00 H new ATOM 857 N GLN A 61 10.008 6.570 4.910 1.00 0.00 N ATOM 858 CA GLN A 61 11.316 6.712 4.282 1.00 0.00 C ATOM 859 C GLN A 61 11.412 8.027 3.516 1.00 0.00 C ATOM 860 O GLN A 61 10.968 8.125 2.373 1.00 0.00 O ATOM 861 CB GLN A 61 11.582 5.538 3.339 1.00 0.00 C ATOM 862 CG GLN A 61 13.060 5.247 3.132 1.00 0.00 C ATOM 863 CD GLN A 61 13.772 6.352 2.377 1.00 0.00 C ATOM 864 OE1 GLN A 61 13.985 7.443 2.905 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.145 6.074 1.133 1.00 0.00 N ATOM 0 H GLN A 61 9.222 6.603 4.261 1.00 0.00 H new ATOM 0 HA GLN A 61 12.071 6.715 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.097 4.646 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.123 5.747 2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.538 5.108 4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.169 4.310 2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.948 5.156 0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.628 6.779 0.576 1.00 0.00 H new ATOM 874 N GLY A 62 11.995 9.038 4.155 1.00 0.00 N ATOM 875 CA GLY A 62 12.138 10.334 3.518 1.00 0.00 C ATOM 876 C GLY A 62 10.883 10.759 2.781 1.00 0.00 C ATOM 877 O GLY A 62 9.793 10.766 3.352 1.00 0.00 O ATOM 0 H GLY A 62 12.370 8.982 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.383 11.081 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.973 10.301 2.818 1.00 0.00 H new ATOM 881 N ARG A 63 11.038 11.117 1.511 1.00 0.00 N ATOM 882 CA ARG A 63 9.909 11.549 0.696 1.00 0.00 C ATOM 883 C ARG A 63 9.268 10.362 -0.017 1.00 0.00 C ATOM 884 O ARG A 63 8.883 10.459 -1.183 1.00 0.00 O ATOM 885 CB ARG A 63 10.362 12.590 -0.330 1.00 0.00 C ATOM 886 CG ARG A 63 11.447 12.089 -1.268 1.00 0.00 C ATOM 887 CD ARG A 63 11.951 13.197 -2.180 1.00 0.00 C ATOM 888 NE ARG A 63 12.408 12.681 -3.468 1.00 0.00 N ATOM 889 CZ ARG A 63 13.286 13.309 -4.241 1.00 0.00 C ATOM 890 NH1 ARG A 63 13.800 14.469 -3.859 1.00 0.00 N ATOM 891 NH2 ARG A 63 13.653 12.775 -5.399 1.00 0.00 N ATOM 0 H ARG A 63 11.934 11.117 1.024 1.00 0.00 H new ATOM 0 HA ARG A 63 9.167 11.998 1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.501 12.905 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.728 13.472 0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.277 11.690 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.058 11.269 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.154 13.923 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.769 13.725 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 63 12.032 11.790 -3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.521 14.882 -2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.474 14.949 -4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.261 11.882 -5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 63 14.328 13.258 -5.992 1.00 0.00 H new ATOM 905 N LYS A 64 9.157 9.243 0.690 1.00 0.00 N ATOM 906 CA LYS A 64 8.562 8.037 0.126 1.00 0.00 C ATOM 907 C LYS A 64 7.831 7.238 1.200 1.00 0.00 C ATOM 908 O LYS A 64 8.242 7.218 2.361 1.00 0.00 O ATOM 909 CB LYS A 64 9.641 7.168 -0.525 1.00 0.00 C ATOM 910 CG LYS A 64 9.123 5.833 -1.030 1.00 0.00 C ATOM 911 CD LYS A 64 10.254 4.946 -1.522 1.00 0.00 C ATOM 912 CE LYS A 64 10.761 5.393 -2.885 1.00 0.00 C ATOM 913 NZ LYS A 64 11.679 4.389 -3.492 1.00 0.00 N ATOM 0 H LYS A 64 9.471 9.146 1.655 1.00 0.00 H new ATOM 0 HA LYS A 64 7.840 8.339 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.083 7.715 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.437 6.990 0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.583 5.326 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.412 6.000 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.073 4.967 -0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.909 3.914 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.914 5.560 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.280 6.346 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.761 4.566 -4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.618 4.465 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.300 3.433 -3.336 1.00 0.00 H new ATOM 927 N TYR A 65 6.746 6.581 0.806 1.00 0.00 N ATOM 928 CA TYR A 65 5.957 5.781 1.735 1.00 0.00 C ATOM 929 C TYR A 65 6.000 4.304 1.356 1.00 0.00 C ATOM 930 O TYR A 65 6.065 3.957 0.176 1.00 0.00 O ATOM 931 CB TYR A 65 4.508 6.271 1.760 1.00 0.00 C ATOM 932 CG TYR A 65 4.353 7.676 2.295 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.555 7.954 3.641 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.006 8.727 1.454 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.413 9.237 4.135 1.00 0.00 C ATOM 936 CE2 TYR A 65 3.864 10.013 1.939 1.00 0.00 C ATOM 937 CZ TYR A 65 4.068 10.262 3.280 1.00 0.00 C ATOM 938 OH TYR A 65 3.928 11.542 3.767 1.00 0.00 O ATOM 0 H TYR A 65 6.393 6.587 -0.151 1.00 0.00 H new ATOM 0 HA TYR A 65 6.389 5.894 2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.102 6.229 0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.914 5.591 2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.828 7.154 4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.845 8.535 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.571 9.435 5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.595 10.818 1.272 1.00 0.00 H new ATOM 0 HH TYR A 65 3.683 12.146 3.035 1.00 0.00 H new ATOM 948 N ILE A 66 5.963 3.439 2.364 1.00 0.00 N ATOM 949 CA ILE A 66 5.995 2.000 2.137 1.00 0.00 C ATOM 950 C ILE A 66 5.084 1.268 3.116 1.00 0.00 C ATOM 951 O ILE A 66 5.306 1.294 4.327 1.00 0.00 O ATOM 952 CB ILE A 66 7.425 1.442 2.268 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.352 2.111 1.252 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.423 -0.068 2.079 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.013 3.368 1.773 1.00 0.00 C ATOM 0 H ILE A 66 5.911 3.710 3.346 1.00 0.00 H new ATOM 0 HA ILE A 66 5.640 1.833 1.120 1.00 0.00 H new ATOM 0 HB ILE A 66 7.796 1.663 3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.124 1.401 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.780 2.355 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.440 -0.448 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.791 -0.529 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.036 -0.310 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.656 3.788 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.248 4.096 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.612 3.127 2.651 1.00 0.00 H new ATOM 967 N LEU A 67 4.057 0.614 2.584 1.00 0.00 N ATOM 968 CA LEU A 67 3.112 -0.128 3.410 1.00 0.00 C ATOM 969 C LEU A 67 3.378 -1.628 3.330 1.00 0.00 C ATOM 970 O LEU A 67 2.962 -2.293 2.380 1.00 0.00 O ATOM 971 CB LEU A 67 1.677 0.171 2.972 1.00 0.00 C ATOM 972 CG LEU A 67 0.575 -0.570 3.730 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.356 0.053 5.100 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.718 -0.568 2.928 1.00 0.00 C ATOM 0 H LEU A 67 3.858 0.583 1.584 1.00 0.00 H new ATOM 0 HA LEU A 67 3.244 0.191 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.503 1.242 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.585 -0.067 1.912 1.00 0.00 H new ATOM 0 HG LEU A 67 0.890 -1.604 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.432 -0.488 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.279 -0.002 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.063 1.096 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.491 -1.100 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.037 0.460 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.553 -1.063 1.971 1.00 0.00 H new ATOM 986 N VAL A 68 4.072 -2.156 4.333 1.00 0.00 N ATOM 987 CA VAL A 68 4.390 -3.578 4.377 1.00 0.00 C ATOM 988 C VAL A 68 3.162 -4.405 4.738 1.00 0.00 C ATOM 989 O VAL A 68 2.754 -4.458 5.898 1.00 0.00 O ATOM 990 CB VAL A 68 5.510 -3.870 5.394 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.800 -5.362 5.454 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.766 -3.088 5.043 1.00 0.00 C ATOM 0 H VAL A 68 4.425 -1.620 5.126 1.00 0.00 H new ATOM 0 HA VAL A 68 4.732 -3.858 3.380 1.00 0.00 H new ATOM 0 HB VAL A 68 5.174 -3.549 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.594 -5.550 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.899 -5.896 5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.115 -5.711 4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.546 -3.307 5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.108 -3.375 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.546 -2.021 5.056 1.00 0.00 H new ATOM 1002 N VAL A 69 2.575 -5.052 3.736 1.00 0.00 N ATOM 1003 CA VAL A 69 1.394 -5.879 3.947 1.00 0.00 C ATOM 1004 C VAL A 69 1.778 -7.275 4.425 1.00 0.00 C ATOM 1005 O VAL A 69 2.149 -8.135 3.626 1.00 0.00 O ATOM 1006 CB VAL A 69 0.557 -6.002 2.659 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.618 -6.943 2.874 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.077 -4.632 2.204 1.00 0.00 C ATOM 0 H VAL A 69 2.899 -5.019 2.769 1.00 0.00 H new ATOM 0 HA VAL A 69 0.797 -5.387 4.715 1.00 0.00 H new ATOM 0 HB VAL A 69 1.188 -6.420 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.198 -7.017 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.248 -7.930 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.252 -6.557 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.512 -4.737 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.538 -4.184 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.937 -3.992 2.008 1.00 0.00 H new ATOM 1018 N ARG A 70 1.686 -7.493 5.732 1.00 0.00 N ATOM 1019 CA ARG A 70 2.025 -8.784 6.317 1.00 0.00 C ATOM 1020 C ARG A 70 0.840 -9.742 6.245 1.00 0.00 C ATOM 1021 O ARG A 70 0.673 -10.604 7.107 1.00 0.00 O ATOM 1022 CB ARG A 70 2.465 -8.609 7.772 1.00 0.00 C ATOM 1023 CG ARG A 70 3.662 -7.688 7.940 1.00 0.00 C ATOM 1024 CD ARG A 70 4.050 -7.540 9.403 1.00 0.00 C ATOM 1025 NE ARG A 70 4.759 -8.716 9.903 1.00 0.00 N ATOM 1026 CZ ARG A 70 4.830 -9.039 11.190 1.00 0.00 C ATOM 1027 NH1 ARG A 70 4.238 -8.279 12.101 1.00 0.00 N ATOM 1028 NH2 ARG A 70 5.493 -10.124 11.567 1.00 0.00 N ATOM 0 H ARG A 70 1.379 -6.792 6.406 1.00 0.00 H new ATOM 0 HA ARG A 70 2.849 -9.209 5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.630 -8.214 8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.708 -9.586 8.189 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.508 -8.082 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.430 -6.708 7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.680 -6.659 9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.154 -7.376 10.001 1.00 0.00 H new ATOM 0 HE ARG A 70 5.225 -9.322 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.727 -7.444 11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.294 -8.529 13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.949 -10.711 10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.547 -10.371 12.555 1.00 0.00 H new ATOM 1042 N GLU A 71 0.020 -9.583 5.210 1.00 0.00 N ATOM 1043 CA GLU A 71 -1.151 -10.433 5.027 1.00 0.00 C ATOM 1044 C GLU A 71 -1.763 -10.225 3.644 1.00 0.00 C ATOM 1045 O GLU A 71 -2.403 -9.207 3.385 1.00 0.00 O ATOM 1046 CB GLU A 71 -2.194 -10.143 6.108 1.00 0.00 C ATOM 1047 CG GLU A 71 -2.033 -10.998 7.353 1.00 0.00 C ATOM 1048 CD GLU A 71 -3.347 -11.229 8.075 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -4.315 -11.669 7.421 1.00 0.00 O ATOM 1050 OE2 GLU A 71 -3.406 -10.971 9.296 1.00 0.00 O ATOM 0 H GLU A 71 0.145 -8.875 4.487 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.831 -11.472 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.131 -9.092 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.189 -10.303 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.601 -11.960 7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.329 -10.516 8.032 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.560 -11.197 2.761 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.092 -11.122 1.406 1.00 0.00 C ATOM 1059 C ALA A 72 -3.048 -12.277 1.127 1.00 0.00 C ATOM 1060 O ALA A 72 -2.659 -13.290 0.547 1.00 0.00 O ATOM 1061 CB ALA A 72 -0.958 -11.116 0.393 1.00 0.00 C ATOM 0 H ALA A 72 -1.031 -12.046 2.960 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.652 -10.191 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.370 -11.060 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.316 -10.253 0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.374 -12.031 0.495 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.300 -12.117 1.545 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.311 -13.147 1.338 1.00 0.00 C ATOM 1069 C ALA A 73 -6.186 -12.822 0.132 1.00 0.00 C ATOM 1070 O ALA A 73 -6.196 -11.700 -0.374 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.166 -13.304 2.586 1.00 0.00 C ATOM 0 H ALA A 73 -4.638 -11.285 2.028 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.800 -14.089 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.917 -14.076 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.534 -13.590 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.661 -12.359 2.809 1.00 0.00 H new ATOM 1077 N PRO A 74 -6.939 -13.826 -0.341 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.831 -13.672 -1.494 1.00 0.00 C ATOM 1079 C PRO A 74 -9.034 -12.788 -1.181 1.00 0.00 C ATOM 1080 O PRO A 74 -9.886 -12.557 -2.038 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.283 -15.104 -1.787 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.151 -15.818 -0.486 1.00 0.00 C ATOM 1083 CD PRO A 74 -6.977 -15.190 0.213 1.00 0.00 C ATOM 0 HA PRO A 74 -7.332 -13.188 -2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.311 -15.128 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.663 -15.565 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.059 -15.717 0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.988 -16.885 -0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.111 -15.181 1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.053 -15.731 0.011 1.00 0.00 H new ATOM 1091 N SER A 75 -9.095 -12.295 0.052 1.00 0.00 N ATOM 1092 CA SER A 75 -10.196 -11.438 0.478 1.00 0.00 C ATOM 1093 C SER A 75 -9.784 -9.969 0.447 1.00 0.00 C ATOM 1094 O SER A 75 -10.387 -9.160 -0.259 1.00 0.00 O ATOM 1095 CB SER A 75 -10.652 -11.821 1.888 1.00 0.00 C ATOM 1096 OG SER A 75 -11.455 -12.988 1.864 1.00 0.00 O ATOM 0 H SER A 75 -8.396 -12.474 0.773 1.00 0.00 H new ATOM 0 HA SER A 75 -11.024 -11.580 -0.216 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.782 -11.988 2.523 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.214 -10.998 2.328 1.00 0.00 H new ATOM 0 HG SER A 75 -11.732 -13.213 2.777 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.755 -9.633 1.216 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.261 -8.262 1.276 1.00 0.00 C ATOM 1104 C ASP A 76 -8.310 -7.606 -0.100 1.00 0.00 C ATOM 1105 O ASP A 76 -8.671 -6.436 -0.228 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.830 -8.236 1.817 1.00 0.00 C ATOM 1107 CG ASP A 76 -6.616 -9.236 2.936 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.322 -9.139 3.962 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -5.743 -10.116 2.786 1.00 0.00 O ATOM 0 H ASP A 76 -8.246 -10.291 1.807 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.906 -7.699 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.134 -8.449 1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.600 -7.234 2.180 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.943 -8.366 -1.126 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.946 -7.859 -2.493 1.00 0.00 C ATOM 1116 C ALA A 77 -9.229 -7.090 -2.790 1.00 0.00 C ATOM 1117 O ALA A 77 -10.327 -7.637 -2.699 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.773 -9.003 -3.481 1.00 0.00 C ATOM 0 H ALA A 77 -7.640 -9.336 -1.037 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.108 -7.171 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.777 -8.610 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.826 -9.508 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.592 -9.712 -3.363 1.00 0.00 H new ATOM 1124 N GLY A 78 -9.082 -5.817 -3.144 1.00 0.00 N ATOM 1125 CA GLY A 78 -10.238 -4.994 -3.449 1.00 0.00 C ATOM 1126 C GLY A 78 -9.853 -3.631 -3.989 1.00 0.00 C ATOM 1127 O GLY A 78 -10.065 -3.340 -5.165 1.00 0.00 O ATOM 0 H GLY A 78 -8.184 -5.341 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.863 -5.507 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.838 -4.868 -2.548 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.286 -2.793 -3.126 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.873 -1.452 -3.524 1.00 0.00 C ATOM 1133 C GLU A 79 -8.068 -0.779 -2.416 1.00 0.00 C ATOM 1134 O GLU A 79 -8.506 -0.714 -1.267 1.00 0.00 O ATOM 1135 CB GLU A 79 -10.095 -0.600 -3.871 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.752 0.692 -4.595 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.867 1.165 -5.506 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -12.046 1.056 -5.106 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -10.563 1.643 -6.618 1.00 0.00 O ATOM 0 H GLU A 79 -9.102 -3.019 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.239 -1.542 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.771 -1.186 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.633 -0.361 -2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.534 1.468 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.846 0.545 -5.183 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.888 -0.280 -2.769 1.00 0.00 N ATOM 1147 CA VAL A 80 -6.021 0.388 -1.806 1.00 0.00 C ATOM 1148 C VAL A 80 -6.090 1.903 -1.963 1.00 0.00 C ATOM 1149 O VAL A 80 -5.797 2.441 -3.031 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.558 -0.067 -1.957 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.670 0.643 -0.946 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.451 -1.577 -1.804 1.00 0.00 C ATOM 0 H VAL A 80 -6.510 -0.326 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.378 0.112 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.215 0.200 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.640 0.308 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.723 1.720 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.010 0.410 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.410 -1.881 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.812 -1.869 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.054 -2.064 -2.571 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.478 2.587 -0.891 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.583 4.041 -0.910 1.00 0.00 C ATOM 1164 C VAL A 81 -5.612 4.675 0.080 1.00 0.00 C ATOM 1165 O VAL A 81 -5.477 4.216 1.215 1.00 0.00 O ATOM 1166 CB VAL A 81 -8.014 4.505 -0.577 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -8.094 6.023 -0.561 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -9.007 3.920 -1.570 1.00 0.00 C ATOM 0 H VAL A 81 -6.725 2.158 0.001 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.330 4.363 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.273 4.142 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.112 6.331 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.411 6.415 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.816 6.412 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.013 4.258 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.753 4.251 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.968 2.832 -1.525 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.938 5.734 -0.356 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.979 6.432 0.492 1.00 0.00 C ATOM 1180 C PHE A 82 -4.189 7.942 0.422 1.00 0.00 C ATOM 1181 O PHE A 82 -3.978 8.561 -0.621 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.549 6.084 0.073 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.509 6.971 0.697 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.042 6.719 1.977 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.999 8.057 0.004 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.085 7.532 2.554 1.00 0.00 C ATOM 1187 CE2 PHE A 82 -0.042 8.874 0.575 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.415 8.612 1.852 1.00 0.00 C ATOM 0 H PHE A 82 -5.038 6.128 -1.292 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.138 6.109 1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.341 5.049 0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.470 6.152 -1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.431 5.877 2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.354 8.267 -0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.271 7.324 3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.348 9.717 0.023 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.162 9.250 2.301 1.00 0.00 H new ATOM 1198 N SER A 83 -4.606 8.528 1.540 1.00 0.00 N ATOM 1199 CA SER A 83 -4.849 9.964 1.605 1.00 0.00 C ATOM 1200 C SER A 83 -3.758 10.664 2.410 1.00 0.00 C ATOM 1201 O SER A 83 -3.394 10.222 3.500 1.00 0.00 O ATOM 1202 CB SER A 83 -6.217 10.243 2.229 1.00 0.00 C ATOM 1203 OG SER A 83 -7.234 10.260 1.243 1.00 0.00 O ATOM 0 H SER A 83 -4.782 8.030 2.413 1.00 0.00 H new ATOM 0 HA SER A 83 -4.834 10.356 0.588 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.442 9.481 2.975 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.194 11.201 2.749 1.00 0.00 H new ATOM 0 HG SER A 83 -8.099 10.439 1.668 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.238 11.759 1.864 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.189 12.521 2.530 1.00 0.00 C ATOM 1211 C VAL A 84 -2.417 14.021 2.375 1.00 0.00 C ATOM 1212 O VAL A 84 -2.594 14.520 1.264 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.797 12.164 1.975 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.700 12.529 0.501 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.291 12.861 2.778 1.00 0.00 C ATOM 0 H VAL A 84 -3.526 12.138 0.962 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.229 12.258 3.587 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.653 11.088 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.290 12.270 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.456 11.980 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.865 13.600 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.268 12.598 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.152 13.940 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.234 12.545 3.820 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.411 14.734 3.496 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.617 16.177 3.485 1.00 0.00 C ATOM 1227 C ARG A 85 -3.714 16.562 2.496 1.00 0.00 C ATOM 1228 O ARG A 85 -3.657 17.621 1.872 1.00 0.00 O ATOM 1229 CB ARG A 85 -1.316 16.897 3.127 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.845 16.633 1.706 1.00 0.00 C ATOM 1231 CD ARG A 85 0.179 17.664 1.258 1.00 0.00 C ATOM 1232 NE ARG A 85 1.544 17.254 1.577 1.00 0.00 N ATOM 1233 CZ ARG A 85 2.596 18.057 1.469 1.00 0.00 C ATOM 1234 NH1 ARG A 85 2.441 19.306 1.051 1.00 0.00 N ATOM 1235 NH2 ARG A 85 3.807 17.611 1.778 1.00 0.00 N ATOM 0 H ARG A 85 -2.266 14.336 4.424 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.929 16.482 4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.456 17.970 3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.536 16.588 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.409 15.636 1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.699 16.649 1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.089 17.821 0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.034 18.619 1.738 1.00 0.00 H new ATOM 0 HE ARG A 85 1.698 16.299 1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.512 19.652 0.812 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.251 19.921 0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.930 16.651 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.615 18.229 1.695 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.710 15.693 2.357 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.805 15.959 1.442 1.00 0.00 C ATOM 1251 C GLY A 86 -5.767 15.067 0.217 1.00 0.00 C ATOM 1252 O GLY A 86 -6.761 14.426 -0.125 1.00 0.00 O ATOM 0 H GLY A 86 -4.778 14.809 2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.752 15.816 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.768 17.002 1.129 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.617 15.025 -0.446 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.453 14.206 -1.642 1.00 0.00 C ATOM 1258 C LEU A 87 -4.953 12.785 -1.402 1.00 0.00 C ATOM 1259 O LEU A 87 -5.182 12.380 -0.261 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.983 14.177 -2.067 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.458 15.439 -2.752 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.957 15.572 -2.545 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.794 15.421 -4.236 1.00 0.00 C ATOM 0 H LEU A 87 -3.784 15.548 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.047 14.650 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.374 13.987 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.837 13.334 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.945 16.303 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.600 16.476 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.741 15.632 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.453 14.704 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.412 16.327 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.335 14.549 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.875 15.374 -4.364 1.00 0.00 H new ATOM 1275 N THR A 88 -5.117 12.030 -2.483 1.00 0.00 N ATOM 1276 CA THR A 88 -5.588 10.654 -2.390 1.00 0.00 C ATOM 1277 C THR A 88 -5.132 9.834 -3.591 1.00 0.00 C ATOM 1278 O THR A 88 -5.045 10.345 -4.708 1.00 0.00 O ATOM 1279 CB THR A 88 -7.125 10.591 -2.295 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.587 11.463 -1.257 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.592 9.171 -2.016 1.00 0.00 C ATOM 0 H THR A 88 -4.930 12.348 -3.434 1.00 0.00 H new ATOM 0 HA THR A 88 -5.157 10.234 -1.481 1.00 0.00 H new ATOM 0 HB THR A 88 -7.540 10.912 -3.251 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.475 11.025 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.680 9.152 -1.953 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.263 8.515 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.168 8.827 -1.073 1.00 0.00 H new ATOM 1289 N SER A 89 -4.841 8.559 -3.355 1.00 0.00 N ATOM 1290 CA SER A 89 -4.389 7.668 -4.418 1.00 0.00 C ATOM 1291 C SER A 89 -5.134 6.337 -4.365 1.00 0.00 C ATOM 1292 O SER A 89 -5.351 5.776 -3.290 1.00 0.00 O ATOM 1293 CB SER A 89 -2.883 7.427 -4.305 1.00 0.00 C ATOM 1294 OG SER A 89 -2.416 6.609 -5.363 1.00 0.00 O ATOM 0 H SER A 89 -4.910 8.119 -2.437 1.00 0.00 H new ATOM 0 HA SER A 89 -4.602 8.146 -5.374 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.357 8.381 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.658 6.954 -3.349 1.00 0.00 H new ATOM 0 HG SER A 89 -1.636 7.030 -5.782 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.523 5.837 -5.532 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.242 4.572 -5.622 1.00 0.00 C ATOM 1302 C LYS A 90 -5.427 3.535 -6.388 1.00 0.00 C ATOM 1303 O LYS A 90 -4.597 3.882 -7.229 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.595 4.779 -6.306 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.691 5.240 -5.360 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.813 5.941 -6.107 1.00 0.00 C ATOM 1307 CE LYS A 90 -10.969 6.285 -5.181 1.00 0.00 C ATOM 1308 NZ LYS A 90 -11.981 7.147 -5.853 1.00 0.00 N ATOM 0 H LYS A 90 -5.352 6.289 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.406 4.203 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.481 5.514 -7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.902 3.845 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.092 4.382 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.270 5.916 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.431 6.852 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.170 5.301 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.445 5.366 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.587 6.796 -4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.753 7.359 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.533 8.035 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.365 6.650 -6.682 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.669 2.263 -6.092 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.959 1.176 -6.756 1.00 0.00 C ATOM 1324 C ALA A 91 -5.701 -0.146 -6.590 1.00 0.00 C ATOM 1325 O ALA A 91 -6.731 -0.211 -5.919 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.543 1.060 -6.211 1.00 0.00 C ATOM 0 H ALA A 91 -6.351 1.959 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.910 1.404 -7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.025 0.245 -6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.008 1.993 -6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.581 0.859 -5.140 1.00 0.00 H new ATOM 1332 N SER A 92 -5.171 -1.198 -7.207 1.00 0.00 N ATOM 1333 CA SER A 92 -5.786 -2.518 -7.131 1.00 0.00 C ATOM 1334 C SER A 92 -4.776 -3.562 -6.665 1.00 0.00 C ATOM 1335 O SER A 92 -3.613 -3.542 -7.070 1.00 0.00 O ATOM 1336 CB SER A 92 -6.357 -2.916 -8.493 1.00 0.00 C ATOM 1337 OG SER A 92 -7.463 -3.790 -8.347 1.00 0.00 O ATOM 0 H SER A 92 -4.318 -1.162 -7.765 1.00 0.00 H new ATOM 0 HA SER A 92 -6.597 -2.473 -6.404 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.665 -2.023 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.583 -3.400 -9.088 1.00 0.00 H new ATOM 0 HG SER A 92 -7.811 -4.028 -9.232 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.228 -4.473 -5.811 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.365 -5.527 -5.288 1.00 0.00 C ATOM 1345 C LEU A 93 -4.853 -6.902 -5.734 1.00 0.00 C ATOM 1346 O LEU A 93 -5.972 -7.307 -5.417 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.316 -5.462 -3.761 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.721 -6.681 -3.056 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.247 -6.830 -3.400 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.911 -6.572 -1.550 1.00 0.00 C ATOM 0 H LEU A 93 -6.187 -4.504 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.362 -5.371 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.739 -4.583 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.330 -5.312 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.246 -7.570 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.841 -7.703 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.136 -6.955 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.707 -5.939 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.481 -7.448 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.413 -5.674 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.975 -6.515 -1.321 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.006 -7.615 -6.469 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.350 -8.945 -6.955 1.00 0.00 C ATOM 1364 C ILE A 94 -3.769 -10.028 -6.051 1.00 0.00 C ATOM 1365 O ILE A 94 -2.565 -10.059 -5.798 1.00 0.00 O ATOM 1366 CB ILE A 94 -3.845 -9.167 -8.393 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.513 -8.176 -9.349 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.113 -10.598 -8.833 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -3.770 -6.865 -9.476 1.00 0.00 C ATOM 0 H ILE A 94 -3.077 -7.294 -6.741 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.438 -9.013 -6.946 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.769 -8.996 -8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.596 -8.634 -10.335 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.527 -7.977 -9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.751 -10.740 -9.851 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.596 -11.287 -8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.185 -10.795 -8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.300 -6.212 -10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.709 -6.385 -8.499 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.764 -7.052 -9.851 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.633 -10.916 -5.570 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.206 -12.002 -4.697 1.00 0.00 C ATOM 1383 C VAL A 95 -4.728 -13.345 -5.195 1.00 0.00 C ATOM 1384 O VAL A 95 -5.929 -13.612 -5.149 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.686 -11.782 -3.250 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.303 -12.965 -2.374 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.116 -10.488 -2.691 1.00 0.00 C ATOM 0 H VAL A 95 -5.633 -10.904 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.116 -12.010 -4.713 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.773 -11.701 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.650 -12.791 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.764 -13.872 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.219 -13.081 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.465 -10.349 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.027 -10.537 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.446 -9.650 -3.305 1.00 0.00 H new ATOM 1397 N ARG A 96 -3.817 -14.188 -5.671 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.185 -15.504 -6.179 1.00 0.00 C ATOM 1399 C ARG A 96 -4.043 -16.566 -5.093 1.00 0.00 C ATOM 1400 O ARG A 96 -3.042 -16.605 -4.379 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.316 -15.871 -7.383 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.653 -15.086 -8.640 1.00 0.00 C ATOM 1403 CD ARG A 96 -5.001 -15.499 -9.210 1.00 0.00 C ATOM 1404 NE ARG A 96 -4.977 -16.858 -9.743 1.00 0.00 N ATOM 1405 CZ ARG A 96 -6.004 -17.421 -10.370 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -7.131 -16.744 -10.541 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -5.906 -18.662 -10.826 1.00 0.00 N ATOM 0 H ARG A 96 -2.819 -13.983 -5.715 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.229 -15.466 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.269 -15.703 -7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.427 -16.936 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.664 -14.020 -8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.876 -15.244 -9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.761 -15.428 -8.431 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.289 -14.805 -10.000 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.124 -17.406 -9.628 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.211 -15.789 -10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.918 -17.178 -11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.041 -19.186 -10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.696 -19.092 -11.307 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.052 -17.424 -4.975 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.038 -18.484 -3.975 1.00 0.00 C ATOM 1423 C GLU A 97 -3.875 -19.443 -4.213 1.00 0.00 C ATOM 1424 O GLU A 97 -3.525 -19.739 -5.356 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.360 -19.254 -3.998 1.00 0.00 C ATOM 1426 CG GLU A 97 -6.598 -20.018 -5.290 1.00 0.00 C ATOM 1427 CD GLU A 97 -7.734 -21.016 -5.178 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -8.029 -21.455 -4.047 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -8.328 -21.357 -6.222 1.00 0.00 O ATOM 0 H GLU A 97 -5.888 -17.405 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.911 -18.022 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.377 -19.955 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.181 -18.554 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.818 -19.311 -6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.685 -20.543 -5.571 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.279 -19.923 -3.126 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.155 -20.846 -3.216 1.00 0.00 C ATOM 1438 C ARG A 98 -2.596 -22.273 -2.907 1.00 0.00 C ATOM 1439 O ARG A 98 -1.834 -23.062 -2.348 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.043 -20.424 -2.254 1.00 0.00 C ATOM 1441 CG ARG A 98 -1.480 -20.387 -0.798 1.00 0.00 C ATOM 1442 CD ARG A 98 -1.260 -21.728 -0.116 1.00 0.00 C ATOM 1443 NE ARG A 98 -1.058 -21.584 1.323 1.00 0.00 N ATOM 1444 CZ ARG A 98 -0.449 -22.494 2.075 1.00 0.00 C ATOM 1445 NH1 ARG A 98 0.015 -23.609 1.526 1.00 0.00 N ATOM 1446 NH2 ARG A 98 -0.303 -22.291 3.378 1.00 0.00 N ATOM 0 H ARG A 98 -3.556 -19.688 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.774 -20.816 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.205 -21.113 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.681 -19.437 -2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.923 -19.613 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.534 -20.117 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.120 -22.373 -0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.393 -22.221 -0.556 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.404 -20.738 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.096 -23.769 0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.482 -24.306 2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.659 -21.435 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.165 -22.991 3.954 1.00 0.00 H new ATOM 1460 N SER A 99 -3.832 -22.598 -3.273 1.00 0.00 N ATOM 1461 CA SER A 99 -4.377 -23.928 -3.030 1.00 0.00 C ATOM 1462 C SER A 99 -4.659 -24.648 -4.345 1.00 0.00 C ATOM 1463 O SER A 99 -4.742 -24.024 -5.402 1.00 0.00 O ATOM 1464 CB SER A 99 -5.661 -23.834 -2.203 1.00 0.00 C ATOM 1465 OG SER A 99 -5.381 -23.440 -0.870 1.00 0.00 O ATOM 0 H SER A 99 -4.475 -21.958 -3.739 1.00 0.00 H new ATOM 0 HA SER A 99 -3.635 -24.501 -2.473 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.342 -23.117 -2.662 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.168 -24.799 -2.202 1.00 0.00 H new ATOM 0 HG SER A 99 -6.218 -23.385 -0.362 1.00 0.00 H new ATOM 1471 N GLY A 100 -4.803 -25.968 -4.272 1.00 0.00 N ATOM 1472 CA GLY A 100 -5.074 -26.752 -5.462 1.00 0.00 C ATOM 1473 C GLY A 100 -3.849 -27.496 -5.957 1.00 0.00 C ATOM 1474 O GLY A 100 -2.805 -27.519 -5.304 1.00 0.00 O ATOM 0 H GLY A 100 -4.737 -26.508 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.868 -27.467 -5.249 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.440 -26.095 -6.251 1.00 0.00 H new ATOM 1478 N PRO A 101 -3.969 -28.124 -7.136 1.00 0.00 N ATOM 1479 CA PRO A 101 -2.873 -28.885 -7.743 1.00 0.00 C ATOM 1480 C PRO A 101 -1.741 -27.986 -8.226 1.00 0.00 C ATOM 1481 O PRO A 101 -1.853 -26.760 -8.197 1.00 0.00 O ATOM 1482 CB PRO A 101 -3.542 -29.587 -8.927 1.00 0.00 C ATOM 1483 CG PRO A 101 -4.709 -28.726 -9.268 1.00 0.00 C ATOM 1484 CD PRO A 101 -5.184 -28.139 -7.967 1.00 0.00 C ATOM 0 HA PRO A 101 -2.408 -29.568 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -2.858 -29.679 -9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.858 -30.596 -8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.424 -27.942 -9.969 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.498 -29.308 -9.745 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.590 -27.137 -8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -5.971 -28.744 -7.517 1.00 0.00 H new ATOM 1492 N SER A 102 -0.650 -28.602 -8.671 1.00 0.00 N ATOM 1493 CA SER A 102 0.504 -27.856 -9.158 1.00 0.00 C ATOM 1494 C SER A 102 0.564 -27.882 -10.682 1.00 0.00 C ATOM 1495 O SER A 102 0.741 -26.847 -11.325 1.00 0.00 O ATOM 1496 CB SER A 102 1.795 -28.436 -8.576 1.00 0.00 C ATOM 1497 OG SER A 102 2.931 -27.748 -9.070 1.00 0.00 O ATOM 0 H SER A 102 -0.541 -29.616 -8.704 1.00 0.00 H new ATOM 0 HA SER A 102 0.400 -26.821 -8.833 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.770 -28.369 -7.488 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.868 -29.494 -8.828 1.00 0.00 H new ATOM 0 HG SER A 102 3.743 -28.136 -8.682 1.00 0.00 H new ATOM 1503 N SER A 103 0.413 -29.072 -11.254 1.00 0.00 N ATOM 1504 CA SER A 103 0.453 -29.234 -12.703 1.00 0.00 C ATOM 1505 C SER A 103 -0.784 -28.623 -13.353 1.00 0.00 C ATOM 1506 O SER A 103 -0.680 -27.820 -14.280 1.00 0.00 O ATOM 1507 CB SER A 103 0.556 -30.716 -13.069 1.00 0.00 C ATOM 1508 OG SER A 103 0.345 -30.915 -14.456 1.00 0.00 O ATOM 0 H SER A 103 0.262 -29.938 -10.737 1.00 0.00 H new ATOM 0 HA SER A 103 1.334 -28.712 -13.078 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.539 -31.095 -12.789 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.179 -31.286 -12.501 1.00 0.00 H new ATOM 0 HG SER A 103 0.418 -31.870 -14.664 1.00 0.00 H new ATOM 1514 N GLY A 104 -1.957 -29.008 -12.858 1.00 0.00 N ATOM 1515 CA GLY A 104 -3.198 -28.489 -13.402 1.00 0.00 C ATOM 1516 C GLY A 104 -4.177 -29.589 -13.764 1.00 0.00 C ATOM 1517 O GLY A 104 -4.826 -29.530 -14.808 1.00 0.00 O ATOM 0 H GLY A 104 -2.069 -29.670 -12.090 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.659 -27.821 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.981 -27.893 -14.289 1.00 0.00 H new TER 1521 GLY A 104