USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 ILE N :NH3+ -169:sc= -3.99 (180deg=-3.48) USER MOD Set 2.2: A 21 ASN : amide:sc= -3.47 K(o=-7.5,f=-18!) USER MOD Single : A 4 HIS : no HE2:sc= -0.113 K(o=-0.11,f=-2.7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 6 THR OG1 : rot 69:sc= 0.622 USER MOD Single : A 8 THR OG1 : rot -79:sc= 0.61 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 15 THR OG1 : rot 28:sc= -6.94! USER MOD Single : A 27 MET CE :methyl 141:sc= -3.45 (180deg=-6.37!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.76) USER MOD Single : A 47 THR OG1 : rot -42:sc= 0.00163 USER MOD Single : A 50 SER OG : rot 180:sc= -0.072 USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -0.0262 (180deg=-0.231) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 167:sc= -0.0579 USER MOD Single : A 61 SER OG : rot -39:sc= 0.992 USER MOD Single : A 62 THR OG1 : rot 63:sc= 0.97 USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= -1.25 (180deg=-4.41) USER MOD Single : A 66 ASN : amide:sc= -9.01! C(o=-9!,f=-21!) USER MOD Single : A 68 HIS : no HE2:sc= -0.942 X(o=-0.94,f=-1.3) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.204 10.190 0.242 1.00 0.00 N ATOM 2 CA ILE A 1 -0.366 11.293 1.224 1.00 0.00 C ATOM 3 C ILE A 1 -1.048 10.808 2.504 1.00 0.00 C ATOM 4 O ILE A 1 -1.284 11.594 3.422 1.00 0.00 O ATOM 5 CB ILE A 1 -1.190 12.455 0.627 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.585 12.905 -0.704 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.257 13.622 1.603 1.00 0.00 C ATOM 8 CD1 ILE A 1 -1.159 12.184 -1.905 1.00 0.00 C ATOM 0 H1 ILE A 1 0.421 10.501 -0.529 1.00 0.00 H new ATOM 0 H2 ILE A 1 0.214 9.363 0.714 1.00 0.00 H new ATOM 0 H3 ILE A 1 -1.133 9.933 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 1 0.636 11.647 1.466 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.205 12.101 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.746 13.976 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.493 12.746 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -1.842 14.430 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.729 13.295 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.249 13.977 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -0.683 12.554 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -0.975 11.114 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.233 12.364 -1.958 1.00 0.00 H new ATOM 22 N VAL A 2 -1.368 9.516 2.564 1.00 0.00 N ATOM 23 CA VAL A 2 -2.027 8.954 3.740 1.00 0.00 C ATOM 24 C VAL A 2 -1.819 7.437 3.828 1.00 0.00 C ATOM 25 O VAL A 2 -1.013 6.877 3.092 1.00 0.00 O ATOM 26 CB VAL A 2 -3.540 9.269 3.747 1.00 0.00 C ATOM 27 CG1 VAL A 2 -3.927 9.999 5.019 1.00 0.00 C ATOM 28 CG2 VAL A 2 -3.937 10.089 2.523 1.00 0.00 C ATOM 0 H VAL A 2 -1.183 8.845 1.819 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.568 9.423 4.610 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.079 8.322 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.996 10.212 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.692 9.376 5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.371 10.934 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.007 10.296 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.386 11.029 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.702 9.529 1.618 1.00 0.00 H new ATOM 38 N CYS A 3 -2.536 6.775 4.742 1.00 0.00 N ATOM 39 CA CYS A 3 -2.396 5.325 4.913 1.00 0.00 C ATOM 40 C CYS A 3 -2.936 4.555 3.705 1.00 0.00 C ATOM 41 O CYS A 3 -2.228 4.375 2.714 1.00 0.00 O ATOM 42 CB CYS A 3 -3.081 4.855 6.208 1.00 0.00 C ATOM 43 SG CYS A 3 -1.927 4.429 7.556 1.00 0.00 S ATOM 0 H CYS A 3 -3.211 7.214 5.368 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.330 5.110 4.989 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.753 5.640 6.555 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.697 3.984 5.984 1.00 0.00 H new ATOM 48 N HIS A 4 -4.185 4.100 3.784 1.00 0.00 N ATOM 49 CA HIS A 4 -4.795 3.351 2.688 1.00 0.00 C ATOM 50 C HIS A 4 -6.201 3.870 2.399 1.00 0.00 C ATOM 51 O HIS A 4 -7.019 4.006 3.309 1.00 0.00 O ATOM 52 CB HIS A 4 -4.837 1.858 3.008 1.00 0.00 C ATOM 53 CG HIS A 4 -4.813 1.569 4.468 1.00 0.00 C ATOM 54 ND1 HIS A 4 -5.594 2.245 5.370 1.00 0.00 N ATOM 55 CD2 HIS A 4 -4.075 0.693 5.181 1.00 0.00 C ATOM 56 CE1 HIS A 4 -5.338 1.802 6.587 1.00 0.00 C ATOM 57 NE2 HIS A 4 -4.418 0.856 6.501 1.00 0.00 N ATOM 0 H HIS A 4 -4.792 4.236 4.592 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.182 3.495 1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.738 1.425 2.574 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.987 1.367 2.533 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -6.267 2.975 5.137 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.351 -0.005 4.788 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.801 2.152 7.498 1.00 0.00 H new ATOM 66 N THR A 5 -6.463 4.168 1.124 1.00 0.00 N ATOM 67 CA THR A 5 -7.756 4.688 0.688 1.00 0.00 C ATOM 68 C THR A 5 -8.910 4.041 1.464 1.00 0.00 C ATOM 69 O THR A 5 -9.459 4.648 2.384 1.00 0.00 O ATOM 70 CB THR A 5 -7.901 4.488 -0.835 1.00 0.00 C ATOM 71 OG1 THR A 5 -7.418 5.627 -1.529 1.00 0.00 O ATOM 72 CG2 THR A 5 -9.325 4.256 -1.302 1.00 0.00 C ATOM 0 H THR A 5 -5.786 4.055 0.369 1.00 0.00 H new ATOM 0 HA THR A 5 -7.802 5.756 0.903 1.00 0.00 H new ATOM 0 HB THR A 5 -7.321 3.591 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.514 5.487 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.336 4.125 -2.384 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.723 3.361 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.940 5.115 -1.034 1.00 0.00 H new ATOM 80 N THR A 6 -9.258 2.809 1.103 1.00 0.00 N ATOM 81 CA THR A 6 -10.334 2.078 1.777 1.00 0.00 C ATOM 82 C THR A 6 -11.529 2.984 2.079 1.00 0.00 C ATOM 83 O THR A 6 -12.128 2.902 3.151 1.00 0.00 O ATOM 84 CB THR A 6 -9.816 1.459 3.079 1.00 0.00 C ATOM 85 OG1 THR A 6 -9.728 2.439 4.098 1.00 0.00 O ATOM 86 CG2 THR A 6 -8.450 0.815 2.942 1.00 0.00 C ATOM 0 H THR A 6 -8.811 2.292 0.346 1.00 0.00 H new ATOM 0 HA THR A 6 -10.668 1.289 1.103 1.00 0.00 H new ATOM 0 HB THR A 6 -10.538 0.683 3.334 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.629 2.725 4.355 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.147 0.398 3.902 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.496 0.019 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.724 1.565 2.627 1.00 0.00 H new ATOM 94 N ALA A 7 -11.868 3.848 1.129 1.00 0.00 N ATOM 95 CA ALA A 7 -12.987 4.767 1.299 1.00 0.00 C ATOM 96 C ALA A 7 -13.969 4.661 0.138 1.00 0.00 C ATOM 97 O ALA A 7 -15.174 4.530 0.347 1.00 0.00 O ATOM 98 CB ALA A 7 -12.477 6.192 1.430 1.00 0.00 C ATOM 0 H ALA A 7 -11.385 3.931 0.235 1.00 0.00 H new ATOM 0 HA ALA A 7 -13.516 4.493 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -13.321 6.870 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.820 6.265 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.924 6.465 0.531 1.00 0.00 H new ATOM 104 N THR A 8 -13.440 4.711 -1.084 1.00 0.00 N ATOM 105 CA THR A 8 -14.251 4.611 -2.302 1.00 0.00 C ATOM 106 C THR A 8 -14.914 5.942 -2.662 1.00 0.00 C ATOM 107 O THR A 8 -14.804 6.406 -3.797 1.00 0.00 O ATOM 108 CB THR A 8 -15.323 3.516 -2.175 1.00 0.00 C ATOM 109 OG1 THR A 8 -16.499 4.023 -1.567 1.00 0.00 O ATOM 110 CG2 THR A 8 -14.872 2.313 -1.373 1.00 0.00 C ATOM 0 H THR A 8 -12.441 4.821 -1.260 1.00 0.00 H new ATOM 0 HA THR A 8 -13.566 4.343 -3.106 1.00 0.00 H new ATOM 0 HB THR A 8 -15.516 3.194 -3.198 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.367 4.081 -0.598 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.680 1.583 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.003 1.862 -1.851 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.608 2.627 -0.363 1.00 0.00 H new ATOM 118 N SER A 9 -15.618 6.548 -1.706 1.00 0.00 N ATOM 119 CA SER A 9 -16.305 7.813 -1.958 1.00 0.00 C ATOM 120 C SER A 9 -15.388 9.018 -1.722 1.00 0.00 C ATOM 121 O SER A 9 -14.996 9.692 -2.674 1.00 0.00 O ATOM 122 CB SER A 9 -17.565 7.920 -1.094 1.00 0.00 C ATOM 123 OG SER A 9 -18.724 7.579 -1.837 1.00 0.00 O ATOM 0 H SER A 9 -15.727 6.187 -0.758 1.00 0.00 H new ATOM 0 HA SER A 9 -16.595 7.824 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.475 7.260 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.661 8.936 -0.710 1.00 0.00 H new ATOM 0 HG SER A 9 -19.514 7.654 -1.263 1.00 0.00 H new ATOM 129 N PRO A 10 -15.036 9.318 -0.457 1.00 0.00 N ATOM 130 CA PRO A 10 -14.170 10.458 -0.138 1.00 0.00 C ATOM 131 C PRO A 10 -12.708 10.200 -0.490 1.00 0.00 C ATOM 132 O PRO A 10 -12.049 11.040 -1.102 1.00 0.00 O ATOM 133 CB PRO A 10 -14.337 10.614 1.374 1.00 0.00 C ATOM 134 CG PRO A 10 -14.671 9.246 1.861 1.00 0.00 C ATOM 135 CD PRO A 10 -15.454 8.586 0.758 1.00 0.00 C ATOM 0 HA PRO A 10 -14.442 11.347 -0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.423 10.987 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.129 11.324 1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.766 8.682 2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.256 9.292 2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.223 7.523 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.528 8.668 0.925 1.00 0.00 H new ATOM 143 N ILE A 11 -12.211 9.034 -0.099 1.00 0.00 N ATOM 144 CA ILE A 11 -10.831 8.660 -0.368 1.00 0.00 C ATOM 145 C ILE A 11 -9.854 9.604 0.322 1.00 0.00 C ATOM 146 O ILE A 11 -9.999 10.824 0.257 1.00 0.00 O ATOM 147 CB ILE A 11 -10.535 8.647 -1.881 1.00 0.00 C ATOM 148 CG1 ILE A 11 -11.613 7.855 -2.628 1.00 0.00 C ATOM 149 CG2 ILE A 11 -9.154 8.060 -2.147 1.00 0.00 C ATOM 150 CD1 ILE A 11 -12.557 8.726 -3.428 1.00 0.00 C ATOM 0 H ILE A 11 -12.746 8.329 0.408 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.697 7.654 0.030 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.547 9.673 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.131 7.144 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.190 7.274 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.960 8.058 -3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.399 8.663 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.114 7.038 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -13.293 8.099 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.067 9.420 -2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.992 9.288 -4.171 1.00 0.00 H new ATOM 162 N SER A 12 -8.853 9.023 0.973 1.00 0.00 N ATOM 163 CA SER A 12 -7.826 9.796 1.671 1.00 0.00 C ATOM 164 C SER A 12 -8.372 10.516 2.903 1.00 0.00 C ATOM 165 O SER A 12 -9.576 10.743 3.027 1.00 0.00 O ATOM 166 CB SER A 12 -7.176 10.805 0.720 1.00 0.00 C ATOM 167 OG SER A 12 -5.956 10.301 0.202 1.00 0.00 O ATOM 0 H SER A 12 -8.728 8.012 1.033 1.00 0.00 H new ATOM 0 HA SER A 12 -7.075 9.085 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.858 11.029 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.992 11.741 1.247 1.00 0.00 H new ATOM 0 HG SER A 12 -5.560 10.962 -0.404 1.00 0.00 H new ATOM 173 N ALA A 13 -7.461 10.873 3.808 1.00 0.00 N ATOM 174 CA ALA A 13 -7.812 11.571 5.041 1.00 0.00 C ATOM 175 C ALA A 13 -6.563 12.187 5.680 1.00 0.00 C ATOM 176 O ALA A 13 -6.232 13.343 5.415 1.00 0.00 O ATOM 177 CB ALA A 13 -8.508 10.620 6.006 1.00 0.00 C ATOM 0 H ALA A 13 -6.463 10.687 3.706 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.503 12.380 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.764 11.154 6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.417 10.234 5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.842 9.791 6.244 1.00 0.00 H new ATOM 183 N VAL A 14 -5.862 11.409 6.508 1.00 0.00 N ATOM 184 CA VAL A 14 -4.639 11.881 7.160 1.00 0.00 C ATOM 185 C VAL A 14 -3.935 10.746 7.897 1.00 0.00 C ATOM 186 O VAL A 14 -4.577 9.805 8.360 1.00 0.00 O ATOM 187 CB VAL A 14 -4.907 13.026 8.156 1.00 0.00 C ATOM 188 CG1 VAL A 14 -4.761 14.373 7.467 1.00 0.00 C ATOM 189 CG2 VAL A 14 -6.281 12.882 8.791 1.00 0.00 C ATOM 0 H VAL A 14 -6.120 10.450 6.742 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.000 12.258 6.362 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.166 12.969 8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.953 15.171 8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.749 14.473 7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.476 14.442 6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.447 13.702 9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.045 12.907 8.014 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.338 11.933 9.325 1.00 0.00 H new ATOM 199 N THR A 15 -2.612 10.849 8.003 1.00 0.00 N ATOM 200 CA THR A 15 -1.811 9.835 8.689 1.00 0.00 C ATOM 201 C THR A 15 -0.349 10.280 8.862 1.00 0.00 C ATOM 202 O THR A 15 0.023 10.795 9.916 1.00 0.00 O ATOM 203 CB THR A 15 -1.867 8.505 7.937 1.00 0.00 C ATOM 204 OG1 THR A 15 -2.000 8.716 6.547 1.00 0.00 O ATOM 205 CG2 THR A 15 -3.010 7.616 8.377 1.00 0.00 C ATOM 0 H THR A 15 -2.070 11.625 7.622 1.00 0.00 H new ATOM 0 HA THR A 15 -2.240 9.703 9.682 1.00 0.00 H new ATOM 0 HB THR A 15 -0.927 8.005 8.170 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.598 9.577 6.307 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.991 6.689 7.804 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.907 7.389 9.438 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.956 8.129 8.207 1.00 0.00 H new ATOM 213 N CYS A 16 0.476 10.078 7.828 1.00 0.00 N ATOM 214 CA CYS A 16 1.894 10.460 7.885 1.00 0.00 C ATOM 215 C CYS A 16 2.069 11.933 7.517 1.00 0.00 C ATOM 216 O CYS A 16 1.450 12.420 6.572 1.00 0.00 O ATOM 217 CB CYS A 16 2.737 9.584 6.938 1.00 0.00 C ATOM 218 SG CYS A 16 4.442 9.241 7.513 1.00 0.00 S ATOM 0 H CYS A 16 0.189 9.654 6.945 1.00 0.00 H new ATOM 0 HA CYS A 16 2.241 10.305 8.907 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.222 8.635 6.790 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.789 10.073 5.965 1.00 0.00 H new ATOM 223 N PRO A 17 2.919 12.666 8.260 1.00 0.00 N ATOM 224 CA PRO A 17 3.175 14.089 8.007 1.00 0.00 C ATOM 225 C PRO A 17 3.509 14.367 6.539 1.00 0.00 C ATOM 226 O PRO A 17 3.503 13.456 5.713 1.00 0.00 O ATOM 227 CB PRO A 17 4.382 14.412 8.905 1.00 0.00 C ATOM 228 CG PRO A 17 4.876 13.098 9.416 1.00 0.00 C ATOM 229 CD PRO A 17 3.696 12.176 9.404 1.00 0.00 C ATOM 0 HA PRO A 17 2.299 14.701 8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.159 14.930 8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.093 15.067 9.727 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.678 12.712 8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.281 13.199 10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.995 11.136 9.275 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.129 12.231 10.333 1.00 0.00 H new ATOM 237 N PRO A 18 3.804 15.639 6.193 1.00 0.00 N ATOM 238 CA PRO A 18 4.138 16.029 4.819 1.00 0.00 C ATOM 239 C PRO A 18 5.056 15.025 4.127 1.00 0.00 C ATOM 240 O PRO A 18 6.197 14.819 4.540 1.00 0.00 O ATOM 241 CB PRO A 18 4.843 17.369 5.010 1.00 0.00 C ATOM 242 CG PRO A 18 4.193 17.957 6.215 1.00 0.00 C ATOM 243 CD PRO A 18 3.836 16.797 7.112 1.00 0.00 C ATOM 0 HA PRO A 18 3.258 16.077 4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.915 17.237 5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.720 18.011 4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.867 18.648 6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.304 18.524 5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.574 16.660 7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.872 16.949 7.598 1.00 0.00 H new ATOM 251 N GLY A 19 4.540 14.399 3.075 1.00 0.00 N ATOM 252 CA GLY A 19 5.307 13.415 2.334 1.00 0.00 C ATOM 253 C GLY A 19 4.427 12.587 1.421 1.00 0.00 C ATOM 254 O GLY A 19 3.620 13.133 0.668 1.00 0.00 O ATOM 0 H GLY A 19 3.597 14.557 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.071 13.920 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.826 12.758 3.032 1.00 0.00 H new ATOM 258 N GLU A 20 4.570 11.268 1.487 1.00 0.00 N ATOM 259 CA GLU A 20 3.768 10.381 0.656 1.00 0.00 C ATOM 260 C GLU A 20 2.698 9.669 1.493 1.00 0.00 C ATOM 261 O GLU A 20 2.046 10.294 2.330 1.00 0.00 O ATOM 262 CB GLU A 20 4.665 9.381 -0.080 1.00 0.00 C ATOM 263 CG GLU A 20 5.735 10.048 -0.931 1.00 0.00 C ATOM 264 CD GLU A 20 5.565 9.766 -2.411 1.00 0.00 C ATOM 265 OE1 GLU A 20 5.194 8.626 -2.760 1.00 0.00 O ATOM 266 OE2 GLU A 20 5.806 10.686 -3.221 1.00 0.00 O ATOM 0 H GLU A 20 5.229 10.793 2.103 1.00 0.00 H new ATOM 0 HA GLU A 20 3.251 10.980 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.145 8.728 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.046 8.748 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.707 11.125 -0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.717 9.702 -0.610 1.00 0.00 H new ATOM 273 N ASN A 21 2.491 8.375 1.251 1.00 0.00 N ATOM 274 CA ASN A 21 1.467 7.615 1.967 1.00 0.00 C ATOM 275 C ASN A 21 2.006 6.940 3.232 1.00 0.00 C ATOM 276 O ASN A 21 3.007 6.225 3.186 1.00 0.00 O ATOM 277 CB ASN A 21 0.877 6.554 1.032 1.00 0.00 C ATOM 278 CG ASN A 21 0.783 7.034 -0.404 1.00 0.00 C ATOM 279 OD1 ASN A 21 -0.103 7.811 -0.756 1.00 0.00 O ATOM 280 ND2 ASN A 21 1.706 6.578 -1.239 1.00 0.00 N ATOM 0 H ASN A 21 3.017 7.832 0.566 1.00 0.00 H new ATOM 0 HA ASN A 21 0.699 8.321 2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.493 5.656 1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.116 6.275 1.384 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.699 6.871 -2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.423 5.934 -0.904 1.00 0.00 H new ATOM 287 N LEU A 22 1.307 7.144 4.355 1.00 0.00 N ATOM 288 CA LEU A 22 1.687 6.525 5.627 1.00 0.00 C ATOM 289 C LEU A 22 1.792 5.016 5.427 1.00 0.00 C ATOM 290 O LEU A 22 2.866 4.488 5.148 1.00 0.00 O ATOM 291 CB LEU A 22 0.640 6.857 6.716 1.00 0.00 C ATOM 292 CG LEU A 22 0.866 6.284 8.138 1.00 0.00 C ATOM 293 CD1 LEU A 22 1.907 5.175 8.168 1.00 0.00 C ATOM 294 CD2 LEU A 22 1.250 7.387 9.113 1.00 0.00 C ATOM 0 H LEU A 22 0.476 7.733 4.407 1.00 0.00 H new ATOM 0 HA LEU A 22 2.650 6.916 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.576 7.942 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.331 6.507 6.365 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.083 5.845 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.023 4.812 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.584 4.355 7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.861 5.562 7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.403 6.960 10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.171 7.865 8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.452 8.128 9.157 1.00 0.00 H new ATOM 306 N CYS A 23 0.658 4.338 5.549 1.00 0.00 N ATOM 307 CA CYS A 23 0.592 2.902 5.361 1.00 0.00 C ATOM 308 C CYS A 23 1.074 2.537 3.968 1.00 0.00 C ATOM 309 O CYS A 23 0.272 2.292 3.065 1.00 0.00 O ATOM 310 CB CYS A 23 -0.838 2.409 5.539 1.00 0.00 C ATOM 311 SG CYS A 23 -1.467 2.473 7.249 1.00 0.00 S ATOM 0 H CYS A 23 -0.237 4.770 5.780 1.00 0.00 H new ATOM 0 HA CYS A 23 1.232 2.428 6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.494 3.005 4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.899 1.380 5.184 1.00 0.00 H new ATOM 316 N TYR A 24 2.382 2.516 3.793 1.00 0.00 N ATOM 317 CA TYR A 24 2.963 2.195 2.501 1.00 0.00 C ATOM 318 C TYR A 24 2.521 0.820 2.051 1.00 0.00 C ATOM 319 O TYR A 24 1.845 0.101 2.785 1.00 0.00 O ATOM 320 CB TYR A 24 4.498 2.291 2.526 1.00 0.00 C ATOM 321 CG TYR A 24 5.213 1.307 3.442 1.00 0.00 C ATOM 322 CD1 TYR A 24 4.922 -0.056 3.434 1.00 0.00 C ATOM 323 CD2 TYR A 24 6.205 1.754 4.307 1.00 0.00 C ATOM 324 CE1 TYR A 24 5.593 -0.934 4.264 1.00 0.00 C ATOM 325 CE2 TYR A 24 6.879 0.880 5.138 1.00 0.00 C ATOM 326 CZ TYR A 24 6.570 -0.462 5.113 1.00 0.00 C ATOM 327 OH TYR A 24 7.240 -1.334 5.940 1.00 0.00 O ATOM 0 H TYR A 24 3.062 2.717 4.527 1.00 0.00 H new ATOM 0 HA TYR A 24 2.603 2.932 1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.868 2.147 1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.774 3.302 2.825 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.159 -0.432 2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.454 2.805 4.330 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.352 -1.987 4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.645 1.248 5.805 1.00 0.00 H new ATOM 0 HH TYR A 24 7.897 -0.840 6.473 1.00 0.00 H new ATOM 337 N ARG A 25 2.907 0.455 0.844 1.00 0.00 N ATOM 338 CA ARG A 25 2.552 -0.835 0.306 1.00 0.00 C ATOM 339 C ARG A 25 3.685 -1.346 -0.574 1.00 0.00 C ATOM 340 O ARG A 25 3.503 -1.567 -1.768 1.00 0.00 O ATOM 341 CB ARG A 25 1.239 -0.752 -0.492 1.00 0.00 C ATOM 342 CG ARG A 25 0.730 0.671 -0.731 1.00 0.00 C ATOM 343 CD ARG A 25 0.320 0.881 -2.180 1.00 0.00 C ATOM 344 NE ARG A 25 1.428 1.377 -2.994 1.00 0.00 N ATOM 345 CZ ARG A 25 1.426 1.381 -4.326 1.00 0.00 C ATOM 346 NH1 ARG A 25 0.375 0.922 -4.996 1.00 0.00 N ATOM 347 NH2 ARG A 25 2.475 1.846 -4.990 1.00 0.00 N ATOM 0 H ARG A 25 3.467 1.037 0.220 1.00 0.00 H new ATOM 0 HA ARG A 25 2.396 -1.532 1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.383 -1.239 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.471 -1.315 0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.121 0.868 -0.079 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.508 1.386 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.042 -0.060 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.508 1.589 -2.224 1.00 0.00 H new ATOM 0 HE ARG A 25 2.251 1.741 -2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.436 0.564 -4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.378 0.927 -6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.284 2.201 -4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.473 1.849 -6.010 1.00 0.00 H new ATOM 361 N LYS A 26 4.863 -1.515 0.027 1.00 0.00 N ATOM 362 CA LYS A 26 6.039 -1.987 -0.706 1.00 0.00 C ATOM 363 C LYS A 26 6.207 -3.492 -0.559 1.00 0.00 C ATOM 364 O LYS A 26 6.446 -3.991 0.532 1.00 0.00 O ATOM 365 CB LYS A 26 7.305 -1.270 -0.227 1.00 0.00 C ATOM 366 CG LYS A 26 7.528 -1.341 1.276 1.00 0.00 C ATOM 367 CD LYS A 26 9.004 -1.475 1.616 1.00 0.00 C ATOM 368 CE LYS A 26 9.226 -1.524 3.120 1.00 0.00 C ATOM 369 NZ LYS A 26 9.020 -2.892 3.671 1.00 0.00 N ATOM 0 H LYS A 26 5.029 -1.333 1.017 1.00 0.00 H new ATOM 0 HA LYS A 26 5.884 -1.757 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.168 -1.703 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.252 -0.223 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.125 -0.444 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.981 -2.190 1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.403 -2.380 1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.554 -0.634 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.238 -1.190 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.544 -0.829 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.181 -2.880 4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.046 -3.201 3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.688 -3.551 3.223 1.00 0.00 H new ATOM 383 N MET A 27 6.088 -4.214 -1.669 1.00 0.00 N ATOM 384 CA MET A 27 6.212 -5.671 -1.656 1.00 0.00 C ATOM 385 C MET A 27 7.344 -6.135 -0.744 1.00 0.00 C ATOM 386 O MET A 27 8.418 -5.545 -0.739 1.00 0.00 O ATOM 387 CB MET A 27 6.445 -6.181 -3.079 1.00 0.00 C ATOM 388 CG MET A 27 5.561 -7.358 -3.451 1.00 0.00 C ATOM 389 SD MET A 27 5.483 -7.633 -5.231 1.00 0.00 S ATOM 390 CE MET A 27 4.092 -6.595 -5.670 1.00 0.00 C ATOM 0 H MET A 27 5.906 -3.815 -2.590 1.00 0.00 H new ATOM 0 HA MET A 27 5.282 -6.083 -1.264 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.268 -5.367 -3.782 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.490 -6.473 -3.186 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.937 -8.258 -2.964 1.00 0.00 H new ATOM 0 HG3 MET A 27 4.555 -7.186 -3.069 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.294 -6.098 -6.619 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.196 -7.208 -5.765 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.938 -5.845 -4.894 1.00 0.00 H new ATOM 400 N TRP A 28 7.086 -7.197 0.022 1.00 0.00 N ATOM 401 CA TRP A 28 8.073 -7.762 0.949 1.00 0.00 C ATOM 402 C TRP A 28 7.376 -8.567 2.046 1.00 0.00 C ATOM 403 O TRP A 28 7.232 -8.101 3.175 1.00 0.00 O ATOM 404 CB TRP A 28 8.941 -6.656 1.575 1.00 0.00 C ATOM 405 CG TRP A 28 9.694 -7.088 2.799 1.00 0.00 C ATOM 406 CD1 TRP A 28 9.534 -6.610 4.068 1.00 0.00 C ATOM 407 CD2 TRP A 28 10.723 -8.082 2.872 1.00 0.00 C ATOM 408 NE1 TRP A 28 10.398 -7.246 4.925 1.00 0.00 N ATOM 409 CE2 TRP A 28 11.139 -8.154 4.215 1.00 0.00 C ATOM 410 CE3 TRP A 28 11.332 -8.921 1.933 1.00 0.00 C ATOM 411 CZ2 TRP A 28 12.135 -9.029 4.641 1.00 0.00 C ATOM 412 CZ3 TRP A 28 12.320 -9.789 2.357 1.00 0.00 C ATOM 413 CH2 TRP A 28 12.714 -9.837 3.701 1.00 0.00 C ATOM 0 H TRP A 28 6.192 -7.689 0.019 1.00 0.00 H new ATOM 0 HA TRP A 28 8.724 -8.427 0.381 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.653 -6.302 0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.303 -5.811 1.833 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.830 -5.843 4.356 1.00 0.00 H new ATOM 0 HE1 TRP A 28 10.476 -7.071 5.927 1.00 0.00 H new ATOM 0 HE3 TRP A 28 11.035 -8.891 0.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.440 -9.068 5.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.797 -10.442 1.640 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.490 -10.526 4.001 1.00 0.00 H new ATOM 424 N CYS A 29 6.946 -9.779 1.709 1.00 0.00 N ATOM 425 CA CYS A 29 6.272 -10.641 2.672 1.00 0.00 C ATOM 426 C CYS A 29 6.637 -12.103 2.449 1.00 0.00 C ATOM 427 O CYS A 29 6.339 -12.676 1.401 1.00 0.00 O ATOM 428 CB CYS A 29 4.755 -10.463 2.583 1.00 0.00 C ATOM 429 SG CYS A 29 3.922 -10.381 4.202 1.00 0.00 S ATOM 0 H CYS A 29 7.052 -10.185 0.779 1.00 0.00 H new ATOM 0 HA CYS A 29 6.605 -10.351 3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.539 -9.550 2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.335 -11.291 2.011 1.00 0.00 H new ATOM 434 N ASP A 30 7.284 -12.700 3.443 1.00 0.00 N ATOM 435 CA ASP A 30 7.692 -14.096 3.362 1.00 0.00 C ATOM 436 C ASP A 30 7.989 -14.651 4.751 1.00 0.00 C ATOM 437 O ASP A 30 8.849 -15.517 4.914 1.00 0.00 O ATOM 438 CB ASP A 30 8.924 -14.238 2.466 1.00 0.00 C ATOM 439 CG ASP A 30 10.058 -13.329 2.897 1.00 0.00 C ATOM 440 OD1 ASP A 30 10.874 -13.757 3.739 1.00 0.00 O ATOM 441 OD2 ASP A 30 10.129 -12.189 2.391 1.00 0.00 O ATOM 0 H ASP A 30 7.537 -12.237 4.316 1.00 0.00 H new ATOM 0 HA ASP A 30 6.872 -14.668 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.265 -15.273 2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.650 -14.009 1.436 1.00 0.00 H new ATOM 446 N ALA A 31 7.273 -14.145 5.749 1.00 0.00 N ATOM 447 CA ALA A 31 7.460 -14.589 7.124 1.00 0.00 C ATOM 448 C ALA A 31 6.128 -14.656 7.864 1.00 0.00 C ATOM 449 O ALA A 31 5.727 -13.702 8.530 1.00 0.00 O ATOM 450 CB ALA A 31 8.424 -13.663 7.849 1.00 0.00 C ATOM 0 H ALA A 31 6.558 -13.427 5.631 1.00 0.00 H new ATOM 0 HA ALA A 31 7.884 -15.593 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.555 -14.006 8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.387 -13.669 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.022 -12.650 7.853 1.00 0.00 H new ATOM 456 N PHE A 32 5.447 -15.790 7.741 1.00 0.00 N ATOM 457 CA PHE A 32 4.158 -15.986 8.398 1.00 0.00 C ATOM 458 C PHE A 32 3.118 -15.013 7.851 1.00 0.00 C ATOM 459 O PHE A 32 2.359 -14.409 8.611 1.00 0.00 O ATOM 460 CB PHE A 32 4.288 -15.806 9.916 1.00 0.00 C ATOM 461 CG PHE A 32 5.657 -16.117 10.453 1.00 0.00 C ATOM 462 CD1 PHE A 32 6.274 -17.322 10.158 1.00 0.00 C ATOM 463 CD2 PHE A 32 6.325 -15.203 11.251 1.00 0.00 C ATOM 464 CE1 PHE A 32 7.533 -17.609 10.650 1.00 0.00 C ATOM 465 CE2 PHE A 32 7.584 -15.484 11.746 1.00 0.00 C ATOM 466 CZ PHE A 32 8.190 -16.689 11.444 1.00 0.00 C ATOM 0 H PHE A 32 5.766 -16.589 7.192 1.00 0.00 H new ATOM 0 HA PHE A 32 3.830 -17.005 8.191 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.033 -14.778 10.173 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.560 -16.448 10.411 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.766 -18.045 9.537 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.856 -14.260 11.489 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.003 -18.552 10.414 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.094 -14.763 12.368 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.175 -16.911 11.828 1.00 0.00 H new ATOM 476 N CYS A 33 3.082 -14.863 6.530 1.00 0.00 N ATOM 477 CA CYS A 33 2.127 -13.962 5.896 1.00 0.00 C ATOM 478 C CYS A 33 1.841 -14.371 4.457 1.00 0.00 C ATOM 479 O CYS A 33 1.809 -13.529 3.559 1.00 0.00 O ATOM 480 CB CYS A 33 2.637 -12.521 5.931 1.00 0.00 C ATOM 481 SG CYS A 33 4.161 -12.247 4.969 1.00 0.00 S ATOM 0 H CYS A 33 3.700 -15.351 5.882 1.00 0.00 H new ATOM 0 HA CYS A 33 1.197 -14.027 6.461 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.857 -11.862 5.551 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.818 -12.236 6.967 1.00 0.00 H new ATOM 486 N SER A 34 1.608 -15.663 4.240 1.00 0.00 N ATOM 487 CA SER A 34 1.298 -16.159 2.904 1.00 0.00 C ATOM 488 C SER A 34 0.151 -15.350 2.300 1.00 0.00 C ATOM 489 O SER A 34 0.022 -15.241 1.081 1.00 0.00 O ATOM 490 CB SER A 34 0.925 -17.642 2.959 1.00 0.00 C ATOM 491 OG SER A 34 -0.054 -17.883 3.955 1.00 0.00 O ATOM 0 H SER A 34 1.628 -16.379 4.966 1.00 0.00 H new ATOM 0 HA SER A 34 2.181 -16.046 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.547 -17.962 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.814 -18.237 3.167 1.00 0.00 H new ATOM 0 HG SER A 34 -0.277 -18.837 3.970 1.00 0.00 H new ATOM 497 N SER A 35 -0.670 -14.777 3.179 1.00 0.00 N ATOM 498 CA SER A 35 -1.805 -13.963 2.770 1.00 0.00 C ATOM 499 C SER A 35 -1.364 -12.803 1.881 1.00 0.00 C ATOM 500 O SER A 35 -2.165 -12.250 1.127 1.00 0.00 O ATOM 501 CB SER A 35 -2.516 -13.416 4.009 1.00 0.00 C ATOM 502 OG SER A 35 -3.919 -13.357 3.812 1.00 0.00 O ATOM 0 H SER A 35 -0.565 -14.866 4.190 1.00 0.00 H new ATOM 0 HA SER A 35 -2.486 -14.592 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.293 -14.049 4.868 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.136 -12.421 4.239 1.00 0.00 H new ATOM 0 HG SER A 35 -4.348 -13.005 4.620 1.00 0.00 H new ATOM 508 N ARG A 36 -0.088 -12.431 1.983 1.00 0.00 N ATOM 509 CA ARG A 36 0.465 -11.328 1.198 1.00 0.00 C ATOM 510 C ARG A 36 -0.025 -11.363 -0.246 1.00 0.00 C ATOM 511 O ARG A 36 0.255 -12.305 -0.987 1.00 0.00 O ATOM 512 CB ARG A 36 1.993 -11.368 1.228 1.00 0.00 C ATOM 513 CG ARG A 36 2.579 -12.682 0.733 1.00 0.00 C ATOM 514 CD ARG A 36 3.059 -12.573 -0.707 1.00 0.00 C ATOM 515 NE ARG A 36 4.486 -12.271 -0.787 1.00 0.00 N ATOM 516 CZ ARG A 36 5.227 -12.474 -1.876 1.00 0.00 C ATOM 517 NH1 ARG A 36 4.678 -12.973 -2.977 1.00 0.00 N ATOM 518 NH2 ARG A 36 6.518 -12.174 -1.864 1.00 0.00 N ATOM 0 H ARG A 36 0.585 -12.880 2.605 1.00 0.00 H new ATOM 0 HA ARG A 36 0.118 -10.399 1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.381 -10.554 0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.333 -11.190 2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.411 -12.974 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.827 -13.468 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.857 -13.509 -1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.494 -11.794 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 36 4.942 -11.882 0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.684 -13.203 -2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.250 -13.126 -3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.944 -11.788 -1.021 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.085 -12.329 -2.697 1.00 0.00 H new ATOM 532 N GLY A 37 -0.753 -10.323 -0.638 1.00 0.00 N ATOM 533 CA GLY A 37 -1.269 -10.244 -1.991 1.00 0.00 C ATOM 534 C GLY A 37 -0.475 -9.281 -2.851 1.00 0.00 C ATOM 535 O GLY A 37 -1.007 -8.275 -3.322 1.00 0.00 O ATOM 0 H GLY A 37 -0.995 -9.532 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.248 -11.235 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.312 -9.928 -1.963 1.00 0.00 H new ATOM 539 N LYS A 38 0.804 -9.587 -3.051 1.00 0.00 N ATOM 540 CA LYS A 38 1.678 -8.743 -3.858 1.00 0.00 C ATOM 541 C LYS A 38 1.902 -7.390 -3.183 1.00 0.00 C ATOM 542 O LYS A 38 1.959 -6.354 -3.845 1.00 0.00 O ATOM 543 CB LYS A 38 1.090 -8.548 -5.259 1.00 0.00 C ATOM 544 CG LYS A 38 1.721 -9.446 -6.312 1.00 0.00 C ATOM 545 CD LYS A 38 0.763 -9.726 -7.460 1.00 0.00 C ATOM 546 CE LYS A 38 0.302 -11.175 -7.467 1.00 0.00 C ATOM 547 NZ LYS A 38 -1.065 -11.328 -6.896 1.00 0.00 N ATOM 0 H LYS A 38 1.258 -10.415 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 38 2.642 -9.243 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.018 -8.740 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.218 -7.507 -5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.624 -8.974 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.024 -10.387 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.103 -9.069 -7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.252 -9.495 -8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.313 -11.554 -8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.004 -11.782 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.117 -12.212 -6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.272 -10.523 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.762 -11.355 -7.667 1.00 0.00 H new ATOM 561 N VAL A 39 2.029 -7.411 -1.858 1.00 0.00 N ATOM 562 CA VAL A 39 2.247 -6.188 -1.086 1.00 0.00 C ATOM 563 C VAL A 39 2.874 -6.506 0.270 1.00 0.00 C ATOM 564 O VAL A 39 3.374 -7.610 0.487 1.00 0.00 O ATOM 565 CB VAL A 39 0.936 -5.397 -0.863 1.00 0.00 C ATOM 566 CG1 VAL A 39 1.112 -3.947 -1.285 1.00 0.00 C ATOM 567 CG2 VAL A 39 -0.229 -6.040 -1.606 1.00 0.00 C ATOM 0 H VAL A 39 1.985 -8.261 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 39 2.927 -5.569 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 39 0.703 -5.421 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.181 -3.405 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.906 -3.490 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.376 -3.905 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.136 -5.462 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.013 -6.060 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.372 -7.059 -1.246 1.00 0.00 H new ATOM 577 N VAL A 40 2.845 -5.534 1.181 1.00 0.00 N ATOM 578 CA VAL A 40 3.411 -5.725 2.513 1.00 0.00 C ATOM 579 C VAL A 40 2.360 -5.515 3.603 1.00 0.00 C ATOM 580 O VAL A 40 1.693 -6.457 4.028 1.00 0.00 O ATOM 581 CB VAL A 40 4.590 -4.773 2.791 1.00 0.00 C ATOM 582 CG1 VAL A 40 5.914 -5.471 2.530 1.00 0.00 C ATOM 583 CG2 VAL A 40 4.458 -3.497 1.970 1.00 0.00 C ATOM 0 H VAL A 40 2.438 -4.612 1.021 1.00 0.00 H new ATOM 0 HA VAL A 40 3.771 -6.754 2.535 1.00 0.00 H new ATOM 0 HB VAL A 40 4.567 -4.490 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.734 -4.782 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.001 -6.341 3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.957 -5.792 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.301 -2.839 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.450 -3.746 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.528 -2.991 2.231 1.00 0.00 H new ATOM 593 N GLU A 41 2.228 -4.266 4.059 1.00 0.00 N ATOM 594 CA GLU A 41 1.272 -3.925 5.103 1.00 0.00 C ATOM 595 C GLU A 41 1.168 -2.411 5.267 1.00 0.00 C ATOM 596 O GLU A 41 0.128 -1.820 4.970 1.00 0.00 O ATOM 597 CB GLU A 41 1.672 -4.570 6.434 1.00 0.00 C ATOM 598 CG GLU A 41 3.175 -4.703 6.635 1.00 0.00 C ATOM 599 CD GLU A 41 3.627 -4.209 7.996 1.00 0.00 C ATOM 600 OE1 GLU A 41 3.941 -3.007 8.118 1.00 0.00 O ATOM 601 OE2 GLU A 41 3.668 -5.027 8.940 1.00 0.00 O ATOM 0 H GLU A 41 2.775 -3.476 3.717 1.00 0.00 H new ATOM 0 HA GLU A 41 0.297 -4.311 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.258 -3.978 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.219 -5.560 6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.463 -5.748 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.693 -4.141 5.858 1.00 0.00 H new ATOM 608 N LEU A 42 2.244 -1.781 5.744 1.00 0.00 N ATOM 609 CA LEU A 42 2.247 -0.331 5.941 1.00 0.00 C ATOM 610 C LEU A 42 3.547 0.157 6.596 1.00 0.00 C ATOM 611 O LEU A 42 4.459 -0.628 6.851 1.00 0.00 O ATOM 612 CB LEU A 42 1.054 0.076 6.812 1.00 0.00 C ATOM 613 CG LEU A 42 0.742 -0.872 7.973 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.552 -0.491 9.204 1.00 0.00 C ATOM 615 CD2 LEU A 42 -0.745 -0.857 8.289 1.00 0.00 C ATOM 0 H LEU A 42 3.115 -2.247 5.998 1.00 0.00 H new ATOM 0 HA LEU A 42 2.172 0.134 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.242 1.071 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.171 0.152 6.178 1.00 0.00 H new ATOM 0 HG LEU A 42 1.020 -1.883 7.676 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.318 -1.175 10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.615 -0.552 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.303 0.528 9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.948 -1.537 9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.048 0.153 8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.307 -1.176 7.411 1.00 0.00 H new ATOM 627 N GLY A 43 3.609 1.465 6.869 1.00 0.00 N ATOM 628 CA GLY A 43 4.782 2.062 7.497 1.00 0.00 C ATOM 629 C GLY A 43 4.703 3.583 7.540 1.00 0.00 C ATOM 630 O GLY A 43 4.311 4.160 8.553 1.00 0.00 O ATOM 0 H GLY A 43 2.859 2.125 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.884 1.677 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.676 1.762 6.951 1.00 0.00 H new ATOM 634 N CYS A 44 5.067 4.227 6.429 1.00 0.00 N ATOM 635 CA CYS A 44 5.029 5.690 6.309 1.00 0.00 C ATOM 636 C CYS A 44 5.806 6.147 5.083 1.00 0.00 C ATOM 637 O CYS A 44 6.707 6.984 5.165 1.00 0.00 O ATOM 638 CB CYS A 44 5.569 6.382 7.555 1.00 0.00 C ATOM 639 SG CYS A 44 4.334 7.419 8.422 1.00 0.00 S ATOM 0 H CYS A 44 5.396 3.753 5.588 1.00 0.00 H new ATOM 0 HA CYS A 44 3.982 5.974 6.199 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.943 5.626 8.245 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.418 7.005 7.274 1.00 0.00 H new ATOM 644 N ALA A 45 5.437 5.588 3.947 1.00 0.00 N ATOM 645 CA ALA A 45 6.073 5.914 2.672 1.00 0.00 C ATOM 646 C ALA A 45 6.162 7.419 2.475 1.00 0.00 C ATOM 647 O ALA A 45 5.202 8.147 2.727 1.00 0.00 O ATOM 648 CB ALA A 45 5.312 5.273 1.521 1.00 0.00 C ATOM 0 H ALA A 45 4.691 4.896 3.875 1.00 0.00 H new ATOM 0 HA ALA A 45 7.087 5.514 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.798 5.525 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.305 4.190 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.287 5.644 1.511 1.00 0.00 H new ATOM 654 N ALA A 46 7.322 7.876 2.026 1.00 0.00 N ATOM 655 CA ALA A 46 7.545 9.292 1.794 1.00 0.00 C ATOM 656 C ALA A 46 8.725 9.511 0.863 1.00 0.00 C ATOM 657 O ALA A 46 9.583 10.350 1.135 1.00 0.00 O ATOM 658 CB ALA A 46 7.758 10.021 3.113 1.00 0.00 C ATOM 0 H ALA A 46 8.125 7.283 1.815 1.00 0.00 H new ATOM 0 HA ALA A 46 6.657 9.702 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.924 11.081 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.876 9.900 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.627 9.605 3.623 1.00 0.00 H new ATOM 664 N THR A 47 8.742 8.742 -0.237 1.00 0.00 N ATOM 665 CA THR A 47 9.797 8.813 -1.267 1.00 0.00 C ATOM 666 C THR A 47 10.576 7.503 -1.360 1.00 0.00 C ATOM 667 O THR A 47 11.406 7.329 -2.252 1.00 0.00 O ATOM 668 CB THR A 47 10.753 9.984 -1.018 1.00 0.00 C ATOM 669 OG1 THR A 47 11.335 10.423 -2.232 1.00 0.00 O ATOM 670 CG2 THR A 47 11.881 9.666 -0.055 1.00 0.00 C ATOM 0 H THR A 47 8.022 8.049 -0.440 1.00 0.00 H new ATOM 0 HA THR A 47 9.297 8.982 -2.221 1.00 0.00 H new ATOM 0 HB THR A 47 10.133 10.760 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.581 9.646 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.513 10.545 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.465 9.380 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.477 8.844 -0.451 1.00 0.00 H new ATOM 678 N CYS A 48 10.295 6.592 -0.433 1.00 0.00 N ATOM 679 CA CYS A 48 10.949 5.277 -0.381 1.00 0.00 C ATOM 680 C CYS A 48 11.411 4.795 -1.765 1.00 0.00 C ATOM 681 O CYS A 48 10.654 4.840 -2.733 1.00 0.00 O ATOM 682 CB CYS A 48 10.000 4.234 0.232 1.00 0.00 C ATOM 683 SG CYS A 48 8.218 4.600 0.039 1.00 0.00 S ATOM 0 H CYS A 48 9.608 6.739 0.306 1.00 0.00 H new ATOM 0 HA CYS A 48 11.835 5.390 0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.208 3.265 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.223 4.142 1.295 1.00 0.00 H new ATOM 688 N PRO A 49 12.666 4.321 -1.875 1.00 0.00 N ATOM 689 CA PRO A 49 13.214 3.831 -3.136 1.00 0.00 C ATOM 690 C PRO A 49 12.890 2.347 -3.362 1.00 0.00 C ATOM 691 O PRO A 49 11.785 2.012 -3.789 1.00 0.00 O ATOM 692 CB PRO A 49 14.712 4.072 -2.953 1.00 0.00 C ATOM 693 CG PRO A 49 14.952 3.899 -1.486 1.00 0.00 C ATOM 694 CD PRO A 49 13.653 4.226 -0.782 1.00 0.00 C ATOM 0 HA PRO A 49 12.801 4.327 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.300 3.364 -3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.995 5.071 -3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.264 2.878 -1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 49 15.751 4.558 -1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.381 3.450 -0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.725 5.161 -0.227 1.00 0.00 H new ATOM 702 N SER A 50 13.842 1.459 -3.062 1.00 0.00 N ATOM 703 CA SER A 50 13.632 0.021 -3.221 1.00 0.00 C ATOM 704 C SER A 50 13.020 -0.311 -4.586 1.00 0.00 C ATOM 705 O SER A 50 13.155 0.462 -5.533 1.00 0.00 O ATOM 706 CB SER A 50 12.736 -0.497 -2.093 1.00 0.00 C ATOM 707 OG SER A 50 12.593 0.470 -1.066 1.00 0.00 O ATOM 0 H SER A 50 14.764 1.712 -2.708 1.00 0.00 H new ATOM 0 HA SER A 50 14.602 -0.473 -3.169 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.755 -0.754 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.161 -1.411 -1.679 1.00 0.00 H new ATOM 0 HG SER A 50 12.015 0.114 -0.359 1.00 0.00 H new ATOM 713 N LYS A 51 12.353 -1.470 -4.678 1.00 0.00 N ATOM 714 CA LYS A 51 11.725 -1.910 -5.927 1.00 0.00 C ATOM 715 C LYS A 51 12.762 -2.517 -6.869 1.00 0.00 C ATOM 716 O LYS A 51 12.769 -2.229 -8.066 1.00 0.00 O ATOM 717 CB LYS A 51 11.014 -0.741 -6.618 1.00 0.00 C ATOM 718 CG LYS A 51 9.988 -1.175 -7.654 1.00 0.00 C ATOM 719 CD LYS A 51 8.723 -0.332 -7.574 1.00 0.00 C ATOM 720 CE LYS A 51 8.410 0.336 -8.903 1.00 0.00 C ATOM 721 NZ LYS A 51 8.214 -0.661 -9.992 1.00 0.00 N ATOM 0 H LYS A 51 12.236 -2.119 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 51 10.987 -2.673 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.519 -0.131 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.759 -0.108 -7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.419 -1.092 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.737 -2.225 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.884 -0.961 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.841 0.429 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.511 0.944 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.223 1.011 -9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.642 -0.239 -10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.139 -0.945 -10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.724 -1.497 -9.613 1.00 0.00 H new ATOM 735 N LYS A 52 13.638 -3.361 -6.326 1.00 0.00 N ATOM 736 CA LYS A 52 14.676 -4.002 -7.133 1.00 0.00 C ATOM 737 C LYS A 52 15.268 -5.222 -6.426 1.00 0.00 C ATOM 738 O LYS A 52 15.120 -6.349 -6.897 1.00 0.00 O ATOM 739 CB LYS A 52 15.795 -3.008 -7.485 1.00 0.00 C ATOM 740 CG LYS A 52 15.581 -1.600 -6.945 1.00 0.00 C ATOM 741 CD LYS A 52 16.888 -0.826 -6.868 1.00 0.00 C ATOM 742 CE LYS A 52 16.774 0.534 -7.539 1.00 0.00 C ATOM 743 NZ LYS A 52 16.551 1.624 -6.551 1.00 0.00 N ATOM 0 H LYS A 52 13.651 -3.616 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 52 14.200 -4.339 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.739 -3.392 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.891 -2.957 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.879 -1.067 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.130 -1.654 -5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.173 -0.694 -5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.681 -1.402 -7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.684 0.737 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.951 0.518 -8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.479 2.534 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.670 1.444 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.348 1.656 -5.884 1.00 0.00 H new ATOM 757 N PRO A 53 15.960 -5.017 -5.289 1.00 0.00 N ATOM 758 CA PRO A 53 16.580 -6.116 -4.536 1.00 0.00 C ATOM 759 C PRO A 53 15.562 -7.152 -4.061 1.00 0.00 C ATOM 760 O PRO A 53 15.388 -8.193 -4.693 1.00 0.00 O ATOM 761 CB PRO A 53 17.242 -5.415 -3.341 1.00 0.00 C ATOM 762 CG PRO A 53 16.573 -4.086 -3.247 1.00 0.00 C ATOM 763 CD PRO A 53 16.203 -3.712 -4.653 1.00 0.00 C ATOM 0 HA PRO A 53 17.282 -6.678 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 53 17.108 -5.989 -2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 53 18.316 -5.305 -3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.689 -4.138 -2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.239 -3.343 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.317 -3.078 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 53 17.004 -3.164 -5.149 1.00 0.00 H new ATOM 771 N TYR A 54 14.890 -6.866 -2.949 1.00 0.00 N ATOM 772 CA TYR A 54 13.895 -7.782 -2.403 1.00 0.00 C ATOM 773 C TYR A 54 12.488 -7.234 -2.611 1.00 0.00 C ATOM 774 O TYR A 54 11.721 -7.753 -3.421 1.00 0.00 O ATOM 775 CB TYR A 54 14.144 -8.037 -0.907 1.00 0.00 C ATOM 776 CG TYR A 54 15.132 -7.083 -0.269 1.00 0.00 C ATOM 777 CD1 TYR A 54 16.500 -7.286 -0.392 1.00 0.00 C ATOM 778 CD2 TYR A 54 14.693 -5.980 0.454 1.00 0.00 C ATOM 779 CE1 TYR A 54 17.405 -6.418 0.187 1.00 0.00 C ATOM 780 CE2 TYR A 54 15.593 -5.106 1.035 1.00 0.00 C ATOM 781 CZ TYR A 54 16.946 -5.329 0.899 1.00 0.00 C ATOM 782 OH TYR A 54 17.845 -4.462 1.475 1.00 0.00 O ATOM 0 H TYR A 54 15.016 -6.009 -2.410 1.00 0.00 H new ATOM 0 HA TYR A 54 13.986 -8.729 -2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.195 -7.968 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.507 -9.057 -0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 54 16.863 -8.137 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 54 13.633 -5.803 0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 54 18.466 -6.591 0.083 1.00 0.00 H new ATOM 0 HE2 TYR A 54 15.237 -4.252 1.593 1.00 0.00 H new ATOM 0 HH TYR A 54 17.360 -3.748 1.939 1.00 0.00 H new ATOM 792 N GLU A 55 12.159 -6.178 -1.876 1.00 0.00 N ATOM 793 CA GLU A 55 10.847 -5.554 -1.982 1.00 0.00 C ATOM 794 C GLU A 55 10.601 -5.060 -3.404 1.00 0.00 C ATOM 795 O GLU A 55 11.533 -4.971 -4.203 1.00 0.00 O ATOM 796 CB GLU A 55 10.736 -4.390 -0.998 1.00 0.00 C ATOM 797 CG GLU A 55 11.880 -3.397 -1.098 1.00 0.00 C ATOM 798 CD GLU A 55 12.352 -2.913 0.258 1.00 0.00 C ATOM 799 OE1 GLU A 55 11.554 -2.965 1.217 1.00 0.00 O ATOM 800 OE2 GLU A 55 13.520 -2.482 0.361 1.00 0.00 O ATOM 0 H GLU A 55 12.783 -5.737 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 55 10.090 -6.300 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.796 -3.867 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.697 -4.786 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.714 -3.861 -1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.563 -2.542 -1.695 1.00 0.00 H new ATOM 807 N GLU A 56 9.346 -4.742 -3.724 1.00 0.00 N ATOM 808 CA GLU A 56 9.019 -4.264 -5.063 1.00 0.00 C ATOM 809 C GLU A 56 8.337 -2.894 -5.045 1.00 0.00 C ATOM 810 O GLU A 56 8.999 -1.871 -5.205 1.00 0.00 O ATOM 811 CB GLU A 56 8.153 -5.275 -5.808 1.00 0.00 C ATOM 812 CG GLU A 56 8.655 -6.707 -5.704 1.00 0.00 C ATOM 813 CD GLU A 56 8.457 -7.487 -6.989 1.00 0.00 C ATOM 814 OE1 GLU A 56 9.102 -7.138 -8.001 1.00 0.00 O ATOM 815 OE2 GLU A 56 7.657 -8.446 -6.984 1.00 0.00 O ATOM 0 H GLU A 56 8.553 -4.806 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 56 9.965 -4.150 -5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.137 -5.227 -5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.104 -4.992 -6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.714 -6.699 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.134 -7.213 -4.892 1.00 0.00 H new ATOM 822 N VAL A 57 7.015 -2.864 -4.863 1.00 0.00 N ATOM 823 CA VAL A 57 6.295 -1.595 -4.850 1.00 0.00 C ATOM 824 C VAL A 57 6.820 -0.698 -3.733 1.00 0.00 C ATOM 825 O VAL A 57 7.503 -1.169 -2.828 1.00 0.00 O ATOM 826 CB VAL A 57 4.745 -1.776 -4.761 1.00 0.00 C ATOM 827 CG1 VAL A 57 4.356 -2.955 -3.886 1.00 0.00 C ATOM 828 CG2 VAL A 57 4.049 -0.509 -4.271 1.00 0.00 C ATOM 0 H VAL A 57 6.432 -3.690 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 57 6.484 -1.108 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 57 4.407 -1.981 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.270 -3.042 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.781 -3.870 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.738 -2.801 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.973 -0.680 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.419 -0.251 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.257 0.310 -4.960 1.00 0.00 H new ATOM 838 N THR A 58 6.528 0.596 -3.813 1.00 0.00 N ATOM 839 CA THR A 58 6.994 1.540 -2.804 1.00 0.00 C ATOM 840 C THR A 58 6.396 2.926 -3.022 1.00 0.00 C ATOM 841 O THR A 58 6.442 3.468 -4.126 1.00 0.00 O ATOM 842 CB THR A 58 8.525 1.626 -2.816 1.00 0.00 C ATOM 843 OG1 THR A 58 9.067 0.903 -3.911 1.00 0.00 O ATOM 844 CG2 THR A 58 9.160 1.096 -1.548 1.00 0.00 C ATOM 0 H THR A 58 5.974 1.013 -4.561 1.00 0.00 H new ATOM 0 HA THR A 58 6.663 1.174 -1.832 1.00 0.00 H new ATOM 0 HB THR A 58 8.754 2.688 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.012 1.139 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.244 1.185 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.804 1.673 -0.694 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.890 0.048 -1.416 1.00 0.00 H new ATOM 852 N CYS A 59 5.848 3.496 -1.950 1.00 0.00 N ATOM 853 CA CYS A 59 5.247 4.831 -1.992 1.00 0.00 C ATOM 854 C CYS A 59 4.364 5.012 -3.227 1.00 0.00 C ATOM 855 O CYS A 59 4.854 5.297 -4.319 1.00 0.00 O ATOM 856 CB CYS A 59 6.329 5.922 -1.956 1.00 0.00 C ATOM 857 SG CYS A 59 8.045 5.305 -1.859 1.00 0.00 S ATOM 0 H CYS A 59 5.807 3.050 -1.033 1.00 0.00 H new ATOM 0 HA CYS A 59 4.618 4.929 -1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.231 6.539 -2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.143 6.569 -1.099 1.00 0.00 H new ATOM 862 N CYS A 60 3.057 4.850 -3.040 1.00 0.00 N ATOM 863 CA CYS A 60 2.097 4.996 -4.129 1.00 0.00 C ATOM 864 C CYS A 60 2.329 6.277 -4.922 1.00 0.00 C ATOM 865 O CYS A 60 1.982 6.357 -6.100 1.00 0.00 O ATOM 866 CB CYS A 60 0.666 4.983 -3.587 1.00 0.00 C ATOM 867 SG CYS A 60 -0.518 4.127 -4.684 1.00 0.00 S ATOM 0 H CYS A 60 2.637 4.617 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 60 2.242 4.150 -4.800 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.660 4.499 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.333 6.010 -3.436 1.00 0.00 H new ATOM 872 N SER A 61 2.897 7.285 -4.269 1.00 0.00 N ATOM 873 CA SER A 61 3.147 8.562 -4.922 1.00 0.00 C ATOM 874 C SER A 61 1.847 9.144 -5.482 1.00 0.00 C ATOM 875 O SER A 61 1.868 10.021 -6.345 1.00 0.00 O ATOM 876 CB SER A 61 4.173 8.392 -6.044 1.00 0.00 C ATOM 877 OG SER A 61 3.557 7.932 -7.236 1.00 0.00 O ATOM 0 H SER A 61 3.191 7.242 -3.293 1.00 0.00 H new ATOM 0 HA SER A 61 3.546 9.254 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.671 9.343 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.942 7.685 -5.733 1.00 0.00 H new ATOM 0 HG SER A 61 2.870 7.269 -7.014 1.00 0.00 H new ATOM 883 N THR A 62 0.716 8.645 -4.981 1.00 0.00 N ATOM 884 CA THR A 62 -0.594 9.110 -5.426 1.00 0.00 C ATOM 885 C THR A 62 -1.477 9.455 -4.232 1.00 0.00 C ATOM 886 O THR A 62 -1.822 10.616 -4.016 1.00 0.00 O ATOM 887 CB THR A 62 -1.273 8.042 -6.284 1.00 0.00 C ATOM 888 OG1 THR A 62 -0.309 7.271 -6.979 1.00 0.00 O ATOM 889 CG2 THR A 62 -2.231 8.611 -7.308 1.00 0.00 C ATOM 0 H THR A 62 0.683 7.918 -4.266 1.00 0.00 H new ATOM 0 HA THR A 62 -0.451 10.009 -6.025 1.00 0.00 H new ATOM 0 HB THR A 62 -1.841 7.429 -5.584 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.253 6.792 -6.335 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.676 7.798 -7.881 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.017 9.170 -6.800 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.691 9.276 -7.982 1.00 0.00 H new ATOM 897 N ASP A 63 -1.838 8.435 -3.454 1.00 0.00 N ATOM 898 CA ASP A 63 -2.680 8.628 -2.275 1.00 0.00 C ATOM 899 C ASP A 63 -3.125 7.293 -1.690 1.00 0.00 C ATOM 900 O ASP A 63 -4.080 6.684 -2.169 1.00 0.00 O ATOM 901 CB ASP A 63 -3.908 9.476 -2.617 1.00 0.00 C ATOM 902 CG ASP A 63 -4.542 9.077 -3.935 1.00 0.00 C ATOM 903 OD1 ASP A 63 -5.425 8.194 -3.925 1.00 0.00 O ATOM 904 OD2 ASP A 63 -4.156 9.647 -4.977 1.00 0.00 O ATOM 0 H ASP A 63 -1.561 7.467 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.082 9.152 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.645 9.380 -1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.619 10.526 -2.660 1.00 0.00 H new ATOM 909 N LYS A 64 -2.430 6.851 -0.641 1.00 0.00 N ATOM 910 CA LYS A 64 -2.751 5.597 0.027 1.00 0.00 C ATOM 911 C LYS A 64 -2.849 4.457 -0.957 1.00 0.00 C ATOM 912 O LYS A 64 -1.861 3.769 -1.211 1.00 0.00 O ATOM 913 CB LYS A 64 -4.069 5.729 0.760 1.00 0.00 C ATOM 914 CG LYS A 64 -4.108 6.831 1.798 1.00 0.00 C ATOM 915 CD LYS A 64 -5.528 7.308 2.037 1.00 0.00 C ATOM 916 CE LYS A 64 -6.057 6.867 3.395 1.00 0.00 C ATOM 917 NZ LYS A 64 -6.586 8.012 4.187 1.00 0.00 N ATOM 0 H LYS A 64 -1.637 7.349 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.947 5.381 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.859 5.908 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.294 4.781 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.681 6.469 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.491 7.667 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.561 8.395 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.177 6.921 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.846 6.128 3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.259 6.378 3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.356 7.875 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.154 8.896 3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.618 8.066 4.073 1.00 0.00 H new ATOM 931 N CYS A 65 -4.043 4.282 -1.528 1.00 0.00 N ATOM 932 CA CYS A 65 -4.277 3.247 -2.518 1.00 0.00 C ATOM 933 C CYS A 65 -4.551 1.868 -1.925 1.00 0.00 C ATOM 934 O CYS A 65 -4.923 0.954 -2.659 1.00 0.00 O ATOM 935 CB CYS A 65 -3.055 3.110 -3.383 1.00 0.00 C ATOM 936 SG CYS A 65 -2.354 4.675 -4.008 1.00 0.00 S ATOM 0 H CYS A 65 -4.862 4.851 -1.315 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.163 3.561 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.285 2.589 -2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.304 2.478 -4.235 1.00 0.00 H new ATOM 941 N ASN A 66 -4.321 1.688 -0.630 1.00 0.00 N ATOM 942 CA ASN A 66 -4.504 0.380 -0.014 1.00 0.00 C ATOM 943 C ASN A 66 -3.376 -0.553 -0.443 1.00 0.00 C ATOM 944 O ASN A 66 -2.715 -0.307 -1.453 1.00 0.00 O ATOM 945 CB ASN A 66 -5.852 -0.247 -0.388 1.00 0.00 C ATOM 946 CG ASN A 66 -7.034 0.602 0.029 1.00 0.00 C ATOM 947 OD1 ASN A 66 -6.926 1.821 0.165 1.00 0.00 O ATOM 948 ND2 ASN A 66 -8.177 -0.048 0.232 1.00 0.00 N ATOM 0 H ASN A 66 -4.011 2.422 0.007 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.488 0.520 1.067 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.887 -0.404 -1.466 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.933 -1.228 0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.013 0.465 0.513 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.218 -1.059 0.107 1.00 0.00 H new ATOM 955 N PRO A 67 -3.135 -1.642 0.312 1.00 0.00 N ATOM 956 CA PRO A 67 -2.083 -2.608 -0.005 1.00 0.00 C ATOM 957 C PRO A 67 -2.009 -2.909 -1.500 1.00 0.00 C ATOM 958 O PRO A 67 -1.129 -2.403 -2.197 1.00 0.00 O ATOM 959 CB PRO A 67 -2.483 -3.863 0.796 1.00 0.00 C ATOM 960 CG PRO A 67 -3.778 -3.528 1.472 1.00 0.00 C ATOM 961 CD PRO A 67 -3.857 -2.030 1.524 1.00 0.00 C ATOM 0 HA PRO A 67 -1.092 -2.234 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.598 -4.725 0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.716 -4.120 1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.622 -3.942 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.813 -3.953 2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.888 -1.676 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.390 -1.628 2.423 1.00 0.00 H new ATOM 969 N HIS A 68 -2.947 -3.722 -1.989 1.00 0.00 N ATOM 970 CA HIS A 68 -3.009 -4.089 -3.406 1.00 0.00 C ATOM 971 C HIS A 68 -3.859 -5.342 -3.602 1.00 0.00 C ATOM 972 O HIS A 68 -3.332 -6.452 -3.687 1.00 0.00 O ATOM 973 CB HIS A 68 -1.607 -4.325 -3.987 1.00 0.00 C ATOM 974 CG HIS A 68 -1.219 -3.321 -5.026 1.00 0.00 C ATOM 975 ND1 HIS A 68 -0.740 -3.674 -6.269 1.00 0.00 N ATOM 976 CD2 HIS A 68 -1.244 -1.966 -5.004 1.00 0.00 C ATOM 977 CE1 HIS A 68 -0.485 -2.582 -6.967 1.00 0.00 C ATOM 978 NE2 HIS A 68 -0.784 -1.532 -6.223 1.00 0.00 N ATOM 0 H HIS A 68 -3.681 -4.143 -1.419 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.468 -3.255 -3.937 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.877 -4.300 -3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.566 -5.323 -4.423 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -0.604 -4.630 -6.599 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.566 -1.344 -4.182 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.098 -2.552 -7.975 1.00 0.00 H new ATOM 987 N PRO A 69 -5.192 -5.184 -3.684 1.00 0.00 N ATOM 988 CA PRO A 69 -6.107 -6.313 -3.876 1.00 0.00 C ATOM 989 C PRO A 69 -5.879 -7.013 -5.212 1.00 0.00 C ATOM 990 O PRO A 69 -5.657 -8.223 -5.259 1.00 0.00 O ATOM 991 CB PRO A 69 -7.497 -5.671 -3.835 1.00 0.00 C ATOM 992 CG PRO A 69 -7.271 -4.228 -4.137 1.00 0.00 C ATOM 993 CD PRO A 69 -5.908 -3.899 -3.598 1.00 0.00 C ATOM 0 HA PRO A 69 -5.966 -7.084 -3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.163 -6.127 -4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.962 -5.801 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.321 -4.042 -5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.035 -3.607 -3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.418 -3.125 -4.188 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.958 -3.534 -2.572 1.00 0.00 H new ATOM 1001 N LYS A 70 -5.931 -6.244 -6.296 1.00 0.00 N ATOM 1002 CA LYS A 70 -5.725 -6.786 -7.636 1.00 0.00 C ATOM 1003 C LYS A 70 -6.628 -7.992 -7.886 1.00 0.00 C ATOM 1004 O LYS A 70 -6.318 -9.110 -7.475 1.00 0.00 O ATOM 1005 CB LYS A 70 -4.260 -7.184 -7.828 1.00 0.00 C ATOM 1006 CG LYS A 70 -3.731 -6.899 -9.225 1.00 0.00 C ATOM 1007 CD LYS A 70 -2.333 -7.466 -9.417 1.00 0.00 C ATOM 1008 CE LYS A 70 -2.369 -8.967 -9.656 1.00 0.00 C ATOM 1009 NZ LYS A 70 -1.372 -9.390 -10.677 1.00 0.00 N ATOM 0 H LYS A 70 -6.115 -5.241 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.983 -6.009 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.649 -6.650 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.150 -8.248 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.405 -7.330 -9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.715 -5.823 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.852 -6.973 -10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.728 -7.251 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.173 -9.489 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.368 -9.259 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.428 -10.420 -10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.574 -8.912 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.416 -9.134 -10.356 1.00 0.00 H new ATOM 1023 N GLN A 71 -7.745 -7.755 -8.565 1.00 0.00 N ATOM 1024 CA GLN A 71 -8.693 -8.821 -8.871 1.00 0.00 C ATOM 1025 C GLN A 71 -9.547 -8.454 -10.082 1.00 0.00 C ATOM 1026 O GLN A 71 -10.775 -8.453 -10.011 1.00 0.00 O ATOM 1027 CB GLN A 71 -9.587 -9.101 -7.662 1.00 0.00 C ATOM 1028 CG GLN A 71 -8.924 -9.963 -6.599 1.00 0.00 C ATOM 1029 CD GLN A 71 -8.373 -11.260 -7.160 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -7.233 -11.632 -6.886 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -9.181 -11.953 -7.953 1.00 0.00 N ATOM 0 H GLN A 71 -8.016 -6.836 -8.914 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.128 -9.722 -9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.885 -8.153 -7.214 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.498 -9.594 -8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.115 -9.400 -6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.648 -10.189 -5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.119 -11.607 -8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.864 -12.832 -8.362 1.00 0.00 H new ATOM 1040 N ARG A 72 -8.885 -8.143 -11.192 1.00 0.00 N ATOM 1041 CA ARG A 72 -9.580 -7.773 -12.420 1.00 0.00 C ATOM 1042 C ARG A 72 -10.546 -8.874 -12.856 1.00 0.00 C ATOM 1043 O ARG A 72 -10.329 -10.051 -12.572 1.00 0.00 O ATOM 1044 CB ARG A 72 -8.566 -7.471 -13.535 1.00 0.00 C ATOM 1045 CG ARG A 72 -8.119 -8.691 -14.332 1.00 0.00 C ATOM 1046 CD ARG A 72 -7.323 -9.665 -13.479 1.00 0.00 C ATOM 1047 NE ARG A 72 -5.900 -9.337 -13.453 1.00 0.00 N ATOM 1048 CZ ARG A 72 -5.054 -9.636 -14.436 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -5.484 -10.266 -15.523 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -3.775 -9.305 -14.333 1.00 0.00 N ATOM 0 H ARG A 72 -7.868 -8.140 -11.266 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.163 -6.873 -12.225 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.005 -6.746 -14.221 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.688 -7.001 -13.092 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.993 -9.197 -14.741 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.512 -8.369 -15.178 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.715 -9.659 -12.462 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.455 -10.676 -13.865 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.534 -8.851 -12.635 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.467 -10.523 -15.608 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.831 -10.492 -16.273 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.439 -8.821 -13.500 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.127 -9.534 -15.086 1.00 0.00 H new ATOM 1064 N PRO A 73 -11.632 -8.502 -13.558 1.00 0.00 N ATOM 1065 CA PRO A 73 -12.631 -9.463 -14.033 1.00 0.00 C ATOM 1066 C PRO A 73 -12.102 -10.336 -15.166 1.00 0.00 C ATOM 1067 O PRO A 73 -12.616 -10.301 -16.284 1.00 0.00 O ATOM 1068 CB PRO A 73 -13.771 -8.571 -14.530 1.00 0.00 C ATOM 1069 CG PRO A 73 -13.113 -7.288 -14.900 1.00 0.00 C ATOM 1070 CD PRO A 73 -11.968 -7.117 -13.940 1.00 0.00 C ATOM 0 HA PRO A 73 -12.929 -10.163 -13.252 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.279 -9.017 -15.385 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.523 -8.421 -13.755 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.758 -7.315 -15.930 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.812 -6.455 -14.825 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.123 -6.613 -14.409 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.255 -6.520 -13.074 1.00 0.00 H new ATOM 1078 N GLY A 74 -11.071 -11.121 -14.869 1.00 0.00 N ATOM 1079 CA GLY A 74 -10.490 -11.994 -15.871 1.00 0.00 C ATOM 1080 C GLY A 74 -8.979 -12.070 -15.768 1.00 0.00 C ATOM 1081 O GLY A 74 -8.479 -12.621 -14.766 1.00 0.00 O ATOM 1082 OXT GLY A 74 -8.296 -11.579 -16.691 1.00 0.00 O ATOM 0 H GLY A 74 -10.628 -11.168 -13.952 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.909 -12.994 -15.764 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.766 -11.637 -16.863 1.00 0.00 H new TER 1086 GLY A 74