USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 520 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 NoAdj-H: A 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0384 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00839 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 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.38) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.703 F(o=-1.8,f=-0.7) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 27 ASN : amide:sc= -0.0074 K(o=-0.0074,f=-1) USER MOD Single : A 30 MET CE :methyl 158:sc= -0.833 (180deg=-1.11) USER MOD Single : A 32 CYS SG : rot 62:sc= -0.858! USER MOD Single : A 48 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 58 ASN : amide:sc= -6.83! C(o=-6.8!,f=-15!) USER MOD Single : A 62 TYR OH : rot -17:sc= -0.435 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.705 46.381 16.794 1.00 0.00 N ATOM 2 CA GLY A 1 -0.924 45.158 16.749 1.00 0.00 C ATOM 3 C GLY A 1 0.275 45.269 15.829 1.00 0.00 C ATOM 4 O GLY A 1 0.815 46.358 15.630 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.859 46.658 17.784 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.193 47.138 16.298 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.623 46.224 16.332 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.585 44.910 17.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.559 44.337 16.416 1.00 0.00 H new ATOM 8 N SER A 2 0.695 44.140 15.268 1.00 0.00 N ATOM 9 CA SER A 2 1.842 44.115 14.368 1.00 0.00 C ATOM 10 C SER A 2 1.672 43.038 13.300 1.00 0.00 C ATOM 11 O SER A 2 0.760 42.214 13.375 1.00 0.00 O ATOM 12 CB SER A 2 3.130 43.868 15.156 1.00 0.00 C ATOM 13 OG SER A 2 3.297 44.837 16.176 1.00 0.00 O ATOM 0 H SER A 2 0.259 43.231 15.421 1.00 0.00 H new ATOM 0 HA SER A 2 1.906 45.085 13.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.105 42.872 15.597 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.985 43.896 14.480 1.00 0.00 H new ATOM 0 HG SER A 2 4.126 44.656 16.666 1.00 0.00 H new ATOM 19 N SER A 3 2.555 43.052 12.308 1.00 0.00 N ATOM 20 CA SER A 3 2.501 42.080 11.222 1.00 0.00 C ATOM 21 C SER A 3 3.574 41.009 11.398 1.00 0.00 C ATOM 22 O SER A 3 4.449 41.126 12.254 1.00 0.00 O ATOM 23 CB SER A 3 2.680 42.780 9.873 1.00 0.00 C ATOM 24 OG SER A 3 1.608 43.670 9.615 1.00 0.00 O ATOM 0 H SER A 3 3.317 43.726 12.233 1.00 0.00 H new ATOM 0 HA SER A 3 1.523 41.598 11.247 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.622 43.328 9.866 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.739 42.036 9.078 1.00 0.00 H new ATOM 0 HG SER A 3 1.746 44.106 8.748 1.00 0.00 H new ATOM 30 N GLY A 4 3.498 39.964 10.580 1.00 0.00 N ATOM 31 CA GLY A 4 4.467 38.887 10.660 1.00 0.00 C ATOM 32 C GLY A 4 4.819 38.321 9.298 1.00 0.00 C ATOM 33 O GLY A 4 4.232 38.706 8.288 1.00 0.00 O ATOM 0 H GLY A 4 2.782 39.844 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.373 39.253 11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.069 38.091 11.289 1.00 0.00 H new ATOM 37 N SER A 5 5.782 37.406 9.271 1.00 0.00 N ATOM 38 CA SER A 5 6.216 36.790 8.022 1.00 0.00 C ATOM 39 C SER A 5 5.893 35.299 8.011 1.00 0.00 C ATOM 40 O SER A 5 6.182 34.583 8.970 1.00 0.00 O ATOM 41 CB SER A 5 7.718 37.000 7.821 1.00 0.00 C ATOM 42 OG SER A 5 8.468 36.274 8.780 1.00 0.00 O ATOM 0 H SER A 5 6.277 37.075 10.099 1.00 0.00 H new ATOM 0 HA SER A 5 5.677 37.267 7.203 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.001 36.683 6.817 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.953 38.061 7.898 1.00 0.00 H new ATOM 0 HG SER A 5 9.425 36.424 8.629 1.00 0.00 H new ATOM 48 N SER A 6 5.293 34.838 6.918 1.00 0.00 N ATOM 49 CA SER A 6 4.927 33.434 6.782 1.00 0.00 C ATOM 50 C SER A 6 4.581 33.100 5.334 1.00 0.00 C ATOM 51 O SER A 6 3.833 33.826 4.679 1.00 0.00 O ATOM 52 CB SER A 6 3.741 33.104 7.690 1.00 0.00 C ATOM 53 OG SER A 6 3.725 31.728 8.029 1.00 0.00 O ATOM 0 H SER A 6 5.050 35.417 6.114 1.00 0.00 H new ATOM 0 HA SER A 6 5.784 32.831 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.796 33.705 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.810 33.369 7.188 1.00 0.00 H new ATOM 0 HG SER A 6 2.959 31.543 8.611 1.00 0.00 H new ATOM 59 N GLY A 7 5.132 31.996 4.839 1.00 0.00 N ATOM 60 CA GLY A 7 4.871 31.585 3.472 1.00 0.00 C ATOM 61 C GLY A 7 5.157 30.114 3.244 1.00 0.00 C ATOM 62 O GLY A 7 6.038 29.761 2.461 1.00 0.00 O ATOM 0 H GLY A 7 5.755 31.379 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.829 31.792 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.483 32.180 2.794 1.00 0.00 H new ATOM 66 N GLU A 8 4.412 29.254 3.932 1.00 0.00 N ATOM 67 CA GLU A 8 4.592 27.813 3.802 1.00 0.00 C ATOM 68 C GLU A 8 3.310 27.069 4.164 1.00 0.00 C ATOM 69 O GLU A 8 2.456 27.594 4.879 1.00 0.00 O ATOM 70 CB GLU A 8 5.740 27.338 4.696 1.00 0.00 C ATOM 71 CG GLU A 8 5.546 27.673 6.165 1.00 0.00 C ATOM 72 CD GLU A 8 4.564 26.743 6.850 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.703 25.512 6.692 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.656 27.246 7.544 1.00 0.00 O ATOM 0 H GLU A 8 3.679 29.530 4.585 1.00 0.00 H new ATOM 0 HA GLU A 8 4.836 27.596 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.850 26.259 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.670 27.789 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.507 27.620 6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.192 28.700 6.256 1.00 0.00 H new ATOM 81 N CYS A 9 3.183 25.845 3.663 1.00 0.00 N ATOM 82 CA CYS A 9 2.004 25.028 3.932 1.00 0.00 C ATOM 83 C CYS A 9 2.405 23.617 4.350 1.00 0.00 C ATOM 84 O CYS A 9 2.882 22.830 3.533 1.00 0.00 O ATOM 85 CB CYS A 9 1.105 24.972 2.696 1.00 0.00 C ATOM 86 SG CYS A 9 -0.596 24.465 3.044 1.00 0.00 S ATOM 0 H CYS A 9 3.881 25.397 3.069 1.00 0.00 H new ATOM 0 HA CYS A 9 1.452 25.487 4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.091 25.955 2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.539 24.279 1.975 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.279 24.450 1.938 1.00 0.00 H new ATOM 92 N GLU A 10 2.209 23.305 5.627 1.00 0.00 N ATOM 93 CA GLU A 10 2.552 21.989 6.153 1.00 0.00 C ATOM 94 C GLU A 10 1.299 21.229 6.577 1.00 0.00 C ATOM 95 O GLU A 10 0.326 21.823 7.042 1.00 0.00 O ATOM 96 CB GLU A 10 3.507 22.123 7.341 1.00 0.00 C ATOM 97 CG GLU A 10 4.969 22.216 6.939 1.00 0.00 C ATOM 98 CD GLU A 10 5.870 22.596 8.099 1.00 0.00 C ATOM 99 OE1 GLU A 10 5.601 23.630 8.745 1.00 0.00 O ATOM 100 OE2 GLU A 10 6.843 21.859 8.359 1.00 0.00 O ATOM 0 H GLU A 10 1.815 23.945 6.316 1.00 0.00 H new ATOM 0 HA GLU A 10 3.046 21.427 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.239 23.011 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.374 21.266 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.292 21.258 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.077 22.953 6.143 1.00 0.00 H new ATOM 107 N VAL A 11 1.329 19.910 6.412 1.00 0.00 N ATOM 108 CA VAL A 11 0.197 19.067 6.777 1.00 0.00 C ATOM 109 C VAL A 11 0.055 18.964 8.291 1.00 0.00 C ATOM 110 O VAL A 11 -1.022 18.660 8.805 1.00 0.00 O ATOM 111 CB VAL A 11 0.339 17.651 6.188 1.00 0.00 C ATOM 112 CG1 VAL A 11 1.494 16.912 6.846 1.00 0.00 C ATOM 113 CG2 VAL A 11 -0.961 16.876 6.347 1.00 0.00 C ATOM 0 H VAL A 11 2.126 19.402 6.028 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.695 19.537 6.362 1.00 0.00 H new ATOM 0 HB VAL A 11 0.556 17.739 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.579 15.914 6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.421 17.460 6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.311 16.832 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.843 15.878 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.210 16.796 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.762 17.398 5.824 1.00 0.00 H new ATOM 123 N TYR A 12 1.148 19.220 9.001 1.00 0.00 N ATOM 124 CA TYR A 12 1.146 19.154 10.458 1.00 0.00 C ATOM 125 C TYR A 12 0.027 20.012 11.040 1.00 0.00 C ATOM 126 O TYR A 12 -0.634 19.620 12.002 1.00 0.00 O ATOM 127 CB TYR A 12 2.496 19.613 11.012 1.00 0.00 C ATOM 128 CG TYR A 12 3.672 18.842 10.456 1.00 0.00 C ATOM 129 CD1 TYR A 12 3.785 17.472 10.654 1.00 0.00 C ATOM 130 CD2 TYR A 12 4.671 19.484 9.734 1.00 0.00 C ATOM 131 CE1 TYR A 12 4.859 16.763 10.148 1.00 0.00 C ATOM 132 CE2 TYR A 12 5.746 18.784 9.224 1.00 0.00 C ATOM 133 CZ TYR A 12 5.836 17.423 9.434 1.00 0.00 C ATOM 134 OH TYR A 12 6.907 16.722 8.928 1.00 0.00 O ATOM 0 H TYR A 12 2.047 19.475 8.592 1.00 0.00 H new ATOM 0 HA TYR A 12 0.974 18.118 10.749 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.629 20.672 10.791 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.487 19.513 12.097 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.021 16.952 11.213 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.605 20.549 9.569 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.932 15.698 10.311 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.512 19.299 8.664 1.00 0.00 H new ATOM 0 HH TYR A 12 7.503 17.336 8.450 1.00 0.00 H new ATOM 144 N ASP A 13 -0.179 21.184 10.450 1.00 0.00 N ATOM 145 CA ASP A 13 -1.219 22.098 10.908 1.00 0.00 C ATOM 146 C ASP A 13 -2.544 21.365 11.093 1.00 0.00 C ATOM 147 O ASP A 13 -2.922 20.504 10.298 1.00 0.00 O ATOM 148 CB ASP A 13 -1.393 23.247 9.913 1.00 0.00 C ATOM 149 CG ASP A 13 -0.130 24.070 9.753 1.00 0.00 C ATOM 150 OD1 ASP A 13 0.158 24.895 10.645 1.00 0.00 O ATOM 151 OD2 ASP A 13 0.572 23.887 8.737 1.00 0.00 O ATOM 0 H ASP A 13 0.360 21.524 9.654 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.911 22.505 11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.685 22.843 8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.205 23.893 10.247 1.00 0.00 H new ATOM 156 N PRO A 14 -3.267 21.711 12.169 1.00 0.00 N ATOM 157 CA PRO A 14 -4.561 21.097 12.484 1.00 0.00 C ATOM 158 C PRO A 14 -5.651 21.504 11.498 1.00 0.00 C ATOM 159 O PRO A 14 -6.590 20.749 11.251 1.00 0.00 O ATOM 160 CB PRO A 14 -4.877 21.635 13.882 1.00 0.00 C ATOM 161 CG PRO A 14 -4.129 22.920 13.972 1.00 0.00 C ATOM 162 CD PRO A 14 -2.878 22.729 13.159 1.00 0.00 C ATOM 0 HA PRO A 14 -4.520 20.009 12.430 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.948 21.790 14.014 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.559 20.937 14.656 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.724 23.746 13.584 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.888 23.160 15.008 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.565 23.657 12.680 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.045 22.392 13.776 1.00 0.00 H new ATOM 170 N ASN A 15 -5.518 22.701 10.937 1.00 0.00 N ATOM 171 CA ASN A 15 -6.493 23.208 9.977 1.00 0.00 C ATOM 172 C ASN A 15 -6.387 22.463 8.650 1.00 0.00 C ATOM 173 O ASN A 15 -7.326 22.453 7.855 1.00 0.00 O ATOM 174 CB ASN A 15 -6.287 24.707 9.752 1.00 0.00 C ATOM 175 CG ASN A 15 -6.626 25.528 10.981 1.00 0.00 C ATOM 176 OD1 ASN A 15 -7.130 25.001 11.974 1.00 0.00 O ATOM 177 ND2 ASN A 15 -6.351 26.825 10.920 1.00 0.00 N ATOM 0 H ASN A 15 -4.745 23.338 11.130 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.489 23.043 10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.250 24.890 9.471 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.906 25.035 8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.557 27.428 11.716 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.933 27.219 10.077 1.00 0.00 H new ATOM 184 N ALA A 16 -5.236 21.841 8.417 1.00 0.00 N ATOM 185 CA ALA A 16 -5.007 21.092 7.188 1.00 0.00 C ATOM 186 C ALA A 16 -5.744 19.757 7.213 1.00 0.00 C ATOM 187 O ALA A 16 -5.434 18.881 8.021 1.00 0.00 O ATOM 188 CB ALA A 16 -3.517 20.871 6.974 1.00 0.00 C ATOM 0 H ALA A 16 -4.447 21.841 9.064 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.399 21.678 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.361 20.310 6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.013 21.835 6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.108 20.309 7.814 1.00 0.00 H new ATOM 194 N LEU A 17 -6.721 19.609 6.325 1.00 0.00 N ATOM 195 CA LEU A 17 -7.503 18.381 6.246 1.00 0.00 C ATOM 196 C LEU A 17 -7.730 17.972 4.794 1.00 0.00 C ATOM 197 O LEU A 17 -8.468 18.631 4.061 1.00 0.00 O ATOM 198 CB LEU A 17 -8.847 18.562 6.952 1.00 0.00 C ATOM 199 CG LEU A 17 -8.788 19.124 8.373 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.107 19.785 8.741 1.00 0.00 C ATOM 201 CD2 LEU A 17 -8.445 18.025 9.368 1.00 0.00 C ATOM 0 H LEU A 17 -6.990 20.324 5.650 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.942 17.590 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.467 19.223 6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.350 17.596 6.985 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.003 19.879 8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.046 20.179 9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.312 20.600 8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.910 19.050 8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.407 18.444 10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.207 17.246 9.327 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.475 17.597 9.117 1.00 0.00 H new ATOM 213 N TYR A 18 -7.092 16.881 4.385 1.00 0.00 N ATOM 214 CA TYR A 18 -7.225 16.385 3.020 1.00 0.00 C ATOM 215 C TYR A 18 -8.352 15.362 2.919 1.00 0.00 C ATOM 216 O TYR A 18 -9.433 15.660 2.410 1.00 0.00 O ATOM 217 CB TYR A 18 -5.910 15.758 2.553 1.00 0.00 C ATOM 218 CG TYR A 18 -4.826 16.772 2.262 1.00 0.00 C ATOM 219 CD1 TYR A 18 -4.991 17.729 1.270 1.00 0.00 C ATOM 220 CD2 TYR A 18 -3.637 16.772 2.982 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.003 18.656 1.000 1.00 0.00 C ATOM 222 CE2 TYR A 18 -2.644 17.696 2.720 1.00 0.00 C ATOM 223 CZ TYR A 18 -2.831 18.636 1.728 1.00 0.00 C ATOM 224 OH TYR A 18 -1.845 19.558 1.463 1.00 0.00 O ATOM 0 H TYR A 18 -6.478 16.323 4.979 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.467 17.230 2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.554 15.068 3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.096 15.170 1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.908 17.749 0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.487 16.037 3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.147 19.392 0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.726 17.682 3.289 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.086 19.408 2.065 1.00 0.00 H new ATOM 234 N CYS A 19 -8.092 14.154 3.409 1.00 0.00 N ATOM 235 CA CYS A 19 -9.083 13.086 3.375 1.00 0.00 C ATOM 236 C CYS A 19 -10.432 13.578 3.892 1.00 0.00 C ATOM 237 O CYS A 19 -10.529 14.662 4.468 1.00 0.00 O ATOM 238 CB CYS A 19 -8.608 11.895 4.210 1.00 0.00 C ATOM 239 SG CYS A 19 -9.494 10.342 3.862 1.00 0.00 S ATOM 0 H CYS A 19 -7.203 13.891 3.834 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.205 12.770 2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.544 11.741 4.032 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.722 12.137 5.267 1.00 0.00 H new ATOM 244 N ILE A 20 -11.469 12.774 3.682 1.00 0.00 N ATOM 245 CA ILE A 20 -12.811 13.127 4.127 1.00 0.00 C ATOM 246 C ILE A 20 -12.955 12.946 5.635 1.00 0.00 C ATOM 247 O ILE A 20 -13.821 13.555 6.264 1.00 0.00 O ATOM 248 CB ILE A 20 -13.882 12.280 3.415 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.603 10.789 3.620 1.00 0.00 C ATOM 250 CG2 ILE A 20 -13.925 12.618 1.933 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.661 9.889 3.021 1.00 0.00 C ATOM 0 H ILE A 20 -11.405 11.874 3.206 1.00 0.00 H new ATOM 0 HA ILE A 20 -12.962 14.176 3.873 1.00 0.00 H new ATOM 0 HB ILE A 20 -14.855 12.511 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.637 10.544 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.526 10.585 4.688 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.687 12.011 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.166 13.674 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.953 12.412 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.398 8.847 3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.626 10.106 3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.722 10.064 1.947 1.00 0.00 H new ATOM 263 N CYS A 21 -12.099 12.107 6.209 1.00 0.00 N ATOM 264 CA CYS A 21 -12.129 11.846 7.643 1.00 0.00 C ATOM 265 C CYS A 21 -11.437 12.966 8.414 1.00 0.00 C ATOM 266 O CYS A 21 -11.159 12.834 9.606 1.00 0.00 O ATOM 267 CB CYS A 21 -11.457 10.507 7.953 1.00 0.00 C ATOM 268 SG CYS A 21 -9.666 10.481 7.622 1.00 0.00 S ATOM 0 H CYS A 21 -11.376 11.596 5.703 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.172 11.803 7.958 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.626 10.262 9.002 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.936 9.726 7.362 1.00 0.00 H new ATOM 273 N ARG A 22 -11.161 14.069 7.725 1.00 0.00 N ATOM 274 CA ARG A 22 -10.501 15.212 8.344 1.00 0.00 C ATOM 275 C ARG A 22 -9.207 14.785 9.032 1.00 0.00 C ATOM 276 O ARG A 22 -9.007 15.051 10.217 1.00 0.00 O ATOM 277 CB ARG A 22 -11.433 15.880 9.357 1.00 0.00 C ATOM 278 CG ARG A 22 -12.787 16.258 8.780 1.00 0.00 C ATOM 279 CD ARG A 22 -12.648 17.237 7.625 1.00 0.00 C ATOM 280 NE ARG A 22 -13.815 18.106 7.500 1.00 0.00 N ATOM 281 CZ ARG A 22 -13.841 19.196 6.741 1.00 0.00 C ATOM 282 NH1 ARG A 22 -12.771 19.548 6.042 1.00 0.00 N ATOM 283 NH2 ARG A 22 -14.941 19.936 6.679 1.00 0.00 N ATOM 0 H ARG A 22 -11.384 14.195 6.738 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.257 15.928 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.582 15.206 10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.950 16.776 9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.301 15.360 8.437 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.405 16.701 9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.756 17.847 7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.507 16.684 6.696 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.656 17.863 8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.924 18.981 6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.795 20.386 5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.767 19.668 7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.961 20.773 6.096 1.00 0.00 H new ATOM 297 N GLN A 23 -8.334 14.122 8.281 1.00 0.00 N ATOM 298 CA GLN A 23 -7.061 13.657 8.819 1.00 0.00 C ATOM 299 C GLN A 23 -5.913 14.007 7.879 1.00 0.00 C ATOM 300 O GLN A 23 -6.068 14.048 6.658 1.00 0.00 O ATOM 301 CB GLN A 23 -7.103 12.146 9.053 1.00 0.00 C ATOM 302 CG GLN A 23 -8.085 11.725 10.134 1.00 0.00 C ATOM 303 CD GLN A 23 -7.459 11.703 11.515 1.00 0.00 C ATOM 304 OE1 GLN A 23 -6.372 11.157 11.708 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.143 12.298 12.485 1.00 0.00 N ATOM 0 H GLN A 23 -8.485 13.895 7.298 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.892 14.160 9.771 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.368 11.649 8.120 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.106 11.801 9.326 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.934 12.409 10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.474 10.734 9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.040 12.738 12.280 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.771 12.315 13.435 1.00 0.00 H new ATOM 314 N PRO A 24 -4.731 14.265 8.458 1.00 0.00 N ATOM 315 CA PRO A 24 -3.532 14.616 7.690 1.00 0.00 C ATOM 316 C PRO A 24 -2.992 13.436 6.888 1.00 0.00 C ATOM 317 O PRO A 24 -3.544 12.336 6.935 1.00 0.00 O ATOM 318 CB PRO A 24 -2.529 15.033 8.768 1.00 0.00 C ATOM 319 CG PRO A 24 -2.974 14.318 9.997 1.00 0.00 C ATOM 320 CD PRO A 24 -4.473 14.235 9.908 1.00 0.00 C ATOM 0 HA PRO A 24 -3.733 15.393 6.953 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.512 14.752 8.493 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.532 16.113 8.915 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.531 13.324 10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.665 14.855 10.894 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.853 13.321 10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.953 15.070 10.419 1.00 0.00 H new ATOM 328 N HIS A 25 -1.910 13.672 6.153 1.00 0.00 N ATOM 329 CA HIS A 25 -1.295 12.628 5.341 1.00 0.00 C ATOM 330 C HIS A 25 -0.282 11.831 6.158 1.00 0.00 C ATOM 331 O HIS A 25 0.876 12.228 6.286 1.00 0.00 O ATOM 332 CB HIS A 25 -0.613 13.240 4.118 1.00 0.00 C ATOM 333 CG HIS A 25 -0.145 12.223 3.122 1.00 0.00 C ATOM 334 ND1 HIS A 25 0.412 11.002 3.298 1.00 0.00 N flip ATOM 335 CD2 HIS A 25 -0.226 12.413 1.758 1.00 0.00 C flip ATOM 336 CE1 HIS A 25 0.654 10.482 2.050 1.00 0.00 C flip ATOM 337 NE2 HIS A 25 0.260 11.352 1.139 1.00 0.00 N flip ATOM 0 H HIS A 25 -1.441 14.576 6.103 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.081 11.950 5.008 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.307 13.923 3.629 1.00 0.00 H new ATOM 0 HB3 HIS A 25 0.240 13.834 4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.624 13.292 1.272 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.095 9.517 1.847 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.321 11.226 0.129 1.00 0.00 H new ATOM 346 N ASN A 26 -0.727 10.707 6.709 1.00 0.00 N ATOM 347 CA ASN A 26 0.141 9.855 7.515 1.00 0.00 C ATOM 348 C ASN A 26 0.824 8.801 6.649 1.00 0.00 C ATOM 349 O ASN A 26 0.446 8.588 5.498 1.00 0.00 O ATOM 350 CB ASN A 26 -0.664 9.175 8.624 1.00 0.00 C ATOM 351 CG ASN A 26 -1.202 10.167 9.638 1.00 0.00 C ATOM 352 OD1 ASN A 26 -0.886 11.355 9.589 1.00 0.00 O ATOM 353 ND2 ASN A 26 -2.019 9.680 10.565 1.00 0.00 N ATOM 0 H ASN A 26 -1.683 10.364 6.613 1.00 0.00 H new ATOM 0 HA ASN A 26 0.909 10.484 7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.495 8.625 8.182 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.033 8.446 9.132 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.412 10.299 11.275 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.254 8.687 10.567 1.00 0.00 H new ATOM 360 N ASN A 27 1.833 8.144 7.212 1.00 0.00 N ATOM 361 CA ASN A 27 2.570 7.112 6.492 1.00 0.00 C ATOM 362 C ASN A 27 1.631 6.276 5.628 1.00 0.00 C ATOM 363 O ASN A 27 1.988 5.866 4.523 1.00 0.00 O ATOM 364 CB ASN A 27 3.316 6.208 7.476 1.00 0.00 C ATOM 365 CG ASN A 27 4.669 6.772 7.867 1.00 0.00 C ATOM 366 OD1 ASN A 27 4.954 7.947 7.635 1.00 0.00 O ATOM 367 ND2 ASN A 27 5.508 5.935 8.465 1.00 0.00 N ATOM 0 H ASN A 27 2.159 8.308 8.165 1.00 0.00 H new ATOM 0 HA ASN A 27 3.293 7.604 5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.710 6.072 8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.451 5.223 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.432 6.258 8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.229 4.969 8.637 1.00 0.00 H new ATOM 374 N ARG A 28 0.430 6.027 6.139 1.00 0.00 N ATOM 375 CA ARG A 28 -0.560 5.239 5.415 1.00 0.00 C ATOM 376 C ARG A 28 -0.588 5.624 3.939 1.00 0.00 C ATOM 377 O ARG A 28 -0.244 6.749 3.574 1.00 0.00 O ATOM 378 CB ARG A 28 -1.947 5.434 6.030 1.00 0.00 C ATOM 379 CG ARG A 28 -2.064 4.906 7.450 1.00 0.00 C ATOM 380 CD ARG A 28 -3.298 5.454 8.149 1.00 0.00 C ATOM 381 NE ARG A 28 -4.526 4.835 7.657 1.00 0.00 N ATOM 382 CZ ARG A 28 -4.998 3.678 8.108 1.00 0.00 C ATOM 383 NH1 ARG A 28 -4.348 3.018 9.057 1.00 0.00 N ATOM 384 NH2 ARG A 28 -6.122 3.179 7.610 1.00 0.00 N ATOM 0 H ARG A 28 0.119 6.360 7.052 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.279 4.189 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.191 6.496 6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.686 4.934 5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.109 3.817 7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.173 5.179 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.212 5.285 9.222 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.350 6.532 7.999 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.050 5.318 6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.484 3.399 9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.712 2.130 9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.625 3.684 6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.483 2.291 7.957 1.00 0.00 H new ATOM 398 N PHE A 29 -0.998 4.684 3.095 1.00 0.00 N ATOM 399 CA PHE A 29 -1.069 4.924 1.658 1.00 0.00 C ATOM 400 C PHE A 29 -2.110 5.993 1.336 1.00 0.00 C ATOM 401 O PHE A 29 -3.149 6.079 1.990 1.00 0.00 O ATOM 402 CB PHE A 29 -1.408 3.628 0.919 1.00 0.00 C ATOM 403 CG PHE A 29 -1.471 3.788 -0.573 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.370 4.239 -1.283 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.633 3.489 -1.267 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.425 4.387 -2.656 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.694 3.634 -2.640 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.589 4.085 -3.335 1.00 0.00 C ATOM 0 H PHE A 29 -1.286 3.748 3.381 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.094 5.279 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.661 2.873 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.367 3.255 1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.543 4.478 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.501 3.139 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.441 4.738 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.605 3.395 -3.169 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.635 4.201 -4.408 1.00 0.00 H new ATOM 418 N MET A 30 -1.822 6.805 0.324 1.00 0.00 N ATOM 419 CA MET A 30 -2.733 7.868 -0.085 1.00 0.00 C ATOM 420 C MET A 30 -2.745 8.018 -1.603 1.00 0.00 C ATOM 421 O MET A 30 -1.749 7.742 -2.272 1.00 0.00 O ATOM 422 CB MET A 30 -2.331 9.192 0.567 1.00 0.00 C ATOM 423 CG MET A 30 -2.769 9.313 2.017 1.00 0.00 C ATOM 424 SD MET A 30 -4.451 9.942 2.184 1.00 0.00 S ATOM 425 CE MET A 30 -4.141 11.551 2.906 1.00 0.00 C ATOM 0 H MET A 30 -0.966 6.747 -0.227 1.00 0.00 H new ATOM 0 HA MET A 30 -3.737 7.600 0.244 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.248 9.300 0.513 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.762 10.014 -0.004 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.701 8.336 2.496 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.083 9.975 2.546 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.992 12.205 2.716 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.997 11.446 3.981 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.245 11.983 2.460 1.00 0.00 H new ATOM 435 N ILE A 31 -3.879 8.457 -2.140 1.00 0.00 N ATOM 436 CA ILE A 31 -4.019 8.644 -3.579 1.00 0.00 C ATOM 437 C ILE A 31 -4.823 9.901 -3.894 1.00 0.00 C ATOM 438 O ILE A 31 -5.543 10.420 -3.040 1.00 0.00 O ATOM 439 CB ILE A 31 -4.703 7.432 -4.240 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.209 7.460 -3.973 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.093 6.136 -3.729 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.560 7.581 -2.506 1.00 0.00 C ATOM 0 H ILE A 31 -4.713 8.689 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.012 8.748 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.543 7.486 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.650 8.297 -4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.658 6.550 -4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.587 5.289 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.029 6.116 -3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.225 6.073 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.644 7.595 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.148 6.731 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.141 8.505 -2.107 1.00 0.00 H new ATOM 454 N CYS A 32 -4.695 10.385 -5.124 1.00 0.00 N ATOM 455 CA CYS A 32 -5.410 11.582 -5.553 1.00 0.00 C ATOM 456 C CYS A 32 -6.590 11.218 -6.449 1.00 0.00 C ATOM 457 O CYS A 32 -6.412 10.669 -7.536 1.00 0.00 O ATOM 458 CB CYS A 32 -4.465 12.528 -6.294 1.00 0.00 C ATOM 459 SG CYS A 32 -3.655 13.745 -5.229 1.00 0.00 S ATOM 0 H CYS A 32 -4.103 9.967 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.792 12.085 -4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.701 11.938 -6.800 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.026 13.053 -7.067 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.921 13.131 -4.349 1.00 0.00 H new ATOM 465 N CYS A 33 -7.796 11.527 -5.984 1.00 0.00 N ATOM 466 CA CYS A 33 -9.007 11.231 -6.740 1.00 0.00 C ATOM 467 C CYS A 33 -9.047 12.034 -8.037 1.00 0.00 C ATOM 468 O CYS A 33 -8.554 13.161 -8.098 1.00 0.00 O ATOM 469 CB CYS A 33 -10.247 11.538 -5.899 1.00 0.00 C ATOM 470 SG CYS A 33 -11.799 10.890 -6.598 1.00 0.00 S ATOM 0 H CYS A 33 -7.961 11.983 -5.086 1.00 0.00 H new ATOM 0 HA CYS A 33 -9.000 10.170 -6.989 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.108 11.121 -4.901 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.336 12.618 -5.784 1.00 0.00 H new ATOM 475 N ASP A 34 -9.638 11.447 -9.072 1.00 0.00 N ATOM 476 CA ASP A 34 -9.744 12.107 -10.368 1.00 0.00 C ATOM 477 C ASP A 34 -10.992 12.982 -10.431 1.00 0.00 C ATOM 478 O ASP A 34 -11.075 13.904 -11.242 1.00 0.00 O ATOM 479 CB ASP A 34 -9.776 11.070 -11.492 1.00 0.00 C ATOM 480 CG ASP A 34 -10.491 11.578 -12.728 1.00 0.00 C ATOM 481 OD1 ASP A 34 -10.215 12.722 -13.146 1.00 0.00 O ATOM 482 OD2 ASP A 34 -11.327 10.831 -13.279 1.00 0.00 O ATOM 0 H ASP A 34 -10.051 10.515 -9.039 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.868 12.743 -10.497 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.755 10.792 -11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.271 10.167 -11.135 1.00 0.00 H new ATOM 487 N ARG A 35 -11.961 12.685 -9.571 1.00 0.00 N ATOM 488 CA ARG A 35 -13.205 13.443 -9.530 1.00 0.00 C ATOM 489 C ARG A 35 -13.150 14.522 -8.453 1.00 0.00 C ATOM 490 O ARG A 35 -13.595 15.651 -8.665 1.00 0.00 O ATOM 491 CB ARG A 35 -14.389 12.509 -9.272 1.00 0.00 C ATOM 492 CG ARG A 35 -14.896 11.808 -10.521 1.00 0.00 C ATOM 493 CD ARG A 35 -16.393 11.552 -10.448 1.00 0.00 C ATOM 494 NE ARG A 35 -16.780 10.352 -11.185 1.00 0.00 N ATOM 495 CZ ARG A 35 -16.918 10.313 -12.505 1.00 0.00 C ATOM 496 NH1 ARG A 35 -16.700 11.401 -13.230 1.00 0.00 N ATOM 497 NH2 ARG A 35 -17.273 9.183 -13.103 1.00 0.00 N ATOM 0 H ARG A 35 -11.908 11.925 -8.893 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.337 13.927 -10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.095 11.758 -8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.204 13.083 -8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.672 12.417 -11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.370 10.862 -10.647 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.693 11.449 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.928 12.412 -10.850 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.954 9.497 -10.657 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.425 12.271 -12.774 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.807 11.368 -14.244 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.440 8.343 -12.549 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.379 9.154 -14.117 1.00 0.00 H new ATOM 511 N CYS A 36 -12.602 14.167 -7.295 1.00 0.00 N ATOM 512 CA CYS A 36 -12.489 15.103 -6.183 1.00 0.00 C ATOM 513 C CYS A 36 -11.187 15.895 -6.268 1.00 0.00 C ATOM 514 O CYS A 36 -11.125 17.051 -5.853 1.00 0.00 O ATOM 515 CB CYS A 36 -12.558 14.355 -4.851 1.00 0.00 C ATOM 516 SG CYS A 36 -14.123 13.463 -4.579 1.00 0.00 S ATOM 0 H CYS A 36 -12.229 13.237 -7.103 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.323 15.802 -6.243 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.734 13.643 -4.803 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.412 15.067 -4.039 1.00 0.00 H new ATOM 521 N GLU A 37 -10.151 15.262 -6.809 1.00 0.00 N ATOM 522 CA GLU A 37 -8.851 15.907 -6.948 1.00 0.00 C ATOM 523 C GLU A 37 -8.238 16.196 -5.581 1.00 0.00 C ATOM 524 O GLU A 37 -7.537 17.191 -5.402 1.00 0.00 O ATOM 525 CB GLU A 37 -8.983 17.206 -7.745 1.00 0.00 C ATOM 526 CG GLU A 37 -9.604 17.017 -9.119 1.00 0.00 C ATOM 527 CD GLU A 37 -9.856 18.332 -9.831 1.00 0.00 C ATOM 528 OE1 GLU A 37 -9.064 19.276 -9.633 1.00 0.00 O ATOM 529 OE2 GLU A 37 -10.847 18.416 -10.587 1.00 0.00 O ATOM 0 H GLU A 37 -10.187 14.304 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.192 15.225 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.588 17.912 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.996 17.654 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.946 16.398 -9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.545 16.477 -9.017 1.00 0.00 H new ATOM 536 N GLU A 38 -8.510 15.319 -4.620 1.00 0.00 N ATOM 537 CA GLU A 38 -7.987 15.481 -3.268 1.00 0.00 C ATOM 538 C GLU A 38 -7.240 14.228 -2.820 1.00 0.00 C ATOM 539 O GLU A 38 -7.249 13.207 -3.509 1.00 0.00 O ATOM 540 CB GLU A 38 -9.123 15.787 -2.291 1.00 0.00 C ATOM 541 CG GLU A 38 -9.638 17.214 -2.384 1.00 0.00 C ATOM 542 CD GLU A 38 -8.519 18.238 -2.394 1.00 0.00 C ATOM 543 OE1 GLU A 38 -7.682 18.210 -1.468 1.00 0.00 O ATOM 544 OE2 GLU A 38 -8.482 19.067 -3.326 1.00 0.00 O ATOM 0 H GLU A 38 -9.089 14.490 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.288 16.317 -3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.947 15.099 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.777 15.600 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.234 17.323 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.300 17.413 -1.541 1.00 0.00 H new ATOM 551 N TRP A 39 -6.595 14.314 -1.662 1.00 0.00 N ATOM 552 CA TRP A 39 -5.842 13.187 -1.122 1.00 0.00 C ATOM 553 C TRP A 39 -6.703 12.362 -0.173 1.00 0.00 C ATOM 554 O TRP A 39 -7.141 12.851 0.869 1.00 0.00 O ATOM 555 CB TRP A 39 -4.592 13.685 -0.394 1.00 0.00 C ATOM 556 CG TRP A 39 -3.496 14.114 -1.321 1.00 0.00 C ATOM 557 CD1 TRP A 39 -3.008 15.380 -1.483 1.00 0.00 C ATOM 558 CD2 TRP A 39 -2.753 13.278 -2.214 1.00 0.00 C ATOM 559 NE1 TRP A 39 -2.007 15.381 -2.424 1.00 0.00 N ATOM 560 CE2 TRP A 39 -1.830 14.104 -2.887 1.00 0.00 C ATOM 561 CE3 TRP A 39 -2.775 11.913 -2.510 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -0.941 13.607 -3.836 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -1.893 11.421 -3.453 1.00 0.00 C ATOM 564 CH2 TRP A 39 -0.985 12.266 -4.107 1.00 0.00 C ATOM 0 H TRP A 39 -6.578 15.151 -1.079 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.540 12.551 -1.954 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.864 14.523 0.248 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.219 12.893 0.256 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.358 16.252 -0.950 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.481 16.200 -2.729 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.469 11.254 -2.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -0.241 14.257 -4.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.903 10.367 -3.690 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.307 11.851 -4.838 1.00 0.00 H new ATOM 575 N PHE A 40 -6.944 11.107 -0.539 1.00 0.00 N ATOM 576 CA PHE A 40 -7.755 10.214 0.281 1.00 0.00 C ATOM 577 C PHE A 40 -6.922 9.043 0.796 1.00 0.00 C ATOM 578 O PHE A 40 -5.926 8.658 0.183 1.00 0.00 O ATOM 579 CB PHE A 40 -8.947 9.692 -0.523 1.00 0.00 C ATOM 580 CG PHE A 40 -9.900 10.771 -0.952 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.393 11.683 -0.034 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.302 10.872 -2.275 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.269 12.678 -0.426 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.178 11.865 -2.672 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.663 12.768 -1.746 1.00 0.00 C ATOM 0 H PHE A 40 -6.589 10.686 -1.398 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.123 10.780 1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.579 9.171 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.487 8.959 0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.090 11.616 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.927 10.168 -3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.645 13.384 0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.483 11.935 -3.706 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.349 13.543 -2.054 1.00 0.00 H new ATOM 595 N HIS A 41 -7.338 8.482 1.927 1.00 0.00 N ATOM 596 CA HIS A 41 -6.631 7.355 2.526 1.00 0.00 C ATOM 597 C HIS A 41 -7.086 6.037 1.906 1.00 0.00 C ATOM 598 O HIS A 41 -8.269 5.702 1.934 1.00 0.00 O ATOM 599 CB HIS A 41 -6.861 7.327 4.037 1.00 0.00 C ATOM 600 CG HIS A 41 -6.141 8.415 4.773 1.00 0.00 C ATOM 601 ND1 HIS A 41 -6.786 9.348 5.556 1.00 0.00 N ATOM 602 CD2 HIS A 41 -4.823 8.714 4.842 1.00 0.00 C ATOM 603 CE1 HIS A 41 -5.896 10.176 6.074 1.00 0.00 C ATOM 604 NE2 HIS A 41 -4.697 9.812 5.657 1.00 0.00 N ATOM 0 H HIS A 41 -8.160 8.789 2.447 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.566 7.480 2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.930 7.411 4.235 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.540 6.361 4.427 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.020 8.187 4.348 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.112 11.009 6.727 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.820 10.272 5.901 1.00 0.00 H new ATOM 612 N GLY A 42 -6.137 5.294 1.345 1.00 0.00 N ATOM 613 CA GLY A 42 -6.460 4.022 0.725 1.00 0.00 C ATOM 614 C GLY A 42 -7.568 3.287 1.453 1.00 0.00 C ATOM 615 O GLY A 42 -8.647 3.073 0.900 1.00 0.00 O ATOM 0 H GLY A 42 -5.150 5.550 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.759 4.191 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.568 3.396 0.701 1.00 0.00 H new ATOM 619 N ASP A 43 -7.302 2.899 2.695 1.00 0.00 N ATOM 620 CA ASP A 43 -8.285 2.183 3.500 1.00 0.00 C ATOM 621 C ASP A 43 -9.623 2.916 3.502 1.00 0.00 C ATOM 622 O ASP A 43 -10.663 2.334 3.192 1.00 0.00 O ATOM 623 CB ASP A 43 -7.779 2.016 4.933 1.00 0.00 C ATOM 624 CG ASP A 43 -8.811 1.378 5.841 1.00 0.00 C ATOM 625 OD1 ASP A 43 -9.847 2.023 6.108 1.00 0.00 O ATOM 626 OD2 ASP A 43 -8.583 0.233 6.285 1.00 0.00 O ATOM 0 H ASP A 43 -6.414 3.068 3.167 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.431 1.197 3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.877 1.405 4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.501 2.991 5.333 1.00 0.00 H new ATOM 631 N CYS A 44 -9.590 4.197 3.855 1.00 0.00 N ATOM 632 CA CYS A 44 -10.799 5.010 3.900 1.00 0.00 C ATOM 633 C CYS A 44 -11.628 4.822 2.632 1.00 0.00 C ATOM 634 O CYS A 44 -12.807 4.474 2.695 1.00 0.00 O ATOM 635 CB CYS A 44 -10.439 6.487 4.072 1.00 0.00 C ATOM 636 SG CYS A 44 -9.978 6.946 5.774 1.00 0.00 S ATOM 0 H CYS A 44 -8.738 4.694 4.114 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.394 4.686 4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.611 6.728 3.405 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.288 7.096 3.760 1.00 0.00 H new ATOM 641 N VAL A 45 -11.002 5.055 1.483 1.00 0.00 N ATOM 642 CA VAL A 45 -11.681 4.910 0.200 1.00 0.00 C ATOM 643 C VAL A 45 -11.626 3.468 -0.291 1.00 0.00 C ATOM 644 O VAL A 45 -11.787 3.199 -1.480 1.00 0.00 O ATOM 645 CB VAL A 45 -11.062 5.829 -0.869 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.248 7.290 -0.491 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.588 5.503 -1.063 1.00 0.00 C ATOM 0 H VAL A 45 -10.026 5.345 1.414 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.721 5.197 0.358 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.577 5.655 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.804 7.924 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.312 7.512 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.762 7.483 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.166 6.162 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.057 5.647 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.484 4.467 -1.384 1.00 0.00 H new ATOM 657 N GLY A 46 -11.398 2.541 0.635 1.00 0.00 N ATOM 658 CA GLY A 46 -11.326 1.136 0.277 1.00 0.00 C ATOM 659 C GLY A 46 -10.009 0.772 -0.378 1.00 0.00 C ATOM 660 O GLY A 46 -9.383 -0.225 -0.015 1.00 0.00 O ATOM 0 H GLY A 46 -11.262 2.738 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.463 0.529 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.145 0.895 -0.401 1.00 0.00 H new ATOM 664 N ILE A 47 -9.588 1.579 -1.346 1.00 0.00 N ATOM 665 CA ILE A 47 -8.337 1.335 -2.053 1.00 0.00 C ATOM 666 C ILE A 47 -7.278 0.764 -1.116 1.00 0.00 C ATOM 667 O ILE A 47 -7.102 1.244 0.004 1.00 0.00 O ATOM 668 CB ILE A 47 -7.795 2.624 -2.699 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.798 3.172 -3.715 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.452 2.359 -3.362 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.058 2.235 -4.874 1.00 0.00 C ATOM 0 H ILE A 47 -10.095 2.407 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.554 0.609 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.652 3.372 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.740 3.379 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.429 4.122 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.082 3.279 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.740 2.010 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.571 1.598 -4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.779 2.689 -5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.125 2.047 -5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.457 1.293 -4.498 1.00 0.00 H new ATOM 683 N SER A 48 -6.574 -0.262 -1.583 1.00 0.00 N ATOM 684 CA SER A 48 -5.532 -0.900 -0.786 1.00 0.00 C ATOM 685 C SER A 48 -4.150 -0.415 -1.211 1.00 0.00 C ATOM 686 O SER A 48 -3.952 0.008 -2.350 1.00 0.00 O ATOM 687 CB SER A 48 -5.616 -2.421 -0.923 1.00 0.00 C ATOM 688 OG SER A 48 -4.923 -2.868 -2.076 1.00 0.00 O ATOM 0 H SER A 48 -6.706 -0.669 -2.509 1.00 0.00 H new ATOM 0 HA SER A 48 -5.688 -0.627 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.194 -2.893 -0.036 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.661 -2.727 -0.981 1.00 0.00 H new ATOM 0 HG SER A 48 -4.990 -3.844 -2.140 1.00 0.00 H new ATOM 694 N GLU A 49 -3.197 -0.479 -0.286 1.00 0.00 N ATOM 695 CA GLU A 49 -1.833 -0.046 -0.564 1.00 0.00 C ATOM 696 C GLU A 49 -1.352 -0.589 -1.907 1.00 0.00 C ATOM 697 O GLU A 49 -0.823 0.152 -2.735 1.00 0.00 O ATOM 698 CB GLU A 49 -0.890 -0.505 0.550 1.00 0.00 C ATOM 699 CG GLU A 49 0.417 0.267 0.599 1.00 0.00 C ATOM 700 CD GLU A 49 1.569 -0.568 1.125 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.751 -1.702 0.634 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.288 -0.088 2.026 1.00 0.00 O ATOM 0 H GLU A 49 -3.345 -0.826 0.662 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.828 1.043 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.398 -0.404 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.671 -1.564 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.660 0.626 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.292 1.146 1.231 1.00 0.00 H new ATOM 709 N ALA A 50 -1.541 -1.888 -2.115 1.00 0.00 N ATOM 710 CA ALA A 50 -1.129 -2.530 -3.357 1.00 0.00 C ATOM 711 C ALA A 50 -2.011 -2.092 -4.521 1.00 0.00 C ATOM 712 O ALA A 50 -1.513 -1.740 -5.591 1.00 0.00 O ATOM 713 CB ALA A 50 -1.165 -4.044 -3.205 1.00 0.00 C ATOM 0 H ALA A 50 -1.977 -2.516 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.107 -2.221 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.855 -4.511 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.487 -4.346 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.179 -4.361 -2.960 1.00 0.00 H new ATOM 719 N ARG A 51 -3.322 -2.116 -4.306 1.00 0.00 N ATOM 720 CA ARG A 51 -4.273 -1.723 -5.338 1.00 0.00 C ATOM 721 C ARG A 51 -3.782 -0.488 -6.088 1.00 0.00 C ATOM 722 O ARG A 51 -3.547 -0.535 -7.295 1.00 0.00 O ATOM 723 CB ARG A 51 -5.644 -1.445 -4.719 1.00 0.00 C ATOM 724 CG ARG A 51 -6.761 -1.323 -5.743 1.00 0.00 C ATOM 725 CD ARG A 51 -7.453 -2.658 -5.975 1.00 0.00 C ATOM 726 NE ARG A 51 -8.738 -2.498 -6.649 1.00 0.00 N ATOM 727 CZ ARG A 51 -9.491 -3.518 -7.046 1.00 0.00 C ATOM 728 NH1 ARG A 51 -9.089 -4.764 -6.837 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.649 -3.293 -7.653 1.00 0.00 N ATOM 0 H ARG A 51 -3.750 -2.404 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.362 -2.546 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.888 -2.247 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.592 -0.523 -4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.490 -0.588 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.354 -0.954 -6.685 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.808 -3.302 -6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.605 -3.159 -5.019 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.076 -1.552 -6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.200 -4.941 -6.370 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.669 -5.545 -7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.962 -2.336 -7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.226 -4.077 -7.957 1.00 0.00 H new ATOM 743 N GLY A 52 -3.630 0.616 -5.364 1.00 0.00 N ATOM 744 CA GLY A 52 -3.168 1.848 -5.977 1.00 0.00 C ATOM 745 C GLY A 52 -1.781 1.714 -6.573 1.00 0.00 C ATOM 746 O GLY A 52 -1.552 2.093 -7.722 1.00 0.00 O ATOM 0 H GLY A 52 -3.818 0.680 -4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.868 2.147 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.164 2.642 -5.231 1.00 0.00 H new ATOM 750 N ARG A 53 -0.852 1.175 -5.790 1.00 0.00 N ATOM 751 CA ARG A 53 0.521 0.996 -6.247 1.00 0.00 C ATOM 752 C ARG A 53 0.555 0.521 -7.696 1.00 0.00 C ATOM 753 O ARG A 53 1.294 1.060 -8.521 1.00 0.00 O ATOM 754 CB ARG A 53 1.251 -0.008 -5.353 1.00 0.00 C ATOM 755 CG ARG A 53 1.827 0.608 -4.088 1.00 0.00 C ATOM 756 CD ARG A 53 3.144 1.316 -4.363 1.00 0.00 C ATOM 757 NE ARG A 53 3.902 1.557 -3.138 1.00 0.00 N ATOM 758 CZ ARG A 53 4.687 0.650 -2.569 1.00 0.00 C ATOM 759 NH1 ARG A 53 4.817 -0.553 -3.111 1.00 0.00 N ATOM 760 NH2 ARG A 53 5.344 0.945 -1.454 1.00 0.00 N ATOM 0 H ARG A 53 -1.025 0.855 -4.837 1.00 0.00 H new ATOM 0 HA ARG A 53 1.026 1.960 -6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.560 -0.805 -5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.058 -0.469 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.112 1.316 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.980 -0.170 -3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.743 0.715 -5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.948 2.266 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 53 3.824 2.473 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.313 -0.784 -3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.421 -1.248 -2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.246 1.869 -1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.947 0.248 -1.018 1.00 0.00 H new ATOM 774 N LEU A 54 -0.249 -0.492 -8.000 1.00 0.00 N ATOM 775 CA LEU A 54 -0.312 -1.041 -9.350 1.00 0.00 C ATOM 776 C LEU A 54 -1.078 -0.108 -10.282 1.00 0.00 C ATOM 777 O LEU A 54 -0.600 0.237 -11.364 1.00 0.00 O ATOM 778 CB LEU A 54 -0.976 -2.419 -9.332 1.00 0.00 C ATOM 779 CG LEU A 54 -0.095 -3.582 -8.872 1.00 0.00 C ATOM 780 CD1 LEU A 54 -0.839 -4.901 -9.010 1.00 0.00 C ATOM 781 CD2 LEU A 54 1.203 -3.614 -9.665 1.00 0.00 C ATOM 0 H LEU A 54 -0.866 -0.950 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 54 0.708 -1.141 -9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.849 -2.371 -8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.338 -2.639 -10.336 1.00 0.00 H new ATOM 0 HG LEU A 54 0.149 -3.434 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.197 -5.717 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.740 -4.876 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.114 -5.056 -10.053 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.817 -4.448 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.979 -3.738 -10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.744 -2.680 -9.515 1.00 0.00 H new ATOM 793 N LEU A 55 -2.268 0.301 -9.855 1.00 0.00 N ATOM 794 CA LEU A 55 -3.100 1.197 -10.651 1.00 0.00 C ATOM 795 C LEU A 55 -2.252 2.265 -11.333 1.00 0.00 C ATOM 796 O LEU A 55 -2.636 2.807 -12.369 1.00 0.00 O ATOM 797 CB LEU A 55 -4.161 1.857 -9.768 1.00 0.00 C ATOM 798 CG LEU A 55 -5.322 0.964 -9.331 1.00 0.00 C ATOM 799 CD1 LEU A 55 -6.160 1.659 -8.270 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.182 0.584 -10.528 1.00 0.00 C ATOM 0 H LEU A 55 -2.678 0.027 -8.962 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.594 0.606 -11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.671 2.245 -8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.570 2.713 -10.305 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.911 0.051 -8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.982 1.008 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.538 1.880 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.562 2.588 -8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.004 -0.052 -10.198 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.584 1.487 -10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.575 0.045 -11.255 1.00 0.00 H new ATOM 812 N GLU A 56 -1.097 2.562 -10.745 1.00 0.00 N ATOM 813 CA GLU A 56 -0.195 3.565 -11.297 1.00 0.00 C ATOM 814 C GLU A 56 0.516 3.032 -12.538 1.00 0.00 C ATOM 815 O GLU A 56 0.340 3.553 -13.639 1.00 0.00 O ATOM 816 CB GLU A 56 0.835 3.990 -10.248 1.00 0.00 C ATOM 817 CG GLU A 56 1.578 5.266 -10.607 1.00 0.00 C ATOM 818 CD GLU A 56 2.714 5.568 -9.649 1.00 0.00 C ATOM 819 OE1 GLU A 56 3.528 4.657 -9.387 1.00 0.00 O ATOM 820 OE2 GLU A 56 2.790 6.715 -9.163 1.00 0.00 O ATOM 0 H GLU A 56 -0.765 2.122 -9.887 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.789 4.433 -11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.331 4.130 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.557 3.185 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.974 5.179 -11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.878 6.101 -10.610 1.00 0.00 H new ATOM 827 N ARG A 57 1.322 1.992 -12.350 1.00 0.00 N ATOM 828 CA ARG A 57 2.062 1.389 -13.452 1.00 0.00 C ATOM 829 C ARG A 57 1.111 0.893 -14.538 1.00 0.00 C ATOM 830 O ARG A 57 1.457 0.874 -15.718 1.00 0.00 O ATOM 831 CB ARG A 57 2.922 0.231 -12.944 1.00 0.00 C ATOM 832 CG ARG A 57 2.125 -1.021 -12.615 1.00 0.00 C ATOM 833 CD ARG A 57 2.016 -1.944 -13.818 1.00 0.00 C ATOM 834 NE ARG A 57 3.259 -2.670 -14.066 1.00 0.00 N ATOM 835 CZ ARG A 57 3.589 -3.180 -15.247 1.00 0.00 C ATOM 836 NH1 ARG A 57 2.773 -3.045 -16.283 1.00 0.00 N ATOM 837 NH2 ARG A 57 4.738 -3.828 -15.393 1.00 0.00 N ATOM 0 H ARG A 57 1.479 1.549 -11.445 1.00 0.00 H new ATOM 0 HA ARG A 57 2.711 2.152 -13.882 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.670 -0.013 -13.698 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.461 0.553 -12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.602 -1.551 -11.790 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.127 -0.740 -12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.207 -2.656 -13.656 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.755 -1.360 -14.701 1.00 0.00 H new ATOM 0 HE ARG A 57 3.909 -2.792 -13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.889 -2.548 -16.174 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.029 -3.438 -17.189 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.368 -3.935 -14.598 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.991 -4.220 -16.300 1.00 0.00 H new ATOM 851 N ASN A 58 -0.088 0.492 -14.129 1.00 0.00 N ATOM 852 CA ASN A 58 -1.089 -0.005 -15.067 1.00 0.00 C ATOM 853 C ASN A 58 -1.610 1.122 -15.954 1.00 0.00 C ATOM 854 O ASN A 58 -1.729 0.965 -17.168 1.00 0.00 O ATOM 855 CB ASN A 58 -2.250 -0.653 -14.310 1.00 0.00 C ATOM 856 CG ASN A 58 -1.780 -1.687 -13.305 1.00 0.00 C ATOM 857 OD1 ASN A 58 -2.062 -1.582 -12.112 1.00 0.00 O ATOM 858 ND2 ASN A 58 -1.059 -2.693 -13.786 1.00 0.00 N ATOM 0 H ASN A 58 -0.390 0.501 -13.155 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.616 -0.754 -15.702 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.819 0.120 -13.793 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.927 -1.124 -15.023 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.715 -3.420 -13.158 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.849 -2.739 -14.783 1.00 0.00 H new ATOM 865 N GLY A 59 -1.920 2.258 -15.337 1.00 0.00 N ATOM 866 CA GLY A 59 -2.425 3.395 -16.085 1.00 0.00 C ATOM 867 C GLY A 59 -3.935 3.509 -16.018 1.00 0.00 C ATOM 868 O GLY A 59 -4.570 3.983 -16.959 1.00 0.00 O ATOM 0 H GLY A 59 -1.831 2.411 -14.333 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.977 4.310 -15.696 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.116 3.307 -17.127 1.00 0.00 H new ATOM 872 N GLU A 60 -4.510 3.073 -14.901 1.00 0.00 N ATOM 873 CA GLU A 60 -5.956 3.127 -14.717 1.00 0.00 C ATOM 874 C GLU A 60 -6.348 4.311 -13.838 1.00 0.00 C ATOM 875 O GLU A 60 -5.673 4.620 -12.856 1.00 0.00 O ATOM 876 CB GLU A 60 -6.461 1.825 -14.092 1.00 0.00 C ATOM 877 CG GLU A 60 -6.761 0.737 -15.110 1.00 0.00 C ATOM 878 CD GLU A 60 -7.676 1.214 -16.220 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.171 1.821 -17.187 1.00 0.00 O ATOM 880 OE2 GLU A 60 -8.899 0.978 -16.122 1.00 0.00 O ATOM 0 H GLU A 60 -3.998 2.679 -14.112 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.417 3.255 -15.696 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.715 1.456 -13.388 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.364 2.034 -13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.826 0.381 -15.543 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.221 -0.112 -14.604 1.00 0.00 H new ATOM 887 N ASP A 61 -7.443 4.971 -14.199 1.00 0.00 N ATOM 888 CA ASP A 61 -7.927 6.121 -13.445 1.00 0.00 C ATOM 889 C ASP A 61 -8.647 5.675 -12.176 1.00 0.00 C ATOM 890 O ASP A 61 -9.573 4.866 -12.228 1.00 0.00 O ATOM 891 CB ASP A 61 -8.865 6.966 -14.308 1.00 0.00 C ATOM 892 CG ASP A 61 -8.293 7.242 -15.685 1.00 0.00 C ATOM 893 OD1 ASP A 61 -7.426 8.133 -15.799 1.00 0.00 O ATOM 894 OD2 ASP A 61 -8.714 6.567 -16.648 1.00 0.00 O ATOM 0 H ASP A 61 -8.012 4.729 -15.010 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.066 6.725 -13.159 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.821 6.452 -14.411 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.064 7.912 -13.804 1.00 0.00 H new ATOM 899 N TYR A 62 -8.214 6.207 -11.038 1.00 0.00 N ATOM 900 CA TYR A 62 -8.815 5.861 -9.756 1.00 0.00 C ATOM 901 C TYR A 62 -9.971 6.799 -9.425 1.00 0.00 C ATOM 902 O TYR A 62 -9.844 8.020 -9.528 1.00 0.00 O ATOM 903 CB TYR A 62 -7.764 5.917 -8.645 1.00 0.00 C ATOM 904 CG TYR A 62 -8.322 6.341 -7.305 1.00 0.00 C ATOM 905 CD1 TYR A 62 -9.009 5.441 -6.500 1.00 0.00 C ATOM 906 CD2 TYR A 62 -8.163 7.643 -6.845 1.00 0.00 C ATOM 907 CE1 TYR A 62 -9.521 5.824 -5.275 1.00 0.00 C ATOM 908 CE2 TYR A 62 -8.670 8.034 -5.621 1.00 0.00 C ATOM 909 CZ TYR A 62 -9.348 7.122 -4.840 1.00 0.00 C ATOM 910 OH TYR A 62 -9.856 7.508 -3.621 1.00 0.00 O ATOM 0 H TYR A 62 -7.449 6.879 -10.978 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.205 4.846 -9.828 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -7.303 4.935 -8.543 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.975 6.611 -8.937 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.145 4.424 -6.838 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.634 8.361 -7.455 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.053 5.112 -4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.536 9.049 -5.277 1.00 0.00 H new ATOM 0 HH TYR A 62 -10.524 6.855 -3.323 1.00 0.00 H new ATOM 920 N ILE A 63 -11.099 6.220 -9.027 1.00 0.00 N ATOM 921 CA ILE A 63 -12.278 7.003 -8.679 1.00 0.00 C ATOM 922 C ILE A 63 -12.792 6.636 -7.291 1.00 0.00 C ATOM 923 O ILE A 63 -13.439 5.604 -7.110 1.00 0.00 O ATOM 924 CB ILE A 63 -13.410 6.802 -9.704 1.00 0.00 C ATOM 925 CG1 ILE A 63 -12.977 7.311 -11.080 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.674 7.513 -9.243 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.793 8.811 -11.140 1.00 0.00 C ATOM 0 H ILE A 63 -11.221 5.211 -8.938 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.975 8.050 -8.686 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.625 5.736 -9.783 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.041 6.827 -11.359 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.722 7.015 -11.819 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.465 7.362 -9.978 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.989 7.108 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.474 8.580 -9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.486 9.100 -12.145 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.734 9.303 -10.892 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.027 9.112 -10.426 1.00 0.00 H new ATOM 939 N CYS A 64 -12.503 7.489 -6.314 1.00 0.00 N ATOM 940 CA CYS A 64 -12.937 7.256 -4.942 1.00 0.00 C ATOM 941 C CYS A 64 -14.401 6.827 -4.900 1.00 0.00 C ATOM 942 O CYS A 64 -15.171 7.065 -5.831 1.00 0.00 O ATOM 943 CB CYS A 64 -12.740 8.519 -4.101 1.00 0.00 C ATOM 944 SG CYS A 64 -14.225 9.566 -3.974 1.00 0.00 S ATOM 0 H CYS A 64 -11.970 8.348 -6.447 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.329 6.452 -4.527 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.426 8.230 -3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.930 9.107 -4.532 1.00 0.00 H new ATOM 949 N PRO A 65 -14.795 6.178 -3.794 1.00 0.00 N ATOM 950 CA PRO A 65 -16.169 5.702 -3.603 1.00 0.00 C ATOM 951 C PRO A 65 -17.156 6.847 -3.402 1.00 0.00 C ATOM 952 O PRO A 65 -18.182 6.919 -4.077 1.00 0.00 O ATOM 953 CB PRO A 65 -16.075 4.849 -2.336 1.00 0.00 C ATOM 954 CG PRO A 65 -14.904 5.396 -1.596 1.00 0.00 C ATOM 955 CD PRO A 65 -13.931 5.860 -2.645 1.00 0.00 C ATOM 0 HA PRO A 65 -16.537 5.159 -4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.987 4.920 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.933 3.796 -2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.202 6.220 -0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.456 4.635 -0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.367 6.732 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.205 5.085 -2.890 1.00 0.00 H new ATOM 963 N ASN A 66 -16.838 7.741 -2.471 1.00 0.00 N ATOM 964 CA ASN A 66 -17.698 8.882 -2.182 1.00 0.00 C ATOM 965 C ASN A 66 -18.261 9.479 -3.468 1.00 0.00 C ATOM 966 O ASN A 66 -19.373 10.008 -3.486 1.00 0.00 O ATOM 967 CB ASN A 66 -16.921 9.950 -1.409 1.00 0.00 C ATOM 968 CG ASN A 66 -17.824 10.816 -0.553 1.00 0.00 C ATOM 969 OD1 ASN A 66 -18.405 11.790 -1.032 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.945 10.465 0.722 1.00 0.00 N ATOM 0 H ASN A 66 -15.991 7.697 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.530 8.532 -1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.178 9.467 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.378 10.581 -2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.538 11.011 1.347 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.445 9.650 1.076 1.00 0.00 H new ATOM 977 N CYS A 67 -17.487 9.389 -4.544 1.00 0.00 N ATOM 978 CA CYS A 67 -17.907 9.918 -5.836 1.00 0.00 C ATOM 979 C CYS A 67 -18.977 9.031 -6.466 1.00 0.00 C ATOM 980 O CYS A 67 -20.130 9.438 -6.611 1.00 0.00 O ATOM 981 CB CYS A 67 -16.707 10.035 -6.778 1.00 0.00 C ATOM 982 SG CYS A 67 -15.746 11.569 -6.572 1.00 0.00 S ATOM 0 H CYS A 67 -16.564 8.954 -4.547 1.00 0.00 H new ATOM 0 HA CYS A 67 -18.331 10.909 -5.673 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -16.048 9.182 -6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -17.060 9.976 -7.808 1.00 0.00 H new ATOM 987 N THR A 68 -18.587 7.816 -6.838 1.00 0.00 N ATOM 988 CA THR A 68 -19.511 6.871 -7.452 1.00 0.00 C ATOM 989 C THR A 68 -20.737 6.651 -6.573 1.00 0.00 C ATOM 990 O THR A 68 -21.873 6.761 -7.037 1.00 0.00 O ATOM 991 CB THR A 68 -18.833 5.514 -7.717 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.569 5.715 -8.358 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.714 4.630 -8.588 1.00 0.00 C ATOM 0 H THR A 68 -17.637 7.463 -6.725 1.00 0.00 H new ATOM 0 HA THR A 68 -19.822 7.305 -8.402 1.00 0.00 H new ATOM 0 HB THR A 68 -18.679 5.016 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.144 4.847 -8.521 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.214 3.677 -8.762 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.665 4.455 -8.084 1.00 0.00 H new ATOM 0 HG23 THR A 68 -19.895 5.124 -9.543 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.501 6.341 -5.303 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.587 6.107 -4.360 1.00 0.00 C ATOM 1003 C ILE A 69 -22.748 7.064 -4.609 1.00 0.00 C ATOM 1004 O ILE A 69 -23.915 6.681 -4.516 1.00 0.00 O ATOM 1005 CB ILE A 69 -21.112 6.264 -2.903 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.082 5.185 -2.562 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.295 6.195 -1.950 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.425 5.382 -1.213 1.00 0.00 C ATOM 0 H ILE A 69 -19.567 6.246 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.924 5.082 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.639 7.240 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.569 4.210 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.312 5.172 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.943 6.307 -0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.997 6.996 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.794 5.232 -2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.707 4.581 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.909 6.342 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.185 5.365 -0.432 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.420 8.311 -4.929 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.435 9.325 -5.195 1.00 0.00 C ATOM 1022 C LEU A 70 -24.057 9.125 -6.573 1.00 0.00 C ATOM 1023 O LEU A 70 -25.279 9.077 -6.713 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.825 10.724 -5.096 1.00 0.00 C ATOM 1025 CG LEU A 70 -22.343 11.150 -3.709 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -21.499 12.412 -3.802 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -23.526 11.365 -2.776 1.00 0.00 C ATOM 0 H LEU A 70 -21.459 8.644 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 70 -24.219 9.224 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.982 10.780 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.566 11.446 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.723 10.352 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -21.165 12.700 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -20.632 12.224 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -22.095 13.217 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -23.164 11.668 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -24.172 12.144 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -24.091 10.437 -2.685 1.00 0.00 H new ATOM 1039 N SER A 71 -23.207 9.006 -7.588 1.00 0.00 N ATOM 1040 CA SER A 71 -23.673 8.812 -8.956 1.00 0.00 C ATOM 1041 C SER A 71 -23.020 7.584 -9.584 1.00 0.00 C ATOM 1042 O SER A 71 -22.056 7.699 -10.341 1.00 0.00 O ATOM 1043 CB SER A 71 -23.372 10.052 -9.801 1.00 0.00 C ATOM 1044 OG SER A 71 -23.677 9.825 -11.166 1.00 0.00 O ATOM 0 H SER A 71 -22.192 9.041 -7.489 1.00 0.00 H new ATOM 0 HA SER A 71 -24.751 8.654 -8.927 1.00 0.00 H new ATOM 0 HB2 SER A 71 -23.952 10.898 -9.431 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.320 10.318 -9.700 1.00 0.00 H new ATOM 0 HG SER A 71 -23.477 10.632 -11.684 1.00 0.00 H new ATOM 1050 N GLY A 72 -23.552 6.409 -9.263 1.00 0.00 N ATOM 1051 CA GLY A 72 -23.008 5.176 -9.804 1.00 0.00 C ATOM 1052 C GLY A 72 -23.575 4.842 -11.169 1.00 0.00 C ATOM 1053 O GLY A 72 -24.618 5.356 -11.575 1.00 0.00 O ATOM 0 H GLY A 72 -24.349 6.288 -8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -21.924 5.261 -9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -23.219 4.357 -9.116 1.00 0.00 H new ATOM 1057 N PRO A 73 -22.878 3.963 -11.905 1.00 0.00 N ATOM 1058 CA PRO A 73 -23.298 3.543 -13.245 1.00 0.00 C ATOM 1059 C PRO A 73 -24.550 2.673 -13.213 1.00 0.00 C ATOM 1060 O PRO A 73 -24.892 2.099 -12.179 1.00 0.00 O ATOM 1061 CB PRO A 73 -22.100 2.738 -13.756 1.00 0.00 C ATOM 1062 CG PRO A 73 -21.422 2.245 -12.525 1.00 0.00 C ATOM 1063 CD PRO A 73 -21.626 3.312 -11.484 1.00 0.00 C ATOM 0 HA PRO A 73 -23.558 4.393 -13.876 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -22.420 1.911 -14.390 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -21.432 3.358 -14.354 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -21.847 1.296 -12.199 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.361 2.074 -12.706 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.710 2.887 -10.484 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.794 4.016 -11.462 1.00 0.00 H new ATOM 1071 N SER A 74 -25.229 2.580 -14.352 1.00 0.00 N ATOM 1072 CA SER A 74 -26.445 1.782 -14.453 1.00 0.00 C ATOM 1073 C SER A 74 -26.212 0.541 -15.310 1.00 0.00 C ATOM 1074 O SER A 74 -25.186 0.420 -15.980 1.00 0.00 O ATOM 1075 CB SER A 74 -27.581 2.618 -15.046 1.00 0.00 C ATOM 1076 OG SER A 74 -27.190 3.215 -16.270 1.00 0.00 O ATOM 0 H SER A 74 -24.958 3.047 -15.217 1.00 0.00 H new ATOM 0 HA SER A 74 -26.724 1.462 -13.449 1.00 0.00 H new ATOM 0 HB2 SER A 74 -28.455 1.987 -15.208 1.00 0.00 H new ATOM 0 HB3 SER A 74 -27.875 3.393 -14.338 1.00 0.00 H new ATOM 0 HG SER A 74 -27.934 3.742 -16.629 1.00 0.00 H new ATOM 1082 N SER A 75 -27.171 -0.378 -15.283 1.00 0.00 N ATOM 1083 CA SER A 75 -27.069 -1.612 -16.053 1.00 0.00 C ATOM 1084 C SER A 75 -27.388 -1.362 -17.524 1.00 0.00 C ATOM 1085 O SER A 75 -28.412 -0.767 -17.856 1.00 0.00 O ATOM 1086 CB SER A 75 -28.016 -2.672 -15.487 1.00 0.00 C ATOM 1087 OG SER A 75 -29.370 -2.281 -15.642 1.00 0.00 O ATOM 0 H SER A 75 -28.028 -0.292 -14.736 1.00 0.00 H new ATOM 0 HA SER A 75 -26.044 -1.974 -15.978 1.00 0.00 H new ATOM 0 HB2 SER A 75 -27.848 -3.622 -15.994 1.00 0.00 H new ATOM 0 HB3 SER A 75 -27.799 -2.832 -14.431 1.00 0.00 H new ATOM 0 HG SER A 75 -29.955 -2.976 -15.274 1.00 0.00 H new ATOM 1093 N GLY A 76 -26.502 -1.822 -18.402 1.00 0.00 N ATOM 1094 CA GLY A 76 -26.706 -1.639 -19.827 1.00 0.00 C ATOM 1095 C GLY A 76 -25.814 -0.559 -20.407 1.00 0.00 C ATOM 1096 O GLY A 76 -24.618 -0.554 -20.121 1.00 0.00 O ATOM 0 H GLY A 76 -25.647 -2.318 -18.152 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -26.514 -2.580 -20.342 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -27.749 -1.382 -20.011 1.00 0.00 H new TER 1100 GLY A 76 HETATM 1101 ZN ZN A 201 -9.135 9.117 5.810 1.00 0.00 ZN HETATM 1102 ZN ZN A 401 -13.737 11.328 -5.412 1.00 0.00 ZN