USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 617 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 44 THR OG1 : rot 120:sc= 1.19 USER MOD Set 1.2: A 57 THR OG1 : rot -145:sc= 1.19 USER MOD Set 1.3: A 73 TYR OH : rot -102:sc= 1.38 USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= -0.0729 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.385 X(o=-0.46,f=-0.85) USER MOD Set 2.3: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 159:sc= 0.611 (180deg=0) USER MOD Set 3.2: A 45 TYR OH : rot 180:sc= 0.554 USER MOD Single : A 1 SER N :NH3+ -147:sc= 0.114 (180deg=0) USER MOD Single : A 1 SER OG : rot 49:sc= 0.25 USER MOD Single : A 2 HIS : no HD1:sc= -0.981 K(o=-0.98,f=-0.43) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -2.86! K(o=-2.9!,f=-0.72) USER MOD Single : A 16 ASN : amide:sc= 0.196 X(o=0.2,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.743 K(o=-0.74,f=-3.5!) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00405 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 160:sc= -0.262 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 0.792 (180deg=-1.48!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 74:sc= 1.51 USER MOD Single : A 39 CYS SG : rot 86:sc= -1.03! USER MOD Single : A 43 ASN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 47 CYS SG : rot 51:sc= -1.03 USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0609) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 112:sc= 1.13 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.302 -7.307 17.090 1.00 0.00 N ATOM 2 CA SER A 1 4.675 -7.721 15.810 1.00 0.00 C ATOM 3 C SER A 1 4.328 -6.512 14.927 1.00 0.00 C ATOM 4 O SER A 1 3.309 -5.888 15.169 1.00 0.00 O ATOM 5 CB SER A 1 3.404 -8.529 16.144 1.00 0.00 C ATOM 6 OG SER A 1 2.621 -7.869 17.140 1.00 0.00 O ATOM 0 H1 SER A 1 5.992 -8.026 17.387 1.00 0.00 H new ATOM 0 H2 SER A 1 5.786 -6.395 16.961 1.00 0.00 H new ATOM 0 H3 SER A 1 4.568 -7.209 17.820 1.00 0.00 H new ATOM 0 HA SER A 1 5.380 -8.330 15.243 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.809 -8.666 15.241 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.683 -9.522 16.496 1.00 0.00 H new ATOM 0 HG SER A 1 2.507 -6.927 16.895 1.00 0.00 H new ATOM 13 N HIS A 2 5.170 -6.155 13.943 1.00 0.00 N ATOM 14 CA HIS A 2 5.033 -4.927 13.110 1.00 0.00 C ATOM 15 C HIS A 2 5.650 -5.108 11.692 1.00 0.00 C ATOM 16 O HIS A 2 4.989 -5.633 10.791 1.00 0.00 O ATOM 17 CB HIS A 2 5.684 -3.750 13.892 1.00 0.00 C ATOM 18 CG HIS A 2 4.986 -3.359 15.157 1.00 0.00 C ATOM 19 ND1 HIS A 2 5.589 -3.122 16.363 1.00 0.00 N ATOM 20 CD2 HIS A 2 3.655 -3.062 15.296 1.00 0.00 C ATOM 21 CE1 HIS A 2 4.640 -2.714 17.210 1.00 0.00 C ATOM 22 NE2 HIS A 2 3.437 -2.697 16.626 1.00 0.00 N ATOM 0 H HIS A 2 5.984 -6.716 13.692 1.00 0.00 H new ATOM 0 HA HIS A 2 3.979 -4.713 12.935 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.712 -4.020 14.132 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.728 -2.880 13.237 1.00 0.00 H new ATOM 0 HD2 HIS A 2 2.909 -3.103 14.516 1.00 0.00 H new ATOM 0 HE1 HIS A 2 4.821 -2.433 18.237 1.00 0.00 H new ATOM 0 HE2 HIS A 2 2.545 -2.465 17.062 1.00 0.00 H new ATOM 30 N MET A 3 6.950 -4.787 11.481 1.00 0.00 N ATOM 31 CA MET A 3 7.805 -5.012 10.281 1.00 0.00 C ATOM 32 C MET A 3 7.994 -6.495 9.859 1.00 0.00 C ATOM 33 O MET A 3 9.058 -6.885 9.388 1.00 0.00 O ATOM 34 CB MET A 3 9.160 -4.300 10.482 1.00 0.00 C ATOM 35 CG MET A 3 10.020 -4.859 11.632 1.00 0.00 C ATOM 36 SD MET A 3 11.730 -4.264 11.575 1.00 0.00 S ATOM 37 CE MET A 3 12.459 -5.193 12.950 1.00 0.00 C ATOM 0 H MET A 3 7.481 -4.319 12.215 1.00 0.00 H new ATOM 0 HA MET A 3 7.265 -4.578 9.440 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.730 -4.366 9.555 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.974 -3.242 10.667 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.573 -4.578 12.585 1.00 0.00 H new ATOM 0 HG3 MET A 3 10.016 -5.948 11.587 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.514 -4.935 13.044 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.940 -4.941 13.875 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.362 -6.262 12.759 1.00 0.00 H new ATOM 47 N THR A 4 6.988 -7.325 10.118 1.00 0.00 N ATOM 48 CA THR A 4 7.001 -8.773 9.948 1.00 0.00 C ATOM 49 C THR A 4 6.087 -9.198 8.818 1.00 0.00 C ATOM 50 O THR A 4 6.589 -9.676 7.806 1.00 0.00 O ATOM 51 CB THR A 4 6.682 -9.437 11.286 1.00 0.00 C ATOM 52 OG1 THR A 4 7.395 -8.819 12.341 1.00 0.00 O ATOM 53 CG2 THR A 4 7.002 -10.926 11.252 1.00 0.00 C ATOM 0 H THR A 4 6.093 -6.986 10.471 1.00 0.00 H new ATOM 0 HA THR A 4 7.994 -9.109 9.650 1.00 0.00 H new ATOM 0 HB THR A 4 5.614 -9.314 11.463 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.173 -9.260 13.188 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.765 -11.371 12.218 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.409 -11.408 10.475 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.062 -11.066 11.039 1.00 0.00 H new ATOM 61 N ALA A 5 4.778 -8.937 8.927 1.00 0.00 N ATOM 62 CA ALA A 5 3.825 -9.271 7.867 1.00 0.00 C ATOM 63 C ALA A 5 3.749 -8.162 6.797 1.00 0.00 C ATOM 64 O ALA A 5 3.796 -8.441 5.604 1.00 0.00 O ATOM 65 CB ALA A 5 2.466 -9.544 8.518 1.00 0.00 C ATOM 0 H ALA A 5 4.356 -8.494 9.743 1.00 0.00 H new ATOM 0 HA ALA A 5 4.157 -10.164 7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.737 -9.796 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.558 -10.376 9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.134 -8.655 9.054 1.00 0.00 H new ATOM 71 N VAL A 6 3.704 -6.907 7.247 1.00 0.00 N ATOM 72 CA VAL A 6 3.664 -5.706 6.393 1.00 0.00 C ATOM 73 C VAL A 6 4.889 -5.641 5.495 1.00 0.00 C ATOM 74 O VAL A 6 4.801 -5.248 4.336 1.00 0.00 O ATOM 75 CB VAL A 6 3.470 -4.418 7.228 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.775 -3.819 7.778 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.716 -3.382 6.389 1.00 0.00 C ATOM 0 H VAL A 6 3.694 -6.686 8.243 1.00 0.00 H new ATOM 0 HA VAL A 6 2.793 -5.781 5.742 1.00 0.00 H new ATOM 0 HB VAL A 6 2.890 -4.699 8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.549 -2.919 8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.266 -4.547 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.436 -3.565 6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.577 -2.472 6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.291 -3.153 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.743 -3.783 6.104 1.00 0.00 H new ATOM 87 N GLN A 7 6.017 -6.097 6.044 1.00 0.00 N ATOM 88 CA GLN A 7 7.321 -6.108 5.419 1.00 0.00 C ATOM 89 C GLN A 7 7.418 -7.091 4.251 1.00 0.00 C ATOM 90 O GLN A 7 7.827 -6.727 3.152 1.00 0.00 O ATOM 91 CB GLN A 7 8.317 -6.493 6.533 1.00 0.00 C ATOM 92 CG GLN A 7 9.771 -6.745 6.097 1.00 0.00 C ATOM 93 CD GLN A 7 10.396 -5.441 5.648 1.00 0.00 C ATOM 94 OE1 GLN A 7 11.323 -4.884 6.231 1.00 0.00 O ATOM 95 NE2 GLN A 7 9.820 -4.823 4.642 1.00 0.00 N ATOM 0 H GLN A 7 6.035 -6.487 6.986 1.00 0.00 H new ATOM 0 HA GLN A 7 7.534 -5.130 4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.317 -5.699 7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.948 -7.393 7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.342 -7.169 6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.798 -7.472 5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.049 -5.268 4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 7 10.144 -3.898 4.358 1.00 0.00 H new ATOM 104 N ASP A 8 7.038 -8.319 4.557 1.00 0.00 N ATOM 105 CA ASP A 8 6.971 -9.491 3.686 1.00 0.00 C ATOM 106 C ASP A 8 5.981 -9.277 2.525 1.00 0.00 C ATOM 107 O ASP A 8 6.333 -9.515 1.366 1.00 0.00 O ATOM 108 CB ASP A 8 6.605 -10.693 4.574 1.00 0.00 C ATOM 109 CG ASP A 8 6.488 -12.031 3.839 1.00 0.00 C ATOM 110 OD1 ASP A 8 7.443 -12.434 3.131 1.00 0.00 O ATOM 111 OD2 ASP A 8 5.450 -12.702 4.013 1.00 0.00 O1- ATOM 0 H ASP A 8 6.741 -8.547 5.506 1.00 0.00 H new ATOM 0 HA ASP A 8 7.931 -9.674 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.358 -10.790 5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.657 -10.484 5.069 1.00 0.00 H new ATOM 116 N PHE A 9 4.780 -8.757 2.813 1.00 0.00 N ATOM 117 CA PHE A 9 3.839 -8.296 1.789 1.00 0.00 C ATOM 118 C PHE A 9 4.458 -7.178 0.958 1.00 0.00 C ATOM 119 O PHE A 9 4.396 -7.229 -0.264 1.00 0.00 O ATOM 120 CB PHE A 9 2.542 -7.755 2.410 1.00 0.00 C ATOM 121 CG PHE A 9 1.693 -6.984 1.394 1.00 0.00 C ATOM 122 CD1 PHE A 9 1.911 -5.601 1.232 1.00 0.00 C ATOM 123 CD2 PHE A 9 0.787 -7.648 0.550 1.00 0.00 C ATOM 124 CE1 PHE A 9 1.219 -4.882 0.249 1.00 0.00 C ATOM 125 CE2 PHE A 9 0.082 -6.915 -0.423 1.00 0.00 C ATOM 126 CZ PHE A 9 0.287 -5.533 -0.565 1.00 0.00 C ATOM 0 H PHE A 9 4.435 -8.645 3.766 1.00 0.00 H new ATOM 0 HA PHE A 9 3.610 -9.159 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.960 -8.584 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.787 -7.101 3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.617 -5.092 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.633 -8.713 0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.405 -3.826 0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.623 -7.420 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.273 -4.975 -1.300 1.00 0.00 H new ATOM 136 N VAL A 10 5.059 -6.167 1.600 1.00 0.00 N ATOM 137 CA VAL A 10 5.732 -5.095 0.846 1.00 0.00 C ATOM 138 C VAL A 10 6.715 -5.653 -0.183 1.00 0.00 C ATOM 139 O VAL A 10 6.581 -5.280 -1.346 1.00 0.00 O ATOM 140 CB VAL A 10 6.348 -4.033 1.779 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.460 -3.162 1.174 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.218 -3.099 2.223 1.00 0.00 C ATOM 0 H VAL A 10 5.095 -6.067 2.614 1.00 0.00 H new ATOM 0 HA VAL A 10 4.971 -4.570 0.269 1.00 0.00 H new ATOM 0 HB VAL A 10 6.820 -4.590 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.815 -2.454 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.286 -3.797 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.068 -2.617 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.619 -2.333 2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.773 -2.625 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.457 -3.674 2.751 1.00 0.00 H new ATOM 152 N VAL A 11 7.607 -6.597 0.174 1.00 0.00 N ATOM 153 CA VAL A 11 8.593 -7.151 -0.785 1.00 0.00 C ATOM 154 C VAL A 11 7.938 -7.898 -1.992 1.00 0.00 C ATOM 155 O VAL A 11 8.538 -8.000 -3.067 1.00 0.00 O ATOM 156 CB VAL A 11 9.693 -7.963 -0.064 1.00 0.00 C ATOM 157 CG1 VAL A 11 10.642 -8.711 -1.020 1.00 0.00 C ATOM 158 CG2 VAL A 11 10.535 -6.972 0.764 1.00 0.00 C ATOM 0 H VAL A 11 7.668 -6.992 1.112 1.00 0.00 H new ATOM 0 HA VAL A 11 9.096 -6.301 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 11 9.195 -8.718 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.386 -9.257 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.069 -9.412 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.143 -7.994 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.323 -7.513 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.982 -6.232 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.896 -6.470 1.490 1.00 0.00 H new ATOM 168 N ASP A 12 6.695 -8.364 -1.836 1.00 0.00 N ATOM 169 CA ASP A 12 5.866 -8.994 -2.897 1.00 0.00 C ATOM 170 C ASP A 12 5.447 -7.987 -3.985 1.00 0.00 C ATOM 171 O ASP A 12 5.378 -8.341 -5.152 1.00 0.00 O ATOM 172 CB ASP A 12 4.611 -9.599 -2.250 1.00 0.00 C ATOM 173 CG ASP A 12 3.811 -10.625 -3.049 1.00 0.00 C ATOM 174 OD1 ASP A 12 2.620 -10.773 -2.692 1.00 0.00 O ATOM 175 OD2 ASP A 12 4.349 -11.330 -3.928 1.00 0.00 O1- ATOM 0 H ASP A 12 6.211 -8.317 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 12 6.465 -9.765 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.912 -10.068 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.940 -8.779 -1.995 1.00 0.00 H new ATOM 180 N ILE A 13 5.218 -6.709 -3.640 1.00 0.00 N ATOM 181 CA ILE A 13 5.000 -5.551 -4.545 1.00 0.00 C ATOM 182 C ILE A 13 6.331 -4.943 -5.006 1.00 0.00 C ATOM 183 O ILE A 13 6.376 -4.247 -6.016 1.00 0.00 O ATOM 184 CB ILE A 13 4.054 -4.575 -3.828 1.00 0.00 C ATOM 185 CG1 ILE A 13 2.590 -5.076 -3.783 1.00 0.00 C ATOM 186 CG2 ILE A 13 4.026 -3.260 -4.600 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.325 -6.280 -2.886 1.00 0.00 C ATOM 0 H ILE A 13 5.176 -6.431 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 13 4.521 -5.854 -5.476 1.00 0.00 H new ATOM 0 HB ILE A 13 4.430 -4.471 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.955 -4.254 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.281 -5.328 -4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.357 -2.559 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.031 -2.839 -4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.670 -3.441 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.268 -6.543 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.924 -7.125 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.593 -6.034 -1.858 1.00 0.00 H new ATOM 199 N LEU A 14 7.422 -5.203 -4.290 1.00 0.00 N ATOM 200 CA LEU A 14 8.716 -4.521 -4.438 1.00 0.00 C ATOM 201 C LEU A 14 9.644 -5.119 -5.519 1.00 0.00 C ATOM 202 O LEU A 14 9.997 -4.494 -6.507 1.00 0.00 O ATOM 203 CB LEU A 14 9.392 -4.720 -3.068 1.00 0.00 C ATOM 204 CG LEU A 14 10.340 -3.712 -2.434 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.837 -2.638 -3.350 1.00 0.00 C ATOM 206 CD2 LEU A 14 9.517 -3.095 -1.337 1.00 0.00 C ATOM 0 H LEU A 14 7.435 -5.919 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 14 8.548 -3.488 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.586 -4.874 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.944 -5.658 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 14 11.250 -4.217 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.504 -1.973 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.378 -3.090 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.991 -2.068 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.112 -2.348 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.635 -2.620 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.207 -3.869 -0.636 1.00 0.00 H new ATOM 218 N LEU A 15 10.093 -6.337 -5.251 1.00 0.00 N ATOM 219 CA LEU A 15 11.140 -7.067 -5.967 1.00 0.00 C ATOM 220 C LEU A 15 10.516 -8.181 -6.754 1.00 0.00 C ATOM 221 O LEU A 15 10.933 -8.433 -7.880 1.00 0.00 O ATOM 222 CB LEU A 15 12.154 -7.643 -4.964 1.00 0.00 C ATOM 223 CG LEU A 15 12.861 -6.600 -4.072 1.00 0.00 C ATOM 224 CD1 LEU A 15 13.899 -7.286 -3.163 1.00 0.00 C ATOM 225 CD2 LEU A 15 13.555 -5.496 -4.885 1.00 0.00 C ATOM 0 H LEU A 15 9.713 -6.881 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 15 11.658 -6.388 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.640 -8.358 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.912 -8.199 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 15 12.083 -6.131 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.389 -6.537 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.399 -8.016 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.644 -7.790 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.035 -4.791 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.307 -5.942 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.816 -4.971 -5.490 1.00 0.00 H new ATOM 237 N ASN A 16 9.499 -8.826 -6.158 1.00 0.00 N ATOM 238 CA ASN A 16 8.596 -9.662 -6.915 1.00 0.00 C ATOM 239 C ASN A 16 7.671 -8.758 -7.739 1.00 0.00 C ATOM 240 O ASN A 16 7.310 -9.162 -8.847 1.00 0.00 O ATOM 241 CB ASN A 16 7.769 -10.596 -6.008 1.00 0.00 C ATOM 242 CG ASN A 16 8.600 -11.499 -5.112 1.00 0.00 C ATOM 243 OD1 ASN A 16 8.905 -12.643 -5.439 1.00 0.00 O ATOM 244 ND2 ASN A 16 8.984 -11.016 -3.936 1.00 0.00 N ATOM 0 H ASN A 16 9.295 -8.775 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 16 9.183 -10.304 -7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.113 -9.989 -5.384 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.128 -11.216 -6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.534 -11.595 -3.302 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.729 -10.066 -3.667 1.00 0.00 H new ATOM 251 N GLY A 17 7.351 -7.528 -7.275 1.00 0.00 N ATOM 252 CA GLY A 17 6.441 -6.683 -8.048 1.00 0.00 C ATOM 253 C GLY A 17 4.980 -7.130 -7.970 1.00 0.00 C ATOM 254 O GLY A 17 4.636 -8.315 -7.911 1.00 0.00 O ATOM 0 H GLY A 17 7.697 -7.120 -6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.518 -5.656 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.757 -6.681 -9.091 1.00 0.00 H new ATOM 258 N ALA A 18 4.117 -6.121 -8.029 1.00 0.00 N ATOM 259 CA ALA A 18 2.666 -6.206 -7.997 1.00 0.00 C ATOM 260 C ALA A 18 2.028 -6.984 -9.174 1.00 0.00 C ATOM 261 O ALA A 18 2.683 -7.498 -10.078 1.00 0.00 O ATOM 262 CB ALA A 18 2.154 -4.756 -7.955 1.00 0.00 C ATOM 0 H ALA A 18 4.438 -5.156 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 18 2.372 -6.785 -7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.064 -4.756 -7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.538 -4.260 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.497 -4.223 -8.842 1.00 0.00 H new ATOM 268 N ARG A 19 0.691 -6.959 -9.167 1.00 0.00 N ATOM 269 CA ARG A 19 -0.131 -6.749 -10.367 1.00 0.00 C ATOM 270 C ARG A 19 0.396 -5.599 -11.221 1.00 0.00 C ATOM 271 O ARG A 19 1.498 -5.086 -11.106 1.00 0.00 O ATOM 272 CB ARG A 19 -1.612 -6.530 -9.967 1.00 0.00 C ATOM 273 CG ARG A 19 -2.254 -7.534 -9.019 1.00 0.00 C ATOM 274 CD ARG A 19 -2.069 -9.005 -9.360 1.00 0.00 C ATOM 275 NE ARG A 19 -2.220 -9.270 -10.801 1.00 0.00 N ATOM 276 CZ ARG A 19 -1.356 -9.971 -11.538 1.00 0.00 C ATOM 277 NH1 ARG A 19 -0.267 -10.519 -11.021 1.00 0.00 N ATOM 278 NH2 ARG A 19 -1.528 -10.030 -12.849 1.00 0.00 N ATOM 0 H ARG A 19 0.141 -7.086 -8.318 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.070 -7.647 -10.982 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.692 -5.543 -9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.205 -6.508 -10.881 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.854 -7.363 -8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.323 -7.326 -8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.080 -9.329 -9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.797 -9.598 -8.806 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.043 -8.891 -11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.065 -10.412 -10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.370 -11.048 -11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.313 -9.544 -13.283 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.876 -10.562 -13.425 1.00 0.00 H new ATOM 292 N ASP A 20 -0.497 -5.180 -12.083 1.00 0.00 N ATOM 293 CA ASP A 20 -0.466 -4.149 -13.097 1.00 0.00 C ATOM 294 C ASP A 20 0.053 -2.751 -12.649 1.00 0.00 C ATOM 295 O ASP A 20 0.132 -1.834 -13.468 1.00 0.00 O ATOM 296 CB ASP A 20 -1.927 -4.119 -13.572 1.00 0.00 C ATOM 297 CG ASP A 20 -2.218 -4.952 -14.822 1.00 0.00 C ATOM 298 OD1 ASP A 20 -1.667 -6.086 -14.931 1.00 0.00 O ATOM 299 OD2 ASP A 20 -3.013 -4.460 -15.644 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.413 -5.630 -12.089 1.00 0.00 H new ATOM 0 HA ASP A 20 0.263 -4.382 -13.873 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.564 -4.473 -12.761 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.208 -3.085 -13.770 1.00 0.00 H new ATOM 304 N TRP A 21 0.406 -2.560 -11.371 1.00 0.00 N ATOM 305 CA TRP A 21 1.037 -1.364 -10.838 1.00 0.00 C ATOM 306 C TRP A 21 2.450 -1.087 -11.408 1.00 0.00 C ATOM 307 O TRP A 21 3.114 -1.936 -12.008 1.00 0.00 O ATOM 308 CB TRP A 21 1.006 -1.432 -9.286 1.00 0.00 C ATOM 309 CG TRP A 21 -0.353 -1.696 -8.673 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.236 -2.672 -9.014 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.099 -0.828 -7.774 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.476 -2.409 -8.492 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.451 -1.263 -7.753 1.00 0.00 C ATOM 314 CE3 TRP A 21 -0.800 0.350 -7.062 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.449 -0.535 -7.136 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -1.804 1.086 -6.423 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.126 0.640 -6.455 1.00 0.00 C ATOM 0 H TRP A 21 0.249 -3.271 -10.656 1.00 0.00 H new ATOM 0 HA TRP A 21 0.461 -0.500 -11.170 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.691 -2.215 -8.960 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.387 -0.490 -8.891 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.994 -3.537 -9.614 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.302 -2.990 -8.636 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.223 0.692 -7.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.474 -0.873 -7.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.556 2.000 -5.904 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.899 1.204 -5.953 1.00 0.00 H new ATOM 328 N ASP A 22 2.873 0.148 -11.179 1.00 0.00 N ATOM 329 CA ASP A 22 4.249 0.626 -11.329 1.00 0.00 C ATOM 330 C ASP A 22 4.866 0.713 -9.939 1.00 0.00 C ATOM 331 O ASP A 22 4.155 0.954 -8.973 1.00 0.00 O ATOM 332 CB ASP A 22 4.234 1.977 -12.069 1.00 0.00 C ATOM 333 CG ASP A 22 5.583 2.699 -12.108 1.00 0.00 C ATOM 334 OD1 ASP A 22 5.574 3.951 -12.121 1.00 0.00 O ATOM 335 OD2 ASP A 22 6.635 2.018 -12.117 1.00 0.00 O1- ATOM 0 H ASP A 22 2.238 0.883 -10.868 1.00 0.00 H new ATOM 0 HA ASP A 22 4.857 -0.053 -11.926 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.896 1.812 -13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.502 2.629 -11.592 1.00 0.00 H new ATOM 340 N VAL A 23 6.166 0.499 -9.795 1.00 0.00 N ATOM 341 CA VAL A 23 6.739 0.224 -8.474 1.00 0.00 C ATOM 342 C VAL A 23 7.530 1.455 -8.137 1.00 0.00 C ATOM 343 O VAL A 23 8.657 1.740 -8.543 1.00 0.00 O ATOM 344 CB VAL A 23 7.584 -1.069 -8.422 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.281 -1.277 -7.068 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.750 -2.300 -8.793 1.00 0.00 C ATOM 0 H VAL A 23 6.840 0.509 -10.561 1.00 0.00 H new ATOM 0 HA VAL A 23 5.958 0.029 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 23 8.369 -0.943 -9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.858 -2.201 -7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.948 -0.438 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.532 -1.340 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.376 -3.191 -8.746 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.920 -2.402 -8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.360 -2.184 -9.804 1.00 0.00 H new ATOM 356 N LEU A 24 6.829 2.174 -7.300 1.00 0.00 N ATOM 357 CA LEU A 24 7.175 3.483 -6.852 1.00 0.00 C ATOM 358 C LEU A 24 7.190 3.597 -5.326 1.00 0.00 C ATOM 359 O LEU A 24 6.140 3.602 -4.711 1.00 0.00 O ATOM 360 CB LEU A 24 6.171 4.428 -7.496 1.00 0.00 C ATOM 361 CG LEU A 24 6.377 5.011 -8.918 1.00 0.00 C ATOM 362 CD1 LEU A 24 6.432 6.549 -8.810 1.00 0.00 C ATOM 363 CD2 LEU A 24 7.669 4.587 -9.644 1.00 0.00 C ATOM 0 H LEU A 24 5.956 1.837 -6.895 1.00 0.00 H new ATOM 0 HA LEU A 24 8.193 3.737 -7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.214 3.907 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.064 5.278 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 24 5.542 4.621 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.577 6.978 -9.801 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.497 6.918 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.261 6.839 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.704 5.055 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.534 4.902 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.683 3.503 -9.758 1.00 0.00 H new ATOM 375 N GLN A 25 8.394 3.769 -4.760 1.00 0.00 N ATOM 376 CA GLN A 25 8.655 4.137 -3.451 1.00 0.00 C ATOM 377 C GLN A 25 8.903 5.692 -3.415 1.00 0.00 C ATOM 378 O GLN A 25 10.040 6.196 -3.433 1.00 0.00 O ATOM 379 CB GLN A 25 9.840 3.291 -3.021 1.00 0.00 C ATOM 380 CG GLN A 25 9.307 2.052 -2.274 1.00 0.00 C ATOM 381 CD GLN A 25 9.204 0.727 -3.021 1.00 0.00 C ATOM 382 OE1 GLN A 25 8.849 -0.277 -2.433 1.00 0.00 O ATOM 383 NE2 GLN A 25 9.558 0.582 -4.288 1.00 0.00 N ATOM 0 H GLN A 25 9.252 3.630 -5.293 1.00 0.00 H new ATOM 0 HA GLN A 25 7.837 3.958 -2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.425 2.988 -3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.503 3.867 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.946 1.891 -1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.313 2.296 -1.898 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.864 1.392 -4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.525 -0.339 -4.725 1.00 0.00 H new ATOM 392 N THR A 26 7.702 6.299 -3.237 1.00 0.00 N ATOM 393 CA THR A 26 7.458 7.617 -2.701 1.00 0.00 C ATOM 394 C THR A 26 6.758 7.617 -1.305 1.00 0.00 C ATOM 395 O THR A 26 6.588 6.580 -0.662 1.00 0.00 O ATOM 396 CB THR A 26 6.902 8.496 -3.828 1.00 0.00 C ATOM 397 OG1 THR A 26 6.799 9.831 -3.371 1.00 0.00 O ATOM 398 CG2 THR A 26 5.572 7.991 -4.395 1.00 0.00 C ATOM 0 H THR A 26 6.833 5.828 -3.489 1.00 0.00 H new ATOM 0 HA THR A 26 8.383 8.107 -2.395 1.00 0.00 H new ATOM 0 HB THR A 26 7.603 8.447 -4.661 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.446 10.396 -4.089 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.237 8.660 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.706 6.988 -4.799 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.825 7.965 -3.602 1.00 0.00 H new ATOM 406 N THR A 27 6.452 8.766 -0.710 1.00 0.00 N ATOM 407 CA THR A 27 5.665 8.811 0.531 1.00 0.00 C ATOM 408 C THR A 27 4.555 9.811 0.347 1.00 0.00 C ATOM 409 O THR A 27 4.753 10.817 -0.326 1.00 0.00 O ATOM 410 CB THR A 27 6.568 9.159 1.717 1.00 0.00 C ATOM 411 OG1 THR A 27 7.191 10.417 1.520 1.00 0.00 O ATOM 412 CG2 THR A 27 7.629 8.090 1.985 1.00 0.00 C ATOM 0 H THR A 27 6.734 9.681 -1.062 1.00 0.00 H new ATOM 0 HA THR A 27 5.226 7.837 0.748 1.00 0.00 H new ATOM 0 HB THR A 27 5.923 9.205 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.763 10.623 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.240 8.389 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.141 7.140 2.205 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.263 7.978 1.105 1.00 0.00 H new ATOM 420 N CYS A 28 3.368 9.490 0.857 1.00 0.00 N ATOM 421 CA CYS A 28 2.187 10.313 0.639 1.00 0.00 C ATOM 422 C CYS A 28 1.544 10.762 1.921 1.00 0.00 C ATOM 423 O CYS A 28 1.453 9.983 2.865 1.00 0.00 O ATOM 424 CB CYS A 28 1.221 9.494 -0.169 1.00 0.00 C ATOM 425 SG CYS A 28 -0.317 10.350 -0.559 1.00 0.00 S ATOM 0 H CYS A 28 3.201 8.661 1.427 1.00 0.00 H new ATOM 0 HA CYS A 28 2.479 11.224 0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.704 9.194 -1.099 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.988 8.581 0.378 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.889 9.774 -1.575 1.00 0.00 H new ATOM 431 N THR A 29 1.050 11.994 1.898 1.00 0.00 N ATOM 432 CA THR A 29 0.628 12.693 3.091 1.00 0.00 C ATOM 433 C THR A 29 -0.846 13.001 3.001 1.00 0.00 C ATOM 434 O THR A 29 -1.260 13.894 2.268 1.00 0.00 O ATOM 435 CB THR A 29 1.452 13.985 3.271 1.00 0.00 C ATOM 436 OG1 THR A 29 2.825 13.676 3.354 1.00 0.00 O ATOM 437 CG2 THR A 29 0.997 14.786 4.499 1.00 0.00 C ATOM 0 H THR A 29 0.933 12.534 1.041 1.00 0.00 H new ATOM 0 HA THR A 29 0.799 12.060 3.962 1.00 0.00 H new ATOM 0 HB THR A 29 1.283 14.615 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.340 14.502 3.466 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.602 15.688 4.590 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.051 15.062 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.116 14.177 5.395 1.00 0.00 H new ATOM 445 N VAL A 30 -1.604 12.241 3.785 1.00 0.00 N ATOM 446 CA VAL A 30 -3.092 12.223 3.837 1.00 0.00 C ATOM 447 C VAL A 30 -3.586 11.820 5.239 1.00 0.00 C ATOM 448 O VAL A 30 -2.885 11.101 5.938 1.00 0.00 O ATOM 449 CB VAL A 30 -3.709 11.286 2.763 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.249 11.226 2.792 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.300 11.689 1.344 1.00 0.00 C ATOM 0 H VAL A 30 -1.191 11.580 4.443 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.426 13.237 3.618 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.312 10.304 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.602 10.551 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.581 10.862 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.655 12.223 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.755 11.006 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.639 12.705 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.215 11.643 1.251 1.00 0.00 H new ATOM 461 N ASP A 31 -4.748 12.319 5.682 1.00 0.00 N ATOM 462 CA ASP A 31 -5.356 12.039 7.013 1.00 0.00 C ATOM 463 C ASP A 31 -4.567 12.715 8.139 1.00 0.00 C ATOM 464 O ASP A 31 -4.675 12.359 9.314 1.00 0.00 O ATOM 465 CB ASP A 31 -5.434 10.521 7.246 1.00 0.00 C ATOM 466 CG ASP A 31 -6.554 10.055 8.196 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.690 10.552 8.146 1.00 0.00 O ATOM 468 OD2 ASP A 31 -6.290 9.135 9.016 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.317 12.949 5.116 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.364 12.453 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.570 10.029 6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.478 10.182 7.645 1.00 0.00 H new ATOM 473 N ARG A 32 -3.770 13.723 7.737 1.00 0.00 N ATOM 474 CA ARG A 32 -2.760 14.443 8.545 1.00 0.00 C ATOM 475 C ARG A 32 -1.565 13.532 8.935 1.00 0.00 C ATOM 476 O ARG A 32 -0.797 13.822 9.850 1.00 0.00 O ATOM 477 CB ARG A 32 -3.386 15.076 9.802 1.00 0.00 C ATOM 478 CG ARG A 32 -4.678 15.870 9.505 1.00 0.00 C ATOM 479 CD ARG A 32 -5.486 16.227 10.757 1.00 0.00 C ATOM 480 NE ARG A 32 -5.809 15.039 11.574 1.00 0.00 N ATOM 481 CZ ARG A 32 -6.742 14.120 11.346 1.00 0.00 C ATOM 482 NH1 ARG A 32 -7.577 14.126 10.323 1.00 0.00 N ATOM 483 NH2 ARG A 32 -6.826 13.164 12.236 1.00 0.00 N ATOM 0 H ARG A 32 -3.814 14.080 6.783 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.374 15.244 7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.608 14.290 10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.658 15.740 10.267 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.416 16.788 8.979 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.306 15.285 8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.921 16.938 11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.410 16.724 10.461 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.248 14.908 12.416 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.534 14.877 9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.265 13.380 10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.198 13.159 13.040 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.519 12.424 12.126 1.00 0.00 H new ATOM 497 N LYS A 33 -1.458 12.399 8.247 1.00 0.00 N ATOM 498 CA LYS A 33 -0.498 11.320 8.429 1.00 0.00 C ATOM 499 C LYS A 33 0.248 11.181 7.100 1.00 0.00 C ATOM 500 O LYS A 33 -0.200 11.611 6.039 1.00 0.00 O ATOM 501 CB LYS A 33 -1.289 10.050 8.821 1.00 0.00 C ATOM 502 CG LYS A 33 -0.640 8.673 8.665 1.00 0.00 C ATOM 503 CD LYS A 33 0.468 8.338 9.668 1.00 0.00 C ATOM 504 CE LYS A 33 0.302 6.853 10.006 1.00 0.00 C ATOM 505 NZ LYS A 33 1.411 6.314 10.825 1.00 0.00 N ATOM 0 H LYS A 33 -2.099 12.197 7.480 1.00 0.00 H new ATOM 0 HA LYS A 33 0.231 11.502 9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.579 10.157 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.208 10.045 8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.419 7.915 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.227 8.599 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.452 8.533 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.382 8.953 10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.638 6.711 10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.232 6.282 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.045 5.580 11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.134 5.902 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.834 7.082 11.385 1.00 0.00 H new ATOM 519 N VAL A 34 1.414 10.578 7.161 1.00 0.00 N ATOM 520 CA VAL A 34 2.221 10.258 6.004 1.00 0.00 C ATOM 521 C VAL A 34 2.483 8.756 6.016 1.00 0.00 C ATOM 522 O VAL A 34 2.786 8.163 7.054 1.00 0.00 O ATOM 523 CB VAL A 34 3.541 11.030 6.006 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.384 10.815 4.735 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.409 12.520 6.357 1.00 0.00 C ATOM 0 H VAL A 34 1.839 10.288 8.042 1.00 0.00 H new ATOM 0 HA VAL A 34 1.687 10.548 5.099 1.00 0.00 H new ATOM 0 HB VAL A 34 4.095 10.581 6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.305 11.393 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.627 9.757 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.818 11.142 3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.393 12.988 6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.758 13.008 5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.982 12.622 7.354 1.00 0.00 H new ATOM 535 N TYR A 35 2.312 8.173 4.841 1.00 0.00 N ATOM 536 CA TYR A 35 2.453 6.767 4.523 1.00 0.00 C ATOM 537 C TYR A 35 3.551 6.603 3.494 1.00 0.00 C ATOM 538 O TYR A 35 3.878 7.539 2.772 1.00 0.00 O ATOM 539 CB TYR A 35 1.153 6.288 3.888 1.00 0.00 C ATOM 540 CG TYR A 35 -0.043 6.606 4.736 1.00 0.00 C ATOM 541 CD1 TYR A 35 -0.794 7.772 4.500 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.347 5.740 5.796 1.00 0.00 C ATOM 543 CE1 TYR A 35 -1.925 8.024 5.295 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.475 5.993 6.604 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.276 7.129 6.338 1.00 0.00 C ATOM 546 OH TYR A 35 -3.332 7.411 7.146 1.00 0.00 O ATOM 0 H TYR A 35 2.050 8.718 4.020 1.00 0.00 H new ATOM 0 HA TYR A 35 2.685 6.202 5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.036 6.753 2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.205 5.211 3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.506 8.462 3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.280 4.883 5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.528 8.901 5.112 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.725 5.327 7.417 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.438 6.696 7.808 1.00 0.00 H new ATOM 556 N LYS A 36 4.084 5.401 3.346 1.00 0.00 N ATOM 557 CA LYS A 36 5.123 5.151 2.359 1.00 0.00 C ATOM 558 C LYS A 36 4.597 4.234 1.260 1.00 0.00 C ATOM 559 O LYS A 36 4.098 3.158 1.578 1.00 0.00 O ATOM 560 CB LYS A 36 6.320 4.575 3.088 1.00 0.00 C ATOM 561 CG LYS A 36 6.770 5.288 4.378 1.00 0.00 C ATOM 562 CD LYS A 36 7.997 4.636 5.035 1.00 0.00 C ATOM 563 CE LYS A 36 9.089 4.326 4.002 1.00 0.00 C ATOM 564 NZ LYS A 36 10.449 4.391 4.572 1.00 0.00 N ATOM 0 H LYS A 36 3.815 4.584 3.895 1.00 0.00 H new ATOM 0 HA LYS A 36 5.429 6.071 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.097 3.537 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.163 4.564 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.999 6.329 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.944 5.292 5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.397 5.300 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.697 3.716 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.920 3.332 3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.012 5.032 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.146 4.173 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.625 5.347 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.536 3.699 5.343 1.00 0.00 H new ATOM 578 N THR A 37 4.628 4.682 0.005 1.00 0.00 N ATOM 579 CA THR A 37 4.028 4.036 -1.145 1.00 0.00 C ATOM 580 C THR A 37 4.963 2.917 -1.561 1.00 0.00 C ATOM 581 O THR A 37 6.169 3.011 -1.382 1.00 0.00 O ATOM 582 CB THR A 37 3.739 5.038 -2.281 1.00 0.00 C ATOM 583 OG1 THR A 37 4.866 5.290 -3.069 1.00 0.00 O ATOM 584 CG2 THR A 37 3.243 6.415 -1.819 1.00 0.00 C ATOM 0 H THR A 37 5.099 5.552 -0.242 1.00 0.00 H new ATOM 0 HA THR A 37 3.052 3.622 -0.893 1.00 0.00 H new ATOM 0 HB THR A 37 2.950 4.534 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.040 4.518 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.068 7.049 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.314 6.299 -1.261 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.995 6.877 -1.179 1.00 0.00 H new ATOM 592 N ILE A 38 4.423 1.871 -2.137 1.00 0.00 N ATOM 593 CA ILE A 38 5.196 0.780 -2.758 1.00 0.00 C ATOM 594 C ILE A 38 5.057 0.825 -4.262 1.00 0.00 C ATOM 595 O ILE A 38 5.991 0.589 -5.024 1.00 0.00 O ATOM 596 CB ILE A 38 4.642 -0.590 -2.336 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.014 -0.565 -0.920 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.860 -1.536 -2.347 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.421 -1.928 -0.545 1.00 0.00 C ATOM 0 H ILE A 38 3.414 1.735 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 38 6.231 0.909 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 38 3.846 -0.904 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.772 -0.283 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.234 0.196 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.545 -2.538 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.287 -1.567 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.610 -1.172 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.989 -1.874 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.645 -2.197 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.207 -2.683 -0.561 1.00 0.00 H new ATOM 611 N CYS A 39 3.821 1.089 -4.667 1.00 0.00 N ATOM 612 CA CYS A 39 3.394 0.978 -6.022 1.00 0.00 C ATOM 613 C CYS A 39 2.335 1.989 -6.271 1.00 0.00 C ATOM 614 O CYS A 39 1.566 2.334 -5.363 1.00 0.00 O ATOM 615 CB CYS A 39 2.910 -0.435 -6.276 1.00 0.00 C ATOM 616 SG CYS A 39 1.618 -1.020 -5.146 1.00 0.00 S ATOM 0 H CYS A 39 3.083 1.393 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 39 4.215 1.173 -6.712 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.533 -0.495 -7.297 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.762 -1.112 -6.211 1.00 0.00 H new ATOM 0 HG CYS A 39 0.453 -0.650 -5.590 1.00 0.00 H new ATOM 622 N LYS A 40 2.323 2.457 -7.510 1.00 0.00 N ATOM 623 CA LYS A 40 1.316 3.303 -8.011 1.00 0.00 C ATOM 624 C LYS A 40 0.564 2.618 -9.138 1.00 0.00 C ATOM 625 O LYS A 40 1.135 1.940 -9.987 1.00 0.00 O ATOM 626 CB LYS A 40 2.083 4.552 -8.456 1.00 0.00 C ATOM 627 CG LYS A 40 1.337 5.757 -8.967 1.00 0.00 C ATOM 628 CD LYS A 40 1.174 5.727 -10.488 1.00 0.00 C ATOM 629 CE LYS A 40 0.608 7.051 -11.032 1.00 0.00 C ATOM 630 NZ LYS A 40 1.614 8.154 -11.041 1.00 0.00 N ATOM 0 H LYS A 40 3.047 2.237 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 40 0.543 3.557 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.686 4.880 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.775 4.244 -9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.354 5.801 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.869 6.663 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.140 5.527 -10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.511 4.908 -10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.240 6.893 -12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.247 7.351 -10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.319 8.887 -11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.684 8.568 -10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.541 7.776 -11.323 1.00 0.00 H new ATOM 644 N ARG A 41 -0.732 2.843 -9.190 1.00 0.00 N ATOM 645 CA ARG A 41 -1.510 2.475 -10.350 1.00 0.00 C ATOM 646 C ARG A 41 -2.551 3.529 -10.595 1.00 0.00 C ATOM 647 O ARG A 41 -3.529 3.695 -9.883 1.00 0.00 O ATOM 648 CB ARG A 41 -2.143 1.109 -10.226 1.00 0.00 C ATOM 649 CG ARG A 41 -2.719 0.704 -11.584 1.00 0.00 C ATOM 650 CD ARG A 41 -3.829 -0.314 -11.328 1.00 0.00 C ATOM 651 NE ARG A 41 -4.454 -0.837 -12.555 1.00 0.00 N ATOM 652 CZ ARG A 41 -5.738 -0.699 -12.873 1.00 0.00 C ATOM 653 NH1 ARG A 41 -6.657 -0.296 -12.027 1.00 0.00 N ATOM 654 NH2 ARG A 41 -6.168 -0.961 -14.085 1.00 0.00 N ATOM 0 H ARG A 41 -1.268 3.280 -8.440 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.833 2.413 -11.202 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.403 0.379 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.930 1.126 -9.472 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.111 1.575 -12.109 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.943 0.274 -12.217 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.420 -1.147 -10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.598 0.149 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.857 -1.343 -13.210 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.401 -0.069 -11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.627 -0.210 -12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.514 -1.276 -14.801 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.156 -0.849 -14.311 1.00 0.00 H new ATOM 668 N GLY A 42 -2.328 4.242 -11.679 1.00 0.00 N ATOM 669 CA GLY A 42 -3.209 5.308 -12.127 1.00 0.00 C ATOM 670 C GLY A 42 -3.339 6.374 -11.056 1.00 0.00 C ATOM 671 O GLY A 42 -2.329 6.930 -10.640 1.00 0.00 O ATOM 0 H GLY A 42 -1.520 4.098 -12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.818 5.750 -13.043 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.192 4.900 -12.364 1.00 0.00 H new ATOM 675 N ASN A 43 -4.552 6.612 -10.561 1.00 0.00 N ATOM 676 CA ASN A 43 -4.807 7.593 -9.504 1.00 0.00 C ATOM 677 C ASN A 43 -4.454 7.117 -8.091 1.00 0.00 C ATOM 678 O ASN A 43 -4.820 7.806 -7.135 1.00 0.00 O ATOM 679 CB ASN A 43 -6.238 8.127 -9.596 1.00 0.00 C ATOM 680 CG ASN A 43 -7.350 7.229 -9.090 1.00 0.00 C ATOM 681 OD1 ASN A 43 -8.407 7.722 -8.737 1.00 0.00 O ATOM 682 ND2 ASN A 43 -7.195 5.915 -9.072 1.00 0.00 N ATOM 0 H ASN A 43 -5.391 6.128 -10.882 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.116 8.416 -9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.284 9.065 -9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.444 8.362 -10.640 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.960 5.315 -8.763 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.310 5.502 -9.367 1.00 0.00 H new ATOM 689 N THR A 44 -3.846 5.927 -7.955 1.00 0.00 N ATOM 690 CA THR A 44 -3.664 5.288 -6.637 1.00 0.00 C ATOM 691 C THR A 44 -2.237 4.845 -6.334 1.00 0.00 C ATOM 692 O THR A 44 -1.401 4.719 -7.226 1.00 0.00 O ATOM 693 CB THR A 44 -4.759 4.250 -6.393 1.00 0.00 C ATOM 694 OG1 THR A 44 -4.644 3.714 -5.093 1.00 0.00 O ATOM 695 CG2 THR A 44 -4.942 3.140 -7.410 1.00 0.00 C ATOM 0 H THR A 44 -3.473 5.388 -8.737 1.00 0.00 H new ATOM 0 HA THR A 44 -3.801 6.054 -5.874 1.00 0.00 H new ATOM 0 HB THR A 44 -5.672 4.833 -6.516 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.467 3.892 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.756 2.488 -7.094 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.180 3.573 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.022 2.561 -7.486 1.00 0.00 H new ATOM 703 N TYR A 45 -1.950 4.754 -5.039 1.00 0.00 N ATOM 704 CA TYR A 45 -0.684 4.736 -4.370 1.00 0.00 C ATOM 705 C TYR A 45 -0.964 3.911 -3.145 1.00 0.00 C ATOM 706 O TYR A 45 -1.638 4.324 -2.192 1.00 0.00 O ATOM 707 CB TYR A 45 -0.274 6.134 -3.911 1.00 0.00 C ATOM 708 CG TYR A 45 0.236 6.938 -5.042 1.00 0.00 C ATOM 709 CD1 TYR A 45 -0.702 7.545 -5.919 1.00 0.00 C ATOM 710 CD2 TYR A 45 1.633 7.047 -5.254 1.00 0.00 C ATOM 711 CE1 TYR A 45 -0.232 8.316 -7.011 1.00 0.00 C ATOM 712 CE2 TYR A 45 2.045 7.865 -6.334 1.00 0.00 C ATOM 713 CZ TYR A 45 1.139 8.502 -7.179 1.00 0.00 C ATOM 714 OH TYR A 45 1.643 9.223 -8.232 1.00 0.00 O ATOM 0 H TYR A 45 -2.709 4.683 -4.361 1.00 0.00 H new ATOM 0 HA TYR A 45 0.112 4.360 -5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.129 6.637 -3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.493 6.057 -3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.762 7.420 -5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.345 6.534 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.930 8.756 -7.707 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.102 8.000 -6.509 1.00 0.00 H new ATOM 0 HH TYR A 45 2.621 9.242 -8.177 1.00 0.00 H new ATOM 724 N LEU A 46 -0.457 2.704 -3.210 1.00 0.00 N ATOM 725 CA LEU A 46 -0.656 1.721 -2.196 1.00 0.00 C ATOM 726 C LEU A 46 0.528 1.824 -1.270 1.00 0.00 C ATOM 727 O LEU A 46 1.671 1.821 -1.726 1.00 0.00 O ATOM 728 CB LEU A 46 -0.791 0.415 -2.957 1.00 0.00 C ATOM 729 CG LEU A 46 -2.221 -0.088 -3.202 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.696 -1.010 -2.059 1.00 0.00 C ATOM 731 CD2 LEU A 46 -3.260 1.027 -3.313 1.00 0.00 C ATOM 0 H LEU A 46 0.116 2.380 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.538 1.830 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.299 0.530 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.246 -0.356 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.156 -0.617 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.712 -1.349 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.033 -1.872 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.679 -0.461 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.244 0.591 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.275 1.603 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.003 1.683 -4.145 1.00 0.00 H new ATOM 743 N CYS A 47 0.233 1.993 0.012 1.00 0.00 N ATOM 744 CA CYS A 47 1.181 2.403 1.022 1.00 0.00 C ATOM 745 C CYS A 47 1.087 1.501 2.248 1.00 0.00 C ATOM 746 O CYS A 47 0.148 0.711 2.391 1.00 0.00 O ATOM 747 CB CYS A 47 0.939 3.874 1.428 1.00 0.00 C ATOM 748 SG CYS A 47 0.543 4.964 0.042 1.00 0.00 S ATOM 0 H CYS A 47 -0.705 1.842 0.383 1.00 0.00 H new ATOM 0 HA CYS A 47 2.183 2.315 0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.124 3.911 2.151 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.829 4.252 1.932 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.413 4.438 -0.665 1.00 0.00 H new ATOM 754 N PHE A 48 2.027 1.694 3.173 1.00 0.00 N ATOM 755 CA PHE A 48 2.085 0.942 4.420 1.00 0.00 C ATOM 756 C PHE A 48 2.387 1.753 5.672 1.00 0.00 C ATOM 757 O PHE A 48 2.872 2.887 5.611 1.00 0.00 O ATOM 758 CB PHE A 48 3.062 -0.214 4.262 1.00 0.00 C ATOM 759 CG PHE A 48 4.527 0.090 4.216 1.00 0.00 C ATOM 760 CD1 PHE A 48 5.310 -0.129 5.358 1.00 0.00 C ATOM 761 CD2 PHE A 48 5.116 0.409 2.984 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.711 -0.095 5.242 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.513 0.479 2.876 1.00 0.00 C ATOM 764 CZ PHE A 48 7.315 0.210 4.004 1.00 0.00 C ATOM 0 H PHE A 48 2.774 2.382 3.075 1.00 0.00 H new ATOM 0 HA PHE A 48 1.073 0.576 4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.893 -0.906 5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.804 -0.743 3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.844 -0.321 6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.496 0.600 2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.327 -0.303 6.104 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.972 0.738 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.391 0.237 3.920 1.00 0.00 H new ATOM 774 N ASP A 49 2.027 1.145 6.801 1.00 0.00 N ATOM 775 CA ASP A 49 2.376 1.614 8.138 1.00 0.00 C ATOM 776 C ASP A 49 2.662 0.468 9.035 1.00 0.00 C ATOM 777 O ASP A 49 3.111 -0.580 8.574 1.00 0.00 O ATOM 778 CB ASP A 49 1.279 2.452 8.758 1.00 0.00 C ATOM 779 CG ASP A 49 1.680 3.471 9.817 1.00 0.00 C ATOM 780 OD1 ASP A 49 2.538 4.335 9.517 1.00 0.00 O ATOM 781 OD2 ASP A 49 1.035 3.497 10.884 1.00 0.00 O1- ATOM 0 H ASP A 49 1.470 0.290 6.810 1.00 0.00 H new ATOM 0 HA ASP A 49 3.264 2.236 8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.770 2.985 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.550 1.775 9.203 1.00 0.00 H new ATOM 786 N ASP A 50 2.420 0.688 10.324 1.00 0.00 N ATOM 787 CA ASP A 50 3.247 -0.003 11.258 1.00 0.00 C ATOM 788 C ASP A 50 2.833 -1.491 11.349 1.00 0.00 C ATOM 789 O ASP A 50 3.506 -2.350 11.939 1.00 0.00 O ATOM 790 CB ASP A 50 3.189 0.659 12.644 1.00 0.00 C ATOM 791 CG ASP A 50 4.171 1.831 12.832 1.00 0.00 C ATOM 792 OD1 ASP A 50 4.906 1.831 13.856 1.00 0.00 O ATOM 793 OD2 ASP A 50 4.198 2.772 11.998 1.00 0.00 O1- ATOM 0 H ASP A 50 1.703 1.301 10.711 1.00 0.00 H new ATOM 0 HA ASP A 50 4.276 0.051 10.903 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.175 1.019 12.819 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.394 -0.096 13.403 1.00 0.00 H new ATOM 798 N THR A 51 1.626 -1.728 10.814 1.00 0.00 N ATOM 799 CA THR A 51 0.643 -2.727 11.174 1.00 0.00 C ATOM 800 C THR A 51 0.037 -3.417 9.947 1.00 0.00 C ATOM 801 O THR A 51 -0.505 -4.511 10.065 1.00 0.00 O ATOM 802 CB THR A 51 -0.529 -2.008 11.867 1.00 0.00 C ATOM 803 OG1 THR A 51 -0.977 -0.935 11.065 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.175 -1.377 13.204 1.00 0.00 C ATOM 0 H THR A 51 1.292 -1.157 10.038 1.00 0.00 H new ATOM 0 HA THR A 51 1.142 -3.466 11.801 1.00 0.00 H new ATOM 0 HB THR A 51 -1.275 -2.788 12.019 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.724 -0.483 11.511 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.057 -0.892 13.623 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.175 -2.149 13.890 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.612 -0.637 13.060 1.00 0.00 H new ATOM 812 N ASN A 52 0.015 -2.739 8.801 1.00 0.00 N ATOM 813 CA ASN A 52 -0.936 -2.842 7.716 1.00 0.00 C ATOM 814 C ASN A 52 -0.718 -1.706 6.717 1.00 0.00 C ATOM 815 O ASN A 52 0.243 -0.949 6.766 1.00 0.00 O ATOM 816 CB ASN A 52 -2.416 -2.963 8.142 1.00 0.00 C ATOM 817 CG ASN A 52 -2.993 -1.846 8.996 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.323 -2.063 10.149 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.133 -0.638 8.482 1.00 0.00 N ATOM 0 H ASN A 52 0.732 -2.042 8.598 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.731 -3.797 7.233 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.021 -3.043 7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.534 -3.899 8.688 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.518 0.116 9.050 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.856 -0.459 7.517 1.00 0.00 H new ATOM 826 N LEU A 53 -1.654 -1.618 5.787 1.00 0.00 N ATOM 827 CA LEU A 53 -1.545 -1.025 4.484 1.00 0.00 C ATOM 828 C LEU A 53 -2.725 -0.101 4.264 1.00 0.00 C ATOM 829 O LEU A 53 -3.735 -0.186 4.968 1.00 0.00 O ATOM 830 CB LEU A 53 -1.586 -2.208 3.518 1.00 0.00 C ATOM 831 CG LEU A 53 -0.418 -3.168 3.766 1.00 0.00 C ATOM 832 CD1 LEU A 53 -0.564 -4.319 2.839 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.936 -2.529 3.523 1.00 0.00 C ATOM 0 H LEU A 53 -2.588 -1.996 5.949 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.640 -0.432 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.529 -2.742 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.549 -1.844 2.491 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.453 -3.470 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.257 -5.019 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.512 -4.823 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.545 -3.962 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.722 -3.259 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.999 -2.192 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.061 -1.676 4.191 1.00 0.00 H new ATOM 845 N TYR A 54 -2.615 0.746 3.251 1.00 0.00 N ATOM 846 CA TYR A 54 -3.654 1.689 2.886 1.00 0.00 C ATOM 847 C TYR A 54 -3.591 1.881 1.382 1.00 0.00 C ATOM 848 O TYR A 54 -2.503 1.934 0.806 1.00 0.00 O ATOM 849 CB TYR A 54 -3.558 3.051 3.614 1.00 0.00 C ATOM 850 CG TYR A 54 -3.213 3.028 5.099 1.00 0.00 C ATOM 851 CD1 TYR A 54 -2.035 2.431 5.599 1.00 0.00 C ATOM 852 CD2 TYR A 54 -4.128 3.582 6.005 1.00 0.00 C ATOM 853 CE1 TYR A 54 -1.876 2.202 6.977 1.00 0.00 C ATOM 854 CE2 TYR A 54 -3.893 3.519 7.387 1.00 0.00 C ATOM 855 CZ TYR A 54 -2.798 2.773 7.884 1.00 0.00 C ATOM 856 OH TYR A 54 -2.644 2.598 9.222 1.00 0.00 O ATOM 0 H TYR A 54 -1.790 0.796 2.654 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.611 1.273 3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.808 3.654 3.103 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.513 3.564 3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.248 2.147 4.916 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.022 4.062 5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.058 1.596 7.339 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.547 4.039 8.071 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.366 3.059 9.697 1.00 0.00 H new ATOM 866 N ALA A 55 -4.738 2.073 0.748 1.00 0.00 N ATOM 867 CA ALA A 55 -4.752 2.825 -0.492 1.00 0.00 C ATOM 868 C ALA A 55 -4.866 4.303 -0.176 1.00 0.00 C ATOM 869 O ALA A 55 -5.617 4.699 0.711 1.00 0.00 O ATOM 870 CB ALA A 55 -5.861 2.297 -1.412 1.00 0.00 C ATOM 0 H ALA A 55 -5.645 1.729 1.062 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.820 2.692 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.865 2.867 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.681 1.245 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.826 2.404 -0.917 1.00 0.00 H new ATOM 876 N ILE A 56 -4.103 5.117 -0.897 1.00 0.00 N ATOM 877 CA ILE A 56 -4.507 6.481 -1.167 1.00 0.00 C ATOM 878 C ILE A 56 -4.924 6.521 -2.640 1.00 0.00 C ATOM 879 O ILE A 56 -4.086 6.569 -3.534 1.00 0.00 O ATOM 880 CB ILE A 56 -3.417 7.464 -0.729 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.344 7.528 0.820 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.799 8.877 -1.198 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.307 6.616 1.472 1.00 0.00 C ATOM 0 H ILE A 56 -3.205 4.852 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.366 6.809 -0.582 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.468 7.133 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.132 8.556 1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.326 7.277 1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.028 9.583 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.888 8.888 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.752 9.163 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.342 6.741 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.525 5.578 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.313 6.877 1.108 1.00 0.00 H new ATOM 895 N THR A 57 -6.235 6.454 -2.870 1.00 0.00 N ATOM 896 CA THR A 57 -6.843 6.447 -4.210 1.00 0.00 C ATOM 897 C THR A 57 -7.487 7.797 -4.403 1.00 0.00 C ATOM 898 O THR A 57 -8.370 8.144 -3.632 1.00 0.00 O ATOM 899 CB THR A 57 -7.863 5.297 -4.332 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.187 4.066 -4.181 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.548 5.260 -5.702 1.00 0.00 C ATOM 0 H THR A 57 -6.922 6.402 -2.118 1.00 0.00 H new ATOM 0 HA THR A 57 -6.097 6.277 -4.987 1.00 0.00 H new ATOM 0 HB THR A 57 -8.617 5.460 -3.562 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.600 3.393 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.256 4.431 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.079 6.197 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.797 5.125 -6.481 1.00 0.00 H new ATOM 909 N GLY A 58 -6.975 8.640 -5.302 1.00 0.00 N ATOM 910 CA GLY A 58 -7.523 9.988 -5.516 1.00 0.00 C ATOM 911 C GLY A 58 -7.563 10.900 -4.272 1.00 0.00 C ATOM 912 O GLY A 58 -8.334 11.854 -4.231 1.00 0.00 O ATOM 0 H GLY A 58 -6.178 8.415 -5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.932 10.482 -6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.537 9.891 -5.905 1.00 0.00 H new ATOM 916 N ASP A 59 -6.824 10.529 -3.223 1.00 0.00 N ATOM 917 CA ASP A 59 -6.687 11.207 -1.900 1.00 0.00 C ATOM 918 C ASP A 59 -7.810 10.778 -0.940 1.00 0.00 C ATOM 919 O ASP A 59 -8.185 11.444 0.027 1.00 0.00 O ATOM 920 CB ASP A 59 -6.499 12.743 -2.035 1.00 0.00 C ATOM 921 CG ASP A 59 -5.241 13.241 -1.300 1.00 0.00 C ATOM 922 OD1 ASP A 59 -5.430 14.071 -0.355 1.00 0.00 O ATOM 923 OD2 ASP A 59 -4.149 12.773 -1.689 1.00 0.00 O1- ATOM 0 H ASP A 59 -6.256 9.683 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.760 10.868 -1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.430 13.008 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.377 13.251 -1.635 1.00 0.00 H new ATOM 928 N VAL A 60 -8.343 9.584 -1.209 1.00 0.00 N ATOM 929 CA VAL A 60 -9.101 8.731 -0.322 1.00 0.00 C ATOM 930 C VAL A 60 -8.115 7.760 0.305 1.00 0.00 C ATOM 931 O VAL A 60 -7.603 6.883 -0.380 1.00 0.00 O ATOM 932 CB VAL A 60 -10.190 7.931 -1.086 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.796 6.834 -0.213 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.295 8.840 -1.639 1.00 0.00 C ATOM 0 H VAL A 60 -8.241 9.164 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.610 9.340 0.426 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.690 7.462 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.554 6.295 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.013 6.141 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.253 7.282 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.034 8.236 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.777 9.368 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.860 9.563 -2.329 1.00 0.00 H new ATOM 944 N VAL A 61 -7.887 7.935 1.597 1.00 0.00 N ATOM 945 CA VAL A 61 -7.201 6.964 2.458 1.00 0.00 C ATOM 946 C VAL A 61 -8.143 5.801 2.795 1.00 0.00 C ATOM 947 O VAL A 61 -9.300 5.992 3.165 1.00 0.00 O ATOM 948 CB VAL A 61 -6.641 7.671 3.700 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.715 8.077 4.723 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.566 6.824 4.414 1.00 0.00 C ATOM 0 H VAL A 61 -8.179 8.776 2.096 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.350 6.531 1.932 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.192 8.584 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.241 8.570 5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.423 8.761 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.243 7.188 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.198 7.364 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.001 5.876 4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.739 6.634 3.730 1.00 0.00 H new ATOM 960 N LEU A 62 -7.642 4.576 2.649 1.00 0.00 N ATOM 961 CA LEU A 62 -8.397 3.341 2.817 1.00 0.00 C ATOM 962 C LEU A 62 -7.508 2.305 3.490 1.00 0.00 C ATOM 963 O LEU A 62 -6.874 1.480 2.841 1.00 0.00 O ATOM 964 CB LEU A 62 -8.957 2.895 1.455 1.00 0.00 C ATOM 965 CG LEU A 62 -9.644 1.501 1.380 1.00 0.00 C ATOM 966 CD1 LEU A 62 -10.109 0.857 2.704 1.00 0.00 C ATOM 967 CD2 LEU A 62 -10.871 1.651 0.483 1.00 0.00 C ATOM 0 H LEU A 62 -6.666 4.413 2.402 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.259 3.485 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.679 3.643 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.138 2.905 0.736 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.871 0.828 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.568 -0.109 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.251 0.717 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.836 1.508 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.383 0.692 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.548 2.390 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.559 1.979 -0.509 1.00 0.00 H new ATOM 979 N LYS A 63 -7.503 2.373 4.818 1.00 0.00 N ATOM 980 CA LYS A 63 -6.835 1.423 5.715 1.00 0.00 C ATOM 981 C LYS A 63 -7.334 -0.032 5.554 1.00 0.00 C ATOM 982 O LYS A 63 -8.512 -0.338 5.724 1.00 0.00 O ATOM 983 CB LYS A 63 -6.939 1.909 7.177 1.00 0.00 C ATOM 984 CG LYS A 63 -8.360 2.143 7.727 1.00 0.00 C ATOM 985 CD LYS A 63 -8.335 2.522 9.219 1.00 0.00 C ATOM 986 CE LYS A 63 -7.984 1.334 10.129 1.00 0.00 C ATOM 987 NZ LYS A 63 -9.089 0.349 10.184 1.00 0.00 N ATOM 0 H LYS A 63 -7.982 3.119 5.323 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.784 1.396 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.443 1.178 7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.381 2.841 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.845 2.936 7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.957 1.241 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.609 3.320 9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.310 2.918 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.080 0.848 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.767 1.696 11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.871 -0.378 10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.973 0.833 10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.200 -0.100 9.253 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.414 -0.952 5.290 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.684 -2.389 5.192 1.00 0.00 C ATOM 1003 C PHE A 64 -6.501 -3.044 6.560 1.00 0.00 C ATOM 1004 O PHE A 64 -5.469 -2.838 7.194 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.720 -2.996 4.191 1.00 0.00 C ATOM 1006 CG PHE A 64 -5.937 -2.565 2.755 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -4.965 -1.808 2.079 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.148 -2.861 2.103 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.179 -1.378 0.763 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.367 -2.427 0.785 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.376 -1.695 0.107 1.00 0.00 C ATOM 0 H PHE A 64 -5.434 -0.718 5.134 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.710 -2.554 4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.703 -2.735 4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.799 -4.082 4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.042 -1.555 2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.912 -3.424 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.421 -0.802 0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.300 -2.656 0.291 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.537 -1.379 -0.913 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.439 -3.881 7.029 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.312 -4.585 8.307 1.00 0.00 C ATOM 1023 C ALA A 65 -6.158 -5.618 8.383 1.00 0.00 C ATOM 1024 O ALA A 65 -5.980 -6.245 9.419 1.00 0.00 O ATOM 1025 CB ALA A 65 -8.626 -5.315 8.595 1.00 0.00 C ATOM 0 H ALA A 65 -8.305 -4.086 6.531 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.079 -3.817 9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.547 -5.845 9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.440 -4.592 8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.828 -6.029 7.797 1.00 0.00 H new ATOM 1031 N THR A 66 -5.461 -5.857 7.291 1.00 0.00 N ATOM 1032 CA THR A 66 -4.543 -6.977 7.113 1.00 0.00 C ATOM 1033 C THR A 66 -3.637 -6.589 6.020 1.00 0.00 C ATOM 1034 O THR A 66 -3.832 -5.600 5.298 1.00 0.00 O ATOM 1035 CB THR A 66 -5.207 -8.291 6.684 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.606 -8.220 6.803 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.824 -9.472 7.558 1.00 0.00 C ATOM 0 H THR A 66 -5.517 -5.257 6.468 1.00 0.00 H new ATOM 0 HA THR A 66 -4.066 -7.163 8.075 1.00 0.00 H new ATOM 0 HB THR A 66 -4.869 -8.432 5.658 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.002 -9.071 6.521 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.329 -10.369 7.199 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.745 -9.621 7.516 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.123 -9.275 8.587 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.662 -7.456 5.861 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.708 -7.272 4.837 1.00 0.00 C ATOM 1047 C VAL A 67 -2.182 -7.917 3.516 1.00 0.00 C ATOM 1048 O VAL A 67 -2.108 -7.296 2.461 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.379 -7.854 5.292 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.596 -6.881 4.714 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.084 -7.945 6.732 1.00 0.00 C ATOM 0 H VAL A 67 -2.525 -8.288 6.436 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.584 -6.207 4.643 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.470 -8.902 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.610 -7.186 4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.488 -6.858 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.402 -5.888 5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.072 -8.404 6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.133 -6.945 7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.619 -8.552 7.303 1.00 0.00 H new ATOM 1061 N SER A 68 -2.771 -9.110 3.593 1.00 0.00 N ATOM 1062 CA SER A 68 -3.347 -9.820 2.426 1.00 0.00 C ATOM 1063 C SER A 68 -4.432 -9.021 1.704 1.00 0.00 C ATOM 1064 O SER A 68 -4.633 -9.191 0.498 1.00 0.00 O ATOM 1065 CB SER A 68 -3.927 -11.174 2.871 1.00 0.00 C ATOM 1066 OG SER A 68 -4.864 -10.995 3.926 1.00 0.00 O ATOM 0 H SER A 68 -2.868 -9.624 4.469 1.00 0.00 H new ATOM 0 HA SER A 68 -2.530 -9.962 1.719 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.412 -11.663 2.026 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.121 -11.830 3.200 1.00 0.00 H new ATOM 0 HG SER A 68 -5.224 -11.866 4.195 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.087 -8.076 2.402 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.126 -7.249 1.824 1.00 0.00 C ATOM 1074 C LYS A 69 -5.683 -6.425 0.635 1.00 0.00 C ATOM 1075 O LYS A 69 -6.339 -6.424 -0.405 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.565 -6.238 2.875 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.005 -6.767 4.235 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.495 -6.574 4.426 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.143 -7.750 3.669 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.480 -7.460 3.090 1.00 0.00 N ATOM 0 H LYS A 69 -4.900 -7.875 3.384 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.905 -7.937 1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.740 -5.545 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.390 -5.660 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.756 -7.825 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.462 -6.250 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.764 -6.587 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.825 -5.615 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.474 -8.058 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.234 -8.596 4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.837 -8.306 2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.138 -7.196 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.402 -6.675 2.412 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.567 -5.723 0.822 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.007 -4.901 -0.241 1.00 0.00 C ATOM 1096 C ALA A 70 -3.690 -5.738 -1.500 1.00 0.00 C ATOM 1097 O ALA A 70 -3.912 -5.298 -2.616 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.778 -4.215 0.343 1.00 0.00 C ATOM 0 H ALA A 70 -4.038 -5.709 1.694 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.722 -4.152 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.318 -3.583 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.074 -3.602 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.062 -4.969 0.670 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.287 -6.993 -1.320 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.995 -7.955 -2.378 1.00 0.00 C ATOM 1106 C ARG A 71 -4.240 -8.258 -3.207 1.00 0.00 C ATOM 1107 O ARG A 71 -4.181 -8.288 -4.424 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.452 -9.261 -1.793 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.514 -9.904 -2.825 1.00 0.00 C ATOM 1110 CD ARG A 71 -0.376 -10.666 -2.152 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.780 -12.001 -1.671 1.00 0.00 N ATOM 1112 CZ ARG A 71 -0.056 -13.110 -1.829 1.00 0.00 C ATOM 1113 NH1 ARG A 71 1.211 -13.106 -2.206 1.00 0.00 N ATOM 1114 NH2 ARG A 71 -0.617 -14.268 -1.558 1.00 0.00 N ATOM 0 H ARG A 71 -3.149 -7.385 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.239 -7.506 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.916 -9.066 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.272 -9.938 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.082 -10.584 -3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.102 -9.131 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.448 -10.774 -2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.002 -10.081 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.673 -12.081 -1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.685 -12.222 -2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.715 -13.987 -2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.584 -14.303 -1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.085 -15.131 -1.671 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.384 -8.446 -2.553 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.690 -8.612 -3.194 1.00 0.00 C ATOM 1130 C ALA A 72 -7.284 -7.294 -3.738 1.00 0.00 C ATOM 1131 O ALA A 72 -8.188 -7.314 -4.575 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.609 -9.278 -2.159 1.00 0.00 C ATOM 0 H ALA A 72 -5.431 -8.489 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.584 -9.235 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.599 -9.423 -2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.193 -10.244 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.688 -8.640 -1.279 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.770 -6.139 -3.305 1.00 0.00 N ATOM 1139 CA TYR A 73 -7.170 -4.817 -3.808 1.00 0.00 C ATOM 1140 C TYR A 73 -6.395 -4.492 -5.093 1.00 0.00 C ATOM 1141 O TYR A 73 -6.917 -3.898 -6.023 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.929 -3.755 -2.732 1.00 0.00 C ATOM 1143 CG TYR A 73 -7.045 -2.347 -3.277 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -8.224 -1.591 -3.180 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -5.970 -1.851 -4.015 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -8.311 -0.333 -3.821 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -6.065 -0.672 -4.745 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.232 0.121 -4.626 1.00 0.00 C ATOM 1149 OH TYR A 73 -7.365 1.273 -5.340 1.00 0.00 O ATOM 0 H TYR A 73 -6.052 -6.093 -2.582 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.234 -4.824 -4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.648 -3.890 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.937 -3.895 -2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.064 -1.970 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.039 -2.398 -4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.193 0.279 -3.699 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.259 -0.365 -5.395 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.536 1.057 -6.281 1.00 0.00 H new ATOM 1159 N LEU A 74 -5.138 -4.906 -5.164 1.00 0.00 N ATOM 1160 CA LEU A 74 -4.217 -4.659 -6.259 1.00 0.00 C ATOM 1161 C LEU A 74 -4.669 -5.148 -7.625 1.00 0.00 C ATOM 1162 O LEU A 74 -4.381 -4.528 -8.648 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.953 -5.375 -5.803 1.00 0.00 C ATOM 1164 CG LEU A 74 -2.017 -4.594 -4.874 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.806 -4.241 -5.670 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -2.466 -3.217 -4.423 1.00 0.00 C ATOM 0 H LEU A 74 -4.712 -5.454 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.104 -3.589 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.247 -6.294 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.388 -5.666 -6.689 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.919 -5.247 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.110 -3.682 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.324 -5.153 -6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.098 -3.630 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.708 -2.782 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.607 -2.577 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.407 -3.301 -3.879 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.378 -6.264 -7.627 1.00 0.00 N ATOM 1179 CA GLU A 75 -6.001 -6.837 -8.815 1.00 0.00 C ATOM 1180 C GLU A 75 -7.325 -6.130 -9.136 1.00 0.00 C ATOM 1181 O GLU A 75 -7.866 -6.291 -10.232 1.00 0.00 O ATOM 1182 CB GLU A 75 -6.013 -8.383 -8.732 1.00 0.00 C ATOM 1183 CG GLU A 75 -6.019 -9.029 -7.336 1.00 0.00 C ATOM 1184 CD GLU A 75 -5.718 -10.530 -7.404 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -6.680 -11.360 -7.551 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -4.552 -10.911 -7.251 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.542 -6.813 -6.783 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.402 -6.641 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.892 -8.740 -9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.139 -8.753 -9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.279 -8.538 -6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.991 -8.874 -6.867 1.00 0.00 H new ATOM 1193 N THR A 76 -7.786 -5.248 -8.239 1.00 0.00 N ATOM 1194 CA THR A 76 -9.151 -4.725 -8.157 1.00 0.00 C ATOM 1195 C THR A 76 -9.167 -3.190 -8.000 1.00 0.00 C ATOM 1196 O THR A 76 -9.548 -2.673 -6.951 1.00 0.00 O ATOM 1197 CB THR A 76 -9.903 -5.402 -6.999 1.00 0.00 C ATOM 1198 OG1 THR A 76 -9.627 -6.791 -6.908 1.00 0.00 O ATOM 1199 CG2 THR A 76 -11.401 -5.243 -7.255 1.00 0.00 C ATOM 0 H THR A 76 -7.182 -4.861 -7.514 1.00 0.00 H new ATOM 0 HA THR A 76 -9.659 -4.956 -9.093 1.00 0.00 H new ATOM 0 HB THR A 76 -9.581 -4.931 -6.070 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.120 -6.971 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.960 -5.715 -6.447 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.652 -4.183 -7.299 1.00 0.00 H new ATOM 0 HG23 THR A 76 -11.661 -5.717 -8.201 1.00 0.00 H new ATOM 1207 N LYS A 77 -8.797 -2.499 -9.088 1.00 0.00 N ATOM 1208 CA LYS A 77 -8.966 -1.057 -9.370 1.00 0.00 C ATOM 1209 C LYS A 77 -7.875 -0.184 -8.770 1.00 0.00 C ATOM 1210 O LYS A 77 -8.187 0.659 -7.856 1.00 0.00 O ATOM 1211 CB LYS A 77 -10.422 -0.599 -9.140 1.00 0.00 C ATOM 1212 CG LYS A 77 -11.248 -0.588 -10.434 1.00 0.00 C ATOM 1213 CD LYS A 77 -11.560 -1.996 -10.982 1.00 0.00 C ATOM 1214 CE LYS A 77 -11.990 -1.936 -12.448 1.00 0.00 C ATOM 1215 NZ LYS A 77 -13.247 -1.180 -12.656 1.00 0.00 N ATOM 1216 OXT LYS A 77 -6.787 -0.209 -9.308 1.00 0.00 O1- ATOM 0 H LYS A 77 -8.331 -2.971 -9.863 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.804 -0.906 -10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.897 -1.260 -8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.420 0.401 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.185 -0.063 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.709 -0.023 -11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.679 -2.631 -10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.350 -2.454 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.195 -1.476 -13.035 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.117 -2.951 -12.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.486 -1.175 -13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.016 -1.632 -12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.123 -0.202 -12.325 1.00 0.00 H new TER 1230 LYS A 77