USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 567 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 5 THR OG1 : rot 63:sc= -0.643 USER MOD Set 1.2: A 8 THR OG1 : rot -147:sc= 1.52 USER MOD Single : A 1 ILE N :NH3+ -99:sc= -1.03 (180deg=-2.73!) USER MOD Single : A 4 HIS : no HD1:sc= -18.5! C(o=-19!,f=-19!) USER MOD Single : A 6 THR OG1 : rot 52:sc= -5.19! USER MOD Single : A 9 SER OG : rot 180:sc= -0.0935 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0844 USER MOD Single : A 21 ASN :FLIP amide:sc= -2.15 F(o=-4.8!,f=-2.1) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 157:sc= -0.811 (180deg=-1.03) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 50 SER OG : rot 180:sc= -0.151 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 38:sc= -2.08! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0694 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -11.1! C(o=-11!,f=-13!) USER MOD Single : A 68 HIS :FLIP no HE2:sc= -5.07! C(o=-6.2!,f=-5.1!) USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= -2.75! (180deg=-3.55!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.546 F(o=-2.5,f=-0.55) USER MOD Single : B 3 TYR OH : rot -142:sc= -5.06! USER MOD Single : B 4 TYR OH : rot -110:sc= -2.18! USER MOD Single : B 6 SER OG : rot 15:sc= 0.569! USER MOD Single : B 7 SER OG : rot 180:sc= -0.0607 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.902 15.859 -1.092 1.00 0.00 N ATOM 2 CA ILE A 1 6.784 15.051 -1.659 1.00 0.00 C ATOM 3 C ILE A 1 6.028 14.332 -0.539 1.00 0.00 C ATOM 4 O ILE A 1 6.269 14.557 0.630 1.00 0.00 O ATOM 5 CB ILE A 1 7.456 14.037 -2.585 1.00 0.00 C ATOM 6 CG1 ILE A 1 8.648 13.401 -1.865 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.946 14.746 -3.849 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.618 11.885 -2.066 1.00 0.00 C ATOM 0 H1 ILE A 1 7.607 16.853 -1.014 1.00 0.00 H new ATOM 0 H2 ILE A 1 8.149 15.496 -0.149 1.00 0.00 H new ATOM 0 H3 ILE A 1 8.731 15.792 -1.717 1.00 0.00 H new ATOM 0 HA ILE A 1 6.058 15.668 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 1 6.738 13.263 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.581 13.811 -2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 1 8.612 13.638 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.425 14.023 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.099 15.201 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.664 15.520 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 1 9.467 11.433 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.691 11.482 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.675 11.658 -3.131 1.00 0.00 H new ATOM 22 N VAL A 2 5.116 13.467 -0.888 1.00 0.00 N ATOM 23 CA VAL A 2 4.346 12.732 0.156 1.00 0.00 C ATOM 24 C VAL A 2 3.980 11.338 -0.348 1.00 0.00 C ATOM 25 O VAL A 2 3.958 11.081 -1.535 1.00 0.00 O ATOM 26 CB VAL A 2 3.080 13.556 0.380 1.00 0.00 C ATOM 27 CG1 VAL A 2 2.420 13.140 1.694 1.00 0.00 C ATOM 28 CG2 VAL A 2 3.440 15.039 0.444 1.00 0.00 C ATOM 0 H VAL A 2 4.870 13.237 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 2 4.920 12.608 1.074 1.00 0.00 H new ATOM 0 HB VAL A 2 2.389 13.382 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.517 13.730 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.160 12.082 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.112 13.310 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.536 15.626 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.134 15.210 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.908 15.341 -0.493 1.00 0.00 H new ATOM 38 N CYS A 3 3.697 10.435 0.546 1.00 0.00 N ATOM 39 CA CYS A 3 3.337 9.057 0.119 1.00 0.00 C ATOM 40 C CYS A 3 2.034 8.619 0.787 1.00 0.00 C ATOM 41 O CYS A 3 1.634 9.165 1.794 1.00 0.00 O ATOM 42 CB CYS A 3 4.487 8.178 0.594 1.00 0.00 C ATOM 43 SG CYS A 3 6.073 9.003 0.300 1.00 0.00 S ATOM 0 H CYS A 3 3.699 10.592 1.554 1.00 0.00 H new ATOM 0 HA CYS A 3 3.187 8.991 -0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.373 7.962 1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.464 7.223 0.070 1.00 0.00 H new ATOM 48 N HIS A 4 1.375 7.629 0.244 1.00 0.00 N ATOM 49 CA HIS A 4 0.100 7.162 0.864 1.00 0.00 C ATOM 50 C HIS A 4 0.336 5.919 1.701 1.00 0.00 C ATOM 51 O HIS A 4 1.180 5.104 1.392 1.00 0.00 O ATOM 52 CB HIS A 4 -0.824 6.807 -0.281 1.00 0.00 C ATOM 53 CG HIS A 4 -0.734 7.839 -1.366 1.00 0.00 C ATOM 54 ND1 HIS A 4 -0.829 9.186 -1.093 1.00 0.00 N ATOM 55 CD2 HIS A 4 -0.572 7.740 -2.723 1.00 0.00 C ATOM 56 CE1 HIS A 4 -0.722 9.848 -2.259 1.00 0.00 C ATOM 57 NE2 HIS A 4 -0.563 9.012 -3.287 1.00 0.00 N ATOM 0 H HIS A 4 1.662 7.127 -0.596 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.316 7.935 1.510 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.560 5.827 -0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.850 6.738 0.080 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.467 6.815 -3.271 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -0.760 10.923 -2.352 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -0.458 9.253 -4.272 1.00 0.00 H new ATOM 65 N THR A 5 -0.425 5.739 2.738 1.00 0.00 N ATOM 66 CA THR A 5 -0.249 4.519 3.547 1.00 0.00 C ATOM 67 C THR A 5 -1.477 3.647 3.391 1.00 0.00 C ATOM 68 O THR A 5 -2.548 3.933 3.891 1.00 0.00 O ATOM 69 CB THR A 5 -0.074 4.942 4.999 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.289 4.744 5.693 1.00 0.00 O ATOM 71 CG2 THR A 5 0.356 6.407 5.107 1.00 0.00 C ATOM 0 H THR A 5 -1.153 6.379 3.055 1.00 0.00 H new ATOM 0 HA THR A 5 0.624 3.952 3.224 1.00 0.00 H new ATOM 0 HB THR A 5 0.712 4.331 5.443 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.515 3.790 5.692 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.472 6.676 6.157 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.305 6.547 4.590 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.402 7.043 4.651 1.00 0.00 H new ATOM 79 N THR A 6 -1.310 2.588 2.700 1.00 0.00 N ATOM 80 CA THR A 6 -2.429 1.641 2.479 1.00 0.00 C ATOM 81 C THR A 6 -2.430 0.600 3.592 1.00 0.00 C ATOM 82 O THR A 6 -3.344 -0.187 3.725 1.00 0.00 O ATOM 83 CB THR A 6 -2.107 0.990 1.139 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.708 1.053 0.928 1.00 0.00 O ATOM 85 CG2 THR A 6 -2.826 1.742 0.022 1.00 0.00 C ATOM 0 H THR A 6 -0.429 2.319 2.262 1.00 0.00 H new ATOM 0 HA THR A 6 -3.408 2.119 2.479 1.00 0.00 H new ATOM 0 HB THR A 6 -2.436 -0.049 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.243 0.691 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.596 1.277 -0.937 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.902 1.707 0.194 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.494 2.780 0.010 1.00 0.00 H new ATOM 93 N ALA A 7 -1.392 0.579 4.381 1.00 0.00 N ATOM 94 CA ALA A 7 -1.313 -0.422 5.472 1.00 0.00 C ATOM 95 C ALA A 7 -1.884 0.127 6.786 1.00 0.00 C ATOM 96 O ALA A 7 -1.702 -0.458 7.835 1.00 0.00 O ATOM 97 CB ALA A 7 0.178 -0.731 5.597 1.00 0.00 C ATOM 0 H ALA A 7 -0.596 1.214 4.314 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.903 -1.312 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.332 -1.467 6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.548 -1.129 4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.720 0.182 5.843 1.00 0.00 H new ATOM 103 N THR A 8 -2.575 1.235 6.748 1.00 0.00 N ATOM 104 CA THR A 8 -3.144 1.784 8.015 1.00 0.00 C ATOM 105 C THR A 8 -4.654 1.520 8.096 1.00 0.00 C ATOM 106 O THR A 8 -5.092 0.548 8.678 1.00 0.00 O ATOM 107 CB THR A 8 -2.857 3.289 7.976 1.00 0.00 C ATOM 108 OG1 THR A 8 -3.214 3.815 6.706 1.00 0.00 O ATOM 109 CG2 THR A 8 -1.368 3.530 8.229 1.00 0.00 C ATOM 0 H THR A 8 -2.769 1.778 5.907 1.00 0.00 H new ATOM 0 HA THR A 8 -2.700 1.312 8.892 1.00 0.00 H new ATOM 0 HB THR A 8 -3.444 3.787 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.603 4.544 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.163 4.600 8.201 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.096 3.133 9.207 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.782 3.028 7.459 1.00 0.00 H new ATOM 117 N SER A 9 -5.448 2.380 7.523 1.00 0.00 N ATOM 118 CA SER A 9 -6.926 2.192 7.570 1.00 0.00 C ATOM 119 C SER A 9 -7.611 3.213 6.651 1.00 0.00 C ATOM 120 O SER A 9 -8.312 2.850 5.727 1.00 0.00 O ATOM 121 CB SER A 9 -7.310 2.433 9.029 1.00 0.00 C ATOM 122 OG SER A 9 -8.623 2.975 9.089 1.00 0.00 O ATOM 0 H SER A 9 -5.135 3.211 7.021 1.00 0.00 H new ATOM 0 HA SER A 9 -7.233 1.202 7.231 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.265 1.498 9.587 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.601 3.117 9.495 1.00 0.00 H new ATOM 0 HG SER A 9 -8.871 3.129 10.025 1.00 0.00 H new ATOM 128 N PRO A 10 -7.382 4.466 6.947 1.00 0.00 N ATOM 129 CA PRO A 10 -7.980 5.573 6.147 1.00 0.00 C ATOM 130 C PRO A 10 -7.335 5.687 4.772 1.00 0.00 C ATOM 131 O PRO A 10 -7.996 5.874 3.770 1.00 0.00 O ATOM 132 CB PRO A 10 -7.631 6.813 6.956 1.00 0.00 C ATOM 133 CG PRO A 10 -6.416 6.437 7.735 1.00 0.00 C ATOM 134 CD PRO A 10 -6.556 4.977 8.051 1.00 0.00 C ATOM 0 HA PRO A 10 -9.047 5.424 5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.435 7.666 6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.451 7.097 7.616 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.510 6.625 7.158 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.341 7.027 8.648 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.587 4.480 8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.035 4.819 9.017 1.00 0.00 H new ATOM 142 N ILE A 11 -6.041 5.617 4.738 1.00 0.00 N ATOM 143 CA ILE A 11 -5.296 5.763 3.463 1.00 0.00 C ATOM 144 C ILE A 11 -5.267 7.232 3.065 1.00 0.00 C ATOM 145 O ILE A 11 -6.279 7.846 2.793 1.00 0.00 O ATOM 146 CB ILE A 11 -6.027 4.878 2.455 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.015 3.870 1.881 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.665 5.718 1.332 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.336 3.539 0.414 1.00 0.00 C ATOM 0 H ILE A 11 -5.454 5.461 5.558 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.254 5.452 3.530 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.840 4.349 2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.008 4.280 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.030 2.956 2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.177 5.059 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.382 6.417 1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.888 6.273 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.605 2.825 0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.334 3.106 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.296 4.451 -0.182 1.00 0.00 H new ATOM 161 N SER A 12 -4.103 7.790 3.049 1.00 0.00 N ATOM 162 CA SER A 12 -3.958 9.221 2.691 1.00 0.00 C ATOM 163 C SER A 12 -2.484 9.519 2.472 1.00 0.00 C ATOM 164 O SER A 12 -1.630 8.724 2.816 1.00 0.00 O ATOM 165 CB SER A 12 -4.496 9.991 3.897 1.00 0.00 C ATOM 166 OG SER A 12 -3.543 9.938 4.950 1.00 0.00 O ATOM 0 H SER A 12 -3.230 7.312 3.271 1.00 0.00 H new ATOM 0 HA SER A 12 -4.492 9.494 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.695 11.027 3.623 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.442 9.561 4.225 1.00 0.00 H new ATOM 0 HG SER A 12 -3.884 10.432 5.725 1.00 0.00 H new ATOM 172 N ALA A 13 -2.170 10.640 1.895 1.00 0.00 N ATOM 173 CA ALA A 13 -0.741 10.954 1.647 1.00 0.00 C ATOM 174 C ALA A 13 -0.143 11.779 2.774 1.00 0.00 C ATOM 175 O ALA A 13 -0.360 12.971 2.866 1.00 0.00 O ATOM 176 CB ALA A 13 -0.726 11.764 0.364 1.00 0.00 C ATOM 0 H ALA A 13 -2.836 11.348 1.586 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.150 10.040 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.301 12.034 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.151 11.171 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.317 12.670 0.499 1.00 0.00 H new ATOM 182 N VAL A 14 0.643 11.171 3.610 1.00 0.00 N ATOM 183 CA VAL A 14 1.282 11.954 4.693 1.00 0.00 C ATOM 184 C VAL A 14 2.731 12.207 4.313 1.00 0.00 C ATOM 185 O VAL A 14 3.398 11.368 3.732 1.00 0.00 O ATOM 186 CB VAL A 14 1.183 11.126 5.986 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.062 10.251 5.944 1.00 0.00 C ATOM 188 CG2 VAL A 14 2.429 10.246 6.153 1.00 0.00 C ATOM 0 H VAL A 14 0.869 10.176 3.591 1.00 0.00 H new ATOM 0 HA VAL A 14 0.792 12.916 4.844 1.00 0.00 H new ATOM 0 HB VAL A 14 1.118 11.808 6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.127 9.667 6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.947 10.881 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.005 9.578 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.344 9.666 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.513 9.569 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.316 10.877 6.203 1.00 0.00 H new ATOM 198 N THR A 15 3.212 13.353 4.628 1.00 0.00 N ATOM 199 CA THR A 15 4.619 13.682 4.293 1.00 0.00 C ATOM 200 C THR A 15 5.563 12.689 4.971 1.00 0.00 C ATOM 201 O THR A 15 5.340 12.273 6.090 1.00 0.00 O ATOM 202 CB THR A 15 4.837 15.076 4.856 1.00 0.00 C ATOM 203 OG1 THR A 15 3.685 15.872 4.610 1.00 0.00 O ATOM 204 CG2 THR A 15 6.053 15.704 4.180 1.00 0.00 C ATOM 0 H THR A 15 2.695 14.090 5.108 1.00 0.00 H new ATOM 0 HA THR A 15 4.812 13.634 3.221 1.00 0.00 H new ATOM 0 HB THR A 15 5.008 15.018 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.825 16.771 4.975 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.215 16.705 4.580 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.933 15.090 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.880 15.766 3.106 1.00 0.00 H new ATOM 212 N CYS A 16 6.615 12.306 4.306 1.00 0.00 N ATOM 213 CA CYS A 16 7.565 11.342 4.918 1.00 0.00 C ATOM 214 C CYS A 16 9.004 11.836 4.741 1.00 0.00 C ATOM 215 O CYS A 16 9.755 11.294 3.956 1.00 0.00 O ATOM 216 CB CYS A 16 7.338 10.044 4.150 1.00 0.00 C ATOM 217 SG CYS A 16 6.019 9.097 4.951 1.00 0.00 S ATOM 0 H CYS A 16 6.857 12.619 3.366 1.00 0.00 H new ATOM 0 HA CYS A 16 7.408 11.217 5.989 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.069 10.262 3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.257 9.458 4.123 1.00 0.00 H new ATOM 222 N PRO A 17 9.336 12.861 5.485 1.00 0.00 N ATOM 223 CA PRO A 17 10.686 13.456 5.429 1.00 0.00 C ATOM 224 C PRO A 17 11.652 12.949 6.535 1.00 0.00 C ATOM 225 O PRO A 17 12.650 13.598 6.779 1.00 0.00 O ATOM 226 CB PRO A 17 10.385 14.934 5.661 1.00 0.00 C ATOM 227 CG PRO A 17 9.086 14.975 6.428 1.00 0.00 C ATOM 228 CD PRO A 17 8.491 13.584 6.425 1.00 0.00 C ATOM 0 HA PRO A 17 11.193 13.209 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.186 15.412 6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.297 15.468 4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.259 15.312 7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.397 15.684 5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.516 13.134 7.417 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.449 13.593 6.105 1.00 0.00 H new ATOM 236 N PRO A 18 11.371 11.831 7.179 1.00 0.00 N ATOM 237 CA PRO A 18 12.295 11.350 8.232 1.00 0.00 C ATOM 238 C PRO A 18 13.482 10.629 7.587 1.00 0.00 C ATOM 239 O PRO A 18 14.478 11.235 7.247 1.00 0.00 O ATOM 240 CB PRO A 18 11.447 10.383 9.049 1.00 0.00 C ATOM 241 CG PRO A 18 10.381 9.903 8.115 1.00 0.00 C ATOM 242 CD PRO A 18 10.225 10.928 7.017 1.00 0.00 C ATOM 0 HA PRO A 18 12.711 12.151 8.843 1.00 0.00 H new ATOM 0 HB2 PRO A 18 12.047 9.552 9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.014 10.878 9.918 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.650 8.934 7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.440 9.769 8.648 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.228 10.458 6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.282 11.466 7.110 1.00 0.00 H new ATOM 250 N GLY A 19 13.375 9.342 7.401 1.00 0.00 N ATOM 251 CA GLY A 19 14.487 8.587 6.761 1.00 0.00 C ATOM 252 C GLY A 19 14.079 8.235 5.333 1.00 0.00 C ATOM 253 O GLY A 19 14.898 8.156 4.439 1.00 0.00 O ATOM 0 H GLY A 19 12.565 8.781 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.398 9.186 6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.704 7.681 7.327 1.00 0.00 H new ATOM 257 N GLU A 20 12.809 8.027 5.114 1.00 0.00 N ATOM 258 CA GLU A 20 12.327 7.686 3.754 1.00 0.00 C ATOM 259 C GLU A 20 12.452 8.899 2.833 1.00 0.00 C ATOM 260 O GLU A 20 11.778 9.895 3.006 1.00 0.00 O ATOM 261 CB GLU A 20 10.863 7.314 3.962 1.00 0.00 C ATOM 262 CG GLU A 20 10.786 5.959 4.664 1.00 0.00 C ATOM 263 CD GLU A 20 10.865 6.163 6.178 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.996 6.832 6.712 1.00 0.00 O ATOM 265 OE2 GLU A 20 11.793 5.646 6.778 1.00 0.00 O ATOM 0 H GLU A 20 12.082 8.080 5.828 1.00 0.00 H new ATOM 0 HA GLU A 20 12.897 6.882 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.363 8.076 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.346 7.271 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.856 5.454 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.601 5.318 4.330 1.00 0.00 H new ATOM 272 N ASN A 21 13.313 8.823 1.859 1.00 0.00 N ATOM 273 CA ASN A 21 13.486 9.969 0.930 1.00 0.00 C ATOM 274 C ASN A 21 12.382 9.946 -0.128 1.00 0.00 C ATOM 275 O ASN A 21 12.156 10.916 -0.824 1.00 0.00 O ATOM 276 CB ASN A 21 14.857 9.754 0.288 1.00 0.00 C ATOM 277 CG ASN A 21 15.870 9.321 1.354 1.00 0.00 C ATOM 278 OD1 ASN A 21 15.634 9.580 2.612 1.00 0.00 O flip ATOM 279 ND2 ASN A 21 16.888 8.739 1.037 1.00 0.00 N flip ATOM 0 H ASN A 21 13.905 8.015 1.667 1.00 0.00 H new ATOM 0 HA ASN A 21 13.425 10.933 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.788 8.995 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.192 10.674 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.074 8.536 0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.556 8.454 1.753 1.00 0.00 H new ATOM 286 N LEU A 22 11.688 8.846 -0.252 1.00 0.00 N ATOM 287 CA LEU A 22 10.597 8.771 -1.264 1.00 0.00 C ATOM 288 C LEU A 22 9.484 7.834 -0.794 1.00 0.00 C ATOM 289 O LEU A 22 9.345 7.550 0.379 1.00 0.00 O ATOM 290 CB LEU A 22 11.254 8.222 -2.530 1.00 0.00 C ATOM 291 CG LEU A 22 11.741 6.793 -2.287 1.00 0.00 C ATOM 292 CD1 LEU A 22 11.007 5.835 -3.229 1.00 0.00 C ATOM 293 CD2 LEU A 22 13.243 6.723 -2.563 1.00 0.00 C ATOM 0 H LEU A 22 11.829 8.001 0.301 1.00 0.00 H new ATOM 0 HA LEU A 22 10.138 9.745 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.542 8.237 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.092 8.856 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 22 11.541 6.508 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.355 4.817 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.935 5.890 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.208 6.116 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.597 5.707 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.436 7.005 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.768 7.407 -1.896 1.00 0.00 H new ATOM 305 N CYS A 23 8.683 7.365 -1.709 1.00 0.00 N ATOM 306 CA CYS A 23 7.564 6.460 -1.346 1.00 0.00 C ATOM 307 C CYS A 23 7.800 5.073 -1.931 1.00 0.00 C ATOM 308 O CYS A 23 8.784 4.825 -2.592 1.00 0.00 O ATOM 309 CB CYS A 23 6.346 7.083 -2.009 1.00 0.00 C ATOM 310 SG CYS A 23 6.314 8.868 -1.698 1.00 0.00 S ATOM 0 H CYS A 23 8.759 7.574 -2.704 1.00 0.00 H new ATOM 0 HA CYS A 23 7.455 6.349 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.369 6.893 -3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.437 6.622 -1.623 1.00 0.00 H new ATOM 315 N TYR A 24 6.888 4.175 -1.726 1.00 0.00 N ATOM 316 CA TYR A 24 7.059 2.823 -2.305 1.00 0.00 C ATOM 317 C TYR A 24 5.720 2.133 -2.456 1.00 0.00 C ATOM 318 O TYR A 24 4.880 2.189 -1.592 1.00 0.00 O ATOM 319 CB TYR A 24 7.946 2.046 -1.338 1.00 0.00 C ATOM 320 CG TYR A 24 7.149 1.650 -0.123 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.277 0.561 -0.189 1.00 0.00 C ATOM 322 CD2 TYR A 24 7.284 2.369 1.062 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.536 0.189 0.939 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.544 2.002 2.193 1.00 0.00 C ATOM 325 CZ TYR A 24 5.670 0.910 2.131 1.00 0.00 C ATOM 326 OH TYR A 24 4.940 0.546 3.244 1.00 0.00 O ATOM 0 H TYR A 24 6.035 4.317 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 24 7.507 2.879 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.344 1.158 -1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.799 2.656 -1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.174 0.006 -1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.960 3.210 1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.862 -0.653 0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.647 2.560 3.112 1.00 0.00 H new ATOM 0 HH TYR A 24 5.152 1.150 3.986 1.00 0.00 H new ATOM 336 N ARG A 25 5.524 1.471 -3.546 1.00 0.00 N ATOM 337 CA ARG A 25 4.234 0.760 -3.749 1.00 0.00 C ATOM 338 C ARG A 25 4.445 -0.741 -3.525 1.00 0.00 C ATOM 339 O ARG A 25 5.099 -1.396 -4.311 1.00 0.00 O ATOM 340 CB ARG A 25 3.851 1.030 -5.209 1.00 0.00 C ATOM 341 CG ARG A 25 4.172 2.483 -5.581 1.00 0.00 C ATOM 342 CD ARG A 25 5.280 2.508 -6.636 1.00 0.00 C ATOM 343 NE ARG A 25 5.006 3.724 -7.451 1.00 0.00 N ATOM 344 CZ ARG A 25 5.446 3.800 -8.677 1.00 0.00 C ATOM 345 NH1 ARG A 25 5.228 2.820 -9.511 1.00 0.00 N ATOM 346 NH2 ARG A 25 6.103 4.858 -9.070 1.00 0.00 N ATOM 0 H ARG A 25 6.196 1.387 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 25 3.458 1.094 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.393 0.350 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.789 0.836 -5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.279 2.977 -5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.486 3.035 -4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.265 2.557 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.261 1.608 -7.251 1.00 0.00 H new ATOM 0 HE ARG A 25 4.475 4.497 -7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.713 1.994 -9.204 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.572 2.880 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.272 5.625 -8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.447 4.918 -10.028 1.00 0.00 H new ATOM 360 N LYS A 26 3.908 -1.309 -2.474 1.00 0.00 N ATOM 361 CA LYS A 26 4.121 -2.764 -2.265 1.00 0.00 C ATOM 362 C LYS A 26 2.867 -3.534 -2.612 1.00 0.00 C ATOM 363 O LYS A 26 1.798 -2.982 -2.769 1.00 0.00 O ATOM 364 CB LYS A 26 4.448 -2.946 -0.782 1.00 0.00 C ATOM 365 CG LYS A 26 5.883 -3.447 -0.636 1.00 0.00 C ATOM 366 CD LYS A 26 6.222 -3.598 0.848 1.00 0.00 C ATOM 367 CE LYS A 26 7.398 -2.684 1.200 1.00 0.00 C ATOM 368 NZ LYS A 26 7.408 -2.630 2.689 1.00 0.00 N ATOM 0 H LYS A 26 3.344 -0.836 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 26 4.925 -3.136 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.326 -2.001 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.756 -3.656 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.999 -4.403 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.573 -2.748 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.355 -3.343 1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.475 -4.635 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.336 -3.081 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.270 -1.691 0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.188 -2.021 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.505 -2.242 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.538 -3.589 3.070 1.00 0.00 H new ATOM 382 N MET A 27 2.997 -4.812 -2.718 1.00 0.00 N ATOM 383 CA MET A 27 1.822 -5.651 -3.032 1.00 0.00 C ATOM 384 C MET A 27 2.094 -7.051 -2.567 1.00 0.00 C ATOM 385 O MET A 27 3.159 -7.596 -2.779 1.00 0.00 O ATOM 386 CB MET A 27 1.647 -5.586 -4.549 1.00 0.00 C ATOM 387 CG MET A 27 0.272 -5.003 -4.880 1.00 0.00 C ATOM 388 SD MET A 27 -0.040 -5.168 -6.655 1.00 0.00 S ATOM 389 CE MET A 27 -1.599 -6.079 -6.528 1.00 0.00 C ATOM 0 H MET A 27 3.874 -5.320 -2.600 1.00 0.00 H new ATOM 0 HA MET A 27 0.913 -5.310 -2.536 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.431 -4.970 -4.990 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.745 -6.582 -4.980 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.501 -5.522 -4.314 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.230 -3.954 -4.588 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.176 -5.942 -7.443 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.390 -7.139 -6.386 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.171 -5.705 -5.679 1.00 0.00 H new ATOM 399 N TRP A 28 1.162 -7.630 -1.890 1.00 0.00 N ATOM 400 CA TRP A 28 1.420 -8.976 -1.380 1.00 0.00 C ATOM 401 C TRP A 28 0.162 -9.672 -0.913 1.00 0.00 C ATOM 402 O TRP A 28 -0.935 -9.196 -1.052 1.00 0.00 O ATOM 403 CB TRP A 28 2.338 -8.727 -0.202 1.00 0.00 C ATOM 404 CG TRP A 28 1.714 -7.773 0.783 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.395 -7.669 1.114 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.399 -6.788 1.583 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.254 -6.664 2.059 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.463 -6.096 2.378 1.00 0.00 C ATOM 409 CE3 TRP A 28 3.741 -6.438 1.678 1.00 0.00 C ATOM 410 CZ2 TRP A 28 1.848 -5.081 3.245 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.150 -5.416 2.552 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.202 -4.735 3.336 1.00 0.00 C ATOM 0 H TRP A 28 0.248 -7.234 -1.672 1.00 0.00 H new ATOM 0 HA TRP A 28 1.839 -9.626 -2.148 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.562 -9.671 0.294 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.286 -8.321 -0.556 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.406 -8.269 0.708 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.637 -6.382 2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.474 -6.955 1.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.111 -4.564 3.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.195 -5.153 2.622 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.517 -3.948 4.006 1.00 0.00 H new ATOM 423 N CYS A 29 0.339 -10.799 -0.337 1.00 0.00 N ATOM 424 CA CYS A 29 -0.826 -11.563 0.174 1.00 0.00 C ATOM 425 C CYS A 29 -1.093 -11.175 1.635 1.00 0.00 C ATOM 426 O CYS A 29 -0.177 -10.939 2.397 1.00 0.00 O ATOM 427 CB CYS A 29 -0.420 -13.036 0.035 1.00 0.00 C ATOM 428 SG CYS A 29 0.609 -13.555 1.435 1.00 0.00 S ATOM 0 H CYS A 29 1.246 -11.241 -0.190 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.748 -11.360 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.312 -13.660 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.126 -13.181 -0.897 1.00 0.00 H new ATOM 433 N ASP A 30 -2.334 -11.094 2.029 1.00 0.00 N ATOM 434 CA ASP A 30 -2.640 -10.706 3.438 1.00 0.00 C ATOM 435 C ASP A 30 -2.227 -11.825 4.399 1.00 0.00 C ATOM 436 O ASP A 30 -1.727 -12.850 3.991 1.00 0.00 O ATOM 437 CB ASP A 30 -4.154 -10.494 3.469 1.00 0.00 C ATOM 438 CG ASP A 30 -4.553 -9.823 4.784 1.00 0.00 C ATOM 439 OD1 ASP A 30 -4.225 -8.660 4.956 1.00 0.00 O ATOM 440 OD2 ASP A 30 -5.177 -10.483 5.598 1.00 0.00 O ATOM 0 H ASP A 30 -3.147 -11.278 1.441 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.099 -9.812 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.462 -9.876 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.667 -11.450 3.367 1.00 0.00 H new ATOM 445 N ALA A 31 -2.423 -11.634 5.673 1.00 0.00 N ATOM 446 CA ALA A 31 -2.031 -12.686 6.655 1.00 0.00 C ATOM 447 C ALA A 31 -2.535 -14.063 6.207 1.00 0.00 C ATOM 448 O ALA A 31 -2.025 -15.083 6.624 1.00 0.00 O ATOM 449 CB ALA A 31 -2.703 -12.273 7.964 1.00 0.00 C ATOM 0 H ALA A 31 -2.838 -10.795 6.078 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.949 -12.767 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.463 -12.999 8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.343 -11.289 8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.783 -12.237 7.823 1.00 0.00 H new ATOM 455 N PHE A 32 -3.536 -14.105 5.370 1.00 0.00 N ATOM 456 CA PHE A 32 -4.067 -15.425 4.917 1.00 0.00 C ATOM 457 C PHE A 32 -3.706 -15.684 3.450 1.00 0.00 C ATOM 458 O PHE A 32 -3.721 -16.809 2.990 1.00 0.00 O ATOM 459 CB PHE A 32 -5.582 -15.317 5.085 1.00 0.00 C ATOM 460 CG PHE A 32 -5.958 -15.698 6.497 1.00 0.00 C ATOM 461 CD1 PHE A 32 -5.942 -17.042 6.887 1.00 0.00 C ATOM 462 CD2 PHE A 32 -6.323 -14.707 7.416 1.00 0.00 C ATOM 463 CE1 PHE A 32 -6.289 -17.396 8.196 1.00 0.00 C ATOM 464 CE2 PHE A 32 -6.670 -15.060 8.725 1.00 0.00 C ATOM 465 CZ PHE A 32 -6.654 -16.405 9.115 1.00 0.00 C ATOM 0 H PHE A 32 -4.008 -13.288 4.982 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.646 -16.252 5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.911 -14.300 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.086 -15.971 4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.662 -17.806 6.177 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.337 -13.670 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.275 -18.433 8.497 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.950 -14.295 9.434 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.923 -16.678 10.125 1.00 0.00 H new ATOM 475 N CYS A 33 -3.388 -14.658 2.711 1.00 0.00 N ATOM 476 CA CYS A 33 -3.034 -14.856 1.274 1.00 0.00 C ATOM 477 C CYS A 33 -4.086 -15.737 0.594 1.00 0.00 C ATOM 478 O CYS A 33 -3.896 -16.925 0.421 1.00 0.00 O ATOM 479 CB CYS A 33 -1.672 -15.563 1.276 1.00 0.00 C ATOM 480 SG CYS A 33 -0.574 -14.802 2.500 1.00 0.00 S ATOM 0 H CYS A 33 -3.357 -13.692 3.037 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.996 -13.912 0.731 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.804 -16.621 1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.221 -15.503 0.285 1.00 0.00 H new ATOM 485 N SER A 34 -5.197 -15.168 0.208 1.00 0.00 N ATOM 486 CA SER A 34 -6.257 -15.981 -0.458 1.00 0.00 C ATOM 487 C SER A 34 -6.132 -15.876 -1.980 1.00 0.00 C ATOM 488 O SER A 34 -5.164 -15.357 -2.499 1.00 0.00 O ATOM 489 CB SER A 34 -7.577 -15.372 0.014 1.00 0.00 C ATOM 490 OG SER A 34 -7.627 -15.403 1.435 1.00 0.00 O ATOM 0 H SER A 34 -5.416 -14.179 0.324 1.00 0.00 H new ATOM 0 HA SER A 34 -6.182 -17.039 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.665 -14.346 -0.342 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.417 -15.928 -0.403 1.00 0.00 H new ATOM 0 HG SER A 34 -8.472 -15.012 1.741 1.00 0.00 H new ATOM 496 N SER A 35 -7.105 -16.367 -2.699 1.00 0.00 N ATOM 497 CA SER A 35 -7.041 -16.295 -4.187 1.00 0.00 C ATOM 498 C SER A 35 -7.613 -14.962 -4.676 1.00 0.00 C ATOM 499 O SER A 35 -7.882 -14.782 -5.847 1.00 0.00 O ATOM 500 CB SER A 35 -7.898 -17.462 -4.678 1.00 0.00 C ATOM 501 OG SER A 35 -7.910 -18.484 -3.691 1.00 0.00 O ATOM 0 H SER A 35 -7.940 -16.814 -2.321 1.00 0.00 H new ATOM 0 HA SER A 35 -6.019 -16.357 -4.561 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.914 -17.123 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.501 -17.851 -5.616 1.00 0.00 H new ATOM 0 HG SER A 35 -8.460 -19.233 -4.002 1.00 0.00 H new ATOM 507 N ARG A 36 -7.798 -14.025 -3.786 1.00 0.00 N ATOM 508 CA ARG A 36 -8.349 -12.703 -4.200 1.00 0.00 C ATOM 509 C ARG A 36 -7.222 -11.793 -4.690 1.00 0.00 C ATOM 510 O ARG A 36 -7.430 -10.633 -4.986 1.00 0.00 O ATOM 511 CB ARG A 36 -8.988 -12.127 -2.936 1.00 0.00 C ATOM 512 CG ARG A 36 -10.478 -11.894 -3.184 1.00 0.00 C ATOM 513 CD ARG A 36 -11.147 -13.224 -3.538 1.00 0.00 C ATOM 514 NE ARG A 36 -12.425 -13.227 -2.774 1.00 0.00 N ATOM 515 CZ ARG A 36 -12.446 -13.655 -1.541 1.00 0.00 C ATOM 516 NH1 ARG A 36 -11.795 -14.738 -1.215 1.00 0.00 N ATOM 517 NH2 ARG A 36 -13.117 -12.999 -0.634 1.00 0.00 N ATOM 0 H ARG A 36 -7.592 -14.118 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.066 -12.792 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.850 -12.813 -2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.502 -11.190 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.943 -11.465 -2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.616 -11.178 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.328 -13.302 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.518 -14.069 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.283 -12.895 -3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.270 -15.250 -1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.811 -15.072 -0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.625 -12.152 -0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.133 -13.333 0.329 1.00 0.00 H new ATOM 531 N GLY A 37 -6.028 -12.310 -4.775 1.00 0.00 N ATOM 532 CA GLY A 37 -4.887 -11.475 -5.242 1.00 0.00 C ATOM 533 C GLY A 37 -4.174 -10.875 -4.029 1.00 0.00 C ATOM 534 O GLY A 37 -4.537 -11.129 -2.898 1.00 0.00 O ATOM 0 H GLY A 37 -5.793 -13.275 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.192 -12.080 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.246 -10.681 -5.897 1.00 0.00 H new ATOM 538 N LYS A 38 -3.171 -10.068 -4.249 1.00 0.00 N ATOM 539 CA LYS A 38 -2.460 -9.449 -3.110 1.00 0.00 C ATOM 540 C LYS A 38 -3.068 -8.075 -2.837 1.00 0.00 C ATOM 541 O LYS A 38 -3.630 -7.454 -3.717 1.00 0.00 O ATOM 542 CB LYS A 38 -0.996 -9.344 -3.564 1.00 0.00 C ATOM 543 CG LYS A 38 -0.320 -10.709 -3.441 1.00 0.00 C ATOM 544 CD LYS A 38 -0.569 -11.521 -4.715 1.00 0.00 C ATOM 545 CE LYS A 38 0.771 -11.911 -5.347 1.00 0.00 C ATOM 546 NZ LYS A 38 0.575 -11.722 -6.811 1.00 0.00 N ATOM 0 H LYS A 38 -2.818 -9.815 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.537 -10.021 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.949 -8.996 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.468 -8.610 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.751 -10.583 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.711 -11.243 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.146 -12.416 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.159 -10.937 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.581 -11.285 -4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.032 -12.943 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.451 -11.970 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.198 -12.336 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.334 -10.729 -7.004 1.00 0.00 H new ATOM 560 N VAL A 39 -2.955 -7.584 -1.642 1.00 0.00 N ATOM 561 CA VAL A 39 -3.521 -6.246 -1.350 1.00 0.00 C ATOM 562 C VAL A 39 -2.713 -5.210 -2.138 1.00 0.00 C ATOM 563 O VAL A 39 -2.293 -5.447 -3.253 1.00 0.00 O ATOM 564 CB VAL A 39 -3.324 -6.042 0.169 1.00 0.00 C ATOM 565 CG1 VAL A 39 -4.302 -4.992 0.696 1.00 0.00 C ATOM 566 CG2 VAL A 39 -3.559 -7.353 0.924 1.00 0.00 C ATOM 0 H VAL A 39 -2.497 -8.048 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.571 -6.150 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.300 -5.707 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.151 -4.859 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.129 -4.045 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.324 -5.322 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.416 -7.189 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.577 -7.699 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.852 -8.106 0.575 1.00 0.00 H new ATOM 576 N VAL A 40 -2.471 -4.090 -1.550 1.00 0.00 N ATOM 577 CA VAL A 40 -1.671 -3.025 -2.195 1.00 0.00 C ATOM 578 C VAL A 40 -1.233 -2.127 -1.063 1.00 0.00 C ATOM 579 O VAL A 40 -2.023 -1.412 -0.480 1.00 0.00 O ATOM 580 CB VAL A 40 -2.607 -2.310 -3.158 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.989 -0.972 -3.562 1.00 0.00 C ATOM 582 CG2 VAL A 40 -2.804 -3.176 -4.404 1.00 0.00 C ATOM 0 H VAL A 40 -2.805 -3.856 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.800 -3.372 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.569 -2.137 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.657 -0.456 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.840 -0.357 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.029 -1.147 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.474 -2.668 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.841 -3.344 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.237 -4.134 -4.116 1.00 0.00 H new ATOM 592 N GLU A 41 -0.009 -2.230 -0.678 1.00 0.00 N ATOM 593 CA GLU A 41 0.434 -1.459 0.497 1.00 0.00 C ATOM 594 C GLU A 41 1.632 -0.563 0.182 1.00 0.00 C ATOM 595 O GLU A 41 2.761 -0.887 0.488 1.00 0.00 O ATOM 596 CB GLU A 41 0.809 -2.533 1.523 1.00 0.00 C ATOM 597 CG GLU A 41 -0.139 -3.735 1.409 1.00 0.00 C ATOM 598 CD GLU A 41 0.351 -4.660 0.289 1.00 0.00 C ATOM 599 OE1 GLU A 41 1.554 -4.814 0.161 1.00 0.00 O ATOM 600 OE2 GLU A 41 -0.481 -5.187 -0.428 1.00 0.00 O ATOM 0 H GLU A 41 0.703 -2.811 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.341 -0.780 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.837 -2.856 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.760 -2.117 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.174 -4.276 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.153 -3.395 1.198 1.00 0.00 H new ATOM 607 N LEU A 42 1.396 0.574 -0.404 1.00 0.00 N ATOM 608 CA LEU A 42 2.524 1.495 -0.696 1.00 0.00 C ATOM 609 C LEU A 42 2.854 2.278 0.580 1.00 0.00 C ATOM 610 O LEU A 42 2.367 1.962 1.647 1.00 0.00 O ATOM 611 CB LEU A 42 2.026 2.454 -1.788 1.00 0.00 C ATOM 612 CG LEU A 42 1.006 1.761 -2.695 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.405 2.201 -2.305 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.273 2.158 -4.143 1.00 0.00 C ATOM 0 H LEU A 42 0.475 0.904 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 42 3.418 0.965 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.573 3.332 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.869 2.805 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 42 1.094 0.680 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.131 1.708 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.597 1.928 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.494 3.281 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.549 1.667 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.180 3.239 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.281 1.852 -4.424 1.00 0.00 H new ATOM 626 N GLY A 43 3.658 3.300 0.488 1.00 0.00 N ATOM 627 CA GLY A 43 3.980 4.091 1.721 1.00 0.00 C ATOM 628 C GLY A 43 5.289 4.866 1.541 1.00 0.00 C ATOM 629 O GLY A 43 5.578 5.375 0.480 1.00 0.00 O ATOM 0 H GLY A 43 4.103 3.623 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.167 4.785 1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.063 3.422 2.577 1.00 0.00 H new ATOM 633 N CYS A 44 6.078 4.977 2.578 1.00 0.00 N ATOM 634 CA CYS A 44 7.356 5.729 2.465 1.00 0.00 C ATOM 635 C CYS A 44 8.543 4.782 2.633 1.00 0.00 C ATOM 636 O CYS A 44 8.410 3.693 3.154 1.00 0.00 O ATOM 637 CB CYS A 44 7.331 6.730 3.614 1.00 0.00 C ATOM 638 SG CYS A 44 5.711 7.531 3.714 1.00 0.00 S ATOM 0 H CYS A 44 5.890 4.578 3.498 1.00 0.00 H new ATOM 0 HA CYS A 44 7.458 6.213 1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.552 6.222 4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.107 7.481 3.468 1.00 0.00 H new ATOM 643 N ALA A 45 9.708 5.187 2.206 1.00 0.00 N ATOM 644 CA ALA A 45 10.892 4.305 2.357 1.00 0.00 C ATOM 645 C ALA A 45 12.183 5.057 2.019 1.00 0.00 C ATOM 646 O ALA A 45 12.205 5.929 1.171 1.00 0.00 O ATOM 647 CB ALA A 45 10.666 3.162 1.369 1.00 0.00 C ATOM 0 H ALA A 45 9.887 6.087 1.761 1.00 0.00 H new ATOM 0 HA ALA A 45 11.001 3.949 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.502 2.465 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.743 2.640 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.592 3.564 0.359 1.00 0.00 H new ATOM 653 N ALA A 46 13.262 4.713 2.671 1.00 0.00 N ATOM 654 CA ALA A 46 14.558 5.390 2.384 1.00 0.00 C ATOM 655 C ALA A 46 15.064 4.950 1.009 1.00 0.00 C ATOM 656 O ALA A 46 15.748 5.678 0.317 1.00 0.00 O ATOM 657 CB ALA A 46 15.506 4.916 3.486 1.00 0.00 C ATOM 0 H ALA A 46 13.301 3.991 3.391 1.00 0.00 H new ATOM 0 HA ALA A 46 14.474 6.477 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.486 5.372 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.108 5.206 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.601 3.831 3.442 1.00 0.00 H new ATOM 663 N THR A 47 14.717 3.757 0.616 1.00 0.00 N ATOM 664 CA THR A 47 15.148 3.229 -0.709 1.00 0.00 C ATOM 665 C THR A 47 14.354 1.959 -1.016 1.00 0.00 C ATOM 666 O THR A 47 14.238 1.087 -0.182 1.00 0.00 O ATOM 667 CB THR A 47 16.634 2.911 -0.557 1.00 0.00 C ATOM 668 OG1 THR A 47 16.982 2.911 0.820 1.00 0.00 O ATOM 669 CG2 THR A 47 17.463 3.964 -1.295 1.00 0.00 C ATOM 0 H THR A 47 14.144 3.116 1.165 1.00 0.00 H new ATOM 0 HA THR A 47 14.978 3.935 -1.522 1.00 0.00 H new ATOM 0 HB THR A 47 16.838 1.928 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.935 2.705 0.916 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.523 3.735 -1.185 1.00 0.00 H new ATOM 0 HG22 THR A 47 17.199 3.960 -2.352 1.00 0.00 H new ATOM 0 HG23 THR A 47 17.259 4.948 -0.874 1.00 0.00 H new ATOM 677 N CYS A 48 13.798 1.857 -2.196 1.00 0.00 N ATOM 678 CA CYS A 48 12.990 0.649 -2.553 1.00 0.00 C ATOM 679 C CYS A 48 13.624 -0.622 -1.974 1.00 0.00 C ATOM 680 O CYS A 48 14.494 -1.216 -2.580 1.00 0.00 O ATOM 681 CB CYS A 48 13.008 0.611 -4.082 1.00 0.00 C ATOM 682 SG CYS A 48 11.427 1.218 -4.725 1.00 0.00 S ATOM 0 H CYS A 48 13.868 2.560 -2.931 1.00 0.00 H new ATOM 0 HA CYS A 48 11.978 0.698 -2.151 1.00 0.00 H new ATOM 0 HB2 CYS A 48 13.826 1.224 -4.461 1.00 0.00 H new ATOM 0 HB3 CYS A 48 13.186 -0.407 -4.428 1.00 0.00 H new ATOM 687 N PRO A 49 13.164 -0.988 -0.804 1.00 0.00 N ATOM 688 CA PRO A 49 13.672 -2.181 -0.104 1.00 0.00 C ATOM 689 C PRO A 49 12.768 -3.388 -0.373 1.00 0.00 C ATOM 690 O PRO A 49 11.798 -3.297 -1.095 1.00 0.00 O ATOM 691 CB PRO A 49 13.570 -1.764 1.360 1.00 0.00 C ATOM 692 CG PRO A 49 12.486 -0.715 1.412 1.00 0.00 C ATOM 693 CD PRO A 49 12.133 -0.329 -0.009 1.00 0.00 C ATOM 0 HA PRO A 49 14.675 -2.476 -0.413 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.321 -2.616 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.518 -1.365 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.608 -1.101 1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.828 0.157 1.969 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.135 -0.671 -0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.148 0.752 -0.147 1.00 0.00 H new ATOM 701 N SER A 50 13.071 -4.512 0.219 1.00 0.00 N ATOM 702 CA SER A 50 12.220 -5.723 0.018 1.00 0.00 C ATOM 703 C SER A 50 12.208 -6.153 -1.454 1.00 0.00 C ATOM 704 O SER A 50 11.455 -7.021 -1.847 1.00 0.00 O ATOM 705 CB SER A 50 10.821 -5.294 0.457 1.00 0.00 C ATOM 706 OG SER A 50 10.927 -4.421 1.574 1.00 0.00 O ATOM 0 H SER A 50 13.873 -4.645 0.835 1.00 0.00 H new ATOM 0 HA SER A 50 12.592 -6.577 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.307 -4.793 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.225 -6.168 0.719 1.00 0.00 H new ATOM 0 HG SER A 50 10.031 -4.142 1.857 1.00 0.00 H new ATOM 712 N LYS A 51 13.035 -5.560 -2.269 1.00 0.00 N ATOM 713 CA LYS A 51 13.061 -5.949 -3.709 1.00 0.00 C ATOM 714 C LYS A 51 14.170 -6.975 -3.954 1.00 0.00 C ATOM 715 O LYS A 51 15.288 -6.625 -4.273 1.00 0.00 O ATOM 716 CB LYS A 51 13.356 -4.651 -4.464 1.00 0.00 C ATOM 717 CG LYS A 51 12.188 -4.324 -5.397 1.00 0.00 C ATOM 718 CD LYS A 51 12.672 -4.347 -6.848 1.00 0.00 C ATOM 719 CE LYS A 51 11.965 -5.472 -7.607 1.00 0.00 C ATOM 720 NZ LYS A 51 12.324 -5.255 -9.036 1.00 0.00 N ATOM 0 H LYS A 51 13.692 -4.826 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 51 12.126 -6.405 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.511 -3.835 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.276 -4.754 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.385 -5.048 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.779 -3.343 -5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.468 -3.388 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.751 -4.496 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.296 -6.451 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.886 -5.430 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.876 -5.988 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.990 -4.318 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.357 -5.307 -9.146 1.00 0.00 H new ATOM 734 N LYS A 52 13.876 -8.239 -3.803 1.00 0.00 N ATOM 735 CA LYS A 52 14.930 -9.268 -4.028 1.00 0.00 C ATOM 736 C LYS A 52 14.336 -10.682 -4.040 1.00 0.00 C ATOM 737 O LYS A 52 14.433 -11.383 -5.028 1.00 0.00 O ATOM 738 CB LYS A 52 15.894 -9.104 -2.853 1.00 0.00 C ATOM 739 CG LYS A 52 17.129 -8.325 -3.310 1.00 0.00 C ATOM 740 CD LYS A 52 18.393 -9.084 -2.900 1.00 0.00 C ATOM 741 CE LYS A 52 18.892 -8.555 -1.553 1.00 0.00 C ATOM 742 NZ LYS A 52 18.588 -9.639 -0.577 1.00 0.00 N ATOM 0 H LYS A 52 12.960 -8.600 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 52 15.421 -9.137 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.401 -8.578 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.188 -10.082 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.108 -8.191 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.129 -7.330 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.182 -10.151 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.165 -8.962 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.960 -8.340 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.388 -7.627 -1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.902 -9.350 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.563 -9.817 -0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.087 -10.508 -0.857 1.00 0.00 H new ATOM 756 N PRO A 53 13.757 -11.067 -2.932 1.00 0.00 N ATOM 757 CA PRO A 53 13.168 -12.424 -2.816 1.00 0.00 C ATOM 758 C PRO A 53 11.875 -12.550 -3.630 1.00 0.00 C ATOM 759 O PRO A 53 11.889 -12.943 -4.779 1.00 0.00 O ATOM 760 CB PRO A 53 12.881 -12.565 -1.324 1.00 0.00 C ATOM 761 CG PRO A 53 12.732 -11.164 -0.824 1.00 0.00 C ATOM 762 CD PRO A 53 13.595 -10.290 -1.696 1.00 0.00 C ATOM 0 HA PRO A 53 13.832 -13.198 -3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.975 -13.145 -1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.693 -13.082 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.690 -10.847 -0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.040 -11.092 0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.121 -9.328 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 53 14.557 -10.083 -1.226 1.00 0.00 H new ATOM 770 N TYR A 54 10.756 -12.243 -3.032 1.00 0.00 N ATOM 771 CA TYR A 54 9.455 -12.373 -3.763 1.00 0.00 C ATOM 772 C TYR A 54 8.513 -11.213 -3.422 1.00 0.00 C ATOM 773 O TYR A 54 7.391 -11.162 -3.885 1.00 0.00 O ATOM 774 CB TYR A 54 8.840 -13.709 -3.301 1.00 0.00 C ATOM 775 CG TYR A 54 9.404 -14.119 -1.956 1.00 0.00 C ATOM 776 CD1 TYR A 54 9.332 -13.241 -0.869 1.00 0.00 C ATOM 777 CD2 TYR A 54 10.012 -15.371 -1.805 1.00 0.00 C ATOM 778 CE1 TYR A 54 9.866 -13.614 0.369 1.00 0.00 C ATOM 779 CE2 TYR A 54 10.547 -15.744 -0.567 1.00 0.00 C ATOM 780 CZ TYR A 54 10.474 -14.865 0.521 1.00 0.00 C ATOM 781 OH TYR A 54 11.002 -15.233 1.741 1.00 0.00 O ATOM 0 H TYR A 54 10.682 -11.908 -2.071 1.00 0.00 H new ATOM 0 HA TYR A 54 9.610 -12.348 -4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.756 -13.612 -3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.045 -14.484 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.864 -12.275 -0.986 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.068 -16.049 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.809 -12.936 1.208 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.016 -16.710 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 54 11.385 -16.132 1.674 1.00 0.00 H new ATOM 791 N GLU A 55 8.950 -10.283 -2.620 1.00 0.00 N ATOM 792 CA GLU A 55 8.063 -9.138 -2.265 1.00 0.00 C ATOM 793 C GLU A 55 7.858 -8.241 -3.490 1.00 0.00 C ATOM 794 O GLU A 55 8.786 -7.947 -4.216 1.00 0.00 O ATOM 795 CB GLU A 55 8.814 -8.382 -1.167 1.00 0.00 C ATOM 796 CG GLU A 55 8.546 -9.046 0.185 1.00 0.00 C ATOM 797 CD GLU A 55 9.836 -9.071 1.007 1.00 0.00 C ATOM 798 OE1 GLU A 55 10.849 -8.621 0.496 1.00 0.00 O ATOM 799 OE2 GLU A 55 9.790 -9.538 2.132 1.00 0.00 O ATOM 0 H GLU A 55 9.878 -10.265 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 55 7.076 -9.461 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.883 -8.381 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.493 -7.341 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.770 -8.500 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.177 -10.061 0.037 1.00 0.00 H new ATOM 806 N GLU A 56 6.651 -7.802 -3.723 1.00 0.00 N ATOM 807 CA GLU A 56 6.394 -6.922 -4.898 1.00 0.00 C ATOM 808 C GLU A 56 6.348 -5.466 -4.440 1.00 0.00 C ATOM 809 O GLU A 56 5.313 -4.957 -4.061 1.00 0.00 O ATOM 810 CB GLU A 56 5.031 -7.365 -5.434 1.00 0.00 C ATOM 811 CG GLU A 56 4.981 -7.150 -6.948 1.00 0.00 C ATOM 812 CD GLU A 56 5.238 -5.675 -7.264 1.00 0.00 C ATOM 813 OE1 GLU A 56 6.392 -5.320 -7.440 1.00 0.00 O ATOM 814 OE2 GLU A 56 4.277 -4.927 -7.323 1.00 0.00 O ATOM 0 H GLU A 56 5.833 -8.014 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 56 7.168 -6.998 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.861 -8.416 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.236 -6.798 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.728 -7.773 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.008 -7.452 -7.337 1.00 0.00 H new ATOM 821 N VAL A 57 7.465 -4.794 -4.451 1.00 0.00 N ATOM 822 CA VAL A 57 7.477 -3.378 -3.991 1.00 0.00 C ATOM 823 C VAL A 57 8.078 -2.457 -5.054 1.00 0.00 C ATOM 824 O VAL A 57 8.855 -2.875 -5.890 1.00 0.00 O ATOM 825 CB VAL A 57 8.339 -3.388 -2.732 1.00 0.00 C ATOM 826 CG1 VAL A 57 9.617 -4.182 -2.997 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.697 -1.951 -2.348 1.00 0.00 C ATOM 0 H VAL A 57 8.366 -5.162 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 57 6.472 -3.002 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 57 7.787 -3.853 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.234 -4.190 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.360 -5.206 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.171 -3.718 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.313 -1.957 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.250 -1.484 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.784 -1.387 -2.158 1.00 0.00 H new ATOM 837 N THR A 58 7.724 -1.201 -5.020 1.00 0.00 N ATOM 838 CA THR A 58 8.267 -0.236 -6.015 1.00 0.00 C ATOM 839 C THR A 58 8.524 1.106 -5.331 1.00 0.00 C ATOM 840 O THR A 58 8.529 1.201 -4.120 1.00 0.00 O ATOM 841 CB THR A 58 7.181 -0.103 -7.086 1.00 0.00 C ATOM 842 OG1 THR A 58 5.996 -0.752 -6.647 1.00 0.00 O ATOM 843 CG2 THR A 58 7.665 -0.748 -8.386 1.00 0.00 C ATOM 0 H THR A 58 7.077 -0.800 -4.340 1.00 0.00 H new ATOM 0 HA THR A 58 9.211 -0.566 -6.449 1.00 0.00 H new ATOM 0 HB THR A 58 6.972 0.953 -7.260 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.877 -0.601 -5.686 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.892 -0.654 -9.149 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.572 -0.248 -8.725 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.876 -1.803 -8.212 1.00 0.00 H new ATOM 851 N CYS A 59 8.729 2.147 -6.087 1.00 0.00 N ATOM 852 CA CYS A 59 8.975 3.472 -5.453 1.00 0.00 C ATOM 853 C CYS A 59 8.049 4.532 -6.018 1.00 0.00 C ATOM 854 O CYS A 59 7.310 4.310 -6.957 1.00 0.00 O ATOM 855 CB CYS A 59 10.398 3.856 -5.818 1.00 0.00 C ATOM 856 SG CYS A 59 11.553 3.230 -4.567 1.00 0.00 S ATOM 0 H CYS A 59 8.737 2.140 -7.107 1.00 0.00 H new ATOM 0 HA CYS A 59 8.808 3.408 -4.378 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.653 3.449 -6.796 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.483 4.940 -5.892 1.00 0.00 H new ATOM 861 N CYS A 60 8.130 5.700 -5.467 1.00 0.00 N ATOM 862 CA CYS A 60 7.306 6.825 -5.971 1.00 0.00 C ATOM 863 C CYS A 60 7.745 8.127 -5.286 1.00 0.00 C ATOM 864 O CYS A 60 7.508 8.337 -4.114 1.00 0.00 O ATOM 865 CB CYS A 60 5.843 6.420 -5.672 1.00 0.00 C ATOM 866 SG CYS A 60 4.924 7.710 -4.771 1.00 0.00 S ATOM 0 H CYS A 60 8.738 5.929 -4.680 1.00 0.00 H new ATOM 0 HA CYS A 60 7.419 7.013 -7.039 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.332 6.204 -6.610 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.838 5.500 -5.087 1.00 0.00 H new ATOM 871 N SER A 61 8.398 8.997 -6.011 1.00 0.00 N ATOM 872 CA SER A 61 8.868 10.275 -5.401 1.00 0.00 C ATOM 873 C SER A 61 8.043 11.467 -5.905 1.00 0.00 C ATOM 874 O SER A 61 8.227 12.583 -5.461 1.00 0.00 O ATOM 875 CB SER A 61 10.322 10.411 -5.849 1.00 0.00 C ATOM 876 OG SER A 61 10.360 10.669 -7.247 1.00 0.00 O ATOM 0 H SER A 61 8.626 8.878 -6.998 1.00 0.00 H new ATOM 0 HA SER A 61 8.763 10.265 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.808 11.221 -5.305 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.872 9.498 -5.621 1.00 0.00 H new ATOM 0 HG SER A 61 11.292 10.759 -7.538 1.00 0.00 H new ATOM 882 N THR A 62 7.140 11.255 -6.829 1.00 0.00 N ATOM 883 CA THR A 62 6.330 12.400 -7.339 1.00 0.00 C ATOM 884 C THR A 62 5.169 12.697 -6.386 1.00 0.00 C ATOM 885 O THR A 62 5.020 12.068 -5.358 1.00 0.00 O ATOM 886 CB THR A 62 5.801 11.944 -8.699 1.00 0.00 C ATOM 887 OG1 THR A 62 6.598 10.873 -9.183 1.00 0.00 O ATOM 888 CG2 THR A 62 5.856 13.111 -9.686 1.00 0.00 C ATOM 0 H THR A 62 6.931 10.349 -7.248 1.00 0.00 H new ATOM 0 HA THR A 62 6.919 13.314 -7.417 1.00 0.00 H new ATOM 0 HB THR A 62 4.769 11.608 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.258 10.580 -10.054 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.479 12.786 -10.656 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.242 13.931 -9.314 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.887 13.449 -9.793 1.00 0.00 H new ATOM 896 N ASP A 63 4.344 13.651 -6.721 1.00 0.00 N ATOM 897 CA ASP A 63 3.192 13.984 -5.836 1.00 0.00 C ATOM 898 C ASP A 63 2.121 12.897 -5.949 1.00 0.00 C ATOM 899 O ASP A 63 1.655 12.585 -7.026 1.00 0.00 O ATOM 900 CB ASP A 63 2.661 15.319 -6.360 1.00 0.00 C ATOM 901 CG ASP A 63 3.581 16.451 -5.900 1.00 0.00 C ATOM 902 OD1 ASP A 63 4.773 16.213 -5.796 1.00 0.00 O ATOM 903 OD2 ASP A 63 3.078 17.536 -5.660 1.00 0.00 O ATOM 0 H ASP A 63 4.418 14.214 -7.568 1.00 0.00 H new ATOM 0 HA ASP A 63 3.477 14.047 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.608 15.299 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.648 15.488 -5.994 1.00 0.00 H new ATOM 908 N LYS A 64 1.732 12.313 -4.849 1.00 0.00 N ATOM 909 CA LYS A 64 0.697 11.242 -4.909 1.00 0.00 C ATOM 910 C LYS A 64 1.064 10.232 -5.998 1.00 0.00 C ATOM 911 O LYS A 64 0.248 9.860 -6.817 1.00 0.00 O ATOM 912 CB LYS A 64 -0.602 11.967 -5.260 1.00 0.00 C ATOM 913 CG LYS A 64 -1.774 10.987 -5.182 1.00 0.00 C ATOM 914 CD LYS A 64 -3.075 11.727 -5.499 1.00 0.00 C ATOM 915 CE LYS A 64 -4.040 10.781 -6.217 1.00 0.00 C ATOM 916 NZ LYS A 64 -5.061 11.671 -6.836 1.00 0.00 N ATOM 0 H LYS A 64 2.084 12.529 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 64 0.609 10.689 -3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.763 12.798 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.535 12.390 -6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.626 10.169 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.827 10.544 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.529 12.097 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.868 12.596 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.523 10.188 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.498 10.080 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.759 11.095 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.541 12.218 -6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.597 12.323 -7.500 1.00 0.00 H new ATOM 930 N CYS A 65 2.288 9.781 -6.003 1.00 0.00 N ATOM 931 CA CYS A 65 2.712 8.782 -7.032 1.00 0.00 C ATOM 932 C CYS A 65 2.515 7.365 -6.489 1.00 0.00 C ATOM 933 O CYS A 65 2.994 6.397 -7.046 1.00 0.00 O ATOM 934 CB CYS A 65 4.187 9.063 -7.364 1.00 0.00 C ATOM 935 SG CYS A 65 5.143 9.384 -5.866 1.00 0.00 S ATOM 0 H CYS A 65 3.014 10.058 -5.342 1.00 0.00 H new ATOM 0 HA CYS A 65 2.112 8.865 -7.939 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.612 8.211 -7.894 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.255 9.921 -8.033 1.00 0.00 H new ATOM 940 N ASN A 66 1.792 7.242 -5.405 1.00 0.00 N ATOM 941 CA ASN A 66 1.531 5.900 -4.816 1.00 0.00 C ATOM 942 C ASN A 66 0.054 5.470 -4.996 1.00 0.00 C ATOM 943 O ASN A 66 -0.453 4.728 -4.179 1.00 0.00 O ATOM 944 CB ASN A 66 1.822 6.087 -3.324 1.00 0.00 C ATOM 945 CG ASN A 66 3.033 5.254 -2.916 1.00 0.00 C ATOM 946 OD1 ASN A 66 3.111 4.783 -1.799 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.988 5.056 -3.773 1.00 0.00 N ATOM 0 H ASN A 66 1.369 8.022 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 66 2.138 5.130 -5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.007 7.140 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.953 5.791 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.804 4.505 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.922 5.452 -4.711 1.00 0.00 H new ATOM 954 N PRO A 67 -0.615 5.953 -6.026 1.00 0.00 N ATOM 955 CA PRO A 67 -2.041 5.590 -6.215 1.00 0.00 C ATOM 956 C PRO A 67 -2.179 4.208 -6.853 1.00 0.00 C ATOM 957 O PRO A 67 -2.091 4.066 -8.056 1.00 0.00 O ATOM 958 CB PRO A 67 -2.561 6.654 -7.173 1.00 0.00 C ATOM 959 CG PRO A 67 -1.361 7.119 -7.935 1.00 0.00 C ATOM 960 CD PRO A 67 -0.144 6.856 -7.084 1.00 0.00 C ATOM 0 HA PRO A 67 -2.585 5.550 -5.271 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.318 6.245 -7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.026 7.477 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.284 6.591 -8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.443 8.181 -8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.655 6.399 -7.667 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.254 7.781 -6.667 1.00 0.00 H new ATOM 968 N HIS A 68 -2.421 3.190 -6.075 1.00 0.00 N ATOM 969 CA HIS A 68 -2.589 1.845 -6.687 1.00 0.00 C ATOM 970 C HIS A 68 -3.825 1.876 -7.589 1.00 0.00 C ATOM 971 O HIS A 68 -4.766 2.597 -7.325 1.00 0.00 O ATOM 972 CB HIS A 68 -2.756 0.869 -5.519 1.00 0.00 C ATOM 973 CG HIS A 68 -4.047 1.129 -4.801 1.00 0.00 C ATOM 974 ND1 HIS A 68 -4.397 2.057 -3.855 1.00 0.00 N flip ATOM 975 CD2 HIS A 68 -5.179 0.360 -5.017 1.00 0.00 C flip ATOM 976 CE1 HIS A 68 -5.729 1.872 -3.490 1.00 0.00 C flip ATOM 977 NE2 HIS A 68 -6.151 0.835 -4.222 1.00 0.00 N flip ATOM 0 H HIS A 68 -2.508 3.229 -5.060 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.742 1.542 -7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.738 -0.156 -5.888 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.920 0.973 -4.827 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -3.777 2.773 -3.476 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.264 -0.471 -5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.298 2.443 -2.771 1.00 0.00 H new ATOM 985 N PRO A 69 -3.766 1.122 -8.648 1.00 0.00 N ATOM 986 CA PRO A 69 -4.880 1.098 -9.626 1.00 0.00 C ATOM 987 C PRO A 69 -6.093 0.333 -9.090 1.00 0.00 C ATOM 988 O PRO A 69 -6.158 -0.877 -9.171 1.00 0.00 O ATOM 989 CB PRO A 69 -4.280 0.378 -10.830 1.00 0.00 C ATOM 990 CG PRO A 69 -3.174 -0.463 -10.273 1.00 0.00 C ATOM 991 CD PRO A 69 -2.671 0.225 -9.029 1.00 0.00 C ATOM 0 HA PRO A 69 -5.249 2.097 -9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.026 -0.236 -11.334 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.903 1.088 -11.566 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.534 -1.465 -10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -2.371 -0.574 -11.002 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.450 -0.492 -8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.752 0.778 -9.223 1.00 0.00 H new ATOM 999 N LYS A 70 -7.070 1.030 -8.567 1.00 0.00 N ATOM 1000 CA LYS A 70 -8.286 0.329 -8.062 1.00 0.00 C ATOM 1001 C LYS A 70 -9.179 1.272 -7.253 1.00 0.00 C ATOM 1002 O LYS A 70 -9.399 1.066 -6.076 1.00 0.00 O ATOM 1003 CB LYS A 70 -7.772 -0.787 -7.148 1.00 0.00 C ATOM 1004 CG LYS A 70 -8.047 -2.184 -7.733 1.00 0.00 C ATOM 1005 CD LYS A 70 -9.310 -2.216 -8.615 1.00 0.00 C ATOM 1006 CE LYS A 70 -10.458 -1.444 -7.949 1.00 0.00 C ATOM 1007 NZ LYS A 70 -10.987 -0.545 -9.015 1.00 0.00 N ATOM 0 H LYS A 70 -7.078 2.045 -8.469 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.884 -0.048 -8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.700 -0.664 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.247 -0.703 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.188 -2.503 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.158 -2.900 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.090 -1.780 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.612 -3.249 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.230 -2.121 -7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.104 -0.873 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.278 0.360 -8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.246 -0.374 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.806 -0.993 -9.472 1.00 0.00 H new ATOM 1021 N GLN A 71 -9.716 2.287 -7.863 1.00 0.00 N ATOM 1022 CA GLN A 71 -10.607 3.204 -7.100 1.00 0.00 C ATOM 1023 C GLN A 71 -12.071 2.863 -7.393 1.00 0.00 C ATOM 1024 O GLN A 71 -12.912 3.735 -7.473 1.00 0.00 O ATOM 1025 CB GLN A 71 -10.262 4.611 -7.591 1.00 0.00 C ATOM 1026 CG GLN A 71 -8.745 4.786 -7.620 1.00 0.00 C ATOM 1027 CD GLN A 71 -8.348 5.873 -6.626 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -7.585 5.568 -5.617 1.00 0.00 O flip ATOM 1029 NE2 GLN A 71 -8.739 7.015 -6.768 1.00 0.00 N flip ATOM 0 H GLN A 71 -9.580 2.522 -8.846 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.468 3.118 -6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.676 4.771 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.712 5.356 -6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.253 3.847 -7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.417 5.056 -8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.337 7.255 -7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.469 7.734 -6.096 1.00 0.00 H new ATOM 1104 N ARG B 2 -11.021 -2.918 1.841 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.537 -2.966 1.697 1.00 0.00 C ATOM 1106 C ARG B 2 -9.087 -2.176 0.478 1.00 0.00 C ATOM 1107 O ARG B 2 -9.827 -1.993 -0.468 1.00 0.00 O ATOM 1108 CB ARG B 2 -9.191 -4.447 1.475 1.00 0.00 C ATOM 1109 CG ARG B 2 -8.393 -4.973 2.671 1.00 0.00 C ATOM 1110 CD ARG B 2 -9.192 -6.071 3.377 1.00 0.00 C ATOM 1111 NE ARG B 2 -8.672 -6.084 4.773 1.00 0.00 N ATOM 1112 CZ ARG B 2 -9.502 -6.041 5.779 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -10.289 -7.053 6.019 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -9.543 -4.987 6.547 1.00 0.00 N ATOM 0 HA ARG B 2 -9.048 -2.541 2.574 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -10.104 -5.029 1.350 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -8.611 -4.562 0.559 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -7.433 -5.366 2.336 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.180 -4.160 3.365 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -10.261 -5.858 3.355 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -9.049 -7.037 2.893 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.667 -6.127 4.942 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -10.256 -7.878 5.420 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -10.938 -7.019 6.805 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.926 -4.196 6.361 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -10.192 -4.954 7.333 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.849 -1.778 0.457 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.323 -1.083 -0.745 1.00 0.00 C ATOM 1130 C TYR B 3 -6.607 -2.160 -1.530 1.00 0.00 C ATOM 1131 O TYR B 3 -5.499 -1.995 -1.993 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.320 -0.012 -0.289 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.476 0.286 1.182 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -5.756 -0.461 2.118 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -7.335 1.306 1.607 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -5.893 -0.191 3.482 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -7.471 1.577 2.972 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.749 0.828 3.909 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.881 1.092 5.252 1.00 0.00 O ATOM 0 H TYR B 3 -7.181 -1.903 1.217 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.099 -0.597 -1.336 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.304 -0.352 -0.489 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.470 0.900 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -5.094 -1.247 1.787 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -7.891 1.882 0.883 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -5.338 -0.769 4.206 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.133 2.364 3.303 1.00 0.00 H new ATOM 0 HH TYR B 3 -7.815 1.314 5.452 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.247 -3.287 -1.640 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.641 -4.432 -2.344 1.00 0.00 C ATOM 1151 C TYR B 4 -6.487 -4.107 -3.811 1.00 0.00 C ATOM 1152 O TYR B 4 -6.672 -2.989 -4.250 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.668 -5.555 -2.197 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.132 -6.680 -1.345 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.834 -6.463 0.005 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -6.957 -7.952 -1.906 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -6.361 -7.519 0.794 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.481 -9.004 -1.119 1.00 0.00 C ATOM 1159 CZ TYR B 4 -6.184 -8.789 0.231 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.722 -9.831 1.007 1.00 0.00 O ATOM 0 H TYR B 4 -8.179 -3.460 -1.264 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.659 -4.689 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.580 -5.160 -1.750 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.935 -5.937 -3.182 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.969 -5.483 0.438 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.190 -8.119 -2.947 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -6.133 -7.354 1.837 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -6.342 -9.983 -1.553 1.00 0.00 H new ATOM 0 HH TYR B 4 -4.811 -10.065 0.732 1.00 0.00 H new ATOM 1170 N GLU B 5 -6.165 -5.092 -4.567 1.00 0.00 N ATOM 1171 CA GLU B 5 -6.007 -4.880 -6.033 1.00 0.00 C ATOM 1172 C GLU B 5 -7.363 -5.042 -6.735 1.00 0.00 C ATOM 1173 O GLU B 5 -7.431 -5.370 -7.902 1.00 0.00 O ATOM 1174 CB GLU B 5 -5.011 -5.945 -6.499 1.00 0.00 C ATOM 1175 CG GLU B 5 -5.728 -7.282 -6.700 1.00 0.00 C ATOM 1176 CD GLU B 5 -4.923 -8.394 -6.034 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -4.031 -8.921 -6.677 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -5.215 -8.702 -4.891 1.00 0.00 O ATOM 0 H GLU B 5 -6.000 -6.046 -4.245 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.648 -3.878 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -4.541 -5.632 -7.431 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.215 -6.057 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -6.730 -7.238 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -5.844 -7.489 -7.764 1.00 0.00 H new ATOM 1185 N SER B 6 -8.444 -4.812 -6.032 1.00 0.00 N ATOM 1186 CA SER B 6 -9.786 -4.952 -6.668 1.00 0.00 C ATOM 1187 C SER B 6 -10.744 -3.850 -6.190 1.00 0.00 C ATOM 1188 O SER B 6 -11.901 -3.837 -6.558 1.00 0.00 O ATOM 1189 CB SER B 6 -10.291 -6.323 -6.223 1.00 0.00 C ATOM 1190 OG SER B 6 -11.712 -6.318 -6.210 1.00 0.00 O ATOM 0 H SER B 6 -8.454 -4.535 -5.050 1.00 0.00 H new ATOM 0 HA SER B 6 -9.729 -4.861 -7.753 1.00 0.00 H new ATOM 0 HB2 SER B 6 -9.925 -7.095 -6.899 1.00 0.00 H new ATOM 0 HB3 SER B 6 -9.908 -6.560 -5.231 1.00 0.00 H new ATOM 0 HG SER B 6 -12.041 -5.542 -6.709 1.00 0.00 H new ATOM 1196 N SER B 7 -10.268 -2.922 -5.388 1.00 0.00 N ATOM 1197 CA SER B 7 -11.142 -1.806 -4.884 1.00 0.00 C ATOM 1198 C SER B 7 -10.528 -1.193 -3.620 1.00 0.00 C ATOM 1199 O SER B 7 -9.739 -1.819 -2.941 1.00 0.00 O ATOM 1200 CB SER B 7 -12.493 -2.441 -4.543 1.00 0.00 C ATOM 1201 OG SER B 7 -13.185 -1.601 -3.629 1.00 0.00 O ATOM 0 H SER B 7 -9.303 -2.889 -5.058 1.00 0.00 H new ATOM 0 HA SER B 7 -11.246 -1.016 -5.628 1.00 0.00 H new ATOM 0 HB2 SER B 7 -13.083 -2.578 -5.449 1.00 0.00 H new ATOM 0 HB3 SER B 7 -12.345 -3.429 -4.107 1.00 0.00 H new ATOM 0 HG SER B 7 -14.052 -2.002 -3.408 1.00 0.00 H new ATOM 1207 N LEU B 8 -10.888 0.020 -3.288 1.00 0.00 N ATOM 1208 CA LEU B 8 -10.323 0.648 -2.056 1.00 0.00 C ATOM 1209 C LEU B 8 -11.397 1.452 -1.312 1.00 0.00 C ATOM 1210 O LEU B 8 -11.093 2.278 -0.474 1.00 0.00 O ATOM 1211 CB LEU B 8 -9.197 1.568 -2.536 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.683 2.443 -3.692 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -10.436 3.654 -3.140 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.474 2.927 -4.491 1.00 0.00 C ATOM 0 H LEU B 8 -11.544 0.599 -3.812 1.00 0.00 H new ATOM 0 HA LEU B 8 -9.957 -0.105 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -8.856 2.197 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -8.343 0.972 -2.856 1.00 0.00 H new ATOM 0 HG LEU B 8 -10.348 1.864 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -10.781 4.276 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -11.293 3.315 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.771 4.236 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -8.811 3.552 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -7.817 3.507 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -7.930 2.068 -4.884 1.00 0.00 H new