USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 639 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: B 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 7 SER OG : rot 129:sc= 0.476 USER MOD Set 2.1: A 70 LYS NZ :NH3+ 161:sc= -1.14 (180deg=-1.3!) USER MOD Set 2.2: A 71 GLN : amide:sc= -0.802 K(o=-1.9,f=0.12) USER MOD Set 3.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 4 TYR OH : rot 110:sc= -2.02! USER MOD Set 4.1: A 5 THR OG1 : rot -33:sc= 1.68 USER MOD Set 4.2: A 8 THR OG1 : rot 48:sc= -1.81! USER MOD Set 4.3: A 9 SER OG : rot 180:sc= 0.0948 USER MOD Single : A 1 ILE N :NH3+ 155:sc= -0.975 (180deg=-1.85!) USER MOD Single : A 4 HIS : no HD1:sc= -13.8! C(o=-14!,f=-14!) USER MOD Single : A 6 THR OG1 : rot -72:sc= -2.72! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 102:sc= 0.0672 USER MOD Single : A 21 ASN : amide:sc= -4.88! K(o=-4.9!,f=-2.2) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.369) USER MOD Single : A 27 MET CE :methyl 143:sc= -0.359 (180deg=-1.93!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0.245 (180deg=0.145) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.809 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -142:sc= -0.0888 (180deg=-0.893) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 62 THR OG1 : rot 101:sc= 0.0887 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -7.57! C(o=-7.6!,f=-8.2!) USER MOD Single : A 68 HIS : no HE2:sc= -19.1! C(o=-19!,f=-21!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 166:sc= 0.271 (180deg=-0.195!) USER MOD Single : B 3 TYR OH : rot 30:sc= -2.41! USER MOD Single : B 9 LYS NZ :NH3+ 161:sc= -2.58 (180deg=-3.01!) USER MOD Single : B 10 SER OG : rot -48:sc= 0.535 USER MOD Single : B 11 TYR OH : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 8.429 14.541 -1.575 1.00 0.00 N ATOM 2 CA ILE A 1 7.025 14.605 -2.075 1.00 0.00 C ATOM 3 C ILE A 1 6.083 13.885 -1.106 1.00 0.00 C ATOM 4 O ILE A 1 6.479 13.460 -0.039 1.00 0.00 O ATOM 5 CB ILE A 1 7.053 13.892 -3.427 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.857 12.596 -3.304 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.712 14.799 -4.467 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.655 11.749 -4.561 1.00 0.00 C ATOM 0 H1 ILE A 1 9.087 14.631 -2.375 1.00 0.00 H new ATOM 0 H2 ILE A 1 8.594 15.317 -0.902 1.00 0.00 H new ATOM 0 H3 ILE A 1 8.587 13.630 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 1 6.665 15.630 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 1 6.034 13.661 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.915 12.823 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.538 12.040 -2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.733 14.292 -5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.143 15.724 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.731 15.029 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.228 10.826 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.597 11.511 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 1 7.996 12.306 -5.434 1.00 0.00 H new ATOM 22 N VAL A 2 4.838 13.746 -1.470 1.00 0.00 N ATOM 23 CA VAL A 2 3.871 13.054 -0.569 1.00 0.00 C ATOM 24 C VAL A 2 3.560 11.659 -1.102 1.00 0.00 C ATOM 25 O VAL A 2 3.711 11.381 -2.275 1.00 0.00 O ATOM 26 CB VAL A 2 2.610 13.911 -0.602 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.697 13.533 0.563 1.00 0.00 C ATOM 28 CG2 VAL A 2 2.991 15.387 -0.491 1.00 0.00 C ATOM 0 H VAL A 2 4.448 14.081 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 2 4.267 12.939 0.440 1.00 0.00 H new ATOM 0 HB VAL A 2 2.085 13.740 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.798 14.148 0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.420 12.482 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.221 13.699 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.089 15.998 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.520 15.557 0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.636 15.660 -1.326 1.00 0.00 H new ATOM 38 N CYS A 3 3.127 10.779 -0.248 1.00 0.00 N ATOM 39 CA CYS A 3 2.807 9.401 -0.701 1.00 0.00 C ATOM 40 C CYS A 3 1.545 8.892 -0.010 1.00 0.00 C ATOM 41 O CYS A 3 1.209 9.325 1.072 1.00 0.00 O ATOM 42 CB CYS A 3 3.999 8.558 -0.279 1.00 0.00 C ATOM 43 SG CYS A 3 5.542 9.450 -0.598 1.00 0.00 S ATOM 0 H CYS A 3 2.981 10.955 0.746 1.00 0.00 H new ATOM 0 HA CYS A 3 2.628 9.360 -1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.924 8.314 0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.997 7.614 -0.824 1.00 0.00 H new ATOM 48 N HIS A 4 0.864 7.950 -0.607 1.00 0.00 N ATOM 49 CA HIS A 4 -0.364 7.402 0.040 1.00 0.00 C ATOM 50 C HIS A 4 0.004 6.207 0.895 1.00 0.00 C ATOM 51 O HIS A 4 0.923 5.475 0.585 1.00 0.00 O ATOM 52 CB HIS A 4 -1.276 6.950 -1.077 1.00 0.00 C ATOM 53 CG HIS A 4 -1.441 8.039 -2.105 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.934 9.291 -1.778 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.210 8.071 -3.457 1.00 0.00 C ATOM 56 CE1 HIS A 4 -1.985 10.016 -2.911 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.554 9.320 -3.964 1.00 0.00 N ATOM 0 H HIS A 4 1.103 7.538 -1.509 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.844 8.150 0.671 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.866 6.057 -1.549 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.250 6.677 -0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.820 7.250 -4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.333 11.037 -2.961 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.490 9.635 -4.932 1.00 0.00 H new ATOM 65 N THR A 5 -0.699 5.980 1.961 1.00 0.00 N ATOM 66 CA THR A 5 -0.356 4.810 2.791 1.00 0.00 C ATOM 67 C THR A 5 -1.551 3.890 2.940 1.00 0.00 C ATOM 68 O THR A 5 -2.508 4.165 3.636 1.00 0.00 O ATOM 69 CB THR A 5 0.079 5.324 4.153 1.00 0.00 C ATOM 70 OG1 THR A 5 -0.996 5.201 5.068 1.00 0.00 O ATOM 71 CG2 THR A 5 0.544 6.783 4.078 1.00 0.00 C ATOM 0 H THR A 5 -1.483 6.545 2.287 1.00 0.00 H new ATOM 0 HA THR A 5 0.444 4.239 2.320 1.00 0.00 H new ATOM 0 HB THR A 5 0.923 4.725 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.844 5.333 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.848 7.119 5.069 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.389 6.861 3.393 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.274 7.407 3.718 1.00 0.00 H new ATOM 79 N THR A 6 -1.461 2.783 2.311 1.00 0.00 N ATOM 80 CA THR A 6 -2.532 1.764 2.413 1.00 0.00 C ATOM 81 C THR A 6 -2.167 0.810 3.549 1.00 0.00 C ATOM 82 O THR A 6 -2.977 0.044 4.026 1.00 0.00 O ATOM 83 CB THR A 6 -2.521 1.025 1.071 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.325 1.326 0.370 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.719 1.459 0.230 1.00 0.00 C ATOM 0 H THR A 6 -0.677 2.522 1.713 1.00 0.00 H new ATOM 0 HA THR A 6 -3.515 2.189 2.617 1.00 0.00 H new ATOM 0 HB THR A 6 -2.577 -0.048 1.256 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.362 2.248 0.041 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.705 0.930 -0.723 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.641 1.225 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.667 2.533 0.050 1.00 0.00 H new ATOM 93 N ALA A 7 -0.924 0.836 3.956 1.00 0.00 N ATOM 94 CA ALA A 7 -0.462 -0.081 5.030 1.00 0.00 C ATOM 95 C ALA A 7 -0.547 0.553 6.424 1.00 0.00 C ATOM 96 O ALA A 7 -0.712 -0.137 7.410 1.00 0.00 O ATOM 97 CB ALA A 7 0.984 -0.399 4.656 1.00 0.00 C ATOM 0 H ALA A 7 -0.207 1.459 3.585 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.090 -0.970 5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.411 -1.075 5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.010 -0.873 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.564 0.523 4.629 1.00 0.00 H new ATOM 103 N THR A 8 -0.431 1.845 6.528 1.00 0.00 N ATOM 104 CA THR A 8 -0.502 2.479 7.879 1.00 0.00 C ATOM 105 C THR A 8 -1.908 3.025 8.119 1.00 0.00 C ATOM 106 O THR A 8 -2.782 2.324 8.588 1.00 0.00 O ATOM 107 CB THR A 8 0.526 3.613 7.847 1.00 0.00 C ATOM 108 OG1 THR A 8 0.680 4.075 6.512 1.00 0.00 O ATOM 109 CG2 THR A 8 1.869 3.102 8.374 1.00 0.00 C ATOM 0 H THR A 8 -0.291 2.487 5.748 1.00 0.00 H new ATOM 0 HA THR A 8 -0.291 1.774 8.683 1.00 0.00 H new ATOM 0 HB THR A 8 0.182 4.434 8.476 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.203 4.223 6.113 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.600 3.910 8.351 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.748 2.751 9.399 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.217 2.280 7.748 1.00 0.00 H new ATOM 117 N SER A 9 -2.144 4.259 7.785 1.00 0.00 N ATOM 118 CA SER A 9 -3.506 4.825 7.978 1.00 0.00 C ATOM 119 C SER A 9 -4.453 4.144 6.981 1.00 0.00 C ATOM 120 O SER A 9 -4.131 3.088 6.474 1.00 0.00 O ATOM 121 CB SER A 9 -3.342 6.315 7.681 1.00 0.00 C ATOM 122 OG SER A 9 -2.022 6.721 8.021 1.00 0.00 O ATOM 0 H SER A 9 -1.457 4.899 7.388 1.00 0.00 H new ATOM 0 HA SER A 9 -3.921 4.671 8.974 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.534 6.510 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.070 6.893 8.250 1.00 0.00 H new ATOM 0 HG SER A 9 -1.914 7.676 7.830 1.00 0.00 H new ATOM 128 N PRO A 10 -5.585 4.745 6.712 1.00 0.00 N ATOM 129 CA PRO A 10 -6.524 4.128 5.751 1.00 0.00 C ATOM 130 C PRO A 10 -5.985 4.304 4.338 1.00 0.00 C ATOM 131 O PRO A 10 -5.645 3.358 3.657 1.00 0.00 O ATOM 132 CB PRO A 10 -7.819 4.905 5.956 1.00 0.00 C ATOM 133 CG PRO A 10 -7.410 6.223 6.532 1.00 0.00 C ATOM 134 CD PRO A 10 -6.093 6.021 7.242 1.00 0.00 C ATOM 0 HA PRO A 10 -6.667 3.058 5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.350 5.037 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.492 4.375 6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.310 6.971 5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.167 6.589 7.226 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.402 6.839 7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.227 5.978 8.323 1.00 0.00 H new ATOM 142 N ILE A 11 -5.890 5.520 3.914 1.00 0.00 N ATOM 143 CA ILE A 11 -5.364 5.818 2.573 1.00 0.00 C ATOM 144 C ILE A 11 -5.409 7.318 2.344 1.00 0.00 C ATOM 145 O ILE A 11 -6.455 7.932 2.279 1.00 0.00 O ATOM 146 CB ILE A 11 -6.257 5.037 1.621 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.377 3.963 0.974 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.871 5.957 0.546 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.854 3.646 -0.445 1.00 0.00 C ATOM 0 H ILE A 11 -6.163 6.340 4.456 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.323 5.527 2.429 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.092 4.590 2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.342 4.304 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.398 3.057 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.504 5.368 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.470 6.730 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.073 6.424 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.213 2.881 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.881 3.283 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.809 4.549 -1.054 1.00 0.00 H new ATOM 161 N SER A 12 -4.268 7.897 2.236 1.00 0.00 N ATOM 162 CA SER A 12 -4.183 9.359 2.024 1.00 0.00 C ATOM 163 C SER A 12 -2.742 9.709 1.708 1.00 0.00 C ATOM 164 O SER A 12 -1.828 9.031 2.144 1.00 0.00 O ATOM 165 CB SER A 12 -4.619 9.983 3.349 1.00 0.00 C ATOM 166 OG SER A 12 -3.566 9.859 4.296 1.00 0.00 O ATOM 0 H SER A 12 -3.369 7.417 2.286 1.00 0.00 H new ATOM 0 HA SER A 12 -4.805 9.716 1.203 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.871 11.033 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.517 9.488 3.719 1.00 0.00 H new ATOM 0 HG SER A 12 -3.842 10.260 5.147 1.00 0.00 H new ATOM 172 N ALA A 13 -2.523 10.742 0.949 1.00 0.00 N ATOM 173 CA ALA A 13 -1.128 11.102 0.607 1.00 0.00 C ATOM 174 C ALA A 13 -0.587 12.152 1.556 1.00 0.00 C ATOM 175 O ALA A 13 -0.975 13.303 1.514 1.00 0.00 O ATOM 176 CB ALA A 13 -1.173 11.676 -0.796 1.00 0.00 C ATOM 0 H ALA A 13 -3.244 11.346 0.555 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.480 10.229 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.167 11.961 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.565 10.926 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.819 12.554 -0.810 1.00 0.00 H new ATOM 182 N VAL A 14 0.332 11.782 2.386 1.00 0.00 N ATOM 183 CA VAL A 14 0.921 12.781 3.299 1.00 0.00 C ATOM 184 C VAL A 14 2.429 12.751 3.155 1.00 0.00 C ATOM 185 O VAL A 14 3.037 11.712 2.975 1.00 0.00 O ATOM 186 CB VAL A 14 0.502 12.394 4.727 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.889 11.773 4.704 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.503 11.397 5.323 1.00 0.00 C ATOM 0 H VAL A 14 0.700 10.835 2.472 1.00 0.00 H new ATOM 0 HA VAL A 14 0.577 13.790 3.070 1.00 0.00 H new ATOM 0 HB VAL A 14 0.488 13.292 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.182 11.500 5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.602 12.492 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.879 10.882 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.194 11.132 6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.534 10.499 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.494 11.850 5.354 1.00 0.00 H new ATOM 198 N THR A 15 3.028 13.881 3.239 1.00 0.00 N ATOM 199 CA THR A 15 4.505 13.936 3.133 1.00 0.00 C ATOM 200 C THR A 15 5.106 12.985 4.170 1.00 0.00 C ATOM 201 O THR A 15 4.576 12.826 5.251 1.00 0.00 O ATOM 202 CB THR A 15 4.867 15.375 3.464 1.00 0.00 C ATOM 203 OG1 THR A 15 3.908 16.250 2.884 1.00 0.00 O ATOM 204 CG2 THR A 15 6.253 15.688 2.907 1.00 0.00 C ATOM 0 H THR A 15 2.566 14.780 3.377 1.00 0.00 H new ATOM 0 HA THR A 15 4.877 13.644 2.151 1.00 0.00 H new ATOM 0 HB THR A 15 4.872 15.513 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.282 16.553 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.515 16.719 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.985 15.016 3.354 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.250 15.553 1.825 1.00 0.00 H new ATOM 212 N CYS A 16 6.194 12.342 3.859 1.00 0.00 N ATOM 213 CA CYS A 16 6.793 11.401 4.847 1.00 0.00 C ATOM 214 C CYS A 16 8.011 12.028 5.528 1.00 0.00 C ATOM 215 O CYS A 16 8.432 13.113 5.180 1.00 0.00 O ATOM 216 CB CYS A 16 7.193 10.175 4.029 1.00 0.00 C ATOM 217 SG CYS A 16 5.964 8.869 4.281 1.00 0.00 S ATOM 0 H CYS A 16 6.692 12.424 2.973 1.00 0.00 H new ATOM 0 HA CYS A 16 6.097 11.148 5.647 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.257 10.433 2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.180 9.826 4.332 1.00 0.00 H new ATOM 222 N PRO A 17 8.531 11.314 6.490 1.00 0.00 N ATOM 223 CA PRO A 17 9.713 11.792 7.253 1.00 0.00 C ATOM 224 C PRO A 17 10.961 11.803 6.366 1.00 0.00 C ATOM 225 O PRO A 17 10.916 11.378 5.228 1.00 0.00 O ATOM 226 CB PRO A 17 9.846 10.766 8.379 1.00 0.00 C ATOM 227 CG PRO A 17 9.182 9.535 7.854 1.00 0.00 C ATOM 228 CD PRO A 17 8.071 10.000 6.953 1.00 0.00 C ATOM 0 HA PRO A 17 9.603 12.812 7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.892 10.578 8.622 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.365 11.116 9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.892 8.915 7.306 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.791 8.927 8.670 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.915 9.313 6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.124 10.072 7.488 1.00 0.00 H new ATOM 236 N PRO A 18 12.037 12.293 6.921 1.00 0.00 N ATOM 237 CA PRO A 18 13.317 12.364 6.172 1.00 0.00 C ATOM 238 C PRO A 18 13.861 10.958 5.905 1.00 0.00 C ATOM 239 O PRO A 18 13.894 10.115 6.779 1.00 0.00 O ATOM 240 CB PRO A 18 14.236 13.150 7.107 1.00 0.00 C ATOM 241 CG PRO A 18 13.658 12.944 8.469 1.00 0.00 C ATOM 242 CD PRO A 18 12.170 12.820 8.284 1.00 0.00 C ATOM 0 HA PRO A 18 13.219 12.834 5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.262 12.785 7.053 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.259 14.207 6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 18 14.068 12.047 8.933 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.900 13.781 9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.729 12.147 9.019 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.670 13.783 8.393 1.00 0.00 H new ATOM 250 N GLY A 19 14.277 10.702 4.696 1.00 0.00 N ATOM 251 CA GLY A 19 14.810 9.354 4.354 1.00 0.00 C ATOM 252 C GLY A 19 14.218 8.916 3.016 1.00 0.00 C ATOM 253 O GLY A 19 14.918 8.764 2.036 1.00 0.00 O ATOM 0 H GLY A 19 14.271 11.372 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.898 9.382 4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.552 8.637 5.134 1.00 0.00 H new ATOM 257 N GLU A 20 12.929 8.717 2.966 1.00 0.00 N ATOM 258 CA GLU A 20 12.288 8.299 1.697 1.00 0.00 C ATOM 259 C GLU A 20 12.330 9.447 0.689 1.00 0.00 C ATOM 260 O GLU A 20 11.636 10.435 0.829 1.00 0.00 O ATOM 261 CB GLU A 20 10.849 7.977 2.088 1.00 0.00 C ATOM 262 CG GLU A 20 10.824 6.672 2.882 1.00 0.00 C ATOM 263 CD GLU A 20 11.106 6.967 4.356 1.00 0.00 C ATOM 264 OE1 GLU A 20 10.479 7.868 4.889 1.00 0.00 O ATOM 265 OE2 GLU A 20 11.943 6.288 4.926 1.00 0.00 O ATOM 0 H GLU A 20 12.293 8.828 3.756 1.00 0.00 H new ATOM 0 HA GLU A 20 12.787 7.450 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.432 8.788 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.229 7.886 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.853 6.188 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.569 5.980 2.489 1.00 0.00 H new ATOM 272 N ASN A 21 13.138 9.327 -0.327 1.00 0.00 N ATOM 273 CA ASN A 21 13.222 10.413 -1.339 1.00 0.00 C ATOM 274 C ASN A 21 12.014 10.340 -2.272 1.00 0.00 C ATOM 275 O ASN A 21 11.747 11.250 -3.032 1.00 0.00 O ATOM 276 CB ASN A 21 14.513 10.140 -2.110 1.00 0.00 C ATOM 277 CG ASN A 21 15.640 9.782 -1.137 1.00 0.00 C ATOM 278 OD1 ASN A 21 16.628 9.194 -1.530 1.00 0.00 O ATOM 279 ND2 ASN A 21 15.539 10.111 0.124 1.00 0.00 N ATOM 0 H ASN A 21 13.743 8.524 -0.499 1.00 0.00 H new ATOM 0 HA ASN A 21 13.224 11.406 -0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.359 9.324 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.790 11.018 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.288 9.874 0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.711 10.605 0.458 1.00 0.00 H new ATOM 286 N LEU A 22 11.280 9.262 -2.219 1.00 0.00 N ATOM 287 CA LEU A 22 10.089 9.131 -3.103 1.00 0.00 C ATOM 288 C LEU A 22 9.064 8.191 -2.483 1.00 0.00 C ATOM 289 O LEU A 22 9.254 7.668 -1.409 1.00 0.00 O ATOM 290 CB LEU A 22 10.618 8.526 -4.400 1.00 0.00 C ATOM 291 CG LEU A 22 11.106 7.097 -4.144 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.271 6.111 -4.968 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.572 6.986 -4.562 1.00 0.00 C ATOM 0 H LEU A 22 11.454 8.468 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 22 9.598 10.091 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.834 8.522 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.434 9.135 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 22 11.002 6.862 -3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.621 5.095 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.223 6.192 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.375 6.344 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.926 5.971 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.667 7.221 -5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.170 7.687 -3.980 1.00 0.00 H new ATOM 305 N CYS A 23 7.983 7.965 -3.167 1.00 0.00 N ATOM 306 CA CYS A 23 6.942 7.049 -2.646 1.00 0.00 C ATOM 307 C CYS A 23 7.094 5.691 -3.323 1.00 0.00 C ATOM 308 O CYS A 23 7.968 5.494 -4.141 1.00 0.00 O ATOM 309 CB CYS A 23 5.624 7.698 -3.041 1.00 0.00 C ATOM 310 SG CYS A 23 5.662 9.456 -2.611 1.00 0.00 S ATOM 0 H CYS A 23 7.775 8.381 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 23 7.007 6.891 -1.569 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.454 7.578 -4.111 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.797 7.206 -2.530 1.00 0.00 H new ATOM 315 N TYR A 24 6.254 4.752 -3.015 1.00 0.00 N ATOM 316 CA TYR A 24 6.390 3.432 -3.673 1.00 0.00 C ATOM 317 C TYR A 24 5.082 2.665 -3.644 1.00 0.00 C ATOM 318 O TYR A 24 4.089 3.120 -3.126 1.00 0.00 O ATOM 319 CB TYR A 24 7.454 2.678 -2.880 1.00 0.00 C ATOM 320 CG TYR A 24 6.876 2.245 -1.559 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.210 1.022 -1.465 1.00 0.00 C ATOM 322 CD2 TYR A 24 7.000 3.064 -0.438 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.666 0.614 -0.242 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.456 2.660 0.788 1.00 0.00 C ATOM 325 CZ TYR A 24 5.789 1.433 0.886 1.00 0.00 C ATOM 326 OH TYR A 24 5.253 1.033 2.093 1.00 0.00 O ATOM 0 H TYR A 24 5.489 4.838 -2.346 1.00 0.00 H new ATOM 0 HA TYR A 24 6.664 3.548 -4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.796 1.809 -3.443 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.323 3.315 -2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.115 0.391 -2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.515 4.010 -0.515 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.151 -0.333 -0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.551 3.294 1.657 1.00 0.00 H new ATOM 0 HH TYR A 24 5.429 1.718 2.772 1.00 0.00 H new ATOM 336 N ARG A 25 5.092 1.494 -4.198 1.00 0.00 N ATOM 337 CA ARG A 25 3.852 0.663 -4.211 1.00 0.00 C ATOM 338 C ARG A 25 4.208 -0.785 -3.853 1.00 0.00 C ATOM 339 O ARG A 25 4.860 -1.465 -4.615 1.00 0.00 O ATOM 340 CB ARG A 25 3.328 0.727 -5.655 1.00 0.00 C ATOM 341 CG ARG A 25 3.681 2.075 -6.299 1.00 0.00 C ATOM 342 CD ARG A 25 3.161 2.104 -7.737 1.00 0.00 C ATOM 343 NE ARG A 25 1.724 2.476 -7.617 1.00 0.00 N ATOM 344 CZ ARG A 25 0.890 2.178 -8.575 1.00 0.00 C ATOM 345 NH1 ARG A 25 0.996 2.760 -9.737 1.00 0.00 N ATOM 346 NH2 ARG A 25 -0.050 1.296 -8.370 1.00 0.00 N ATOM 0 H ARG A 25 5.904 1.069 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 25 3.111 1.018 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.759 -0.086 -6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.247 0.587 -5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.241 2.891 -5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.761 2.224 -6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.708 2.829 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.279 1.134 -8.220 1.00 0.00 H new ATOM 0 HE ARG A 25 1.392 2.964 -6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.731 3.449 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.344 2.527 -10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.132 0.840 -7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.702 1.063 -9.119 1.00 0.00 H new ATOM 360 N LYS A 26 3.792 -1.286 -2.720 1.00 0.00 N ATOM 361 CA LYS A 26 4.152 -2.688 -2.398 1.00 0.00 C ATOM 362 C LYS A 26 2.992 -3.611 -2.686 1.00 0.00 C ATOM 363 O LYS A 26 1.852 -3.203 -2.781 1.00 0.00 O ATOM 364 CB LYS A 26 4.475 -2.734 -0.906 1.00 0.00 C ATOM 365 CG LYS A 26 5.979 -2.907 -0.719 1.00 0.00 C ATOM 366 CD LYS A 26 6.403 -2.296 0.619 1.00 0.00 C ATOM 367 CE LYS A 26 7.580 -1.345 0.398 1.00 0.00 C ATOM 368 NZ LYS A 26 8.794 -2.177 0.628 1.00 0.00 N ATOM 0 H LYS A 26 3.232 -0.796 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 26 5.000 -3.011 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.140 -1.817 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.941 -3.558 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.240 -3.965 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.515 -2.425 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.567 -1.758 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.685 -3.084 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.570 -0.932 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.542 -0.502 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.594 -1.778 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.022 -2.186 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.615 -3.149 0.305 1.00 0.00 H new ATOM 382 N MET A 27 3.283 -4.859 -2.798 1.00 0.00 N ATOM 383 CA MET A 27 2.217 -5.843 -3.048 1.00 0.00 C ATOM 384 C MET A 27 2.692 -7.200 -2.584 1.00 0.00 C ATOM 385 O MET A 27 3.875 -7.443 -2.456 1.00 0.00 O ATOM 386 CB MET A 27 1.968 -5.821 -4.557 1.00 0.00 C ATOM 387 CG MET A 27 0.517 -5.423 -4.828 1.00 0.00 C ATOM 388 SD MET A 27 -0.028 -6.151 -6.393 1.00 0.00 S ATOM 389 CE MET A 27 -0.866 -4.685 -7.042 1.00 0.00 C ATOM 0 H MET A 27 4.224 -5.246 -2.727 1.00 0.00 H new ATOM 0 HA MET A 27 1.295 -5.616 -2.512 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.646 -5.116 -5.038 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.173 -6.802 -4.985 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.123 -5.764 -4.014 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.428 -4.337 -4.870 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.710 -4.623 -8.119 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.934 -4.754 -6.834 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.460 -3.793 -6.565 1.00 0.00 H new ATOM 399 N TRP A 28 1.792 -8.076 -2.287 1.00 0.00 N ATOM 400 CA TRP A 28 2.231 -9.390 -1.785 1.00 0.00 C ATOM 401 C TRP A 28 1.032 -10.312 -1.534 1.00 0.00 C ATOM 402 O TRP A 28 0.511 -10.929 -2.439 1.00 0.00 O ATOM 403 CB TRP A 28 2.959 -9.049 -0.479 1.00 0.00 C ATOM 404 CG TRP A 28 2.372 -7.833 0.211 1.00 0.00 C ATOM 405 CD1 TRP A 28 1.064 -7.645 0.539 1.00 0.00 C ATOM 406 CD2 TRP A 28 3.073 -6.644 0.677 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.936 -6.433 1.199 1.00 0.00 N ATOM 408 CE2 TRP A 28 2.146 -5.779 1.302 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.414 -6.244 0.620 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.544 -4.562 1.856 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.819 -5.020 1.172 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.886 -4.181 1.792 1.00 0.00 C ATOM 0 H TRP A 28 0.784 -7.943 -2.368 1.00 0.00 H new ATOM 0 HA TRP A 28 2.865 -9.927 -2.491 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.910 -9.904 0.195 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.013 -8.870 -0.690 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.257 -8.329 0.320 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.055 -6.069 1.564 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.143 -6.884 0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.819 -3.918 2.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.856 -4.723 1.118 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.203 -3.241 2.220 1.00 0.00 H new ATOM 423 N CYS A 29 0.601 -10.412 -0.312 1.00 0.00 N ATOM 424 CA CYS A 29 -0.562 -11.276 0.023 1.00 0.00 C ATOM 425 C CYS A 29 -0.978 -10.970 1.462 1.00 0.00 C ATOM 426 O CYS A 29 -0.167 -10.567 2.272 1.00 0.00 O ATOM 427 CB CYS A 29 -0.048 -12.706 -0.100 1.00 0.00 C ATOM 428 SG CYS A 29 -1.004 -13.593 -1.354 1.00 0.00 S ATOM 0 H CYS A 29 1.012 -9.923 0.483 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.425 -11.116 -0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.008 -12.701 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.129 -13.215 0.860 1.00 0.00 H new ATOM 433 N ASP A 30 -2.223 -11.137 1.795 1.00 0.00 N ATOM 434 CA ASP A 30 -2.648 -10.827 3.190 1.00 0.00 C ATOM 435 C ASP A 30 -2.655 -12.096 4.045 1.00 0.00 C ATOM 436 O ASP A 30 -2.072 -13.099 3.682 1.00 0.00 O ATOM 437 CB ASP A 30 -4.054 -10.247 3.055 1.00 0.00 C ATOM 438 CG ASP A 30 -5.002 -11.321 2.517 1.00 0.00 C ATOM 439 OD1 ASP A 30 -4.532 -12.411 2.237 1.00 0.00 O ATOM 440 OD2 ASP A 30 -6.182 -11.035 2.397 1.00 0.00 O ATOM 0 H ASP A 30 -2.960 -11.470 1.173 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.970 -10.131 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.405 -9.889 4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.041 -9.389 2.383 1.00 0.00 H new ATOM 445 N ALA A 31 -3.302 -12.054 5.180 1.00 0.00 N ATOM 446 CA ALA A 31 -3.346 -13.253 6.069 1.00 0.00 C ATOM 447 C ALA A 31 -3.485 -14.526 5.232 1.00 0.00 C ATOM 448 O ALA A 31 -2.813 -15.511 5.464 1.00 0.00 O ATOM 449 CB ALA A 31 -4.582 -13.048 6.946 1.00 0.00 C ATOM 0 H ALA A 31 -3.804 -11.238 5.531 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.439 -13.362 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.686 -13.890 7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.474 -12.126 7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.469 -12.982 6.315 1.00 0.00 H new ATOM 455 N PHE A 32 -4.345 -14.506 4.254 1.00 0.00 N ATOM 456 CA PHE A 32 -4.524 -15.707 3.392 1.00 0.00 C ATOM 457 C PHE A 32 -4.705 -15.277 1.935 1.00 0.00 C ATOM 458 O PHE A 32 -5.714 -14.706 1.572 1.00 0.00 O ATOM 459 CB PHE A 32 -5.790 -16.385 3.915 1.00 0.00 C ATOM 460 CG PHE A 32 -5.532 -16.932 5.297 1.00 0.00 C ATOM 461 CD1 PHE A 32 -4.381 -17.689 5.546 1.00 0.00 C ATOM 462 CD2 PHE A 32 -6.443 -16.682 6.331 1.00 0.00 C ATOM 463 CE1 PHE A 32 -4.141 -18.197 6.828 1.00 0.00 C ATOM 464 CE2 PHE A 32 -6.203 -17.190 7.613 1.00 0.00 C ATOM 465 CZ PHE A 32 -5.052 -17.948 7.862 1.00 0.00 C ATOM 0 H PHE A 32 -4.933 -13.708 4.013 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.665 -16.377 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.613 -15.671 3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.089 -17.190 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.678 -17.881 4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.331 -16.097 6.139 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.253 -18.781 7.020 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.906 -16.997 8.410 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.867 -18.340 8.851 1.00 0.00 H new ATOM 475 N CYS A 33 -3.736 -15.540 1.099 1.00 0.00 N ATOM 476 CA CYS A 33 -3.862 -15.138 -0.332 1.00 0.00 C ATOM 477 C CYS A 33 -5.275 -15.438 -0.835 1.00 0.00 C ATOM 478 O CYS A 33 -5.606 -16.562 -1.157 1.00 0.00 O ATOM 479 CB CYS A 33 -2.835 -15.985 -1.081 1.00 0.00 C ATOM 480 SG CYS A 33 -1.166 -15.465 -0.612 1.00 0.00 S ATOM 0 H CYS A 33 -2.866 -16.014 1.344 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.688 -14.072 -0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.978 -17.040 -0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.973 -15.876 -2.157 1.00 0.00 H new ATOM 485 N SER A 34 -6.112 -14.441 -0.893 1.00 0.00 N ATOM 486 CA SER A 34 -7.510 -14.666 -1.362 1.00 0.00 C ATOM 487 C SER A 34 -7.574 -14.638 -2.891 1.00 0.00 C ATOM 488 O SER A 34 -6.642 -14.230 -3.555 1.00 0.00 O ATOM 489 CB SER A 34 -8.311 -13.507 -0.771 1.00 0.00 C ATOM 490 OG SER A 34 -7.902 -12.293 -1.386 1.00 0.00 O ATOM 0 H SER A 34 -5.890 -13.479 -0.636 1.00 0.00 H new ATOM 0 HA SER A 34 -7.898 -15.636 -1.051 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.377 -13.668 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.154 -13.453 0.306 1.00 0.00 H new ATOM 0 HG SER A 34 -8.415 -11.547 -1.010 1.00 0.00 H new ATOM 496 N SER A 35 -8.672 -15.066 -3.456 1.00 0.00 N ATOM 497 CA SER A 35 -8.797 -15.057 -4.941 1.00 0.00 C ATOM 498 C SER A 35 -8.892 -13.616 -5.446 1.00 0.00 C ATOM 499 O SER A 35 -8.884 -13.360 -6.633 1.00 0.00 O ATOM 500 CB SER A 35 -10.089 -15.816 -5.238 1.00 0.00 C ATOM 501 OG SER A 35 -10.009 -17.118 -4.674 1.00 0.00 O ATOM 0 H SER A 35 -9.486 -15.421 -2.953 1.00 0.00 H new ATOM 0 HA SER A 35 -7.938 -15.514 -5.433 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.943 -15.280 -4.824 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.246 -15.883 -6.315 1.00 0.00 H new ATOM 0 HG SER A 35 -10.837 -17.607 -4.861 1.00 0.00 H new ATOM 507 N ARG A 36 -8.973 -12.672 -4.547 1.00 0.00 N ATOM 508 CA ARG A 36 -9.058 -11.245 -4.965 1.00 0.00 C ATOM 509 C ARG A 36 -7.655 -10.698 -5.239 1.00 0.00 C ATOM 510 O ARG A 36 -7.455 -9.505 -5.355 1.00 0.00 O ATOM 511 CB ARG A 36 -9.688 -10.523 -3.772 1.00 0.00 C ATOM 512 CG ARG A 36 -10.992 -9.853 -4.206 1.00 0.00 C ATOM 513 CD ARG A 36 -11.936 -10.902 -4.799 1.00 0.00 C ATOM 514 NE ARG A 36 -13.244 -10.669 -4.125 1.00 0.00 N ATOM 515 CZ ARG A 36 -14.226 -11.512 -4.296 1.00 0.00 C ATOM 516 NH1 ARG A 36 -13.992 -12.692 -4.803 1.00 0.00 N ATOM 517 NH2 ARG A 36 -15.441 -11.176 -3.958 1.00 0.00 N ATOM 0 H ARG A 36 -8.984 -12.829 -3.539 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.640 -11.112 -5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.882 -11.232 -2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.997 -9.777 -3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.464 -9.366 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.786 -9.077 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.023 -10.789 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.571 -11.912 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.372 -9.851 -3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.042 -12.955 -5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.759 -13.351 -4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.623 -10.255 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.208 -11.835 -4.092 1.00 0.00 H new ATOM 531 N GLY A 37 -6.681 -11.562 -5.335 1.00 0.00 N ATOM 532 CA GLY A 37 -5.293 -11.093 -5.590 1.00 0.00 C ATOM 533 C GLY A 37 -4.637 -10.735 -4.257 1.00 0.00 C ATOM 534 O GLY A 37 -5.085 -11.148 -3.206 1.00 0.00 O ATOM 0 H GLY A 37 -6.789 -12.573 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.720 -11.870 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.304 -10.225 -6.250 1.00 0.00 H new ATOM 538 N LYS A 38 -3.592 -9.958 -4.286 1.00 0.00 N ATOM 539 CA LYS A 38 -2.927 -9.564 -3.018 1.00 0.00 C ATOM 540 C LYS A 38 -3.541 -8.262 -2.528 1.00 0.00 C ATOM 541 O LYS A 38 -4.715 -8.008 -2.703 1.00 0.00 O ATOM 542 CB LYS A 38 -1.459 -9.340 -3.382 1.00 0.00 C ATOM 543 CG LYS A 38 -1.000 -10.380 -4.411 1.00 0.00 C ATOM 544 CD LYS A 38 -1.491 -11.767 -3.993 1.00 0.00 C ATOM 545 CE LYS A 38 -0.418 -12.808 -4.317 1.00 0.00 C ATOM 546 NZ LYS A 38 -1.171 -14.067 -4.575 1.00 0.00 N ATOM 0 H LYS A 38 -3.171 -9.579 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.037 -10.314 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.327 -8.336 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.841 -9.407 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.390 -10.127 -5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.087 -10.376 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.714 -11.779 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.417 -12.009 -4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.169 -12.513 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.280 -12.928 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.527 -14.783 -4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.577 -14.418 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.936 -13.881 -5.254 1.00 0.00 H new ATOM 560 N VAL A 39 -2.746 -7.417 -1.949 1.00 0.00 N ATOM 561 CA VAL A 39 -3.269 -6.110 -1.484 1.00 0.00 C ATOM 562 C VAL A 39 -2.594 -5.008 -2.293 1.00 0.00 C ATOM 563 O VAL A 39 -2.167 -5.215 -3.411 1.00 0.00 O ATOM 564 CB VAL A 39 -2.879 -5.997 -0.003 1.00 0.00 C ATOM 565 CG1 VAL A 39 -3.887 -5.104 0.723 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.875 -7.379 0.655 1.00 0.00 C ATOM 0 H VAL A 39 -1.753 -7.575 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.348 -6.022 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.880 -5.566 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.611 -5.023 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.886 -4.112 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.883 -5.539 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.597 -7.282 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.870 -7.819 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.156 -8.022 0.147 1.00 0.00 H new ATOM 576 N VAL A 40 -2.463 -3.857 -1.720 1.00 0.00 N ATOM 577 CA VAL A 40 -1.786 -2.733 -2.409 1.00 0.00 C ATOM 578 C VAL A 40 -1.349 -1.773 -1.334 1.00 0.00 C ATOM 579 O VAL A 40 -2.094 -0.922 -0.890 1.00 0.00 O ATOM 580 CB VAL A 40 -2.816 -2.099 -3.324 1.00 0.00 C ATOM 581 CG1 VAL A 40 -2.190 -0.872 -3.980 1.00 0.00 C ATOM 582 CG2 VAL A 40 -3.208 -3.105 -4.401 1.00 0.00 C ATOM 0 H VAL A 40 -2.803 -3.640 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.921 -3.037 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.701 -1.808 -2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.917 -0.403 -4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.889 -0.162 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.316 -1.174 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.949 -2.658 -5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.326 -3.383 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.630 -3.994 -3.932 1.00 0.00 H new ATOM 592 N GLU A 41 -0.169 -1.958 -0.861 1.00 0.00 N ATOM 593 CA GLU A 41 0.306 -1.119 0.253 1.00 0.00 C ATOM 594 C GLU A 41 1.417 -0.160 -0.185 1.00 0.00 C ATOM 595 O GLU A 41 2.583 -0.373 0.083 1.00 0.00 O ATOM 596 CB GLU A 41 0.800 -2.139 1.273 1.00 0.00 C ATOM 597 CG GLU A 41 -0.262 -3.235 1.445 1.00 0.00 C ATOM 598 CD GLU A 41 -1.612 -2.590 1.769 1.00 0.00 C ATOM 599 OE1 GLU A 41 -1.799 -2.196 2.908 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.436 -2.505 0.874 1.00 0.00 O ATOM 0 H GLU A 41 0.494 -2.657 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.470 -0.465 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.741 -2.577 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.995 -1.651 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.339 -3.828 0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.029 -3.916 2.245 1.00 0.00 H new ATOM 607 N LEU A 42 1.052 0.907 -0.846 1.00 0.00 N ATOM 608 CA LEU A 42 2.065 1.904 -1.293 1.00 0.00 C ATOM 609 C LEU A 42 2.505 2.750 -0.096 1.00 0.00 C ATOM 610 O LEU A 42 2.047 2.553 1.012 1.00 0.00 O ATOM 611 CB LEU A 42 1.345 2.795 -2.318 1.00 0.00 C ATOM 612 CG LEU A 42 0.374 1.979 -3.177 1.00 0.00 C ATOM 613 CD1 LEU A 42 -1.030 2.555 -3.021 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.791 2.084 -4.641 1.00 0.00 C ATOM 0 H LEU A 42 0.089 1.131 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 42 2.948 1.429 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.801 3.584 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.079 3.283 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 42 0.388 0.936 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.729 1.980 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.331 2.502 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.035 3.595 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.103 1.505 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.766 3.128 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.802 1.694 -4.760 1.00 0.00 H new ATOM 626 N GLY A 43 3.376 3.699 -0.305 1.00 0.00 N ATOM 627 CA GLY A 43 3.813 4.555 0.844 1.00 0.00 C ATOM 628 C GLY A 43 5.098 5.317 0.492 1.00 0.00 C ATOM 629 O GLY A 43 5.236 5.848 -0.589 1.00 0.00 O ATOM 0 H GLY A 43 3.801 3.920 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.023 5.262 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.982 3.934 1.724 1.00 0.00 H new ATOM 633 N CYS A 44 6.033 5.397 1.406 1.00 0.00 N ATOM 634 CA CYS A 44 7.292 6.140 1.124 1.00 0.00 C ATOM 635 C CYS A 44 8.505 5.206 1.186 1.00 0.00 C ATOM 636 O CYS A 44 8.450 4.132 1.750 1.00 0.00 O ATOM 637 CB CYS A 44 7.390 7.180 2.233 1.00 0.00 C ATOM 638 SG CYS A 44 5.792 7.994 2.470 1.00 0.00 S ATOM 0 H CYS A 44 5.975 4.979 2.334 1.00 0.00 H new ATOM 0 HA CYS A 44 7.281 6.583 0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.705 6.704 3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.149 7.920 1.981 1.00 0.00 H new ATOM 643 N ALA A 45 9.609 5.620 0.623 1.00 0.00 N ATOM 644 CA ALA A 45 10.827 4.773 0.661 1.00 0.00 C ATOM 645 C ALA A 45 12.043 5.558 0.164 1.00 0.00 C ATOM 646 O ALA A 45 11.930 6.449 -0.657 1.00 0.00 O ATOM 647 CB ALA A 45 10.530 3.596 -0.266 1.00 0.00 C ATOM 0 H ALA A 45 9.716 6.511 0.138 1.00 0.00 H new ATOM 0 HA ALA A 45 11.060 4.442 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.389 2.925 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.657 3.056 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.332 3.966 -1.272 1.00 0.00 H new ATOM 653 N ALA A 46 13.206 5.234 0.664 1.00 0.00 N ATOM 654 CA ALA A 46 14.438 5.956 0.233 1.00 0.00 C ATOM 655 C ALA A 46 14.727 5.675 -1.242 1.00 0.00 C ATOM 656 O ALA A 46 15.147 6.544 -1.981 1.00 0.00 O ATOM 657 CB ALA A 46 15.554 5.393 1.113 1.00 0.00 C ATOM 0 H ALA A 46 13.356 4.498 1.354 1.00 0.00 H new ATOM 0 HA ALA A 46 14.341 7.037 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.497 5.875 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.322 5.583 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.639 4.319 0.950 1.00 0.00 H new ATOM 663 N THR A 47 14.506 4.465 -1.676 1.00 0.00 N ATOM 664 CA THR A 47 14.766 4.122 -3.102 1.00 0.00 C ATOM 665 C THR A 47 14.035 2.828 -3.467 1.00 0.00 C ATOM 666 O THR A 47 13.842 1.963 -2.636 1.00 0.00 O ATOM 667 CB THR A 47 16.281 3.930 -3.194 1.00 0.00 C ATOM 668 OG1 THR A 47 16.766 3.415 -1.962 1.00 0.00 O ATOM 669 CG2 THR A 47 16.951 5.274 -3.485 1.00 0.00 C ATOM 0 H THR A 47 14.156 3.697 -1.103 1.00 0.00 H new ATOM 0 HA THR A 47 14.414 4.893 -3.788 1.00 0.00 H new ATOM 0 HB THR A 47 16.511 3.230 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.736 3.290 -2.019 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.030 5.136 -3.550 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.578 5.670 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.723 5.976 -2.683 1.00 0.00 H new ATOM 677 N CYS A 48 13.627 2.692 -4.700 1.00 0.00 N ATOM 678 CA CYS A 48 12.904 1.454 -5.120 1.00 0.00 C ATOM 679 C CYS A 48 13.542 0.221 -4.473 1.00 0.00 C ATOM 680 O CYS A 48 14.555 -0.268 -4.934 1.00 0.00 O ATOM 681 CB CYS A 48 13.057 1.400 -6.641 1.00 0.00 C ATOM 682 SG CYS A 48 12.398 2.920 -7.372 1.00 0.00 S ATOM 0 H CYS A 48 13.763 3.385 -5.436 1.00 0.00 H new ATOM 0 HA CYS A 48 11.857 1.466 -4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.107 1.282 -6.907 1.00 0.00 H new ATOM 0 HB3 CYS A 48 12.528 0.534 -7.039 1.00 0.00 H new ATOM 687 N PRO A 49 12.923 -0.239 -3.419 1.00 0.00 N ATOM 688 CA PRO A 49 13.435 -1.425 -2.692 1.00 0.00 C ATOM 689 C PRO A 49 13.131 -2.702 -3.480 1.00 0.00 C ATOM 690 O PRO A 49 12.017 -2.928 -3.904 1.00 0.00 O ATOM 691 CB PRO A 49 12.660 -1.402 -1.378 1.00 0.00 C ATOM 692 CG PRO A 49 11.400 -0.652 -1.679 1.00 0.00 C ATOM 693 CD PRO A 49 11.699 0.297 -2.812 1.00 0.00 C ATOM 0 HA PRO A 49 14.515 -1.406 -2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.444 -2.412 -1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.233 -0.910 -0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.601 -1.340 -1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.060 -0.105 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.880 0.330 -3.530 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.847 1.315 -2.450 1.00 0.00 H new ATOM 701 N SER A 50 14.111 -3.538 -3.681 1.00 0.00 N ATOM 702 CA SER A 50 13.866 -4.795 -4.444 1.00 0.00 C ATOM 703 C SER A 50 14.862 -5.879 -4.025 1.00 0.00 C ATOM 704 O SER A 50 16.053 -5.758 -4.234 1.00 0.00 O ATOM 705 CB SER A 50 14.074 -4.414 -5.908 1.00 0.00 C ATOM 706 OG SER A 50 13.444 -3.165 -6.161 1.00 0.00 O ATOM 0 H SER A 50 15.067 -3.407 -3.352 1.00 0.00 H new ATOM 0 HA SER A 50 12.870 -5.198 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.139 -4.349 -6.131 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.658 -5.183 -6.559 1.00 0.00 H new ATOM 0 HG SER A 50 13.576 -2.916 -7.100 1.00 0.00 H new ATOM 712 N LYS A 51 14.380 -6.939 -3.439 1.00 0.00 N ATOM 713 CA LYS A 51 15.292 -8.036 -3.009 1.00 0.00 C ATOM 714 C LYS A 51 14.476 -9.256 -2.578 1.00 0.00 C ATOM 715 O LYS A 51 14.666 -9.798 -1.507 1.00 0.00 O ATOM 716 CB LYS A 51 16.077 -7.465 -1.829 1.00 0.00 C ATOM 717 CG LYS A 51 17.487 -8.059 -1.819 1.00 0.00 C ATOM 718 CD LYS A 51 18.515 -6.940 -1.998 1.00 0.00 C ATOM 719 CE LYS A 51 19.634 -7.106 -0.967 1.00 0.00 C ATOM 720 NZ LYS A 51 20.645 -6.072 -1.326 1.00 0.00 N ATOM 0 H LYS A 51 13.392 -7.094 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 51 15.954 -8.363 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.129 -6.379 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.567 -7.695 -0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.665 -8.584 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.590 -8.792 -2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 51 18.928 -6.969 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.036 -5.968 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.262 -6.959 0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.062 -8.108 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.444 -6.123 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.986 -6.241 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.211 -5.129 -1.272 1.00 0.00 H new ATOM 734 N LYS A 52 13.569 -9.689 -3.408 1.00 0.00 N ATOM 735 CA LYS A 52 12.735 -10.866 -3.065 1.00 0.00 C ATOM 736 C LYS A 52 11.947 -11.281 -4.303 1.00 0.00 C ATOM 737 O LYS A 52 11.120 -10.531 -4.784 1.00 0.00 O ATOM 738 CB LYS A 52 11.795 -10.382 -1.962 1.00 0.00 C ATOM 739 CG LYS A 52 12.107 -11.124 -0.661 1.00 0.00 C ATOM 740 CD LYS A 52 11.288 -10.517 0.480 1.00 0.00 C ATOM 741 CE LYS A 52 12.227 -10.067 1.601 1.00 0.00 C ATOM 742 NZ LYS A 52 12.916 -11.311 2.046 1.00 0.00 N ATOM 0 H LYS A 52 13.371 -9.271 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 52 13.319 -11.726 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.911 -9.308 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.758 -10.555 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.872 -12.183 -0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.171 -11.055 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.709 -9.669 0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.576 -11.250 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.942 -9.326 1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.673 -9.608 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.035 -11.291 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.345 -12.138 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.849 -11.373 1.591 1.00 0.00 H new ATOM 756 N PRO A 53 12.242 -12.452 -4.793 1.00 0.00 N ATOM 757 CA PRO A 53 11.554 -12.966 -6.001 1.00 0.00 C ATOM 758 C PRO A 53 10.126 -13.465 -5.698 1.00 0.00 C ATOM 759 O PRO A 53 9.672 -14.444 -6.255 1.00 0.00 O ATOM 760 CB PRO A 53 12.462 -14.096 -6.470 1.00 0.00 C ATOM 761 CG PRO A 53 13.206 -14.547 -5.253 1.00 0.00 C ATOM 762 CD PRO A 53 13.250 -13.389 -4.287 1.00 0.00 C ATOM 0 HA PRO A 53 11.409 -12.194 -6.757 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.881 -14.913 -6.899 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.148 -13.752 -7.244 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.711 -15.405 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.215 -14.863 -5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.019 -13.710 -3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 53 14.239 -12.932 -4.260 1.00 0.00 H new ATOM 770 N TYR A 54 9.407 -12.774 -4.851 1.00 0.00 N ATOM 771 CA TYR A 54 7.998 -13.167 -4.538 1.00 0.00 C ATOM 772 C TYR A 54 7.153 -11.899 -4.425 1.00 0.00 C ATOM 773 O TYR A 54 6.011 -11.859 -4.840 1.00 0.00 O ATOM 774 CB TYR A 54 8.015 -13.895 -3.186 1.00 0.00 C ATOM 775 CG TYR A 54 9.370 -14.492 -2.927 1.00 0.00 C ATOM 776 CD1 TYR A 54 9.789 -15.614 -3.645 1.00 0.00 C ATOM 777 CD2 TYR A 54 10.209 -13.914 -1.973 1.00 0.00 C ATOM 778 CE1 TYR A 54 11.051 -16.161 -3.407 1.00 0.00 C ATOM 779 CE2 TYR A 54 11.470 -14.458 -1.734 1.00 0.00 C ATOM 780 CZ TYR A 54 11.895 -15.583 -2.451 1.00 0.00 C ATOM 781 OH TYR A 54 13.143 -16.123 -2.215 1.00 0.00 O ATOM 0 H TYR A 54 9.739 -11.945 -4.357 1.00 0.00 H new ATOM 0 HA TYR A 54 7.582 -13.810 -5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.759 -13.198 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.258 -14.679 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.138 -16.058 -4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.881 -13.046 -1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.376 -17.030 -3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.119 -14.012 -0.996 1.00 0.00 H new ATOM 0 HH TYR A 54 13.600 -15.601 -1.523 1.00 0.00 H new ATOM 791 N GLU A 55 7.712 -10.856 -3.864 1.00 0.00 N ATOM 792 CA GLU A 55 6.943 -9.587 -3.724 1.00 0.00 C ATOM 793 C GLU A 55 6.937 -8.825 -5.052 1.00 0.00 C ATOM 794 O GLU A 55 7.334 -9.341 -6.078 1.00 0.00 O ATOM 795 CB GLU A 55 7.686 -8.789 -2.652 1.00 0.00 C ATOM 796 CG GLU A 55 7.850 -9.650 -1.398 1.00 0.00 C ATOM 797 CD GLU A 55 7.807 -8.757 -0.157 1.00 0.00 C ATOM 798 OE1 GLU A 55 7.078 -7.780 -0.179 1.00 0.00 O ATOM 799 OE2 GLU A 55 8.505 -9.067 0.795 1.00 0.00 O ATOM 0 H GLU A 55 8.664 -10.830 -3.499 1.00 0.00 H new ATOM 0 HA GLU A 55 5.902 -9.762 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.663 -8.480 -3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.134 -7.880 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.057 -10.396 -1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.795 -10.192 -1.437 1.00 0.00 H new ATOM 806 N GLU A 56 6.490 -7.600 -5.039 1.00 0.00 N ATOM 807 CA GLU A 56 6.457 -6.802 -6.298 1.00 0.00 C ATOM 808 C GLU A 56 6.330 -5.312 -5.970 1.00 0.00 C ATOM 809 O GLU A 56 5.436 -4.636 -6.439 1.00 0.00 O ATOM 810 CB GLU A 56 5.219 -7.293 -7.047 1.00 0.00 C ATOM 811 CG GLU A 56 5.565 -8.556 -7.838 1.00 0.00 C ATOM 812 CD GLU A 56 4.783 -8.564 -9.153 1.00 0.00 C ATOM 813 OE1 GLU A 56 3.668 -9.059 -9.153 1.00 0.00 O ATOM 814 OE2 GLU A 56 5.313 -8.076 -10.137 1.00 0.00 O ATOM 0 H GLU A 56 6.145 -7.116 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 56 7.364 -6.924 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.414 -7.502 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.858 -6.517 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.636 -8.590 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.322 -9.443 -7.253 1.00 0.00 H new ATOM 821 N VAL A 57 7.217 -4.798 -5.163 1.00 0.00 N ATOM 822 CA VAL A 57 7.149 -3.354 -4.797 1.00 0.00 C ATOM 823 C VAL A 57 7.495 -2.480 -6.006 1.00 0.00 C ATOM 824 O VAL A 57 8.068 -2.939 -6.974 1.00 0.00 O ATOM 825 CB VAL A 57 8.189 -3.183 -3.693 1.00 0.00 C ATOM 826 CG1 VAL A 57 7.825 -4.070 -2.502 1.00 0.00 C ATOM 827 CG2 VAL A 57 9.561 -3.590 -4.229 1.00 0.00 C ATOM 0 H VAL A 57 7.987 -5.316 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 57 6.153 -3.055 -4.471 1.00 0.00 H new ATOM 0 HB VAL A 57 8.213 -2.141 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.569 -3.946 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.844 -3.784 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.802 -5.113 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.308 -3.470 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.533 -4.632 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.822 -2.959 -5.078 1.00 0.00 H new ATOM 837 N THR A 58 7.148 -1.222 -5.957 1.00 0.00 N ATOM 838 CA THR A 58 7.449 -0.314 -7.096 1.00 0.00 C ATOM 839 C THR A 58 7.827 1.064 -6.559 1.00 0.00 C ATOM 840 O THR A 58 8.141 1.219 -5.397 1.00 0.00 O ATOM 841 CB THR A 58 6.149 -0.244 -7.899 1.00 0.00 C ATOM 842 OG1 THR A 58 5.376 -1.409 -7.647 1.00 0.00 O ATOM 843 CG2 THR A 58 6.472 -0.156 -9.391 1.00 0.00 C ATOM 0 H THR A 58 6.666 -0.784 -5.172 1.00 0.00 H new ATOM 0 HA THR A 58 8.280 -0.663 -7.708 1.00 0.00 H new ATOM 0 HB THR A 58 5.584 0.639 -7.600 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.542 -1.365 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.545 -0.106 -9.962 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.065 0.738 -9.583 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.037 -1.037 -9.694 1.00 0.00 H new ATOM 851 N CYS A 59 7.780 2.070 -7.386 1.00 0.00 N ATOM 852 CA CYS A 59 8.123 3.435 -6.900 1.00 0.00 C ATOM 853 C CYS A 59 7.147 4.463 -7.439 1.00 0.00 C ATOM 854 O CYS A 59 6.243 4.162 -8.193 1.00 0.00 O ATOM 855 CB CYS A 59 9.494 3.755 -7.467 1.00 0.00 C ATOM 856 SG CYS A 59 10.772 3.346 -6.253 1.00 0.00 S ATOM 0 H CYS A 59 7.521 2.008 -8.371 1.00 0.00 H new ATOM 0 HA CYS A 59 8.093 3.464 -5.811 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.658 3.191 -8.385 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.552 4.812 -7.727 1.00 0.00 H new ATOM 861 N CYS A 60 7.361 5.687 -7.077 1.00 0.00 N ATOM 862 CA CYS A 60 6.493 6.776 -7.580 1.00 0.00 C ATOM 863 C CYS A 60 7.101 8.126 -7.175 1.00 0.00 C ATOM 864 O CYS A 60 7.390 8.363 -6.023 1.00 0.00 O ATOM 865 CB CYS A 60 5.107 6.494 -6.958 1.00 0.00 C ATOM 866 SG CYS A 60 4.375 7.969 -6.189 1.00 0.00 S ATOM 0 H CYS A 60 8.107 5.984 -6.448 1.00 0.00 H new ATOM 0 HA CYS A 60 6.401 6.818 -8.665 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.435 6.120 -7.731 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.202 5.707 -6.210 1.00 0.00 H new ATOM 871 N SER A 61 7.321 9.005 -8.120 1.00 0.00 N ATOM 872 CA SER A 61 7.938 10.322 -7.778 1.00 0.00 C ATOM 873 C SER A 61 7.029 11.495 -8.179 1.00 0.00 C ATOM 874 O SER A 61 7.215 12.607 -7.726 1.00 0.00 O ATOM 875 CB SER A 61 9.235 10.364 -8.584 1.00 0.00 C ATOM 876 OG SER A 61 9.047 9.677 -9.814 1.00 0.00 O ATOM 0 H SER A 61 7.102 8.869 -9.107 1.00 0.00 H new ATOM 0 HA SER A 61 8.102 10.418 -6.705 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.526 11.397 -8.772 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.044 9.903 -8.017 1.00 0.00 H new ATOM 0 HG SER A 61 9.877 9.704 -10.334 1.00 0.00 H new ATOM 882 N THR A 62 6.055 11.270 -9.022 1.00 0.00 N ATOM 883 CA THR A 62 5.162 12.394 -9.431 1.00 0.00 C ATOM 884 C THR A 62 4.222 12.770 -8.281 1.00 0.00 C ATOM 885 O THR A 62 4.174 12.107 -7.265 1.00 0.00 O ATOM 886 CB THR A 62 4.368 11.863 -10.628 1.00 0.00 C ATOM 887 OG1 THR A 62 5.099 10.818 -11.255 1.00 0.00 O ATOM 888 CG2 THR A 62 4.136 12.995 -11.630 1.00 0.00 C ATOM 0 H THR A 62 5.841 10.365 -9.442 1.00 0.00 H new ATOM 0 HA THR A 62 5.723 13.293 -9.687 1.00 0.00 H new ATOM 0 HB THR A 62 3.407 11.480 -10.285 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.734 9.952 -10.978 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.571 12.617 -12.482 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.575 13.797 -11.150 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.096 13.379 -11.974 1.00 0.00 H new ATOM 896 N ASP A 63 3.476 13.831 -8.429 1.00 0.00 N ATOM 897 CA ASP A 63 2.545 14.240 -7.338 1.00 0.00 C ATOM 898 C ASP A 63 1.546 13.116 -7.050 1.00 0.00 C ATOM 899 O ASP A 63 0.803 12.696 -7.915 1.00 0.00 O ATOM 900 CB ASP A 63 1.824 15.478 -7.874 1.00 0.00 C ATOM 901 CG ASP A 63 2.731 16.701 -7.727 1.00 0.00 C ATOM 902 OD1 ASP A 63 3.192 16.942 -6.624 1.00 0.00 O ATOM 903 OD2 ASP A 63 2.950 17.375 -8.720 1.00 0.00 O ATOM 0 H ASP A 63 3.470 14.430 -9.254 1.00 0.00 H new ATOM 0 HA ASP A 63 3.067 14.448 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.559 15.332 -8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.893 15.635 -7.328 1.00 0.00 H new ATOM 908 N LYS A 64 1.522 12.622 -5.841 1.00 0.00 N ATOM 909 CA LYS A 64 0.570 11.524 -5.505 1.00 0.00 C ATOM 910 C LYS A 64 0.583 10.462 -6.609 1.00 0.00 C ATOM 911 O LYS A 64 -0.443 10.105 -7.154 1.00 0.00 O ATOM 912 CB LYS A 64 -0.799 12.200 -5.422 1.00 0.00 C ATOM 913 CG LYS A 64 -0.786 13.238 -4.299 1.00 0.00 C ATOM 914 CD LYS A 64 -2.160 13.902 -4.200 1.00 0.00 C ATOM 915 CE LYS A 64 -2.057 15.161 -3.335 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.059 16.103 -3.906 1.00 0.00 N ATOM 0 H LYS A 64 2.119 12.930 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 64 0.829 11.018 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.039 12.678 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.573 11.456 -5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.532 12.761 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.021 13.989 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.524 14.160 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.881 13.208 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.273 14.941 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.053 15.583 -3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.048 16.991 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.824 16.300 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.006 15.677 -3.852 1.00 0.00 H new ATOM 930 N CYS A 65 1.737 9.946 -6.932 1.00 0.00 N ATOM 931 CA CYS A 65 1.809 8.895 -7.995 1.00 0.00 C ATOM 932 C CYS A 65 1.695 7.506 -7.364 1.00 0.00 C ATOM 933 O CYS A 65 2.138 6.520 -7.917 1.00 0.00 O ATOM 934 CB CYS A 65 3.148 9.065 -8.731 1.00 0.00 C ATOM 935 SG CYS A 65 4.497 9.416 -7.582 1.00 0.00 S ATOM 0 H CYS A 65 2.630 10.202 -6.511 1.00 0.00 H new ATOM 0 HA CYS A 65 0.987 8.999 -8.703 1.00 0.00 H new ATOM 0 HB2 CYS A 65 3.373 8.158 -9.292 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.066 9.875 -9.455 1.00 0.00 H new ATOM 940 N ASN A 66 1.083 7.425 -6.210 1.00 0.00 N ATOM 941 CA ASN A 66 0.912 6.107 -5.540 1.00 0.00 C ATOM 942 C ASN A 66 -0.554 5.609 -5.603 1.00 0.00 C ATOM 943 O ASN A 66 -0.954 4.834 -4.757 1.00 0.00 O ATOM 944 CB ASN A 66 1.298 6.376 -4.081 1.00 0.00 C ATOM 945 CG ASN A 66 2.565 5.609 -3.723 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.735 5.184 -2.598 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.473 5.428 -4.632 1.00 0.00 N ATOM 0 H ASN A 66 0.694 8.220 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 66 1.515 5.337 -6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.455 7.444 -3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.484 6.077 -3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.332 4.928 -4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.328 5.786 -5.576 1.00 0.00 H new ATOM 954 N PRO A 67 -1.330 6.065 -6.572 1.00 0.00 N ATOM 955 CA PRO A 67 -2.744 5.632 -6.650 1.00 0.00 C ATOM 956 C PRO A 67 -2.867 4.250 -7.292 1.00 0.00 C ATOM 957 O PRO A 67 -2.527 4.056 -8.442 1.00 0.00 O ATOM 958 CB PRO A 67 -3.398 6.680 -7.542 1.00 0.00 C ATOM 959 CG PRO A 67 -2.293 7.223 -8.390 1.00 0.00 C ATOM 960 CD PRO A 67 -0.995 6.997 -7.657 1.00 0.00 C ATOM 0 HA PRO A 67 -3.204 5.553 -5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.184 6.239 -8.155 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.861 7.468 -6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.276 6.725 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.444 8.286 -8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.236 6.578 -8.318 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.595 7.932 -7.265 1.00 0.00 H new ATOM 968 N HIS A 68 -3.380 3.299 -6.568 1.00 0.00 N ATOM 969 CA HIS A 68 -3.561 1.940 -7.143 1.00 0.00 C ATOM 970 C HIS A 68 -5.014 1.802 -7.592 1.00 0.00 C ATOM 971 O HIS A 68 -5.821 2.648 -7.273 1.00 0.00 O ATOM 972 CB HIS A 68 -3.247 0.980 -5.991 1.00 0.00 C ATOM 973 CG HIS A 68 -4.196 1.203 -4.844 1.00 0.00 C ATOM 974 ND1 HIS A 68 -5.321 0.413 -4.650 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.176 2.088 -3.794 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.921 0.831 -3.522 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.265 1.850 -2.960 1.00 0.00 N ATOM 0 H HIS A 68 -3.683 3.404 -5.600 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.924 1.739 -8.004 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.323 -0.051 -6.338 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.221 1.129 -5.656 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -5.635 -0.347 -5.254 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.429 2.852 -3.639 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.824 0.396 -3.119 1.00 0.00 H new ATOM 985 N PRO A 69 -5.323 0.746 -8.299 1.00 0.00 N ATOM 986 CA PRO A 69 -6.722 0.544 -8.746 1.00 0.00 C ATOM 987 C PRO A 69 -7.600 0.414 -7.512 1.00 0.00 C ATOM 988 O PRO A 69 -7.826 -0.660 -6.991 1.00 0.00 O ATOM 989 CB PRO A 69 -6.656 -0.745 -9.568 1.00 0.00 C ATOM 990 CG PRO A 69 -5.435 -1.442 -9.062 1.00 0.00 C ATOM 991 CD PRO A 69 -4.450 -0.349 -8.735 1.00 0.00 C ATOM 0 HA PRO A 69 -7.142 1.357 -9.338 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.549 -1.354 -9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -6.580 -0.533 -10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.663 -2.041 -8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.032 -2.121 -9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -3.755 -0.650 -7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.851 -0.070 -9.602 1.00 0.00 H new ATOM 999 N LYS A 70 -8.059 1.528 -7.022 1.00 0.00 N ATOM 1000 CA LYS A 70 -8.885 1.529 -5.795 1.00 0.00 C ATOM 1001 C LYS A 70 -10.370 1.411 -6.130 1.00 0.00 C ATOM 1002 O LYS A 70 -10.927 0.333 -6.166 1.00 0.00 O ATOM 1003 CB LYS A 70 -8.585 2.886 -5.147 1.00 0.00 C ATOM 1004 CG LYS A 70 -7.091 2.997 -4.853 1.00 0.00 C ATOM 1005 CD LYS A 70 -6.556 4.314 -5.420 1.00 0.00 C ATOM 1006 CE LYS A 70 -7.251 5.490 -4.730 1.00 0.00 C ATOM 1007 NZ LYS A 70 -8.088 6.115 -5.792 1.00 0.00 N ATOM 0 H LYS A 70 -7.893 2.449 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.657 0.687 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.896 3.693 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.156 2.994 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.917 2.954 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.559 2.155 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.478 4.376 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.730 4.356 -6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.862 5.152 -3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.526 6.199 -4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.824 6.704 -5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.489 6.707 -6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.536 5.371 -6.364 1.00 0.00 H new ATOM 1021 N GLN A 71 -11.016 2.516 -6.344 1.00 0.00 N ATOM 1022 CA GLN A 71 -12.470 2.480 -6.642 1.00 0.00 C ATOM 1023 C GLN A 71 -12.702 2.246 -8.137 1.00 0.00 C ATOM 1024 O GLN A 71 -13.328 3.041 -8.811 1.00 0.00 O ATOM 1025 CB GLN A 71 -13.007 3.851 -6.213 1.00 0.00 C ATOM 1026 CG GLN A 71 -12.157 4.973 -6.821 1.00 0.00 C ATOM 1027 CD GLN A 71 -11.617 5.874 -5.701 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -11.910 7.052 -5.668 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -10.837 5.375 -4.775 1.00 0.00 N ATOM 0 H GLN A 71 -10.599 3.447 -6.326 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.976 1.670 -6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.044 3.958 -6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.998 3.928 -5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.330 4.549 -7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.756 5.560 -7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.587 4.386 -4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.479 5.975 -4.032 1.00 0.00 H new ATOM 1038 N ARG A 72 -12.202 1.160 -8.662 1.00 0.00 N ATOM 1039 CA ARG A 72 -12.397 0.878 -10.113 1.00 0.00 C ATOM 1040 C ARG A 72 -12.077 2.125 -10.943 1.00 0.00 C ATOM 1041 O ARG A 72 -12.905 2.600 -11.694 1.00 0.00 O ATOM 1042 CB ARG A 72 -13.876 0.514 -10.246 1.00 0.00 C ATOM 1043 CG ARG A 72 -14.049 -0.996 -10.075 1.00 0.00 C ATOM 1044 CD ARG A 72 -14.755 -1.568 -11.305 1.00 0.00 C ATOM 1045 NE ARG A 72 -16.022 -0.794 -11.413 1.00 0.00 N ATOM 1046 CZ ARG A 72 -16.574 -0.606 -12.580 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -16.202 0.400 -13.324 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -17.498 -1.424 -13.003 1.00 0.00 N ATOM 0 H ARG A 72 -11.668 0.457 -8.150 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.744 0.082 -10.471 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.461 1.045 -9.495 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.252 0.825 -11.221 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.077 -1.472 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.630 -1.207 -9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.144 -1.453 -12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.952 -2.634 -11.188 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.459 -0.411 -10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.479 1.039 -12.993 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.634 0.547 -14.236 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.788 -2.210 -12.421 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -17.930 -1.278 -13.915 1.00 0.00 H new ATOM 1062 N PRO A 73 -10.878 2.614 -10.776 1.00 0.00 N ATOM 1063 CA PRO A 73 -10.439 3.822 -11.517 1.00 0.00 C ATOM 1064 C PRO A 73 -10.165 3.483 -12.986 1.00 0.00 C ATOM 1065 O PRO A 73 -10.056 2.332 -13.358 1.00 0.00 O ATOM 1066 CB PRO A 73 -9.153 4.231 -10.805 1.00 0.00 C ATOM 1067 CG PRO A 73 -8.638 2.973 -10.178 1.00 0.00 C ATOM 1068 CD PRO A 73 -9.830 2.096 -9.891 1.00 0.00 C ATOM 0 HA PRO A 73 -11.188 4.614 -11.525 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.429 4.647 -11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.345 4.996 -10.053 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.941 2.468 -10.846 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.094 3.196 -9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.614 1.048 -10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.127 2.157 -8.844 1.00 0.00 H new ATOM 1076 N GLY A 74 -10.052 4.479 -13.822 1.00 0.00 N ATOM 1077 CA GLY A 74 -9.786 4.215 -15.265 1.00 0.00 C ATOM 1078 C GLY A 74 -11.098 4.285 -16.048 1.00 0.00 C ATOM 1079 O GLY A 74 -11.631 3.235 -16.367 1.00 0.00 O ATOM 1080 OXT GLY A 74 -11.547 5.387 -16.315 1.00 0.00 O ATOM 0 H GLY A 74 -10.132 5.464 -13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.078 4.947 -15.655 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.329 3.233 -15.388 1.00 0.00 H new TER 1084 GLY A 74 ATOM 1085 N MET B 1 -12.719 -5.424 3.587 1.00 0.00 N ATOM 1086 CA MET B 1 -12.137 -4.254 4.303 1.00 0.00 C ATOM 1087 C MET B 1 -10.660 -4.102 3.936 1.00 0.00 C ATOM 1088 O MET B 1 -9.785 -4.531 4.661 1.00 0.00 O ATOM 1089 CB MET B 1 -12.292 -4.582 5.788 1.00 0.00 C ATOM 1090 CG MET B 1 -11.580 -3.518 6.625 1.00 0.00 C ATOM 1091 SD MET B 1 -12.666 -2.977 7.969 1.00 0.00 S ATOM 1092 CE MET B 1 -11.381 -2.760 9.225 1.00 0.00 C ATOM 0 H1 MET B 1 -13.637 -5.668 4.010 1.00 0.00 H new ATOM 0 H2 MET B 1 -12.852 -5.186 2.583 1.00 0.00 H new ATOM 0 H3 MET B 1 -12.074 -6.236 3.668 1.00 0.00 H new ATOM 0 HA MET B 1 -12.630 -3.317 4.042 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.348 -4.622 6.054 1.00 0.00 H new ATOM 0 HB3 MET B 1 -11.873 -5.566 5.999 1.00 0.00 H new ATOM 0 HG2 MET B 1 -10.653 -3.921 7.033 1.00 0.00 H new ATOM 0 HG3 MET B 1 -11.309 -2.668 5.998 1.00 0.00 H new ATOM 0 HE1 MET B 1 -11.836 -2.422 10.156 1.00 0.00 H new ATOM 0 HE2 MET B 1 -10.872 -3.709 9.393 1.00 0.00 H new ATOM 0 HE3 MET B 1 -10.660 -2.017 8.883 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.372 -3.501 2.812 1.00 0.00 N ATOM 1105 CA ARG B 2 -8.945 -3.337 2.409 1.00 0.00 C ATOM 1106 C ARG B 2 -8.818 -2.490 1.150 1.00 0.00 C ATOM 1107 O ARG B 2 -9.725 -2.397 0.347 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.451 -4.756 2.093 1.00 0.00 C ATOM 1109 CG ARG B 2 -7.483 -5.218 3.184 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.584 -6.737 3.344 1.00 0.00 C ATOM 1111 NE ARG B 2 -7.166 -7.003 4.748 1.00 0.00 N ATOM 1112 CZ ARG B 2 -6.176 -7.816 4.991 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -4.947 -7.423 4.798 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -6.414 -9.023 5.426 1.00 0.00 N ATOM 0 H ARG B 2 -11.057 -3.119 2.160 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.376 -2.843 3.197 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.297 -5.441 2.030 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -7.955 -4.771 1.122 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.463 -4.936 2.924 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.719 -4.725 4.127 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -8.600 -7.087 3.161 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.937 -7.253 2.635 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.654 -6.549 5.520 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.761 -6.480 4.457 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -4.172 -8.059 4.988 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -7.375 -9.331 5.576 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -5.639 -9.659 5.616 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.659 -1.943 0.939 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.411 -1.179 -0.308 1.00 0.00 C ATOM 1130 C TYR B 3 -6.709 -2.168 -1.205 1.00 0.00 C ATOM 1131 O TYR B 3 -5.614 -1.952 -1.685 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.474 -0.008 0.027 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.479 0.274 1.507 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -5.582 -0.395 2.344 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -7.373 1.208 2.035 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -5.580 -0.131 3.717 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -7.372 1.474 3.405 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.475 0.804 4.249 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.473 1.062 5.604 1.00 0.00 O ATOM 0 H TYR B 3 -6.868 -1.993 1.581 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.312 -0.773 -0.768 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.461 -0.242 -0.300 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.787 0.882 -0.519 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.891 -1.115 1.931 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -8.064 1.723 1.384 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -4.889 -0.648 4.366 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.062 2.196 3.815 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.571 0.927 5.961 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.332 -3.293 -1.369 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.727 -4.378 -2.160 1.00 0.00 C ATOM 1151 C TYR B 4 -6.596 -3.977 -3.613 1.00 0.00 C ATOM 1152 O TYR B 4 -6.768 -2.836 -3.994 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.725 -5.531 -2.050 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.078 -6.747 -1.436 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.324 -6.634 -0.264 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.250 -7.998 -2.042 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -5.738 -7.774 0.302 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.665 -9.135 -1.478 1.00 0.00 C ATOM 1159 CZ TYR B 4 -5.909 -9.025 -0.306 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.331 -10.147 0.251 1.00 0.00 O ATOM 0 H TYR B 4 -8.250 -3.506 -0.980 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.729 -4.631 -1.801 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.577 -5.223 -1.444 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -8.110 -5.779 -3.039 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.193 -5.670 0.204 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.835 -8.084 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.155 -7.689 1.207 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -6.797 -10.099 -1.947 1.00 0.00 H new ATOM 0 HH TYR B 4 -6.029 -10.719 0.633 1.00 0.00 H new ATOM 1170 N GLU B 5 -6.292 -4.933 -4.415 1.00 0.00 N ATOM 1171 CA GLU B 5 -6.135 -4.674 -5.876 1.00 0.00 C ATOM 1172 C GLU B 5 -7.430 -5.020 -6.617 1.00 0.00 C ATOM 1173 O GLU B 5 -7.524 -6.038 -7.273 1.00 0.00 O ATOM 1174 CB GLU B 5 -5.001 -5.595 -6.323 1.00 0.00 C ATOM 1175 CG GLU B 5 -5.298 -7.026 -5.870 1.00 0.00 C ATOM 1176 CD GLU B 5 -4.573 -8.011 -6.789 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -3.364 -8.123 -6.668 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -5.239 -8.636 -7.597 1.00 0.00 O ATOM 0 H GLU B 5 -6.141 -5.901 -4.131 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.917 -3.627 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -4.896 -5.560 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.055 -5.257 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -4.974 -7.167 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -6.372 -7.212 -5.895 1.00 0.00 H new ATOM 1185 N SER B 6 -8.429 -4.180 -6.520 1.00 0.00 N ATOM 1186 CA SER B 6 -9.718 -4.466 -7.224 1.00 0.00 C ATOM 1187 C SER B 6 -10.838 -3.538 -6.733 1.00 0.00 C ATOM 1188 O SER B 6 -11.854 -3.390 -7.383 1.00 0.00 O ATOM 1189 CB SER B 6 -10.053 -5.917 -6.874 1.00 0.00 C ATOM 1190 OG SER B 6 -11.465 -6.087 -6.876 1.00 0.00 O ATOM 0 H SER B 6 -8.409 -3.311 -5.986 1.00 0.00 H new ATOM 0 HA SER B 6 -9.626 -4.305 -8.298 1.00 0.00 H new ATOM 0 HB2 SER B 6 -9.593 -6.593 -7.595 1.00 0.00 H new ATOM 0 HB3 SER B 6 -9.646 -6.170 -5.895 1.00 0.00 H new ATOM 0 HG SER B 6 -11.683 -7.016 -6.653 1.00 0.00 H new ATOM 1196 N SER B 7 -10.675 -2.919 -5.594 1.00 0.00 N ATOM 1197 CA SER B 7 -11.750 -2.018 -5.084 1.00 0.00 C ATOM 1198 C SER B 7 -11.245 -1.198 -3.893 1.00 0.00 C ATOM 1199 O SER B 7 -10.229 -1.502 -3.299 1.00 0.00 O ATOM 1200 CB SER B 7 -12.874 -2.957 -4.647 1.00 0.00 C ATOM 1201 OG SER B 7 -12.319 -4.210 -4.268 1.00 0.00 O ATOM 0 H SER B 7 -9.851 -2.997 -4.998 1.00 0.00 H new ATOM 0 HA SER B 7 -12.079 -1.304 -5.839 1.00 0.00 H new ATOM 0 HB2 SER B 7 -13.423 -2.522 -3.812 1.00 0.00 H new ATOM 0 HB3 SER B 7 -13.587 -3.093 -5.460 1.00 0.00 H new ATOM 0 HG SER B 7 -12.660 -4.465 -3.386 1.00 0.00 H new ATOM 1207 N LEU B 8 -11.951 -0.157 -3.543 1.00 0.00 N ATOM 1208 CA LEU B 8 -11.520 0.690 -2.394 1.00 0.00 C ATOM 1209 C LEU B 8 -12.737 1.122 -1.573 1.00 0.00 C ATOM 1210 O LEU B 8 -12.995 2.295 -1.395 1.00 0.00 O ATOM 1211 CB LEU B 8 -10.844 1.902 -3.035 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.851 2.536 -2.062 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -10.474 2.622 -0.672 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.582 1.681 -2.013 1.00 0.00 C ATOM 0 H LEU B 8 -12.810 0.144 -4.004 1.00 0.00 H new ATOM 0 HA LEU B 8 -10.852 0.162 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -10.327 1.599 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -11.597 2.635 -3.325 1.00 0.00 H new ATOM 0 HG LEU B 8 -9.599 3.542 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.762 3.075 0.018 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -11.376 3.232 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.729 1.621 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.869 2.128 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.834 0.675 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.139 1.630 -3.008 1.00 0.00 H new ATOM 1226 N LYS B 9 -13.486 0.183 -1.068 1.00 0.00 N ATOM 1227 CA LYS B 9 -14.681 0.547 -0.252 1.00 0.00 C ATOM 1228 C LYS B 9 -14.765 -0.370 0.962 1.00 0.00 C ATOM 1229 O LYS B 9 -15.821 -0.859 1.311 1.00 0.00 O ATOM 1230 CB LYS B 9 -15.922 0.351 -1.148 1.00 0.00 C ATOM 1231 CG LYS B 9 -15.531 0.175 -2.623 1.00 0.00 C ATOM 1232 CD LYS B 9 -15.083 1.519 -3.200 1.00 0.00 C ATOM 1233 CE LYS B 9 -16.213 2.113 -4.047 1.00 0.00 C ATOM 1234 NZ LYS B 9 -15.556 2.583 -5.298 1.00 0.00 N ATOM 0 H LYS B 9 -13.325 -0.818 -1.183 1.00 0.00 H new ATOM 0 HA LYS B 9 -14.619 1.577 0.098 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -16.480 -0.523 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -16.584 1.211 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -14.727 -0.556 -2.712 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -16.378 -0.212 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -14.820 2.204 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -14.189 1.386 -3.809 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -16.979 1.368 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -16.705 2.935 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -16.272 2.700 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -15.087 3.494 -5.122 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -14.850 1.883 -5.603 1.00 0.00 H new ATOM 1248 N SER B 10 -13.655 -0.605 1.606 1.00 0.00 N ATOM 1249 CA SER B 10 -13.656 -1.497 2.802 1.00 0.00 C ATOM 1250 C SER B 10 -14.597 -2.686 2.570 1.00 0.00 C ATOM 1251 O SER B 10 -15.199 -3.204 3.489 1.00 0.00 O ATOM 1252 CB SER B 10 -14.166 -0.621 3.946 1.00 0.00 C ATOM 1253 OG SER B 10 -15.572 -0.787 4.074 1.00 0.00 O ATOM 0 H SER B 10 -12.745 -0.218 1.356 1.00 0.00 H new ATOM 0 HA SER B 10 -12.670 -1.909 3.015 1.00 0.00 H new ATOM 0 HB2 SER B 10 -13.670 -0.894 4.877 1.00 0.00 H new ATOM 0 HB3 SER B 10 -13.928 0.425 3.752 1.00 0.00 H new ATOM 0 HG SER B 10 -15.993 -0.704 3.193 1.00 0.00 H new ATOM 1259 N TYR B 11 -14.733 -3.111 1.342 1.00 0.00 N ATOM 1260 CA TYR B 11 -15.643 -4.255 1.033 1.00 0.00 C ATOM 1261 C TYR B 11 -15.075 -5.567 1.586 1.00 0.00 C ATOM 1262 O TYR B 11 -13.905 -5.848 1.430 1.00 0.00 O ATOM 1263 CB TYR B 11 -15.707 -4.299 -0.498 1.00 0.00 C ATOM 1264 CG TYR B 11 -14.454 -4.949 -1.045 1.00 0.00 C ATOM 1265 CD1 TYR B 11 -13.279 -4.200 -1.192 1.00 0.00 C ATOM 1266 CD2 TYR B 11 -14.470 -6.302 -1.402 1.00 0.00 C ATOM 1267 CE1 TYR B 11 -12.122 -4.805 -1.696 1.00 0.00 C ATOM 1268 CE2 TYR B 11 -13.312 -6.907 -1.906 1.00 0.00 C ATOM 1269 CZ TYR B 11 -12.138 -6.159 -2.053 1.00 0.00 C ATOM 1270 OH TYR B 11 -10.997 -6.755 -2.549 1.00 0.00 O ATOM 0 H TYR B 11 -14.251 -2.714 0.535 1.00 0.00 H new ATOM 0 HA TYR B 11 -16.627 -4.130 1.485 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -16.587 -4.857 -0.818 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -15.807 -3.289 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -13.266 -3.156 -0.916 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -15.375 -6.880 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -11.217 -4.227 -1.810 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -13.325 -7.951 -2.181 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.823 -7.586 -2.060 1.00 0.00 H new ATOM 1280 N PRO B 12 -15.930 -6.330 2.212 1.00 0.00 N ATOM 1281 CA PRO B 12 -15.509 -7.629 2.791 1.00 0.00 C ATOM 1282 C PRO B 12 -15.305 -8.666 1.682 1.00 0.00 C ATOM 1283 O PRO B 12 -14.265 -9.285 1.581 1.00 0.00 O ATOM 1284 CB PRO B 12 -16.679 -8.016 3.691 1.00 0.00 C ATOM 1285 CG PRO B 12 -17.864 -7.304 3.119 1.00 0.00 C ATOM 1286 CD PRO B 12 -17.353 -6.058 2.439 1.00 0.00 C ATOM 0 HA PRO B 12 -14.564 -7.573 3.331 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -16.832 -9.095 3.696 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -16.499 -7.715 4.723 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -18.389 -7.942 2.408 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -18.575 -7.049 3.905 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -17.877 -5.872 1.502 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -17.495 -5.176 3.064 1.00 0.00 H new ATOM 1294 N ASP B 13 -16.292 -8.859 0.848 1.00 0.00 N ATOM 1295 CA ASP B 13 -16.155 -9.854 -0.254 1.00 0.00 C ATOM 1296 C ASP B 13 -17.345 -9.748 -1.211 1.00 0.00 C ATOM 1297 O ASP B 13 -18.250 -8.983 -0.918 1.00 0.00 O ATOM 1298 CB ASP B 13 -16.143 -11.217 0.440 1.00 0.00 C ATOM 1299 CG ASP B 13 -15.354 -12.216 -0.408 1.00 0.00 C ATOM 1300 OD1 ASP B 13 -14.566 -11.775 -1.228 1.00 0.00 O ATOM 1301 OD2 ASP B 13 -15.552 -13.406 -0.224 1.00 0.00 O ATOM 1302 OXT ASP B 13 -17.331 -10.432 -2.221 1.00 0.00 O ATOM 0 H ASP B 13 -17.187 -8.371 0.883 1.00 0.00 H new ATOM 0 HA ASP B 13 -15.255 -9.693 -0.847 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -15.694 -11.129 1.429 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -17.163 -11.572 0.584 1.00 0.00 H new TER 1307 ASP B 13