USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 57 THR OG1 : rot 171:sc= 0.477 USER MOD Set 1.2: A 60 SER OG : rot 98:sc= 0.492 USER MOD Single : A 1 MET CE :methyl 158:sc= 0 (180deg=-0.00131) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.442 (180deg=0.38) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 24 THR OG1 : rot -62:sc= 1.21 USER MOD Single : A 30 THR OG1 : rot 78:sc= 1.03 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 82:sc= 0.0371 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0.983 (180deg=0.899) USER MOD Single : A 42 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 33:sc= 1.22 USER MOD Single : A 48 LYS NZ :NH3+ 171:sc=-0.00586 (180deg=-0.0846) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0.513) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.694 5.845 13.797 1.00 0.00 N ATOM 2 CA MET A 1 -5.424 6.412 12.448 1.00 0.00 C ATOM 3 C MET A 1 -6.120 5.582 11.375 1.00 0.00 C ATOM 4 O MET A 1 -6.117 4.338 11.417 1.00 0.00 O ATOM 5 CB MET A 1 -3.911 6.534 12.147 1.00 0.00 C ATOM 6 CG MET A 1 -3.292 7.825 12.704 1.00 0.00 C ATOM 7 SD MET A 1 -3.318 8.025 14.512 1.00 0.00 S ATOM 8 CE MET A 1 -2.004 6.872 15.000 1.00 0.00 C ATOM 0 H1 MET A 1 -5.072 6.299 14.495 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.687 6.018 14.054 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.512 4.821 13.786 1.00 0.00 H new ATOM 0 HA MET A 1 -5.830 7.424 12.438 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.391 5.675 12.572 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.756 6.499 11.069 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.256 7.878 12.370 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.814 8.673 12.260 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.627 7.146 15.985 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.403 5.858 15.033 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.192 6.918 14.275 1.00 0.00 H new ATOM 17 N LYS A 2 -6.735 6.242 10.385 1.00 0.00 N ATOM 18 CA LYS A 2 -7.356 5.612 9.203 1.00 0.00 C ATOM 19 C LYS A 2 -6.544 5.886 7.935 1.00 0.00 C ATOM 20 O LYS A 2 -6.056 6.999 7.729 1.00 0.00 O ATOM 21 CB LYS A 2 -8.813 6.088 9.043 1.00 0.00 C ATOM 22 CG LYS A 2 -9.730 5.450 10.097 1.00 0.00 C ATOM 23 CD LYS A 2 -11.183 5.942 10.017 1.00 0.00 C ATOM 24 CE LYS A 2 -11.322 7.424 10.401 1.00 0.00 C ATOM 25 NZ LYS A 2 -12.738 7.875 10.345 1.00 0.00 N ATOM 0 H LYS A 2 -6.819 7.259 10.380 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.363 4.533 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.854 7.174 9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.172 5.836 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.713 4.367 9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.335 5.665 11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.558 5.795 9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.805 5.338 10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.930 7.578 11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.719 8.033 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.793 8.879 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.104 7.751 9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.309 7.310 11.006 1.00 0.00 H new ATOM 39 N ILE A 3 -6.461 4.876 7.074 1.00 0.00 N ATOM 40 CA ILE A 3 -5.905 4.941 5.714 1.00 0.00 C ATOM 41 C ILE A 3 -6.959 4.517 4.683 1.00 0.00 C ATOM 42 O ILE A 3 -7.944 3.864 5.034 1.00 0.00 O ATOM 43 CB ILE A 3 -4.620 4.088 5.585 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.877 2.593 5.888 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.497 4.677 6.456 1.00 0.00 C ATOM 46 CD1 ILE A 3 -3.743 1.667 5.436 1.00 0.00 C ATOM 0 H ILE A 3 -6.794 3.942 7.311 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.626 5.975 5.513 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.293 4.128 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.028 2.470 6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.801 2.286 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.600 4.066 6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.281 5.695 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.813 4.687 7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.995 0.636 5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.605 1.760 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.821 1.946 5.945 1.00 0.00 H new ATOM 58 N LYS A 4 -6.742 4.844 3.405 1.00 0.00 N ATOM 59 CA LYS A 4 -7.594 4.406 2.281 1.00 0.00 C ATOM 60 C LYS A 4 -6.759 3.711 1.202 1.00 0.00 C ATOM 61 O LYS A 4 -6.020 4.366 0.471 1.00 0.00 O ATOM 62 CB LYS A 4 -8.408 5.588 1.717 1.00 0.00 C ATOM 63 CG LYS A 4 -9.284 6.272 2.783 1.00 0.00 C ATOM 64 CD LYS A 4 -10.185 7.373 2.207 1.00 0.00 C ATOM 65 CE LYS A 4 -11.340 6.801 1.374 1.00 0.00 C ATOM 66 NZ LYS A 4 -12.234 7.878 0.867 1.00 0.00 N ATOM 0 H LYS A 4 -5.959 5.429 3.112 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.309 3.673 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.725 6.322 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.043 5.232 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.905 5.521 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.641 6.702 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.590 7.972 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.588 8.041 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.938 6.235 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.917 6.104 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.003 7.456 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.636 8.402 1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.688 8.529 0.268 1.00 0.00 H new ATOM 80 N ILE A 5 -6.846 2.386 1.105 1.00 0.00 N ATOM 81 CA ILE A 5 -6.127 1.605 0.084 1.00 0.00 C ATOM 82 C ILE A 5 -6.975 1.546 -1.195 1.00 0.00 C ATOM 83 O ILE A 5 -8.191 1.362 -1.124 1.00 0.00 O ATOM 84 CB ILE A 5 -5.717 0.204 0.603 1.00 0.00 C ATOM 85 CG1 ILE A 5 -5.018 0.309 1.983 1.00 0.00 C ATOM 86 CG2 ILE A 5 -4.788 -0.486 -0.420 1.00 0.00 C ATOM 87 CD1 ILE A 5 -4.501 -1.020 2.551 1.00 0.00 C ATOM 0 H ILE A 5 -7.416 1.817 1.730 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.188 2.105 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.618 -0.397 0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.180 1.001 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.718 0.744 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.504 -1.470 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.310 -0.594 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.893 0.119 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.029 -0.843 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.334 -1.711 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.772 -1.450 1.864 1.00 0.00 H new ATOM 99 N VAL A 6 -6.350 1.704 -2.365 1.00 0.00 N ATOM 100 CA VAL A 6 -7.013 1.716 -3.682 1.00 0.00 C ATOM 101 C VAL A 6 -6.358 0.680 -4.613 1.00 0.00 C ATOM 102 O VAL A 6 -5.536 1.042 -5.461 1.00 0.00 O ATOM 103 CB VAL A 6 -7.049 3.139 -4.295 1.00 0.00 C ATOM 104 CG1 VAL A 6 -8.055 3.190 -5.453 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.429 4.221 -3.274 1.00 0.00 C ATOM 0 H VAL A 6 -5.340 1.831 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.056 1.426 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.038 3.346 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.072 4.194 -5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.760 2.477 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.048 2.935 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.437 5.195 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.419 4.009 -2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.701 4.228 -2.463 1.00 0.00 H new ATOM 115 N PRO A 7 -6.647 -0.626 -4.432 1.00 0.00 N ATOM 116 CA PRO A 7 -6.102 -1.684 -5.278 1.00 0.00 C ATOM 117 C PRO A 7 -6.827 -1.744 -6.632 1.00 0.00 C ATOM 118 O PRO A 7 -8.055 -1.708 -6.689 1.00 0.00 O ATOM 119 CB PRO A 7 -6.280 -2.970 -4.467 1.00 0.00 C ATOM 120 CG PRO A 7 -7.562 -2.710 -3.672 1.00 0.00 C ATOM 121 CD PRO A 7 -7.535 -1.199 -3.425 1.00 0.00 C ATOM 0 HA PRO A 7 -5.054 -1.516 -5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.377 -3.843 -5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.429 -3.152 -3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.448 -3.009 -4.232 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.573 -3.269 -2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.536 -0.776 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.175 -0.977 -2.420 1.00 0.00 H new ATOM 129 N ALA A 8 -6.083 -1.898 -7.730 1.00 0.00 N ATOM 130 CA ALA A 8 -6.596 -2.016 -9.102 1.00 0.00 C ATOM 131 C ALA A 8 -7.226 -3.398 -9.429 1.00 0.00 C ATOM 132 O ALA A 8 -7.133 -3.887 -10.559 1.00 0.00 O ATOM 133 CB ALA A 8 -5.461 -1.621 -10.060 1.00 0.00 C ATOM 0 H ALA A 8 -5.065 -1.946 -7.688 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.438 -1.335 -9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.810 -1.698 -11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.154 -0.595 -9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.612 -2.289 -9.914 1.00 0.00 H new ATOM 139 N VAL A 9 -7.835 -4.054 -8.433 1.00 0.00 N ATOM 140 CA VAL A 9 -8.348 -5.438 -8.474 1.00 0.00 C ATOM 141 C VAL A 9 -9.700 -5.516 -7.746 1.00 0.00 C ATOM 142 O VAL A 9 -9.935 -4.776 -6.789 1.00 0.00 O ATOM 143 CB VAL A 9 -7.321 -6.427 -7.865 1.00 0.00 C ATOM 144 CG1 VAL A 9 -7.771 -7.890 -7.989 1.00 0.00 C ATOM 145 CG2 VAL A 9 -5.936 -6.325 -8.519 1.00 0.00 C ATOM 0 H VAL A 9 -7.994 -3.614 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.500 -5.727 -9.514 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.259 -6.137 -6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.017 -8.541 -7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.718 -8.025 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.898 -8.144 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.259 -7.041 -8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.019 -6.545 -9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.545 -5.316 -8.387 1.00 0.00 H new ATOM 155 N GLY A 10 -10.603 -6.397 -8.190 1.00 0.00 N ATOM 156 CA GLY A 10 -11.892 -6.643 -7.521 1.00 0.00 C ATOM 157 C GLY A 10 -12.893 -5.481 -7.617 1.00 0.00 C ATOM 158 O GLY A 10 -13.681 -5.266 -6.693 1.00 0.00 O ATOM 0 H GLY A 10 -10.463 -6.963 -9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.347 -7.534 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.705 -6.859 -6.469 1.00 0.00 H new ATOM 162 N GLY A 11 -12.841 -4.706 -8.709 1.00 0.00 N ATOM 163 CA GLY A 11 -13.702 -3.542 -8.976 1.00 0.00 C ATOM 164 C GLY A 11 -13.012 -2.174 -8.837 1.00 0.00 C ATOM 165 O GLY A 11 -13.595 -1.159 -9.218 1.00 0.00 O ATOM 0 H GLY A 11 -12.173 -4.878 -9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.101 -3.629 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.552 -3.574 -8.294 1.00 0.00 H new ATOM 169 N GLY A 12 -11.773 -2.129 -8.332 1.00 0.00 N ATOM 170 CA GLY A 12 -10.923 -0.925 -8.332 1.00 0.00 C ATOM 171 C GLY A 12 -11.280 0.164 -7.303 1.00 0.00 C ATOM 172 O GLY A 12 -10.694 1.249 -7.336 1.00 0.00 O ATOM 0 H GLY A 12 -11.323 -2.939 -7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.892 -1.234 -8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.960 -0.481 -9.327 1.00 0.00 H new ATOM 176 N SER A 13 -12.249 -0.086 -6.414 1.00 0.00 N ATOM 177 CA SER A 13 -12.778 0.905 -5.458 1.00 0.00 C ATOM 178 C SER A 13 -11.829 1.183 -4.275 1.00 0.00 C ATOM 179 O SER A 13 -11.104 0.277 -3.845 1.00 0.00 O ATOM 180 CB SER A 13 -14.139 0.454 -4.911 1.00 0.00 C ATOM 181 OG SER A 13 -15.112 0.433 -5.943 1.00 0.00 O ATOM 0 H SER A 13 -12.698 -0.998 -6.334 1.00 0.00 H new ATOM 0 HA SER A 13 -12.881 1.833 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.048 -0.538 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.459 1.128 -4.116 1.00 0.00 H new ATOM 0 HG SER A 13 -15.972 0.141 -5.575 1.00 0.00 H new ATOM 187 N PRO A 14 -11.847 2.402 -3.694 1.00 0.00 N ATOM 188 CA PRO A 14 -11.152 2.708 -2.443 1.00 0.00 C ATOM 189 C PRO A 14 -11.766 1.957 -1.246 1.00 0.00 C ATOM 190 O PRO A 14 -12.984 1.776 -1.169 1.00 0.00 O ATOM 191 CB PRO A 14 -11.273 4.227 -2.272 1.00 0.00 C ATOM 192 CG PRO A 14 -12.590 4.554 -2.970 1.00 0.00 C ATOM 193 CD PRO A 14 -12.605 3.568 -4.138 1.00 0.00 C ATOM 0 HA PRO A 14 -10.111 2.387 -2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.293 4.513 -1.220 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.434 4.752 -2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.445 4.412 -2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.621 5.588 -3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.626 3.292 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.155 4.010 -5.027 1.00 0.00 H new ATOM 201 N LEU A 15 -10.923 1.565 -0.286 1.00 0.00 N ATOM 202 CA LEU A 15 -11.296 0.862 0.948 1.00 0.00 C ATOM 203 C LEU A 15 -10.642 1.532 2.168 1.00 0.00 C ATOM 204 O LEU A 15 -9.420 1.494 2.331 1.00 0.00 O ATOM 205 CB LEU A 15 -10.894 -0.625 0.840 1.00 0.00 C ATOM 206 CG LEU A 15 -11.597 -1.426 -0.274 1.00 0.00 C ATOM 207 CD1 LEU A 15 -10.976 -2.820 -0.377 1.00 0.00 C ATOM 208 CD2 LEU A 15 -13.096 -1.598 -0.012 1.00 0.00 C ATOM 0 H LEU A 15 -9.919 1.735 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.376 0.918 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.817 -0.681 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.099 -1.109 1.795 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.466 -0.862 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.475 -3.383 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.915 -2.729 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.094 -3.342 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.544 -2.169 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.242 -2.130 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.570 -0.618 0.048 1.00 0.00 H new ATOM 220 N GLU A 16 -11.455 2.159 3.023 1.00 0.00 N ATOM 221 CA GLU A 16 -11.016 2.781 4.281 1.00 0.00 C ATOM 222 C GLU A 16 -10.817 1.736 5.398 1.00 0.00 C ATOM 223 O GLU A 16 -11.673 0.866 5.593 1.00 0.00 O ATOM 224 CB GLU A 16 -12.020 3.871 4.692 1.00 0.00 C ATOM 225 CG GLU A 16 -11.562 4.679 5.916 1.00 0.00 C ATOM 226 CD GLU A 16 -12.503 5.864 6.215 1.00 0.00 C ATOM 227 OE1 GLU A 16 -13.747 5.690 6.199 1.00 0.00 O ATOM 228 OE2 GLU A 16 -12.004 6.980 6.498 1.00 0.00 O ATOM 0 H GLU A 16 -12.457 2.252 2.859 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.043 3.245 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.175 4.549 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.982 3.407 4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.517 4.024 6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.552 5.053 5.746 1.00 0.00 H new ATOM 235 N LEU A 17 -9.703 1.816 6.138 1.00 0.00 N ATOM 236 CA LEU A 17 -9.320 0.840 7.169 1.00 0.00 C ATOM 237 C LEU A 17 -8.444 1.468 8.276 1.00 0.00 C ATOM 238 O LEU A 17 -7.597 2.320 8.006 1.00 0.00 O ATOM 239 CB LEU A 17 -8.641 -0.351 6.457 1.00 0.00 C ATOM 240 CG LEU A 17 -8.410 -1.584 7.356 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.850 -2.869 6.651 1.00 0.00 C ATOM 242 CD2 LEU A 17 -6.932 -1.738 7.703 1.00 0.00 C ATOM 0 H LEU A 17 -9.029 2.575 6.035 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.205 0.485 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.254 -0.647 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.681 -0.022 6.059 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.999 -1.427 8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.676 -3.722 7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.911 -2.807 6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.277 -2.995 5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.797 -2.614 8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.354 -1.860 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.588 -0.850 8.233 1.00 0.00 H new ATOM 254 N GLU A 18 -8.650 1.058 9.533 1.00 0.00 N ATOM 255 CA GLU A 18 -7.871 1.510 10.701 1.00 0.00 C ATOM 256 C GLU A 18 -6.529 0.762 10.834 1.00 0.00 C ATOM 257 O GLU A 18 -6.497 -0.470 10.768 1.00 0.00 O ATOM 258 CB GLU A 18 -8.680 1.323 11.996 1.00 0.00 C ATOM 259 CG GLU A 18 -9.931 2.207 12.065 1.00 0.00 C ATOM 260 CD GLU A 18 -10.672 2.009 13.399 1.00 0.00 C ATOM 261 OE1 GLU A 18 -11.478 1.053 13.517 1.00 0.00 O ATOM 262 OE2 GLU A 18 -10.459 2.811 14.342 1.00 0.00 O ATOM 0 H GLU A 18 -9.379 0.387 9.776 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.658 2.567 10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.977 0.278 12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.040 1.544 12.850 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.648 3.254 11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.597 1.967 11.236 1.00 0.00 H new ATOM 269 N VAL A 19 -5.432 1.490 11.080 1.00 0.00 N ATOM 270 CA VAL A 19 -4.066 0.939 11.228 1.00 0.00 C ATOM 271 C VAL A 19 -3.272 1.601 12.361 1.00 0.00 C ATOM 272 O VAL A 19 -3.523 2.749 12.740 1.00 0.00 O ATOM 273 CB VAL A 19 -3.253 1.007 9.913 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.883 0.171 8.797 1.00 0.00 C ATOM 275 CG2 VAL A 19 -3.046 2.438 9.404 1.00 0.00 C ATOM 0 H VAL A 19 -5.464 2.504 11.185 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.215 -0.109 11.489 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.279 0.590 10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.276 0.251 7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.934 -0.872 9.108 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.889 0.538 8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.469 2.415 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.015 2.901 9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.507 3.017 10.154 1.00 0.00 H new ATOM 285 N ALA A 20 -2.286 0.873 12.890 1.00 0.00 N ATOM 286 CA ALA A 20 -1.310 1.374 13.859 1.00 0.00 C ATOM 287 C ALA A 20 -0.277 2.332 13.211 1.00 0.00 C ATOM 288 O ALA A 20 0.056 2.165 12.032 1.00 0.00 O ATOM 289 CB ALA A 20 -0.619 0.156 14.496 1.00 0.00 C ATOM 0 H ALA A 20 -2.141 -0.108 12.649 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.822 1.964 14.619 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.117 0.495 15.225 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.363 -0.466 14.994 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.120 -0.426 13.721 1.00 0.00 H new ATOM 295 N PRO A 21 0.308 3.287 13.965 1.00 0.00 N ATOM 296 CA PRO A 21 1.385 4.161 13.472 1.00 0.00 C ATOM 297 C PRO A 21 2.693 3.405 13.158 1.00 0.00 C ATOM 298 O PRO A 21 3.534 3.897 12.403 1.00 0.00 O ATOM 299 CB PRO A 21 1.596 5.195 14.586 1.00 0.00 C ATOM 300 CG PRO A 21 1.167 4.457 15.854 1.00 0.00 C ATOM 301 CD PRO A 21 0.020 3.576 15.366 1.00 0.00 C ATOM 0 HA PRO A 21 1.104 4.615 12.522 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.636 5.516 14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.995 6.089 14.421 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.981 3.865 16.272 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.843 5.147 16.633 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.043 2.658 15.950 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.937 4.087 15.471 1.00 0.00 H new ATOM 309 N ASN A 22 2.855 2.194 13.707 1.00 0.00 N ATOM 310 CA ASN A 22 3.994 1.298 13.480 1.00 0.00 C ATOM 311 C ASN A 22 3.932 0.523 12.142 1.00 0.00 C ATOM 312 O ASN A 22 4.768 -0.352 11.911 1.00 0.00 O ATOM 313 CB ASN A 22 4.115 0.337 14.683 1.00 0.00 C ATOM 314 CG ASN A 22 4.340 1.027 16.021 1.00 0.00 C ATOM 315 OD1 ASN A 22 4.900 2.112 16.121 1.00 0.00 O ATOM 316 ND2 ASN A 22 3.910 0.417 17.104 1.00 0.00 N ATOM 0 H ASN A 22 2.168 1.797 14.347 1.00 0.00 H new ATOM 0 HA ASN A 22 4.887 1.918 13.396 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.207 -0.263 14.746 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.940 -0.352 14.500 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.044 0.848 18.019 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.443 -0.487 17.029 1.00 0.00 H new ATOM 323 N ALA A 23 2.954 0.798 11.267 1.00 0.00 N ATOM 324 CA ALA A 23 2.806 0.127 9.973 1.00 0.00 C ATOM 325 C ALA A 23 4.058 0.291 9.081 1.00 0.00 C ATOM 326 O ALA A 23 4.559 1.404 8.884 1.00 0.00 O ATOM 327 CB ALA A 23 1.541 0.650 9.280 1.00 0.00 C ATOM 0 H ALA A 23 2.236 1.501 11.443 1.00 0.00 H new ATOM 0 HA ALA A 23 2.704 -0.944 10.145 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.423 0.155 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.672 0.441 9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.628 1.726 9.128 1.00 0.00 H new ATOM 333 N THR A 24 4.548 -0.826 8.534 1.00 0.00 N ATOM 334 CA THR A 24 5.777 -0.914 7.722 1.00 0.00 C ATOM 335 C THR A 24 5.442 -1.191 6.253 1.00 0.00 C ATOM 336 O THR A 24 4.650 -2.085 5.948 1.00 0.00 O ATOM 337 CB THR A 24 6.713 -2.007 8.278 1.00 0.00 C ATOM 338 OG1 THR A 24 7.044 -1.748 9.623 1.00 0.00 O ATOM 339 CG2 THR A 24 8.032 -2.143 7.513 1.00 0.00 C ATOM 0 H THR A 24 4.087 -1.729 8.645 1.00 0.00 H new ATOM 0 HA THR A 24 6.291 0.045 7.778 1.00 0.00 H new ATOM 0 HB THR A 24 6.148 -2.933 8.169 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.524 -0.895 9.684 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.635 -2.931 7.964 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.825 -2.395 6.473 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.577 -1.200 7.557 1.00 0.00 H new ATOM 347 N VAL A 25 6.079 -0.473 5.324 1.00 0.00 N ATOM 348 CA VAL A 25 5.823 -0.584 3.870 1.00 0.00 C ATOM 349 C VAL A 25 6.099 -1.996 3.336 1.00 0.00 C ATOM 350 O VAL A 25 5.305 -2.532 2.564 1.00 0.00 O ATOM 351 CB VAL A 25 6.655 0.469 3.112 1.00 0.00 C ATOM 352 CG1 VAL A 25 6.568 0.323 1.588 1.00 0.00 C ATOM 353 CG2 VAL A 25 6.187 1.886 3.468 1.00 0.00 C ATOM 0 H VAL A 25 6.798 0.213 5.555 1.00 0.00 H new ATOM 0 HA VAL A 25 4.763 -0.392 3.701 1.00 0.00 H new ATOM 0 HB VAL A 25 7.687 0.303 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.175 1.094 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.936 -0.660 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.531 0.432 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.787 2.615 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.138 2.002 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.303 2.049 4.539 1.00 0.00 H new ATOM 363 N GLY A 26 7.180 -2.634 3.797 1.00 0.00 N ATOM 364 CA GLY A 26 7.522 -4.019 3.447 1.00 0.00 C ATOM 365 C GLY A 26 6.477 -5.042 3.908 1.00 0.00 C ATOM 366 O GLY A 26 6.196 -5.998 3.183 1.00 0.00 O ATOM 0 H GLY A 26 7.850 -2.199 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.640 -4.094 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.485 -4.270 3.891 1.00 0.00 H new ATOM 370 N ALA A 27 5.838 -4.821 5.063 1.00 0.00 N ATOM 371 CA ALA A 27 4.739 -5.657 5.547 1.00 0.00 C ATOM 372 C ALA A 27 3.477 -5.494 4.680 1.00 0.00 C ATOM 373 O ALA A 27 2.872 -6.496 4.298 1.00 0.00 O ATOM 374 CB ALA A 27 4.468 -5.337 7.025 1.00 0.00 C ATOM 0 H ALA A 27 6.072 -4.052 5.690 1.00 0.00 H new ATOM 0 HA ALA A 27 5.029 -6.705 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.649 -5.959 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.364 -5.539 7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.198 -4.286 7.126 1.00 0.00 H new ATOM 380 N VAL A 28 3.120 -4.258 4.299 1.00 0.00 N ATOM 381 CA VAL A 28 1.987 -3.966 3.391 1.00 0.00 C ATOM 382 C VAL A 28 2.200 -4.613 2.013 1.00 0.00 C ATOM 383 O VAL A 28 1.310 -5.309 1.518 1.00 0.00 O ATOM 384 CB VAL A 28 1.748 -2.443 3.274 1.00 0.00 C ATOM 385 CG1 VAL A 28 0.662 -2.086 2.248 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.314 -1.850 4.622 1.00 0.00 C ATOM 0 H VAL A 28 3.611 -3.421 4.613 1.00 0.00 H new ATOM 0 HA VAL A 28 1.088 -4.407 3.822 1.00 0.00 H new ATOM 0 HB VAL A 28 2.700 -2.025 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.539 -1.004 2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.956 -2.452 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.281 -2.548 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.152 -0.778 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.389 -2.325 4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.093 -2.026 5.364 1.00 0.00 H new ATOM 396 N ARG A 29 3.400 -4.468 1.432 1.00 0.00 N ATOM 397 CA ARG A 29 3.818 -5.152 0.191 1.00 0.00 C ATOM 398 C ARG A 29 3.698 -6.672 0.314 1.00 0.00 C ATOM 399 O ARG A 29 3.035 -7.296 -0.512 1.00 0.00 O ATOM 400 CB ARG A 29 5.264 -4.746 -0.163 1.00 0.00 C ATOM 401 CG ARG A 29 5.343 -3.407 -0.921 1.00 0.00 C ATOM 402 CD ARG A 29 5.367 -3.597 -2.447 1.00 0.00 C ATOM 403 NE ARG A 29 6.667 -4.140 -2.907 1.00 0.00 N ATOM 404 CZ ARG A 29 7.014 -4.463 -4.143 1.00 0.00 C ATOM 405 NH1 ARG A 29 6.187 -4.393 -5.146 1.00 0.00 N ATOM 406 NH2 ARG A 29 8.226 -4.865 -4.397 1.00 0.00 N ATOM 0 H ARG A 29 4.124 -3.861 1.816 1.00 0.00 H new ATOM 0 HA ARG A 29 3.149 -4.841 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.850 -4.674 0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.717 -5.529 -0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.489 -2.787 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.239 -2.869 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.564 -4.272 -2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.177 -2.642 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 29 7.377 -4.281 -2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.228 -4.079 -4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.498 -4.652 -6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.910 -4.931 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.492 -5.114 -5.350 1.00 0.00 H new ATOM 420 N THR A 30 4.268 -7.260 1.369 1.00 0.00 N ATOM 421 CA THR A 30 4.239 -8.716 1.604 1.00 0.00 C ATOM 422 C THR A 30 2.807 -9.243 1.735 1.00 0.00 C ATOM 423 O THR A 30 2.476 -10.265 1.129 1.00 0.00 O ATOM 424 CB THR A 30 5.067 -9.099 2.844 1.00 0.00 C ATOM 425 OG1 THR A 30 6.417 -8.733 2.654 1.00 0.00 O ATOM 426 CG2 THR A 30 5.063 -10.602 3.134 1.00 0.00 C ATOM 0 H THR A 30 4.767 -6.741 2.092 1.00 0.00 H new ATOM 0 HA THR A 30 4.690 -9.187 0.730 1.00 0.00 H new ATOM 0 HB THR A 30 4.605 -8.572 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.519 -7.770 2.804 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.665 -10.803 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.040 -10.937 3.307 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.481 -11.138 2.282 1.00 0.00 H new ATOM 434 N LYS A 31 1.929 -8.521 2.451 1.00 0.00 N ATOM 435 CA LYS A 31 0.508 -8.873 2.606 1.00 0.00 C ATOM 436 C LYS A 31 -0.195 -8.951 1.249 1.00 0.00 C ATOM 437 O LYS A 31 -0.804 -9.968 0.931 1.00 0.00 O ATOM 438 CB LYS A 31 -0.196 -7.858 3.535 1.00 0.00 C ATOM 439 CG LYS A 31 -1.342 -8.487 4.349 1.00 0.00 C ATOM 440 CD LYS A 31 -0.933 -8.824 5.793 1.00 0.00 C ATOM 441 CE LYS A 31 0.256 -9.793 5.877 1.00 0.00 C ATOM 442 NZ LYS A 31 0.674 -10.021 7.287 1.00 0.00 N ATOM 0 H LYS A 31 2.189 -7.667 2.944 1.00 0.00 H new ATOM 0 HA LYS A 31 0.449 -9.861 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.537 -7.430 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.590 -7.037 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.188 -7.800 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.679 -9.396 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.679 -7.902 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.786 -9.261 6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.015 -10.744 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.095 -9.392 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.479 -10.680 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.955 -9.116 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.120 -10.426 7.823 1.00 0.00 H new ATOM 456 N VAL A 32 -0.051 -7.916 0.418 1.00 0.00 N ATOM 457 CA VAL A 32 -0.702 -7.838 -0.900 1.00 0.00 C ATOM 458 C VAL A 32 -0.135 -8.866 -1.886 1.00 0.00 C ATOM 459 O VAL A 32 -0.915 -9.536 -2.566 1.00 0.00 O ATOM 460 CB VAL A 32 -0.647 -6.400 -1.448 1.00 0.00 C ATOM 461 CG1 VAL A 32 -1.182 -6.299 -2.882 1.00 0.00 C ATOM 462 CG2 VAL A 32 -1.505 -5.488 -0.557 1.00 0.00 C ATOM 0 H VAL A 32 0.523 -7.102 0.638 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.753 -8.099 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 32 0.400 -6.095 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.121 -5.265 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.585 -6.932 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.221 -6.628 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.470 -4.468 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.536 -5.842 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.118 -5.506 0.462 1.00 0.00 H new ATOM 472 N CYS A 33 1.185 -9.082 -1.921 1.00 0.00 N ATOM 473 CA CYS A 33 1.795 -10.141 -2.735 1.00 0.00 C ATOM 474 C CYS A 33 1.280 -11.544 -2.348 1.00 0.00 C ATOM 475 O CYS A 33 0.985 -12.349 -3.232 1.00 0.00 O ATOM 476 CB CYS A 33 3.326 -10.069 -2.623 1.00 0.00 C ATOM 477 SG CYS A 33 3.957 -8.576 -3.447 1.00 0.00 S ATOM 0 H CYS A 33 1.858 -8.531 -1.389 1.00 0.00 H new ATOM 0 HA CYS A 33 1.503 -9.975 -3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.620 -10.063 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.771 -10.956 -3.074 1.00 0.00 H new ATOM 0 HG CYS A 33 3.839 -7.557 -2.649 1.00 0.00 H new ATOM 483 N ALA A 34 1.106 -11.828 -1.050 1.00 0.00 N ATOM 484 CA ALA A 34 0.520 -13.083 -0.566 1.00 0.00 C ATOM 485 C ALA A 34 -0.983 -13.210 -0.902 1.00 0.00 C ATOM 486 O ALA A 34 -1.425 -14.271 -1.346 1.00 0.00 O ATOM 487 CB ALA A 34 0.771 -13.187 0.944 1.00 0.00 C ATOM 0 H ALA A 34 1.370 -11.187 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 34 1.003 -13.914 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.342 -14.115 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.844 -13.179 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.306 -12.340 1.449 1.00 0.00 H new ATOM 493 N MET A 35 -1.762 -12.130 -0.750 1.00 0.00 N ATOM 494 CA MET A 35 -3.203 -12.095 -1.054 1.00 0.00 C ATOM 495 C MET A 35 -3.502 -12.263 -2.554 1.00 0.00 C ATOM 496 O MET A 35 -4.458 -12.952 -2.917 1.00 0.00 O ATOM 497 CB MET A 35 -3.810 -10.775 -0.545 1.00 0.00 C ATOM 498 CG MET A 35 -3.904 -10.721 0.987 1.00 0.00 C ATOM 499 SD MET A 35 -4.156 -9.058 1.681 1.00 0.00 S ATOM 500 CE MET A 35 -5.837 -8.702 1.100 1.00 0.00 C ATOM 0 H MET A 35 -1.404 -11.239 -0.406 1.00 0.00 H new ATOM 0 HA MET A 35 -3.659 -12.942 -0.542 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.204 -9.941 -0.898 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.805 -10.649 -0.971 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.725 -11.361 1.309 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.990 -11.140 1.408 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.139 -7.713 1.444 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.859 -8.729 0.011 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.525 -9.450 1.495 1.00 0.00 H new ATOM 510 N LYS A 36 -2.698 -11.649 -3.436 1.00 0.00 N ATOM 511 CA LYS A 36 -2.813 -11.768 -4.904 1.00 0.00 C ATOM 512 C LYS A 36 -2.104 -13.001 -5.485 1.00 0.00 C ATOM 513 O LYS A 36 -2.418 -13.395 -6.608 1.00 0.00 O ATOM 514 CB LYS A 36 -2.304 -10.470 -5.567 1.00 0.00 C ATOM 515 CG LYS A 36 -3.114 -9.195 -5.247 1.00 0.00 C ATOM 516 CD LYS A 36 -4.600 -9.269 -5.646 1.00 0.00 C ATOM 517 CE LYS A 36 -5.481 -9.829 -4.515 1.00 0.00 C ATOM 518 NZ LYS A 36 -6.821 -10.252 -5.001 1.00 0.00 N ATOM 0 H LYS A 36 -1.932 -11.042 -3.145 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.869 -11.912 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.270 -10.308 -5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.298 -10.613 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.047 -8.995 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.655 -8.349 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.951 -8.274 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.706 -9.897 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.979 -10.679 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.600 -9.071 -3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.378 -10.622 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.313 -9.436 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.711 -10.994 -5.721 1.00 0.00 H new ATOM 532 N LYS A 37 -1.176 -13.616 -4.740 1.00 0.00 N ATOM 533 CA LYS A 37 -0.319 -14.747 -5.160 1.00 0.00 C ATOM 534 C LYS A 37 0.540 -14.446 -6.409 1.00 0.00 C ATOM 535 O LYS A 37 0.837 -15.345 -7.200 1.00 0.00 O ATOM 536 CB LYS A 37 -1.172 -16.029 -5.275 1.00 0.00 C ATOM 537 CG LYS A 37 -0.339 -17.310 -5.079 1.00 0.00 C ATOM 538 CD LYS A 37 -0.924 -18.536 -5.802 1.00 0.00 C ATOM 539 CE LYS A 37 -1.002 -18.409 -7.334 1.00 0.00 C ATOM 540 NZ LYS A 37 0.310 -18.082 -7.952 1.00 0.00 N ATOM 0 H LYS A 37 -0.989 -13.329 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 37 0.428 -14.914 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.968 -16.000 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.651 -16.057 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.674 -17.134 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.265 -17.527 -4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.319 -19.408 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.926 -18.723 -5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.373 -19.344 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.724 -17.635 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.244 -18.191 -8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.567 -17.101 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.038 -18.726 -7.582 1.00 0.00 H new ATOM 554 N LEU A 38 0.916 -13.178 -6.598 1.00 0.00 N ATOM 555 CA LEU A 38 1.717 -12.668 -7.725 1.00 0.00 C ATOM 556 C LEU A 38 3.098 -12.161 -7.244 1.00 0.00 C ATOM 557 O LEU A 38 3.214 -11.701 -6.102 1.00 0.00 O ATOM 558 CB LEU A 38 0.930 -11.558 -8.465 1.00 0.00 C ATOM 559 CG LEU A 38 0.268 -12.011 -9.784 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.832 -13.053 -9.587 1.00 0.00 C ATOM 561 CD2 LEU A 38 -0.361 -10.811 -10.494 1.00 0.00 C ATOM 0 H LEU A 38 0.660 -12.441 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 38 1.903 -13.484 -8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.157 -11.173 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.607 -10.731 -8.679 1.00 0.00 H new ATOM 0 HG LEU A 38 1.066 -12.461 -10.374 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.253 -13.325 -10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.412 -13.940 -9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.617 -12.639 -8.954 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.825 -11.141 -11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.117 -10.362 -9.850 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.411 -10.074 -10.716 1.00 0.00 H new ATOM 573 N PRO A 39 4.150 -12.227 -8.090 1.00 0.00 N ATOM 574 CA PRO A 39 5.497 -11.763 -7.750 1.00 0.00 C ATOM 575 C PRO A 39 5.577 -10.229 -7.581 1.00 0.00 C ATOM 576 O PRO A 39 4.738 -9.500 -8.118 1.00 0.00 O ATOM 577 CB PRO A 39 6.394 -12.262 -8.890 1.00 0.00 C ATOM 578 CG PRO A 39 5.452 -12.309 -10.090 1.00 0.00 C ATOM 579 CD PRO A 39 4.129 -12.734 -9.457 1.00 0.00 C ATOM 0 HA PRO A 39 5.813 -12.154 -6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.233 -11.589 -9.065 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.814 -13.244 -8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.373 -11.340 -10.582 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.789 -13.022 -10.843 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.284 -12.325 -10.011 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.023 -13.819 -9.468 1.00 0.00 H new ATOM 587 N PRO A 40 6.608 -9.705 -6.885 1.00 0.00 N ATOM 588 CA PRO A 40 6.770 -8.270 -6.611 1.00 0.00 C ATOM 589 C PRO A 40 7.050 -7.396 -7.850 1.00 0.00 C ATOM 590 O PRO A 40 7.027 -6.170 -7.738 1.00 0.00 O ATOM 591 CB PRO A 40 7.923 -8.192 -5.601 1.00 0.00 C ATOM 592 CG PRO A 40 8.754 -9.436 -5.897 1.00 0.00 C ATOM 593 CD PRO A 40 7.684 -10.462 -6.255 1.00 0.00 C ATOM 0 HA PRO A 40 5.833 -7.861 -6.233 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.507 -7.281 -5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.556 -8.192 -4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.452 -9.273 -6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.343 -9.747 -5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.079 -11.220 -6.932 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.328 -10.983 -5.366 1.00 0.00 H new ATOM 601 N ASP A 41 7.323 -7.995 -9.016 1.00 0.00 N ATOM 602 CA ASP A 41 7.534 -7.301 -10.298 1.00 0.00 C ATOM 603 C ASP A 41 6.217 -6.889 -10.994 1.00 0.00 C ATOM 604 O ASP A 41 6.137 -5.821 -11.606 1.00 0.00 O ATOM 605 CB ASP A 41 8.345 -8.232 -11.215 1.00 0.00 C ATOM 606 CG ASP A 41 8.794 -7.563 -12.528 1.00 0.00 C ATOM 607 OD1 ASP A 41 9.237 -6.389 -12.505 1.00 0.00 O ATOM 608 OD2 ASP A 41 8.750 -8.234 -13.587 1.00 0.00 O ATOM 0 H ASP A 41 7.406 -9.008 -9.098 1.00 0.00 H new ATOM 0 HA ASP A 41 8.070 -6.374 -10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.225 -8.583 -10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.744 -9.110 -11.451 1.00 0.00 H new ATOM 613 N THR A 42 5.166 -7.714 -10.892 1.00 0.00 N ATOM 614 CA THR A 42 3.845 -7.497 -11.527 1.00 0.00 C ATOM 615 C THR A 42 2.891 -6.624 -10.694 1.00 0.00 C ATOM 616 O THR A 42 1.714 -6.489 -11.040 1.00 0.00 O ATOM 617 CB THR A 42 3.177 -8.837 -11.891 1.00 0.00 C ATOM 618 OG1 THR A 42 3.136 -9.707 -10.780 1.00 0.00 O ATOM 619 CG2 THR A 42 3.926 -9.570 -13.004 1.00 0.00 C ATOM 0 H THR A 42 5.206 -8.578 -10.351 1.00 0.00 H new ATOM 0 HA THR A 42 4.047 -6.938 -12.441 1.00 0.00 H new ATOM 0 HB THR A 42 2.171 -8.583 -12.223 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.569 -10.479 -10.990 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.419 -10.509 -13.227 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.948 -8.948 -13.899 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.946 -9.777 -12.681 1.00 0.00 H new ATOM 627 N THR A 43 3.377 -6.024 -9.602 1.00 0.00 N ATOM 628 CA THR A 43 2.609 -5.175 -8.674 1.00 0.00 C ATOM 629 C THR A 43 3.451 -4.013 -8.128 1.00 0.00 C ATOM 630 O THR A 43 4.647 -4.175 -7.868 1.00 0.00 O ATOM 631 CB THR A 43 1.997 -6.023 -7.544 1.00 0.00 C ATOM 632 OG1 THR A 43 1.208 -5.207 -6.714 1.00 0.00 O ATOM 633 CG2 THR A 43 3.013 -6.706 -6.629 1.00 0.00 C ATOM 0 H THR A 43 4.355 -6.118 -9.326 1.00 0.00 H new ATOM 0 HA THR A 43 1.790 -4.724 -9.234 1.00 0.00 H new ATOM 0 HB THR A 43 1.429 -6.798 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.818 -5.749 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.487 -7.279 -5.865 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.640 -7.375 -7.218 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.637 -5.951 -6.151 1.00 0.00 H new ATOM 641 N ARG A 44 2.843 -2.831 -7.951 1.00 0.00 N ATOM 642 CA ARG A 44 3.483 -1.608 -7.422 1.00 0.00 C ATOM 643 C ARG A 44 2.563 -0.818 -6.487 1.00 0.00 C ATOM 644 O ARG A 44 1.348 -0.777 -6.675 1.00 0.00 O ATOM 645 CB ARG A 44 3.974 -0.698 -8.567 1.00 0.00 C ATOM 646 CG ARG A 44 5.305 -1.153 -9.187 1.00 0.00 C ATOM 647 CD ARG A 44 5.839 -0.065 -10.127 1.00 0.00 C ATOM 648 NE ARG A 44 7.195 -0.387 -10.620 1.00 0.00 N ATOM 649 CZ ARG A 44 8.216 0.444 -10.757 1.00 0.00 C ATOM 650 NH1 ARG A 44 8.137 1.711 -10.459 1.00 0.00 N ATOM 651 NH2 ARG A 44 9.359 0.010 -11.207 1.00 0.00 N ATOM 0 H ARG A 44 1.859 -2.691 -8.179 1.00 0.00 H new ATOM 0 HA ARG A 44 4.340 -1.941 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.212 -0.665 -9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.087 0.318 -8.189 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.032 -1.356 -8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.161 -2.083 -9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.162 0.050 -10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.859 0.891 -9.603 1.00 0.00 H new ATOM 0 HE ARG A 44 7.362 -1.358 -10.884 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.262 2.098 -10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.950 2.315 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.469 -0.973 -11.455 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.144 0.653 -11.311 1.00 0.00 H new ATOM 665 N LEU A 45 3.178 -0.150 -5.510 1.00 0.00 N ATOM 666 CA LEU A 45 2.546 0.634 -4.442 1.00 0.00 C ATOM 667 C LEU A 45 3.150 2.049 -4.396 1.00 0.00 C ATOM 668 O LEU A 45 4.374 2.192 -4.328 1.00 0.00 O ATOM 669 CB LEU A 45 2.759 -0.137 -3.119 1.00 0.00 C ATOM 670 CG LEU A 45 2.406 0.624 -1.828 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.927 0.987 -1.747 1.00 0.00 C ATOM 672 CD2 LEU A 45 2.746 -0.242 -0.615 1.00 0.00 C ATOM 0 H LEU A 45 4.195 -0.140 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 45 1.478 0.760 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.163 -1.049 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.804 -0.441 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 45 2.987 1.546 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.734 1.522 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.661 1.622 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.327 0.077 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.496 0.297 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.174 -1.169 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.811 -0.473 -0.620 1.00 0.00 H new ATOM 684 N THR A 46 2.307 3.085 -4.393 1.00 0.00 N ATOM 685 CA THR A 46 2.723 4.500 -4.298 1.00 0.00 C ATOM 686 C THR A 46 1.795 5.326 -3.398 1.00 0.00 C ATOM 687 O THR A 46 0.622 4.999 -3.198 1.00 0.00 O ATOM 688 CB THR A 46 2.864 5.168 -5.685 1.00 0.00 C ATOM 689 OG1 THR A 46 1.677 5.081 -6.445 1.00 0.00 O ATOM 690 CG2 THR A 46 3.981 4.566 -6.539 1.00 0.00 C ATOM 0 H THR A 46 1.296 2.969 -4.457 1.00 0.00 H new ATOM 0 HA THR A 46 3.709 4.484 -3.833 1.00 0.00 H new ATOM 0 HB THR A 46 3.100 6.206 -5.452 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.811 5.517 -7.312 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.024 5.082 -7.498 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.935 4.679 -6.023 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.782 3.507 -6.705 1.00 0.00 H new ATOM 698 N TYR A 47 2.335 6.420 -2.852 1.00 0.00 N ATOM 699 CA TYR A 47 1.662 7.358 -1.943 1.00 0.00 C ATOM 700 C TYR A 47 2.154 8.789 -2.200 1.00 0.00 C ATOM 701 O TYR A 47 3.347 9.004 -2.424 1.00 0.00 O ATOM 702 CB TYR A 47 1.920 6.926 -0.488 1.00 0.00 C ATOM 703 CG TYR A 47 1.696 8.006 0.564 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.406 8.511 0.817 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.798 8.543 1.256 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.220 9.551 1.751 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.620 9.579 2.190 1.00 0.00 C ATOM 708 CZ TYR A 47 1.330 10.089 2.441 1.00 0.00 C ATOM 709 OH TYR A 47 1.173 11.106 3.330 1.00 0.00 O ATOM 0 H TYR A 47 3.300 6.690 -3.040 1.00 0.00 H new ATOM 0 HA TYR A 47 0.587 7.343 -2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.273 6.079 -0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.948 6.573 -0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.445 8.100 0.293 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.789 8.156 1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.771 9.937 1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.472 9.984 2.715 1.00 0.00 H new ATOM 0 HH TYR A 47 0.304 11.020 3.775 1.00 0.00 H new ATOM 719 N LYS A 48 1.241 9.773 -2.189 1.00 0.00 N ATOM 720 CA LYS A 48 1.538 11.207 -2.402 1.00 0.00 C ATOM 721 C LYS A 48 2.309 11.504 -3.710 1.00 0.00 C ATOM 722 O LYS A 48 3.118 12.434 -3.773 1.00 0.00 O ATOM 723 CB LYS A 48 2.222 11.764 -1.136 1.00 0.00 C ATOM 724 CG LYS A 48 1.925 13.258 -0.919 1.00 0.00 C ATOM 725 CD LYS A 48 2.884 13.907 0.092 1.00 0.00 C ATOM 726 CE LYS A 48 4.332 14.031 -0.414 1.00 0.00 C ATOM 727 NZ LYS A 48 4.440 14.906 -1.612 1.00 0.00 N ATOM 0 H LYS A 48 0.250 9.594 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 48 0.597 11.736 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.886 11.199 -0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.299 11.618 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.998 13.782 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.899 13.374 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.512 14.900 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.879 13.320 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.960 14.431 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.716 13.040 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.443 15.082 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.991 14.438 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.962 15.811 -1.425 1.00 0.00 H new ATOM 741 N GLY A 49 2.094 10.684 -4.746 1.00 0.00 N ATOM 742 CA GLY A 49 2.801 10.748 -6.035 1.00 0.00 C ATOM 743 C GLY A 49 4.246 10.216 -6.019 1.00 0.00 C ATOM 744 O GLY A 49 5.014 10.527 -6.934 1.00 0.00 O ATOM 0 H GLY A 49 1.403 9.935 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.231 10.182 -6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.816 11.785 -6.371 1.00 0.00 H new ATOM 748 N ARG A 50 4.636 9.443 -4.992 1.00 0.00 N ATOM 749 CA ARG A 50 6.014 8.992 -4.718 1.00 0.00 C ATOM 750 C ARG A 50 6.079 7.496 -4.374 1.00 0.00 C ATOM 751 O ARG A 50 5.127 6.927 -3.831 1.00 0.00 O ATOM 752 CB ARG A 50 6.584 9.884 -3.595 1.00 0.00 C ATOM 753 CG ARG A 50 8.119 9.919 -3.541 1.00 0.00 C ATOM 754 CD ARG A 50 8.579 10.952 -2.501 1.00 0.00 C ATOM 755 NE ARG A 50 10.035 11.185 -2.564 1.00 0.00 N ATOM 756 CZ ARG A 50 10.698 12.178 -1.993 1.00 0.00 C ATOM 757 NH1 ARG A 50 10.113 13.058 -1.229 1.00 0.00 N ATOM 758 NH2 ARG A 50 11.980 12.311 -2.184 1.00 0.00 N ATOM 0 H ARG A 50 3.972 9.099 -4.299 1.00 0.00 H new ATOM 0 HA ARG A 50 6.625 9.097 -5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.212 10.900 -3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.205 9.530 -2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.506 8.933 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.521 10.173 -4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.053 11.892 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.309 10.607 -1.503 1.00 0.00 H new ATOM 0 HE ARG A 50 10.585 10.514 -3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.110 12.995 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.658 13.809 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.479 11.647 -2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.485 13.079 -1.741 1.00 0.00 H new ATOM 772 N ALA A 51 7.204 6.853 -4.686 1.00 0.00 N ATOM 773 CA ALA A 51 7.493 5.473 -4.292 1.00 0.00 C ATOM 774 C ALA A 51 8.006 5.410 -2.839 1.00 0.00 C ATOM 775 O ALA A 51 9.080 5.929 -2.525 1.00 0.00 O ATOM 776 CB ALA A 51 8.499 4.877 -5.288 1.00 0.00 C ATOM 0 H ALA A 51 7.953 7.283 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 51 6.579 4.879 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.724 3.848 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.072 4.894 -6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.416 5.465 -5.275 1.00 0.00 H new ATOM 782 N LEU A 52 7.246 4.757 -1.956 1.00 0.00 N ATOM 783 CA LEU A 52 7.655 4.444 -0.583 1.00 0.00 C ATOM 784 C LEU A 52 8.436 3.122 -0.548 1.00 0.00 C ATOM 785 O LEU A 52 7.992 2.117 -1.111 1.00 0.00 O ATOM 786 CB LEU A 52 6.406 4.399 0.326 1.00 0.00 C ATOM 787 CG LEU A 52 6.250 5.648 1.211 1.00 0.00 C ATOM 788 CD1 LEU A 52 6.170 6.947 0.406 1.00 0.00 C ATOM 789 CD2 LEU A 52 4.988 5.517 2.066 1.00 0.00 C ATOM 0 H LEU A 52 6.308 4.424 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 52 8.320 5.222 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.517 4.290 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.461 3.516 0.963 1.00 0.00 H new ATOM 0 HG LEU A 52 7.142 5.704 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.061 7.791 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.081 7.069 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.311 6.908 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.879 6.403 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.117 5.422 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.067 4.633 2.699 1.00 0.00 H new ATOM 801 N LYS A 53 9.590 3.112 0.130 1.00 0.00 N ATOM 802 CA LYS A 53 10.393 1.912 0.432 1.00 0.00 C ATOM 803 C LYS A 53 11.414 2.201 1.543 1.00 0.00 C ATOM 804 O LYS A 53 11.888 3.329 1.666 1.00 0.00 O ATOM 805 CB LYS A 53 11.109 1.424 -0.847 1.00 0.00 C ATOM 806 CG LYS A 53 11.494 -0.067 -0.780 1.00 0.00 C ATOM 807 CD LYS A 53 11.047 -0.900 -1.995 1.00 0.00 C ATOM 808 CE LYS A 53 9.550 -1.269 -2.004 1.00 0.00 C ATOM 809 NZ LYS A 53 8.673 -0.203 -2.560 1.00 0.00 N ATOM 0 H LYS A 53 10.008 3.967 0.498 1.00 0.00 H new ATOM 0 HA LYS A 53 9.725 1.127 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.460 1.589 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.007 2.020 -1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.577 -0.145 -0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.060 -0.501 0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.276 -0.344 -2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.634 -1.818 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.413 -2.180 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.234 -1.492 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.741 -0.604 -2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.561 0.556 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.103 0.185 -3.424 1.00 0.00 H new ATOM 823 N ASP A 54 11.758 1.182 2.336 1.00 0.00 N ATOM 824 CA ASP A 54 12.781 1.225 3.402 1.00 0.00 C ATOM 825 C ASP A 54 12.567 2.326 4.475 1.00 0.00 C ATOM 826 O ASP A 54 13.515 2.832 5.082 1.00 0.00 O ATOM 827 CB ASP A 54 14.188 1.235 2.766 1.00 0.00 C ATOM 828 CG ASP A 54 15.323 0.823 3.726 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.083 0.064 4.696 1.00 0.00 O ATOM 830 OD2 ASP A 54 16.488 1.214 3.470 1.00 0.00 O ATOM 0 H ASP A 54 11.318 0.265 2.255 1.00 0.00 H new ATOM 0 HA ASP A 54 12.673 0.313 3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.191 0.562 1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.395 2.236 2.386 1.00 0.00 H new ATOM 835 N THR A 55 11.309 2.726 4.704 1.00 0.00 N ATOM 836 CA THR A 55 10.915 3.771 5.672 1.00 0.00 C ATOM 837 C THR A 55 10.887 3.280 7.126 1.00 0.00 C ATOM 838 O THR A 55 10.971 4.088 8.049 1.00 0.00 O ATOM 839 CB THR A 55 9.524 4.328 5.315 1.00 0.00 C ATOM 840 OG1 THR A 55 8.564 3.290 5.308 1.00 0.00 O ATOM 841 CG2 THR A 55 9.488 4.978 3.932 1.00 0.00 C ATOM 0 H THR A 55 10.512 2.324 4.210 1.00 0.00 H new ATOM 0 HA THR A 55 11.678 4.546 5.601 1.00 0.00 H new ATOM 0 HB THR A 55 9.300 5.078 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.685 3.659 5.081 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.484 5.353 3.732 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.197 5.805 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.757 4.240 3.176 1.00 0.00 H new ATOM 849 N GLU A 56 10.760 1.963 7.328 1.00 0.00 N ATOM 850 CA GLU A 56 10.507 1.247 8.595 1.00 0.00 C ATOM 851 C GLU A 56 9.164 1.585 9.279 1.00 0.00 C ATOM 852 O GLU A 56 8.367 0.679 9.530 1.00 0.00 O ATOM 853 CB GLU A 56 11.722 1.354 9.536 1.00 0.00 C ATOM 854 CG GLU A 56 11.668 0.314 10.666 1.00 0.00 C ATOM 855 CD GLU A 56 12.878 0.383 11.625 1.00 0.00 C ATOM 856 OE1 GLU A 56 13.993 0.789 11.213 1.00 0.00 O ATOM 857 OE2 GLU A 56 12.726 0.001 12.812 1.00 0.00 O ATOM 0 H GLU A 56 10.837 1.312 6.547 1.00 0.00 H new ATOM 0 HA GLU A 56 10.384 0.197 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.638 1.218 8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.761 2.355 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.752 0.458 11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.617 -0.683 10.229 1.00 0.00 H new ATOM 864 N THR A 57 8.865 2.866 9.523 1.00 0.00 N ATOM 865 CA THR A 57 7.567 3.370 10.022 1.00 0.00 C ATOM 866 C THR A 57 7.221 4.736 9.416 1.00 0.00 C ATOM 867 O THR A 57 8.102 5.531 9.077 1.00 0.00 O ATOM 868 CB THR A 57 7.516 3.495 11.558 1.00 0.00 C ATOM 869 OG1 THR A 57 8.470 4.426 12.027 1.00 0.00 O ATOM 870 CG2 THR A 57 7.734 2.185 12.310 1.00 0.00 C ATOM 0 H THR A 57 9.542 3.614 9.375 1.00 0.00 H new ATOM 0 HA THR A 57 6.836 2.624 9.710 1.00 0.00 H new ATOM 0 HB THR A 57 6.499 3.830 11.763 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.321 4.595 12.981 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.681 2.368 13.383 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.962 1.470 12.026 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.714 1.780 12.059 1.00 0.00 H new ATOM 878 N LEU A 58 5.923 5.036 9.306 1.00 0.00 N ATOM 879 CA LEU A 58 5.431 6.363 8.905 1.00 0.00 C ATOM 880 C LEU A 58 5.673 7.416 9.999 1.00 0.00 C ATOM 881 O LEU A 58 6.005 8.560 9.694 1.00 0.00 O ATOM 882 CB LEU A 58 3.931 6.257 8.561 1.00 0.00 C ATOM 883 CG LEU A 58 3.669 5.500 7.243 1.00 0.00 C ATOM 884 CD1 LEU A 58 2.227 4.998 7.199 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.900 6.401 6.026 1.00 0.00 C ATOM 0 H LEU A 58 5.179 4.364 9.493 1.00 0.00 H new ATOM 0 HA LEU A 58 5.986 6.693 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.412 5.750 9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.508 7.259 8.489 1.00 0.00 H new ATOM 0 HG LEU A 58 4.365 4.662 7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.055 4.466 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.050 4.324 8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.545 5.845 7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.707 5.837 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.226 7.256 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.932 6.752 6.024 1.00 0.00 H new ATOM 897 N GLU A 59 5.552 7.038 11.277 1.00 0.00 N ATOM 898 CA GLU A 59 5.667 7.961 12.415 1.00 0.00 C ATOM 899 C GLU A 59 7.064 8.598 12.552 1.00 0.00 C ATOM 900 O GLU A 59 7.166 9.781 12.887 1.00 0.00 O ATOM 901 CB GLU A 59 5.214 7.230 13.690 1.00 0.00 C ATOM 902 CG GLU A 59 5.030 8.141 14.919 1.00 0.00 C ATOM 903 CD GLU A 59 6.143 8.007 15.983 1.00 0.00 C ATOM 904 OE1 GLU A 59 7.338 7.875 15.637 1.00 0.00 O ATOM 905 OE2 GLU A 59 5.817 8.049 17.198 1.00 0.00 O ATOM 0 H GLU A 59 5.370 6.073 11.554 1.00 0.00 H new ATOM 0 HA GLU A 59 5.009 8.812 12.238 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.272 6.721 13.486 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.946 6.460 13.931 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.986 9.178 14.585 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.070 7.915 15.384 1.00 0.00 H new ATOM 912 N SER A 60 8.128 7.865 12.199 1.00 0.00 N ATOM 913 CA SER A 60 9.510 8.382 12.207 1.00 0.00 C ATOM 914 C SER A 60 9.776 9.451 11.135 1.00 0.00 C ATOM 915 O SER A 60 10.662 10.290 11.319 1.00 0.00 O ATOM 916 CB SER A 60 10.518 7.241 12.017 1.00 0.00 C ATOM 917 OG SER A 60 10.452 6.310 13.087 1.00 0.00 O ATOM 0 H SER A 60 8.058 6.893 11.898 1.00 0.00 H new ATOM 0 HA SER A 60 9.636 8.852 13.182 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.319 6.730 11.075 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.526 7.651 11.950 1.00 0.00 H new ATOM 0 HG SER A 60 9.896 5.547 12.823 1.00 0.00 H new ATOM 923 N LEU A 61 9.029 9.437 10.021 1.00 0.00 N ATOM 924 CA LEU A 61 9.168 10.395 8.910 1.00 0.00 C ATOM 925 C LEU A 61 8.128 11.534 8.947 1.00 0.00 C ATOM 926 O LEU A 61 8.403 12.629 8.449 1.00 0.00 O ATOM 927 CB LEU A 61 9.109 9.634 7.572 1.00 0.00 C ATOM 928 CG LEU A 61 10.161 8.519 7.400 1.00 0.00 C ATOM 929 CD1 LEU A 61 10.043 7.924 5.998 1.00 0.00 C ATOM 930 CD2 LEU A 61 11.598 9.017 7.571 1.00 0.00 C ATOM 0 H LEU A 61 8.296 8.746 9.862 1.00 0.00 H new ATOM 0 HA LEU A 61 10.137 10.882 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.117 9.194 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.228 10.351 6.760 1.00 0.00 H new ATOM 0 HG LEU A 61 9.960 7.782 8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.785 7.136 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.045 7.507 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.214 8.704 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.290 8.185 7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.808 9.786 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.722 9.436 8.570 1.00 0.00 H new ATOM 942 N GLY A 62 6.958 11.293 9.546 1.00 0.00 N ATOM 943 CA GLY A 62 5.857 12.252 9.699 1.00 0.00 C ATOM 944 C GLY A 62 4.515 11.657 9.263 1.00 0.00 C ATOM 945 O GLY A 62 4.080 11.857 8.125 1.00 0.00 O ATOM 0 H GLY A 62 6.742 10.384 9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.793 12.567 10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.068 13.143 9.108 1.00 0.00 H new ATOM 949 N VAL A 63 3.857 10.924 10.167 1.00 0.00 N ATOM 950 CA VAL A 63 2.518 10.337 9.958 1.00 0.00 C ATOM 951 C VAL A 63 1.421 11.417 9.937 1.00 0.00 C ATOM 952 O VAL A 63 1.528 12.439 10.624 1.00 0.00 O ATOM 953 CB VAL A 63 2.244 9.226 10.999 1.00 0.00 C ATOM 954 CG1 VAL A 63 2.156 9.744 12.443 1.00 0.00 C ATOM 955 CG2 VAL A 63 0.967 8.433 10.701 1.00 0.00 C ATOM 0 H VAL A 63 4.244 10.714 11.087 1.00 0.00 H new ATOM 0 HA VAL A 63 2.497 9.869 8.974 1.00 0.00 H new ATOM 0 HB VAL A 63 3.112 8.572 10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.962 8.910 13.118 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.097 10.221 12.716 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.346 10.469 12.521 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.827 7.668 11.465 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.111 9.108 10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.053 7.958 9.724 1.00 0.00 H new ATOM 965 N ALA A 64 0.355 11.189 9.166 1.00 0.00 N ATOM 966 CA ALA A 64 -0.818 12.062 9.066 1.00 0.00 C ATOM 967 C ALA A 64 -2.126 11.255 8.912 1.00 0.00 C ATOM 968 O ALA A 64 -2.126 10.092 8.500 1.00 0.00 O ATOM 969 CB ALA A 64 -0.609 13.045 7.905 1.00 0.00 C ATOM 0 H ALA A 64 0.282 10.362 8.573 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.924 12.625 9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.477 13.700 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.282 13.645 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.483 12.489 6.976 1.00 0.00 H new ATOM 975 N ASP A 65 -3.258 11.871 9.253 1.00 0.00 N ATOM 976 CA ASP A 65 -4.598 11.308 9.056 1.00 0.00 C ATOM 977 C ASP A 65 -5.013 11.330 7.570 1.00 0.00 C ATOM 978 O ASP A 65 -4.736 12.290 6.845 1.00 0.00 O ATOM 979 CB ASP A 65 -5.633 12.057 9.917 1.00 0.00 C ATOM 980 CG ASP A 65 -5.698 13.580 9.675 1.00 0.00 C ATOM 981 OD1 ASP A 65 -4.666 14.278 9.833 1.00 0.00 O ATOM 982 OD2 ASP A 65 -6.804 14.092 9.377 1.00 0.00 O ATOM 0 H ASP A 65 -3.271 12.796 9.683 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.566 10.266 9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.618 11.631 9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.406 11.880 10.968 1.00 0.00 H new ATOM 987 N GLY A 66 -5.717 10.286 7.121 1.00 0.00 N ATOM 988 CA GLY A 66 -6.284 10.209 5.768 1.00 0.00 C ATOM 989 C GLY A 66 -5.277 9.905 4.647 1.00 0.00 C ATOM 990 O GLY A 66 -5.573 10.174 3.481 1.00 0.00 O ATOM 0 H GLY A 66 -5.912 9.463 7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.055 9.439 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.776 11.156 5.544 1.00 0.00 H new ATOM 994 N ASP A 67 -4.100 9.353 4.968 1.00 0.00 N ATOM 995 CA ASP A 67 -3.144 8.853 3.967 1.00 0.00 C ATOM 996 C ASP A 67 -3.776 7.761 3.083 1.00 0.00 C ATOM 997 O ASP A 67 -4.486 6.877 3.576 1.00 0.00 O ATOM 998 CB ASP A 67 -1.857 8.337 4.639 1.00 0.00 C ATOM 999 CG ASP A 67 -0.964 9.434 5.248 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.066 10.615 4.835 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.100 9.095 6.090 1.00 0.00 O ATOM 0 H ASP A 67 -3.782 9.239 5.930 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.877 9.690 3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.131 7.633 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.276 7.782 3.902 1.00 0.00 H new ATOM 1006 N LYS A 68 -3.533 7.817 1.766 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.196 6.950 0.779 1.00 0.00 C ATOM 1008 C LYS A 68 -3.224 6.321 -0.217 1.00 0.00 C ATOM 1009 O LYS A 68 -2.345 6.991 -0.760 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.385 7.683 0.132 1.00 0.00 C ATOM 1011 CG LYS A 68 -5.001 8.869 -0.765 1.00 0.00 C ATOM 1012 CD LYS A 68 -6.254 9.669 -1.150 1.00 0.00 C ATOM 1013 CE LYS A 68 -5.891 10.794 -2.125 1.00 0.00 C ATOM 1014 NZ LYS A 68 -7.067 11.649 -2.434 1.00 0.00 N ATOM 0 H LYS A 68 -2.867 8.469 1.352 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.610 6.091 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.956 6.968 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.045 8.042 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.294 9.515 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.501 8.508 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.990 9.007 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.714 10.089 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.098 11.406 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.500 10.365 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.786 12.400 -3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.814 11.069 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.425 12.078 -1.557 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.364 5.014 -0.414 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.352 4.135 -1.003 1.00 0.00 C ATOM 1030 C PHE A 69 -2.891 3.480 -2.281 1.00 0.00 C ATOM 1031 O PHE A 69 -3.614 2.484 -2.219 1.00 0.00 O ATOM 1032 CB PHE A 69 -1.947 3.081 0.047 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.353 3.564 1.368 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -0.734 4.826 1.498 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -1.399 2.708 2.486 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.197 5.234 2.732 1.00 0.00 C ATOM 1037 CE2 PHE A 69 -0.860 3.114 3.721 1.00 0.00 C ATOM 1038 CZ PHE A 69 -0.266 4.381 3.847 1.00 0.00 C ATOM 0 H PHE A 69 -4.217 4.516 -0.159 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.471 4.711 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.830 2.486 0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.224 2.411 -0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.672 5.483 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.852 1.732 2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.269 6.204 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.903 2.451 4.573 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.136 4.699 4.798 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.559 4.039 -3.447 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.910 3.432 -4.742 1.00 0.00 C ATOM 1050 C VAL A 70 -1.965 2.270 -5.062 1.00 0.00 C ATOM 1051 O VAL A 70 -0.754 2.351 -4.829 1.00 0.00 O ATOM 1052 CB VAL A 70 -3.012 4.485 -5.863 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -1.674 5.144 -6.213 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.606 3.883 -7.142 1.00 0.00 C ATOM 0 H VAL A 70 -2.044 4.916 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.910 3.005 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.671 5.256 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.825 5.873 -7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.274 5.646 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.970 4.382 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.664 4.651 -7.913 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.971 3.068 -7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.605 3.501 -6.934 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.527 1.170 -5.569 1.00 0.00 N ATOM 1065 CA LEU A 71 -1.816 -0.096 -5.743 1.00 0.00 C ATOM 1066 C LEU A 71 -2.207 -0.744 -7.080 1.00 0.00 C ATOM 1067 O LEU A 71 -3.338 -1.195 -7.262 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.095 -0.976 -4.507 1.00 0.00 C ATOM 1069 CG LEU A 71 -0.903 -1.860 -4.115 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -1.140 -2.420 -2.715 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -0.696 -3.033 -5.071 1.00 0.00 C ATOM 0 H LEU A 71 -3.500 1.134 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.738 0.052 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.357 -0.336 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.959 -1.610 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.011 -1.234 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.298 -3.050 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.237 -1.598 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.055 -3.013 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.160 -3.622 -4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.588 -3.660 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.513 -2.655 -6.077 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.275 -0.747 -8.032 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.484 -1.199 -9.415 1.00 0.00 C ATOM 1085 C ILE A 72 -0.910 -2.605 -9.636 1.00 0.00 C ATOM 1086 O ILE A 72 0.158 -2.938 -9.122 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.951 -0.145 -10.417 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -1.332 -0.521 -11.867 1.00 0.00 C ATOM 1089 CG2 ILE A 72 0.568 0.080 -10.290 1.00 0.00 C ATOM 1090 CD1 ILE A 72 -1.163 0.628 -12.869 1.00 0.00 C ATOM 0 H ILE A 72 -0.322 -0.426 -7.861 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.554 -1.288 -9.602 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.431 0.800 -10.163 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.719 -1.363 -12.187 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.369 -0.857 -11.885 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.887 0.828 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.801 0.428 -9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.092 -0.857 -10.481 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.450 0.288 -13.864 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.797 1.464 -12.574 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.122 0.950 -12.881 1.00 0.00 H new ATOM 1102 N THR A 73 -1.604 -3.418 -10.435 1.00 0.00 N ATOM 1103 CA THR A 73 -1.159 -4.752 -10.887 1.00 0.00 C ATOM 1104 C THR A 73 -1.311 -4.881 -12.406 1.00 0.00 C ATOM 1105 O THR A 73 -2.108 -4.156 -13.014 1.00 0.00 O ATOM 1106 CB THR A 73 -1.907 -5.901 -10.183 1.00 0.00 C ATOM 1107 OG1 THR A 73 -3.254 -5.974 -10.599 1.00 0.00 O ATOM 1108 CG2 THR A 73 -1.906 -5.803 -8.658 1.00 0.00 C ATOM 0 H THR A 73 -2.522 -3.164 -10.801 1.00 0.00 H new ATOM 0 HA THR A 73 -0.107 -4.839 -10.615 1.00 0.00 H new ATOM 0 HB THR A 73 -1.355 -6.795 -10.474 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.700 -6.714 -10.136 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.452 -6.648 -8.239 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.879 -5.818 -8.293 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.386 -4.873 -8.353 1.00 0.00 H new ATOM 1116 N ARG A 74 -0.552 -5.790 -13.036 1.00 0.00 N ATOM 1117 CA ARG A 74 -0.607 -6.043 -14.492 1.00 0.00 C ATOM 1118 C ARG A 74 -0.777 -7.530 -14.814 1.00 0.00 C ATOM 1119 O ARG A 74 -0.123 -8.382 -14.213 1.00 0.00 O ATOM 1120 CB ARG A 74 0.618 -5.442 -15.212 1.00 0.00 C ATOM 1121 CG ARG A 74 0.877 -3.967 -14.847 1.00 0.00 C ATOM 1122 CD ARG A 74 1.754 -3.252 -15.884 1.00 0.00 C ATOM 1123 NE ARG A 74 0.967 -2.854 -17.070 1.00 0.00 N ATOM 1124 CZ ARG A 74 1.405 -2.188 -18.125 1.00 0.00 C ATOM 1125 NH1 ARG A 74 2.659 -1.868 -18.273 1.00 0.00 N ATOM 1126 NH2 ARG A 74 0.575 -1.817 -19.058 1.00 0.00 N ATOM 0 H ARG A 74 0.125 -6.378 -12.549 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.495 -5.537 -14.871 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.501 -6.031 -14.964 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.473 -5.522 -16.289 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.076 -3.445 -14.759 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.359 -3.917 -13.871 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.208 -2.369 -15.433 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.569 -3.909 -16.189 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.017 -3.121 -17.075 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.340 -2.132 -17.561 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.960 -1.354 -19.101 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.417 -2.040 -18.976 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.917 -1.303 -19.870 1.00 0.00 H new