USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 538 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 74 THR OG1 : rot 99:sc= 2.02 USER MOD Set 1.2: A 77 THR OG1 : rot 145:sc= 1.71! USER MOD Set 2.1: A 19 HIS : no HE2:sc= -0.973 K(o=-0.97,f=-3.4!) USER MOD Set 2.2: A 65 HIS : no HD1:sc= 0 X(o=-0.97,f=-1.1) USER MOD Set 3.1: A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Set 3.2: A 79 HIS : no HE2:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 49 HIS : no HE2:sc= 0.807 K(o=0.81,f=-5.2!) USER MOD Set 4.2: A 62 HIS : no HD1:sc= 0 X(o=0.81,f=0.79) USER MOD Set 5.1: A 9 HIS : no HE2:sc= 0.374 K(o=0.37,f=-1.3) USER MOD Set 5.2: A 39 HIS : no HD1:sc= 0 X(o=0.37,f=0.35) USER MOD Set 6.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 38 CYS SG : rot 180:sc= 0.0573 USER MOD Set 7.1: A 17 ASN : amide:sc= 0.0307 X(o=-1.4,f=-1.5) USER MOD Set 7.2: A 18 CYS SG : rot 180:sc= -1.45! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 12 MET CE :methyl -120:sc= -3.74! (180deg=-9.48!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -160:sc= 0.0755 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 165:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.813 K(o=-0.81,f=-1.5!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0145 USER MOD Single : A 36 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.028) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.364 K(o=-0.36,f=-3.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -113:sc= -0.136 (180deg=-1.06) USER MOD Single : A 58 CYS SG : rot -170:sc= 0.0471 USER MOD Single : A 61 CYS SG : rot 156:sc= -4.72! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot -150:sc= -0.26 USER MOD Single : A 78 CYS SG : rot 41:sc= 0.607 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N GLU A 3 12.846 -8.341 3.700 1.00 0.00 N ATOM 25 CA GLU A 3 13.037 -7.105 2.961 1.00 0.00 C ATOM 26 C GLU A 3 11.715 -6.341 2.853 1.00 0.00 C ATOM 27 O GLU A 3 10.724 -6.876 2.359 1.00 0.00 O ATOM 28 CB GLU A 3 13.626 -7.380 1.576 1.00 0.00 C ATOM 29 CG GLU A 3 12.776 -8.396 0.810 1.00 0.00 C ATOM 30 CD GLU A 3 13.504 -9.736 0.685 1.00 0.00 C ATOM 31 OE1 GLU A 3 14.359 -10.058 1.523 1.00 0.00 O ATOM 32 OE2 GLU A 3 13.154 -10.454 -0.328 1.00 0.00 O ATOM 0 HA GLU A 3 13.749 -6.485 3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.685 -6.450 1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.644 -7.756 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.825 -8.541 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.546 -8.009 -0.183 1.00 0.00 H new ATOM 40 N THR A 4 11.744 -5.104 3.325 1.00 0.00 N ATOM 41 CA THR A 4 10.561 -4.261 3.288 1.00 0.00 C ATOM 42 C THR A 4 10.038 -4.138 1.856 1.00 0.00 C ATOM 43 O THR A 4 10.756 -4.434 0.902 1.00 0.00 O ATOM 44 CB THR A 4 10.918 -2.915 3.922 1.00 0.00 C ATOM 45 OG1 THR A 4 12.211 -2.619 3.400 1.00 0.00 O ATOM 46 CG2 THR A 4 11.141 -3.020 5.432 1.00 0.00 C ATOM 0 H THR A 4 12.568 -4.665 3.735 1.00 0.00 H new ATOM 0 HA THR A 4 9.745 -4.700 3.862 1.00 0.00 H new ATOM 0 HB THR A 4 10.123 -2.197 3.722 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.520 -1.761 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.392 -2.037 5.832 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.232 -3.385 5.910 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.959 -3.712 5.632 1.00 0.00 H new ATOM 54 N LEU A 5 8.791 -3.702 1.750 1.00 0.00 N ATOM 55 CA LEU A 5 8.164 -3.537 0.450 1.00 0.00 C ATOM 56 C LEU A 5 8.858 -2.402 -0.306 1.00 0.00 C ATOM 57 O LEU A 5 9.137 -2.525 -1.498 1.00 0.00 O ATOM 58 CB LEU A 5 6.655 -3.339 0.605 1.00 0.00 C ATOM 59 CG LEU A 5 5.788 -3.869 -0.539 1.00 0.00 C ATOM 60 CD1 LEU A 5 5.109 -5.183 -0.147 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.777 -2.815 -0.995 1.00 0.00 C ATOM 0 H LEU A 5 8.198 -3.458 2.543 1.00 0.00 H new ATOM 0 HA LEU A 5 8.285 -4.440 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.338 -3.823 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.458 -2.273 0.720 1.00 0.00 H new ATOM 0 HG LEU A 5 6.436 -4.082 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.499 -5.539 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.868 -5.928 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.476 -5.019 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.174 -3.218 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.129 -2.548 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.307 -1.928 -1.341 1.00 0.00 H new ATOM 73 N ALA A 6 9.119 -1.324 0.418 1.00 0.00 N ATOM 74 CA ALA A 6 9.776 -0.169 -0.169 1.00 0.00 C ATOM 75 C ALA A 6 11.094 -0.608 -0.809 1.00 0.00 C ATOM 76 O ALA A 6 11.473 -0.105 -1.866 1.00 0.00 O ATOM 77 CB ALA A 6 9.977 0.904 0.902 1.00 0.00 C ATOM 0 H ALA A 6 8.887 -1.226 1.406 1.00 0.00 H new ATOM 0 HA ALA A 6 9.157 0.266 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.470 1.770 0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.009 1.203 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.596 0.505 1.706 1.00 0.00 H new ATOM 83 N GLU A 7 11.757 -1.541 -0.142 1.00 0.00 N ATOM 84 CA GLU A 7 13.025 -2.054 -0.633 1.00 0.00 C ATOM 85 C GLU A 7 12.812 -2.851 -1.922 1.00 0.00 C ATOM 86 O GLU A 7 13.380 -2.519 -2.961 1.00 0.00 O ATOM 87 CB GLU A 7 13.720 -2.907 0.431 1.00 0.00 C ATOM 88 CG GLU A 7 15.080 -3.401 -0.066 1.00 0.00 C ATOM 89 CD GLU A 7 16.172 -2.364 0.204 1.00 0.00 C ATOM 90 OE1 GLU A 7 16.008 -1.505 1.083 1.00 0.00 O ATOM 91 OE2 GLU A 7 17.222 -2.472 -0.537 1.00 0.00 O ATOM 0 H GLU A 7 11.440 -1.955 0.735 1.00 0.00 H new ATOM 0 HA GLU A 7 13.675 -1.208 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.852 -2.323 1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.091 -3.759 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.333 -4.339 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.027 -3.609 -1.135 1.00 0.00 H new ATOM 99 N PHE A 8 11.994 -3.887 -1.811 1.00 0.00 N ATOM 100 CA PHE A 8 11.700 -4.734 -2.954 1.00 0.00 C ATOM 101 C PHE A 8 11.438 -3.894 -4.206 1.00 0.00 C ATOM 102 O PHE A 8 11.806 -4.289 -5.311 1.00 0.00 O ATOM 103 CB PHE A 8 10.435 -5.524 -2.612 1.00 0.00 C ATOM 104 CG PHE A 8 9.905 -6.380 -3.764 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.570 -7.506 -4.136 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.769 -6.013 -4.416 1.00 0.00 C ATOM 107 CE1 PHE A 8 10.078 -8.300 -5.206 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.277 -6.807 -5.486 1.00 0.00 C ATOM 109 CZ PHE A 8 8.942 -7.934 -5.858 1.00 0.00 C ATOM 0 H PHE A 8 11.525 -4.159 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 8 12.547 -5.389 -3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.642 -6.170 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.656 -4.827 -2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.472 -7.797 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.241 -5.118 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.606 -9.194 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.375 -6.516 -6.004 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.568 -8.538 -6.671 1.00 0.00 H new ATOM 119 N HIS A 9 10.806 -2.750 -3.990 1.00 0.00 N ATOM 120 CA HIS A 9 10.491 -1.850 -5.087 1.00 0.00 C ATOM 121 C HIS A 9 11.756 -1.105 -5.519 1.00 0.00 C ATOM 122 O HIS A 9 11.970 -0.876 -6.708 1.00 0.00 O ATOM 123 CB HIS A 9 9.348 -0.907 -4.706 1.00 0.00 C ATOM 124 CG HIS A 9 7.973 -1.502 -4.892 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.355 -2.279 -3.928 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.103 -1.426 -5.940 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.168 -2.648 -4.385 1.00 0.00 C ATOM 128 NE2 HIS A 9 6.014 -2.119 -5.633 1.00 0.00 N ATOM 0 H HIS A 9 10.503 -2.425 -3.072 1.00 0.00 H new ATOM 0 HA HIS A 9 10.139 -2.425 -5.944 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.467 -0.611 -3.664 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.424 0.000 -5.305 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.747 -2.526 -3.019 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.272 -0.892 -6.863 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.448 -3.260 -3.862 1.00 0.00 H new ATOM 136 N VAL A 10 12.560 -0.747 -4.529 1.00 0.00 N ATOM 137 CA VAL A 10 13.798 -0.033 -4.791 1.00 0.00 C ATOM 138 C VAL A 10 14.655 -0.845 -5.764 1.00 0.00 C ATOM 139 O VAL A 10 15.064 -0.339 -6.808 1.00 0.00 O ATOM 140 CB VAL A 10 14.515 0.273 -3.474 1.00 0.00 C ATOM 141 CG1 VAL A 10 16.017 0.458 -3.698 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.907 1.499 -2.790 1.00 0.00 C ATOM 0 H VAL A 10 12.378 -0.938 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 10 13.592 0.927 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 10 14.378 -0.582 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.503 0.674 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.437 -0.455 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.183 1.286 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.435 1.694 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.998 2.364 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.854 1.313 -2.579 1.00 0.00 H new ATOM 152 N GLU A 11 14.901 -2.091 -5.387 1.00 0.00 N ATOM 153 CA GLU A 11 15.701 -2.979 -6.213 1.00 0.00 C ATOM 154 C GLU A 11 15.142 -3.027 -7.636 1.00 0.00 C ATOM 155 O GLU A 11 15.844 -3.414 -8.570 1.00 0.00 O ATOM 156 CB GLU A 11 15.771 -4.380 -5.604 1.00 0.00 C ATOM 157 CG GLU A 11 16.850 -5.223 -6.288 1.00 0.00 C ATOM 158 CD GLU A 11 18.232 -4.925 -5.702 1.00 0.00 C ATOM 159 OE1 GLU A 11 18.789 -3.844 -5.946 1.00 0.00 O ATOM 160 OE2 GLU A 11 18.727 -5.864 -4.969 1.00 0.00 O ATOM 0 H GLU A 11 14.560 -2.507 -4.520 1.00 0.00 H new ATOM 0 HA GLU A 11 16.717 -2.586 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.984 -4.306 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.803 -4.872 -5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.620 -6.282 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.853 -5.018 -7.358 1.00 0.00 H new ATOM 168 N MET A 12 13.884 -2.629 -7.758 1.00 0.00 N ATOM 169 CA MET A 12 13.223 -2.622 -9.052 1.00 0.00 C ATOM 170 C MET A 12 13.122 -1.201 -9.608 1.00 0.00 C ATOM 171 O MET A 12 12.322 -0.937 -10.505 1.00 0.00 O ATOM 172 CB MET A 12 11.820 -3.217 -8.911 1.00 0.00 C ATOM 173 CG MET A 12 11.736 -4.588 -9.586 1.00 0.00 C ATOM 174 SD MET A 12 11.177 -5.812 -8.414 1.00 0.00 S ATOM 175 CE MET A 12 9.817 -4.930 -7.668 1.00 0.00 C ATOM 0 H MET A 12 13.305 -2.309 -6.982 1.00 0.00 H new ATOM 0 HA MET A 12 13.814 -3.221 -9.745 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.565 -3.311 -7.855 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.089 -2.543 -9.357 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.051 -4.544 -10.433 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.713 -4.869 -9.980 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.998 -4.819 -6.599 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.728 -3.945 -8.125 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.893 -5.487 -7.823 1.00 0.00 H new ATOM 185 N GLY A 13 13.943 -0.322 -9.053 1.00 0.00 N ATOM 186 CA GLY A 13 13.956 1.066 -9.482 1.00 0.00 C ATOM 187 C GLY A 13 14.875 1.906 -8.593 1.00 0.00 C ATOM 188 O GLY A 13 16.002 2.216 -8.976 1.00 0.00 O ATOM 0 H GLY A 13 14.605 -0.544 -8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.291 1.127 -10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.944 1.470 -9.450 1.00 0.00 H new ATOM 192 N GLY A 14 14.359 2.252 -7.423 1.00 0.00 N ATOM 193 CA GLY A 14 15.119 3.050 -6.476 1.00 0.00 C ATOM 194 C GLY A 14 14.196 3.709 -5.449 1.00 0.00 C ATOM 195 O GLY A 14 13.028 3.341 -5.333 1.00 0.00 O ATOM 0 H GLY A 14 13.423 1.994 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.846 2.419 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.681 3.816 -7.010 1.00 0.00 H new ATOM 199 N CYS A 15 14.755 4.671 -4.730 1.00 0.00 N ATOM 200 CA CYS A 15 13.997 5.384 -3.716 1.00 0.00 C ATOM 201 C CYS A 15 13.069 6.377 -4.420 1.00 0.00 C ATOM 202 O CYS A 15 12.100 6.852 -3.830 1.00 0.00 O ATOM 203 CB CYS A 15 14.914 6.077 -2.706 1.00 0.00 C ATOM 204 SG CYS A 15 15.915 4.944 -1.675 1.00 0.00 S ATOM 0 H CYS A 15 15.724 4.973 -4.829 1.00 0.00 H new ATOM 0 HA CYS A 15 13.401 4.676 -3.140 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.586 6.745 -3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.305 6.699 -2.051 1.00 0.00 H new ATOM 0 HG CYS A 15 16.653 5.637 -0.860 1.00 0.00 H new ATOM 209 N GLU A 16 13.400 6.661 -5.671 1.00 0.00 N ATOM 210 CA GLU A 16 12.609 7.589 -6.461 1.00 0.00 C ATOM 211 C GLU A 16 11.415 6.867 -7.089 1.00 0.00 C ATOM 212 O GLU A 16 10.749 7.411 -7.970 1.00 0.00 O ATOM 213 CB GLU A 16 13.466 8.266 -7.533 1.00 0.00 C ATOM 214 CG GLU A 16 14.387 9.319 -6.914 1.00 0.00 C ATOM 215 CD GLU A 16 14.238 10.664 -7.628 1.00 0.00 C ATOM 216 OE1 GLU A 16 13.133 11.224 -7.673 1.00 0.00 O ATOM 217 OE2 GLU A 16 15.324 11.128 -8.148 1.00 0.00 O ATOM 0 H GLU A 16 14.205 6.265 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 16 12.231 8.368 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.062 7.517 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.821 8.734 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.152 9.437 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.422 8.983 -6.975 1.00 0.00 H new ATOM 225 N ASN A 17 11.179 5.654 -6.612 1.00 0.00 N ATOM 226 CA ASN A 17 10.077 4.852 -7.115 1.00 0.00 C ATOM 227 C ASN A 17 8.755 5.444 -6.622 1.00 0.00 C ATOM 228 O ASN A 17 7.722 5.292 -7.272 1.00 0.00 O ATOM 229 CB ASN A 17 10.168 3.411 -6.609 1.00 0.00 C ATOM 230 CG ASN A 17 9.565 2.436 -7.622 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.261 1.723 -8.327 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.236 2.443 -7.655 1.00 0.00 N ATOM 0 H ASN A 17 11.733 5.207 -5.882 1.00 0.00 H new ATOM 0 HA ASN A 17 10.127 4.855 -8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.211 3.151 -6.425 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.645 3.322 -5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.739 1.827 -8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.714 3.065 -7.038 1.00 0.00 H new ATOM 239 N CYS A 18 8.830 6.106 -5.477 1.00 0.00 N ATOM 240 CA CYS A 18 7.652 6.721 -4.889 1.00 0.00 C ATOM 241 C CYS A 18 8.079 8.023 -4.208 1.00 0.00 C ATOM 242 O CYS A 18 7.394 8.511 -3.310 1.00 0.00 O ATOM 243 CB CYS A 18 6.945 5.774 -3.917 1.00 0.00 C ATOM 244 SG CYS A 18 7.181 4.039 -4.450 1.00 0.00 S ATOM 0 H CYS A 18 9.689 6.230 -4.940 1.00 0.00 H new ATOM 0 HA CYS A 18 6.926 6.942 -5.671 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.341 5.911 -2.911 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.881 6.009 -3.876 1.00 0.00 H new ATOM 0 HG CYS A 18 6.578 3.243 -3.617 1.00 0.00 H new ATOM 249 N HIS A 19 9.209 8.547 -4.660 1.00 0.00 N ATOM 250 CA HIS A 19 9.735 9.783 -4.106 1.00 0.00 C ATOM 251 C HIS A 19 10.320 10.641 -5.229 1.00 0.00 C ATOM 252 O HIS A 19 11.057 10.141 -6.078 1.00 0.00 O ATOM 253 CB HIS A 19 10.745 9.492 -2.994 1.00 0.00 C ATOM 254 CG HIS A 19 10.154 8.791 -1.794 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.923 9.130 -1.260 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.636 7.768 -1.033 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.686 8.340 -0.223 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.749 7.497 -0.083 1.00 0.00 N ATOM 0 H HIS A 19 9.775 8.138 -5.404 1.00 0.00 H new ATOM 0 HA HIS A 19 8.928 10.352 -3.645 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.550 8.879 -3.400 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.193 10.431 -2.669 1.00 0.00 H new ATOM 0 HD1 HIS A 19 8.304 9.863 -1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.580 7.263 -1.178 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.805 8.360 0.402 1.00 0.00 H new ATOM 266 N ALA A 20 9.969 11.918 -5.198 1.00 0.00 N ATOM 267 CA ALA A 20 10.450 12.851 -6.203 1.00 0.00 C ATOM 268 C ALA A 20 11.710 13.548 -5.685 1.00 0.00 C ATOM 269 O ALA A 20 11.683 14.183 -4.632 1.00 0.00 O ATOM 270 CB ALA A 20 9.338 13.842 -6.554 1.00 0.00 C ATOM 0 H ALA A 20 9.357 12.329 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 20 10.718 12.324 -7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.699 14.542 -7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.477 13.299 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.045 14.392 -5.660 1.00 0.00 H new ATOM 276 N ASP A 21 12.783 13.405 -6.448 1.00 0.00 N ATOM 277 CA ASP A 21 14.050 14.012 -6.080 1.00 0.00 C ATOM 278 C ASP A 21 14.285 13.822 -4.580 1.00 0.00 C ATOM 279 O ASP A 21 14.853 14.692 -3.922 1.00 0.00 O ATOM 280 CB ASP A 21 14.046 15.514 -6.371 1.00 0.00 C ATOM 281 CG ASP A 21 15.326 16.051 -7.015 1.00 0.00 C ATOM 282 OD1 ASP A 21 15.800 15.524 -8.032 1.00 0.00 O ATOM 283 OD2 ASP A 21 15.850 17.070 -6.420 1.00 0.00 O ATOM 0 H ASP A 21 12.801 12.877 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 21 14.836 13.533 -6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.205 15.740 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.875 16.049 -5.437 1.00 0.00 H new ATOM 289 N GLY A 22 13.834 12.680 -4.083 1.00 0.00 N ATOM 290 CA GLY A 22 13.988 12.365 -2.673 1.00 0.00 C ATOM 291 C GLY A 22 13.294 13.411 -1.798 1.00 0.00 C ATOM 292 O GLY A 22 13.924 14.020 -0.935 1.00 0.00 O ATOM 0 H GLY A 22 13.362 11.961 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.569 11.380 -2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.047 12.320 -2.421 1.00 0.00 H new ATOM 296 N GLU A 23 12.005 13.587 -2.052 1.00 0.00 N ATOM 297 CA GLU A 23 11.219 14.550 -1.299 1.00 0.00 C ATOM 298 C GLU A 23 9.817 13.998 -1.034 1.00 0.00 C ATOM 299 O GLU A 23 8.839 14.362 -1.682 1.00 0.00 O ATOM 300 CB GLU A 23 11.151 15.893 -2.028 1.00 0.00 C ATOM 301 CG GLU A 23 10.902 17.038 -1.045 1.00 0.00 C ATOM 302 CD GLU A 23 11.144 18.395 -1.711 1.00 0.00 C ATOM 303 OE1 GLU A 23 10.764 18.590 -2.875 1.00 0.00 O ATOM 304 OE2 GLU A 23 11.749 19.263 -0.974 1.00 0.00 O ATOM 0 H GLU A 23 11.486 13.079 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 23 11.709 14.720 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.083 16.067 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.354 15.867 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.878 16.988 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.559 16.930 -0.182 1.00 0.00 H new ATOM 312 N PRO A 24 9.742 13.097 -0.051 1.00 0.00 N ATOM 313 CA PRO A 24 8.518 12.449 0.369 1.00 0.00 C ATOM 314 C PRO A 24 7.396 13.474 0.443 1.00 0.00 C ATOM 315 O PRO A 24 7.548 14.471 1.147 1.00 0.00 O ATOM 316 CB PRO A 24 8.831 11.879 1.751 1.00 0.00 C ATOM 317 CG PRO A 24 10.292 11.625 1.708 1.00 0.00 C ATOM 318 CD PRO A 24 10.872 12.646 0.732 1.00 0.00 C ATOM 0 HA PRO A 24 8.192 11.671 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.571 12.582 2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.271 10.963 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.736 11.736 2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.501 10.608 1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.342 13.475 1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.637 12.197 0.099 1.00 0.00 H new ATOM 326 N SER A 25 6.310 13.219 -0.272 1.00 0.00 N ATOM 327 CA SER A 25 5.182 14.135 -0.273 1.00 0.00 C ATOM 328 C SER A 25 4.798 14.493 1.164 1.00 0.00 C ATOM 329 O SER A 25 5.056 13.724 2.089 1.00 0.00 O ATOM 330 CB SER A 25 3.984 13.532 -1.008 1.00 0.00 C ATOM 331 OG SER A 25 3.117 12.824 -0.126 1.00 0.00 O ATOM 0 H SER A 25 6.187 12.391 -0.855 1.00 0.00 H new ATOM 0 HA SER A 25 5.478 15.042 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.426 14.326 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.339 12.857 -1.787 1.00 0.00 H new ATOM 0 HG SER A 25 2.562 12.203 -0.642 1.00 0.00 H new ATOM 337 N LYS A 26 4.188 15.660 1.306 1.00 0.00 N ATOM 338 CA LYS A 26 3.766 16.130 2.615 1.00 0.00 C ATOM 339 C LYS A 26 2.248 15.984 2.739 1.00 0.00 C ATOM 340 O LYS A 26 1.602 16.758 3.443 1.00 0.00 O ATOM 341 CB LYS A 26 4.269 17.553 2.861 1.00 0.00 C ATOM 342 CG LYS A 26 5.604 17.793 2.154 1.00 0.00 C ATOM 343 CD LYS A 26 6.296 19.045 2.698 1.00 0.00 C ATOM 344 CE LYS A 26 6.093 20.235 1.758 1.00 0.00 C ATOM 345 NZ LYS A 26 6.826 21.420 2.257 1.00 0.00 N ATOM 0 H LYS A 26 3.976 16.295 0.536 1.00 0.00 H new ATOM 0 HA LYS A 26 4.211 15.519 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.530 18.270 2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.385 17.721 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.252 16.927 2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.438 17.902 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.900 19.284 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.362 18.852 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.441 19.979 0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.031 20.465 1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.678 22.219 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.475 21.673 3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.841 21.202 2.312 1.00 0.00 H new ATOM 358 N ASP A 27 1.722 14.986 2.043 1.00 0.00 N ATOM 359 CA ASP A 27 0.292 14.729 2.066 1.00 0.00 C ATOM 360 C ASP A 27 0.050 13.219 2.053 1.00 0.00 C ATOM 361 O ASP A 27 -0.508 12.667 3.000 1.00 0.00 O ATOM 362 CB ASP A 27 -0.396 15.330 0.839 1.00 0.00 C ATOM 363 CG ASP A 27 0.398 15.220 -0.465 1.00 0.00 C ATOM 364 OD1 ASP A 27 1.566 15.631 -0.538 1.00 0.00 O ATOM 365 OD2 ASP A 27 -0.240 14.681 -1.447 1.00 0.00 O ATOM 0 H ASP A 27 2.261 14.346 1.460 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.118 15.184 2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.359 14.838 0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.601 16.383 1.035 1.00 0.00 H new ATOM 371 N GLY A 28 0.481 12.592 0.968 1.00 0.00 N ATOM 372 CA GLY A 28 0.317 11.156 0.818 1.00 0.00 C ATOM 373 C GLY A 28 -0.334 10.816 -0.524 1.00 0.00 C ATOM 374 O GLY A 28 0.068 9.862 -1.189 1.00 0.00 O ATOM 0 H GLY A 28 0.944 13.052 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.288 10.666 0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.296 10.769 1.632 1.00 0.00 H new ATOM 378 N ALA A 29 -1.329 11.614 -0.882 1.00 0.00 N ATOM 379 CA ALA A 29 -2.040 11.409 -2.132 1.00 0.00 C ATOM 380 C ALA A 29 -1.032 11.326 -3.280 1.00 0.00 C ATOM 381 O ALA A 29 -1.066 10.426 -4.115 1.00 0.00 O ATOM 382 CB ALA A 29 -3.059 12.533 -2.331 1.00 0.00 C ATOM 0 H ALA A 29 -1.660 12.404 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.592 10.469 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.592 12.379 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.770 12.530 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.542 13.492 -2.361 1.00 0.00 H new ATOM 388 N TYR A 30 -0.120 12.301 -3.301 1.00 0.00 N ATOM 389 CA TYR A 30 0.903 12.366 -4.325 1.00 0.00 C ATOM 390 C TYR A 30 1.551 11.000 -4.495 1.00 0.00 C ATOM 391 O TYR A 30 1.736 10.567 -5.632 1.00 0.00 O ATOM 392 CB TYR A 30 1.943 13.413 -3.936 1.00 0.00 C ATOM 393 CG TYR A 30 2.980 13.660 -5.006 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.581 13.861 -6.333 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.339 13.688 -4.671 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.542 14.090 -7.325 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.299 13.916 -5.664 1.00 0.00 C ATOM 398 CZ TYR A 30 4.901 14.117 -6.991 1.00 0.00 C ATOM 399 OH TYR A 30 5.837 14.339 -7.957 1.00 0.00 O ATOM 0 H TYR A 30 -0.077 13.054 -2.615 1.00 0.00 H new ATOM 0 HA TYR A 30 0.454 12.653 -5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.436 14.351 -3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.444 13.093 -3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.533 13.839 -6.591 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.647 13.534 -3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.235 14.246 -8.349 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.348 13.937 -5.406 1.00 0.00 H new ATOM 0 HH TYR A 30 6.693 14.565 -7.537 1.00 0.00 H new ATOM 409 N GLU A 31 1.877 10.355 -3.385 1.00 0.00 N ATOM 410 CA GLU A 31 2.500 9.043 -3.437 1.00 0.00 C ATOM 411 C GLU A 31 1.505 8.003 -3.955 1.00 0.00 C ATOM 412 O GLU A 31 1.819 7.237 -4.865 1.00 0.00 O ATOM 413 CB GLU A 31 3.048 8.642 -2.066 1.00 0.00 C ATOM 414 CG GLU A 31 3.999 9.710 -1.522 1.00 0.00 C ATOM 415 CD GLU A 31 5.459 9.294 -1.716 1.00 0.00 C ATOM 416 OE1 GLU A 31 5.799 8.117 -1.523 1.00 0.00 O ATOM 417 OE2 GLU A 31 6.252 10.243 -2.081 1.00 0.00 O ATOM 0 H GLU A 31 1.722 10.716 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 31 3.341 9.089 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.223 8.496 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.572 7.689 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.816 10.657 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.801 9.873 -0.463 1.00 0.00 H new ATOM 425 N PHE A 32 0.324 8.009 -3.354 1.00 0.00 N ATOM 426 CA PHE A 32 -0.719 7.076 -3.743 1.00 0.00 C ATOM 427 C PHE A 32 -0.858 7.013 -5.266 1.00 0.00 C ATOM 428 O PHE A 32 -1.304 6.004 -5.811 1.00 0.00 O ATOM 429 CB PHE A 32 -2.028 7.593 -3.144 1.00 0.00 C ATOM 430 CG PHE A 32 -3.279 6.900 -3.691 1.00 0.00 C ATOM 431 CD1 PHE A 32 -3.298 5.549 -3.839 1.00 0.00 C ATOM 432 CD2 PHE A 32 -4.371 7.637 -4.028 1.00 0.00 C ATOM 433 CE1 PHE A 32 -4.458 4.906 -4.346 1.00 0.00 C ATOM 434 CE2 PHE A 32 -5.531 6.994 -4.536 1.00 0.00 C ATOM 435 CZ PHE A 32 -5.550 5.642 -4.683 1.00 0.00 C ATOM 0 H PHE A 32 0.067 8.646 -2.600 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.476 6.075 -3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.997 7.463 -2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.105 8.663 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.430 4.964 -3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.356 8.710 -3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.473 3.833 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.398 7.579 -4.806 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.433 5.153 -5.068 1.00 0.00 H new ATOM 445 N GLU A 33 -0.468 8.104 -5.909 1.00 0.00 N ATOM 446 CA GLU A 33 -0.544 8.185 -7.358 1.00 0.00 C ATOM 447 C GLU A 33 0.505 7.272 -7.996 1.00 0.00 C ATOM 448 O GLU A 33 0.221 6.585 -8.976 1.00 0.00 O ATOM 449 CB GLU A 33 -0.377 9.629 -7.835 1.00 0.00 C ATOM 450 CG GLU A 33 -1.693 10.178 -8.391 1.00 0.00 C ATOM 451 CD GLU A 33 -1.912 11.627 -7.952 1.00 0.00 C ATOM 452 OE1 GLU A 33 -2.039 11.897 -6.748 1.00 0.00 O ATOM 453 OE2 GLU A 33 -1.948 12.488 -8.911 1.00 0.00 O ATOM 0 H GLU A 33 -0.099 8.939 -5.454 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.531 7.845 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.039 10.253 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.394 9.675 -8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.684 10.122 -9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.523 9.561 -8.047 1.00 0.00 H new ATOM 461 N GLN A 34 1.695 7.295 -7.415 1.00 0.00 N ATOM 462 CA GLN A 34 2.788 6.478 -7.915 1.00 0.00 C ATOM 463 C GLN A 34 2.347 5.017 -8.033 1.00 0.00 C ATOM 464 O GLN A 34 2.782 4.305 -8.937 1.00 0.00 O ATOM 465 CB GLN A 34 4.023 6.607 -7.021 1.00 0.00 C ATOM 466 CG GLN A 34 4.597 8.024 -7.082 1.00 0.00 C ATOM 467 CD GLN A 34 4.665 8.527 -8.525 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.019 7.807 -9.445 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.306 9.799 -8.672 1.00 0.00 N ATOM 0 H GLN A 34 1.927 7.867 -6.603 1.00 0.00 H new ATOM 0 HA GLN A 34 3.060 6.837 -8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.759 6.361 -5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.781 5.890 -7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.978 8.696 -6.488 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.594 8.035 -6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.020 10.345 -7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.316 10.228 -9.597 1.00 0.00 H new ATOM 478 N CYS A 35 1.490 4.614 -7.107 1.00 0.00 N ATOM 479 CA CYS A 35 0.986 3.251 -7.096 1.00 0.00 C ATOM 480 C CYS A 35 -0.233 3.183 -8.017 1.00 0.00 C ATOM 481 O CYS A 35 -1.280 2.665 -7.630 1.00 0.00 O ATOM 482 CB CYS A 35 0.657 2.781 -5.677 1.00 0.00 C ATOM 483 SG CYS A 35 1.651 3.568 -4.358 1.00 0.00 S ATOM 0 H CYS A 35 1.132 5.207 -6.359 1.00 0.00 H new ATOM 0 HA CYS A 35 1.756 2.572 -7.463 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.398 2.973 -5.481 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.799 1.702 -5.625 1.00 0.00 H new ATOM 0 HG CYS A 35 1.287 3.098 -3.202 1.00 0.00 H new ATOM 488 N GLN A 36 -0.057 3.712 -9.219 1.00 0.00 N ATOM 489 CA GLN A 36 -1.130 3.717 -10.199 1.00 0.00 C ATOM 490 C GLN A 36 -0.555 3.679 -11.616 1.00 0.00 C ATOM 491 O GLN A 36 -0.737 4.618 -12.389 1.00 0.00 O ATOM 492 CB GLN A 36 -2.040 4.932 -10.009 1.00 0.00 C ATOM 493 CG GLN A 36 -3.504 4.506 -9.878 1.00 0.00 C ATOM 494 CD GLN A 36 -4.364 5.655 -9.349 1.00 0.00 C ATOM 495 OE1 GLN A 36 -5.335 6.070 -9.959 1.00 0.00 O ATOM 496 NE2 GLN A 36 -3.955 6.145 -8.182 1.00 0.00 N ATOM 0 H GLN A 36 0.813 4.140 -9.537 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.736 2.823 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.737 5.482 -9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.929 5.610 -10.855 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.880 4.182 -10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.579 3.651 -9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.133 5.752 -7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.463 6.914 -7.746 1.00 0.00 H new ATOM 505 N SER A 37 0.128 2.583 -11.914 1.00 0.00 N ATOM 506 CA SER A 37 0.731 2.411 -13.225 1.00 0.00 C ATOM 507 C SER A 37 1.102 0.942 -13.441 1.00 0.00 C ATOM 508 O SER A 37 0.444 0.238 -14.205 1.00 0.00 O ATOM 509 CB SER A 37 1.966 3.299 -13.384 1.00 0.00 C ATOM 510 OG SER A 37 2.556 3.623 -12.128 1.00 0.00 O ATOM 0 H SER A 37 0.277 1.806 -11.270 1.00 0.00 H new ATOM 0 HA SER A 37 0.003 2.710 -13.979 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.700 2.790 -14.009 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.688 4.217 -13.902 1.00 0.00 H new ATOM 0 HG SER A 37 3.342 4.190 -12.272 1.00 0.00 H new ATOM 516 N CYS A 38 2.155 0.524 -12.753 1.00 0.00 N ATOM 517 CA CYS A 38 2.621 -0.848 -12.861 1.00 0.00 C ATOM 518 C CYS A 38 1.575 -1.762 -12.219 1.00 0.00 C ATOM 519 O CYS A 38 1.648 -2.983 -12.351 1.00 0.00 O ATOM 520 CB CYS A 38 4.002 -1.027 -12.227 1.00 0.00 C ATOM 521 SG CYS A 38 5.064 0.408 -12.625 1.00 0.00 S ATOM 0 H CYS A 38 2.698 1.111 -12.119 1.00 0.00 H new ATOM 0 HA CYS A 38 2.739 -1.114 -13.911 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.905 -1.129 -11.146 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.463 -1.944 -12.593 1.00 0.00 H new ATOM 0 HG CYS A 38 6.233 0.247 -12.080 1.00 0.00 H new ATOM 526 N HIS A 39 0.627 -1.137 -11.538 1.00 0.00 N ATOM 527 CA HIS A 39 -0.432 -1.879 -10.875 1.00 0.00 C ATOM 528 C HIS A 39 -1.783 -1.500 -11.485 1.00 0.00 C ATOM 529 O HIS A 39 -2.250 -2.149 -12.419 1.00 0.00 O ATOM 530 CB HIS A 39 -0.383 -1.661 -9.361 1.00 0.00 C ATOM 531 CG HIS A 39 0.844 -2.239 -8.697 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.140 -3.591 -8.717 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.845 -1.636 -7.996 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.272 -3.781 -8.054 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.707 -2.568 -7.607 1.00 0.00 N ATOM 0 H HIS A 39 0.570 -0.124 -11.431 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.287 -2.947 -11.034 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.424 -0.591 -9.157 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.271 -2.106 -8.911 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.924 -0.578 -7.791 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.763 -4.730 -7.896 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.555 -2.404 -7.064 1.00 0.00 H new ATOM 543 N GLY A 40 -2.373 -0.451 -10.931 1.00 0.00 N ATOM 544 CA GLY A 40 -3.661 0.022 -11.409 1.00 0.00 C ATOM 545 C GLY A 40 -4.416 0.766 -10.305 1.00 0.00 C ATOM 546 O GLY A 40 -3.804 1.428 -9.467 1.00 0.00 O ATOM 0 H GLY A 40 -1.983 0.085 -10.156 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.515 0.683 -12.264 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.256 -0.822 -11.756 1.00 0.00 H new ATOM 550 N SER A 41 -5.733 0.633 -10.340 1.00 0.00 N ATOM 551 CA SER A 41 -6.578 1.285 -9.353 1.00 0.00 C ATOM 552 C SER A 41 -7.336 0.235 -8.538 1.00 0.00 C ATOM 553 O SER A 41 -7.678 -0.828 -9.054 1.00 0.00 O ATOM 554 CB SER A 41 -7.560 2.250 -10.020 1.00 0.00 C ATOM 555 OG SER A 41 -6.948 2.993 -11.070 1.00 0.00 O ATOM 0 H SER A 41 -6.237 0.083 -11.036 1.00 0.00 H new ATOM 0 HA SER A 41 -5.940 1.863 -8.685 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.406 1.689 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.957 2.937 -9.273 1.00 0.00 H new ATOM 0 HG SER A 41 -7.608 3.596 -11.472 1.00 0.00 H new ATOM 561 N LEU A 42 -7.576 0.570 -7.279 1.00 0.00 N ATOM 562 CA LEU A 42 -8.287 -0.331 -6.388 1.00 0.00 C ATOM 563 C LEU A 42 -9.636 -0.697 -7.009 1.00 0.00 C ATOM 564 O LEU A 42 -10.118 -1.816 -6.842 1.00 0.00 O ATOM 565 CB LEU A 42 -8.400 0.278 -4.989 1.00 0.00 C ATOM 566 CG LEU A 42 -7.089 0.746 -4.353 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.288 2.054 -3.585 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.484 -0.349 -3.473 1.00 0.00 C ATOM 0 H LEU A 42 -7.291 1.453 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.731 -1.260 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.081 1.128 -5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.858 -0.459 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.375 0.947 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.341 2.364 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.640 2.827 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.025 1.904 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.553 0.010 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.185 -0.606 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.282 -1.232 -4.079 1.00 0.00 H new ATOM 580 N ALA A 43 -10.208 0.269 -7.714 1.00 0.00 N ATOM 581 CA ALA A 43 -11.492 0.062 -8.362 1.00 0.00 C ATOM 582 C ALA A 43 -11.323 -0.929 -9.516 1.00 0.00 C ATOM 583 O ALA A 43 -12.305 -1.357 -10.120 1.00 0.00 O ATOM 584 CB ALA A 43 -12.052 1.408 -8.826 1.00 0.00 C ATOM 0 H ALA A 43 -9.806 1.196 -7.850 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.210 -0.367 -7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.015 1.253 -9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.181 2.064 -7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.359 1.867 -9.531 1.00 0.00 H new ATOM 590 N GLU A 44 -10.070 -1.264 -9.787 1.00 0.00 N ATOM 591 CA GLU A 44 -9.760 -2.196 -10.858 1.00 0.00 C ATOM 592 C GLU A 44 -9.077 -3.444 -10.294 1.00 0.00 C ATOM 593 O GLU A 44 -8.369 -4.146 -11.013 1.00 0.00 O ATOM 594 CB GLU A 44 -8.891 -1.532 -11.928 1.00 0.00 C ATOM 595 CG GLU A 44 -9.316 -1.974 -13.330 1.00 0.00 C ATOM 596 CD GLU A 44 -8.103 -2.393 -14.163 1.00 0.00 C ATOM 597 OE1 GLU A 44 -8.040 -3.539 -14.632 1.00 0.00 O ATOM 598 OE2 GLU A 44 -7.205 -1.480 -14.318 1.00 0.00 O ATOM 0 H GLU A 44 -9.258 -0.907 -9.284 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.694 -2.499 -11.332 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.970 -0.448 -11.845 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.845 -1.789 -11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.016 -2.806 -13.256 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.841 -1.159 -13.829 1.00 0.00 H new ATOM 606 N MET A 45 -9.314 -3.681 -9.012 1.00 0.00 N ATOM 607 CA MET A 45 -8.731 -4.831 -8.344 1.00 0.00 C ATOM 608 C MET A 45 -9.818 -5.793 -7.860 1.00 0.00 C ATOM 609 O MET A 45 -10.993 -5.618 -8.177 1.00 0.00 O ATOM 610 CB MET A 45 -7.898 -4.360 -7.150 1.00 0.00 C ATOM 611 CG MET A 45 -6.729 -3.486 -7.608 1.00 0.00 C ATOM 612 SD MET A 45 -5.423 -3.526 -6.392 1.00 0.00 S ATOM 613 CE MET A 45 -4.470 -2.109 -6.914 1.00 0.00 C ATOM 0 H MET A 45 -9.902 -3.096 -8.419 1.00 0.00 H new ATOM 0 HA MET A 45 -8.096 -5.358 -9.056 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.529 -3.798 -6.461 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.519 -5.223 -6.603 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.354 -3.840 -8.568 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.067 -2.461 -7.757 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.609 -1.987 -6.257 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.127 -2.258 -7.938 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.092 -1.215 -6.867 1.00 0.00 H new ATOM 623 N ASP A 46 -9.386 -6.789 -7.100 1.00 0.00 N ATOM 624 CA ASP A 46 -10.307 -7.780 -6.569 1.00 0.00 C ATOM 625 C ASP A 46 -11.491 -7.068 -5.911 1.00 0.00 C ATOM 626 O ASP A 46 -11.532 -5.839 -5.863 1.00 0.00 O ATOM 627 CB ASP A 46 -9.630 -8.650 -5.509 1.00 0.00 C ATOM 628 CG ASP A 46 -8.235 -8.186 -5.087 1.00 0.00 C ATOM 629 OD1 ASP A 46 -7.391 -7.848 -5.930 1.00 0.00 O ATOM 630 OD2 ASP A 46 -8.024 -8.180 -3.814 1.00 0.00 O ATOM 0 H ASP A 46 -8.410 -6.931 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.637 -8.410 -7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.268 -8.683 -4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.558 -9.669 -5.889 1.00 0.00 H new ATOM 636 N ASP A 47 -12.425 -7.870 -5.421 1.00 0.00 N ATOM 637 CA ASP A 47 -13.606 -7.332 -4.768 1.00 0.00 C ATOM 638 C ASP A 47 -13.268 -6.987 -3.316 1.00 0.00 C ATOM 639 O ASP A 47 -14.151 -6.626 -2.539 1.00 0.00 O ATOM 640 CB ASP A 47 -14.744 -8.354 -4.759 1.00 0.00 C ATOM 641 CG ASP A 47 -15.764 -8.196 -5.888 1.00 0.00 C ATOM 642 OD1 ASP A 47 -16.332 -7.113 -6.089 1.00 0.00 O ATOM 643 OD2 ASP A 47 -15.972 -9.260 -6.588 1.00 0.00 O ATOM 0 H ASP A 47 -12.388 -8.888 -5.463 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.922 -6.446 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.314 -9.354 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.267 -8.285 -3.805 1.00 0.00 H new ATOM 649 N ASN A 48 -11.989 -7.111 -2.994 1.00 0.00 N ATOM 650 CA ASN A 48 -11.524 -6.817 -1.650 1.00 0.00 C ATOM 651 C ASN A 48 -10.868 -5.435 -1.632 1.00 0.00 C ATOM 652 O ASN A 48 -10.964 -4.711 -0.642 1.00 0.00 O ATOM 653 CB ASN A 48 -10.483 -7.840 -1.191 1.00 0.00 C ATOM 654 CG ASN A 48 -10.983 -9.269 -1.413 1.00 0.00 C ATOM 655 OD1 ASN A 48 -12.125 -9.506 -1.772 1.00 0.00 O ATOM 656 ND2 ASN A 48 -10.068 -10.205 -1.179 1.00 0.00 N ATOM 0 H ASN A 48 -11.260 -7.411 -3.641 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.384 -6.852 -0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.552 -7.688 -1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.261 -7.689 -0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.304 -11.190 -1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.130 -9.938 -0.881 1.00 0.00 H new ATOM 663 N HIS A 49 -10.217 -5.110 -2.739 1.00 0.00 N ATOM 664 CA HIS A 49 -9.545 -3.828 -2.863 1.00 0.00 C ATOM 665 C HIS A 49 -10.558 -2.755 -3.269 1.00 0.00 C ATOM 666 O HIS A 49 -10.407 -1.587 -2.915 1.00 0.00 O ATOM 667 CB HIS A 49 -8.365 -3.924 -3.831 1.00 0.00 C ATOM 668 CG HIS A 49 -7.124 -4.538 -3.227 1.00 0.00 C ATOM 669 ND1 HIS A 49 -6.948 -5.905 -3.105 1.00 0.00 N ATOM 670 CD2 HIS A 49 -6.002 -3.958 -2.714 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.769 -6.126 -2.542 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.185 -4.918 -2.300 1.00 0.00 N ATOM 0 H HIS A 49 -10.141 -5.713 -3.558 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.127 -3.538 -1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.665 -4.514 -4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.124 -2.925 -4.194 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.613 -6.621 -3.399 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.811 -2.897 -2.655 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.345 -7.093 -2.315 1.00 0.00 H new ATOM 680 N LYS A 50 -11.570 -3.191 -4.006 1.00 0.00 N ATOM 681 CA LYS A 50 -12.608 -2.283 -4.464 1.00 0.00 C ATOM 682 C LYS A 50 -13.233 -1.580 -3.257 1.00 0.00 C ATOM 683 O LYS A 50 -13.076 -0.379 -3.049 1.00 0.00 O ATOM 684 CB LYS A 50 -13.622 -3.025 -5.337 1.00 0.00 C ATOM 685 CG LYS A 50 -13.147 -3.096 -6.790 1.00 0.00 C ATOM 686 CD LYS A 50 -14.321 -3.344 -7.739 1.00 0.00 C ATOM 687 CE LYS A 50 -14.783 -4.800 -7.670 1.00 0.00 C ATOM 688 NZ LYS A 50 -15.961 -5.012 -8.542 1.00 0.00 N ATOM 0 H LYS A 50 -11.693 -4.161 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.182 -1.507 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.772 -4.033 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.586 -2.519 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.648 -2.165 -7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.413 -3.894 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.148 -2.683 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.026 -3.100 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.972 -5.460 -7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.033 -5.060 -6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.262 -6.006 -8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.739 -4.396 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.711 -4.783 -9.525 1.00 0.00 H new ATOM 701 N PRO A 51 -13.955 -2.367 -2.457 1.00 0.00 N ATOM 702 CA PRO A 51 -14.632 -1.914 -1.262 1.00 0.00 C ATOM 703 C PRO A 51 -13.873 -0.741 -0.658 1.00 0.00 C ATOM 704 O PRO A 51 -14.508 0.223 -0.233 1.00 0.00 O ATOM 705 CB PRO A 51 -14.616 -3.118 -0.322 1.00 0.00 C ATOM 706 CG PRO A 51 -14.607 -4.327 -1.319 1.00 0.00 C ATOM 707 CD PRO A 51 -14.160 -3.783 -2.673 1.00 0.00 C ATOM 0 HA PRO A 51 -15.648 -1.570 -1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.737 -3.117 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.490 -3.136 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.929 -5.107 -0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.598 -4.775 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.244 -4.268 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.915 -3.960 -3.439 1.00 0.00 H new ATOM 715 N HIS A 52 -12.552 -0.840 -0.630 1.00 0.00 N ATOM 716 CA HIS A 52 -11.733 0.223 -0.074 1.00 0.00 C ATOM 717 C HIS A 52 -11.550 1.329 -1.115 1.00 0.00 C ATOM 718 O HIS A 52 -11.785 2.502 -0.828 1.00 0.00 O ATOM 719 CB HIS A 52 -10.403 -0.329 0.444 1.00 0.00 C ATOM 720 CG HIS A 52 -10.545 -1.286 1.603 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.127 -2.604 1.543 1.00 0.00 N ATOM 722 CD2 HIS A 52 -11.062 -1.102 2.852 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.386 -3.178 2.709 1.00 0.00 C ATOM 724 NE2 HIS A 52 -10.967 -2.247 3.518 1.00 0.00 N ATOM 0 H HIS A 52 -12.029 -1.641 -0.984 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.238 0.662 0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.890 -0.837 -0.372 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.770 0.504 0.749 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.478 -0.181 3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.174 -4.204 2.972 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -11.278 -2.404 4.477 1.00 0.00 H new ATOM 732 N ASP A 53 -11.134 0.916 -2.303 1.00 0.00 N ATOM 733 CA ASP A 53 -10.917 1.856 -3.389 1.00 0.00 C ATOM 734 C ASP A 53 -11.638 3.168 -3.073 1.00 0.00 C ATOM 735 O ASP A 53 -12.855 3.264 -3.225 1.00 0.00 O ATOM 736 CB ASP A 53 -11.476 1.315 -4.707 1.00 0.00 C ATOM 737 CG ASP A 53 -11.383 2.277 -5.892 1.00 0.00 C ATOM 738 OD1 ASP A 53 -12.384 2.883 -6.303 1.00 0.00 O ATOM 739 OD2 ASP A 53 -10.207 2.396 -6.407 1.00 0.00 O ATOM 0 H ASP A 53 -10.941 -0.058 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.843 2.012 -3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.944 0.398 -4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.522 1.046 -4.558 1.00 0.00 H new ATOM 745 N GLY A 54 -10.856 4.146 -2.639 1.00 0.00 N ATOM 746 CA GLY A 54 -11.405 5.448 -2.300 1.00 0.00 C ATOM 747 C GLY A 54 -11.726 5.536 -0.807 1.00 0.00 C ATOM 748 O GLY A 54 -12.848 5.868 -0.428 1.00 0.00 O ATOM 0 H GLY A 54 -9.847 4.063 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.693 6.228 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.309 5.628 -2.881 1.00 0.00 H new ATOM 752 N LEU A 55 -10.720 5.234 0.001 1.00 0.00 N ATOM 753 CA LEU A 55 -10.881 5.275 1.444 1.00 0.00 C ATOM 754 C LEU A 55 -9.505 5.390 2.103 1.00 0.00 C ATOM 755 O LEU A 55 -9.219 6.373 2.784 1.00 0.00 O ATOM 756 CB LEU A 55 -11.696 4.073 1.927 1.00 0.00 C ATOM 757 CG LEU A 55 -13.187 4.324 2.161 1.00 0.00 C ATOM 758 CD1 LEU A 55 -13.908 3.029 2.538 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.401 5.424 3.203 1.00 0.00 C ATOM 0 H LEU A 55 -9.790 4.960 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.451 6.156 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.593 3.272 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.258 3.713 2.858 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.625 4.676 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.966 3.235 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.798 2.303 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.474 2.624 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.469 5.583 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.945 5.125 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.942 6.349 2.855 1.00 0.00 H new ATOM 771 N LEU A 56 -8.690 4.370 1.878 1.00 0.00 N ATOM 772 CA LEU A 56 -7.351 4.344 2.441 1.00 0.00 C ATOM 773 C LEU A 56 -6.338 4.078 1.326 1.00 0.00 C ATOM 774 O LEU A 56 -6.660 3.430 0.332 1.00 0.00 O ATOM 775 CB LEU A 56 -7.274 3.341 3.594 1.00 0.00 C ATOM 776 CG LEU A 56 -7.062 1.878 3.197 1.00 0.00 C ATOM 777 CD1 LEU A 56 -5.989 1.223 4.069 1.00 0.00 C ATOM 778 CD2 LEU A 56 -8.382 1.104 3.234 1.00 0.00 C ATOM 0 H LEU A 56 -8.931 3.555 1.313 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.101 5.313 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.460 3.639 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.196 3.410 4.172 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.701 1.851 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.858 0.184 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.047 1.757 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.297 1.260 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.204 0.067 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.795 1.136 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.089 1.556 2.538 1.00 0.00 H new ATOM 790 N MET A 57 -5.134 4.593 1.529 1.00 0.00 N ATOM 791 CA MET A 57 -4.071 4.419 0.553 1.00 0.00 C ATOM 792 C MET A 57 -3.465 3.017 0.646 1.00 0.00 C ATOM 793 O MET A 57 -3.731 2.284 1.597 1.00 0.00 O ATOM 794 CB MET A 57 -2.981 5.465 0.794 1.00 0.00 C ATOM 795 CG MET A 57 -3.198 6.697 -0.087 1.00 0.00 C ATOM 796 SD MET A 57 -4.574 7.653 0.530 1.00 0.00 S ATOM 797 CE MET A 57 -3.845 8.321 2.016 1.00 0.00 C ATOM 0 H MET A 57 -4.871 5.131 2.355 1.00 0.00 H new ATOM 0 HA MET A 57 -4.494 4.545 -0.444 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.981 5.760 1.843 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.003 5.031 0.584 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.296 7.309 -0.100 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.390 6.390 -1.115 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.343 7.897 2.888 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.785 8.070 2.046 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.961 9.405 2.023 1.00 0.00 H new ATOM 807 N CYS A 58 -2.661 2.688 -0.354 1.00 0.00 N ATOM 808 CA CYS A 58 -2.014 1.387 -0.397 1.00 0.00 C ATOM 809 C CYS A 58 -1.148 1.240 0.855 1.00 0.00 C ATOM 810 O CYS A 58 -1.449 0.430 1.731 1.00 0.00 O ATOM 811 CB CYS A 58 -1.200 1.202 -1.679 1.00 0.00 C ATOM 812 SG CYS A 58 -2.035 1.767 -3.206 1.00 0.00 S ATOM 0 H CYS A 58 -2.443 3.299 -1.141 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.770 0.602 -0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.258 1.741 -1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.953 0.146 -1.786 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.355 1.376 -4.243 1.00 0.00 H new ATOM 817 N ALA A 59 -0.089 2.035 0.901 1.00 0.00 N ATOM 818 CA ALA A 59 0.823 2.004 2.031 1.00 0.00 C ATOM 819 C ALA A 59 0.021 1.846 3.324 1.00 0.00 C ATOM 820 O ALA A 59 0.283 0.941 4.115 1.00 0.00 O ATOM 821 CB ALA A 59 1.683 3.270 2.030 1.00 0.00 C ATOM 0 H ALA A 59 0.158 2.705 0.173 1.00 0.00 H new ATOM 0 HA ALA A 59 1.498 1.152 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.367 3.246 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.255 3.320 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.040 4.147 2.107 1.00 0.00 H new ATOM 827 N ASP A 60 -0.941 2.740 3.499 1.00 0.00 N ATOM 828 CA ASP A 60 -1.784 2.711 4.683 1.00 0.00 C ATOM 829 C ASP A 60 -2.046 1.257 5.081 1.00 0.00 C ATOM 830 O ASP A 60 -2.186 0.950 6.264 1.00 0.00 O ATOM 831 CB ASP A 60 -3.134 3.378 4.414 1.00 0.00 C ATOM 832 CG ASP A 60 -3.059 4.855 4.023 1.00 0.00 C ATOM 833 OD1 ASP A 60 -1.978 5.463 4.028 1.00 0.00 O ATOM 834 OD2 ASP A 60 -4.187 5.392 3.701 1.00 0.00 O ATOM 0 H ASP A 60 -1.156 3.489 2.841 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.268 3.249 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.640 2.832 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.753 3.285 5.307 1.00 0.00 H new ATOM 840 N CYS A 61 -2.104 0.401 4.072 1.00 0.00 N ATOM 841 CA CYS A 61 -2.346 -1.013 4.302 1.00 0.00 C ATOM 842 C CYS A 61 -1.036 -1.768 4.075 1.00 0.00 C ATOM 843 O CYS A 61 -0.592 -2.522 4.940 1.00 0.00 O ATOM 844 CB CYS A 61 -3.473 -1.545 3.415 1.00 0.00 C ATOM 845 SG CYS A 61 -5.001 -1.754 4.401 1.00 0.00 S ATOM 0 H CYS A 61 -1.987 0.660 3.092 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.678 -1.165 5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.654 -0.856 2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.181 -2.499 2.975 1.00 0.00 H new ATOM 0 HG CYS A 61 -6.035 -1.702 3.615 1.00 0.00 H new ATOM 850 N HIS A 62 -0.453 -1.540 2.907 1.00 0.00 N ATOM 851 CA HIS A 62 0.798 -2.190 2.555 1.00 0.00 C ATOM 852 C HIS A 62 1.972 -1.354 3.067 1.00 0.00 C ATOM 853 O HIS A 62 2.841 -0.956 2.292 1.00 0.00 O ATOM 854 CB HIS A 62 0.869 -2.453 1.050 1.00 0.00 C ATOM 855 CG HIS A 62 -0.190 -3.402 0.541 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.305 -4.706 0.989 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.179 -3.222 -0.380 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.321 -5.277 0.359 1.00 0.00 C ATOM 859 NE2 HIS A 62 -1.861 -4.355 -0.490 1.00 0.00 N ATOM 0 H HIS A 62 -0.824 -0.914 2.192 1.00 0.00 H new ATOM 0 HA HIS A 62 0.854 -3.166 3.038 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.777 -1.504 0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.852 -2.858 0.808 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.374 -2.312 -0.927 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.662 -6.293 0.494 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.658 -4.511 -1.107 1.00 0.00 H new ATOM 867 N ALA A 63 1.962 -1.112 4.370 1.00 0.00 N ATOM 868 CA ALA A 63 3.015 -0.331 4.995 1.00 0.00 C ATOM 869 C ALA A 63 4.364 -0.724 4.389 1.00 0.00 C ATOM 870 O ALA A 63 4.979 -1.721 4.759 1.00 0.00 O ATOM 871 CB ALA A 63 2.974 -0.537 6.510 1.00 0.00 C ATOM 0 H ALA A 63 1.240 -1.444 5.010 1.00 0.00 H new ATOM 0 HA ALA A 63 2.867 0.732 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.764 0.049 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.006 -0.215 6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.122 -1.593 6.738 1.00 0.00 H new ATOM 877 N PRO A 64 4.815 0.095 3.436 1.00 0.00 N ATOM 878 CA PRO A 64 6.065 -0.085 2.730 1.00 0.00 C ATOM 879 C PRO A 64 7.225 0.040 3.707 1.00 0.00 C ATOM 880 O PRO A 64 8.020 -0.893 3.808 1.00 0.00 O ATOM 881 CB PRO A 64 6.097 1.038 1.696 1.00 0.00 C ATOM 882 CG PRO A 64 4.614 1.498 1.550 1.00 0.00 C ATOM 883 CD PRO A 64 4.117 1.276 2.976 1.00 0.00 C ATOM 0 HA PRO A 64 6.149 -1.065 2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.734 1.859 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.496 0.687 0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.531 2.539 1.239 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.064 0.902 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.337 2.136 3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.037 1.130 2.999 1.00 0.00 H new ATOM 891 N HIS A 65 7.302 1.169 4.396 1.00 0.00 N ATOM 892 CA HIS A 65 8.372 1.390 5.354 1.00 0.00 C ATOM 893 C HIS A 65 8.023 0.711 6.680 1.00 0.00 C ATOM 894 O HIS A 65 7.954 1.367 7.718 1.00 0.00 O ATOM 895 CB HIS A 65 8.661 2.884 5.511 1.00 0.00 C ATOM 896 CG HIS A 65 9.341 3.507 4.315 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.522 3.019 3.786 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.992 4.582 3.552 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.861 3.774 2.751 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.911 4.743 2.608 1.00 0.00 N ATOM 0 H HIS A 65 6.641 1.941 4.310 1.00 0.00 H new ATOM 0 HA HIS A 65 9.293 0.938 4.986 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.723 3.408 5.696 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.288 3.032 6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.116 5.198 3.692 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.735 3.645 2.130 1.00 0.00 H new ATOM 0 HE2 HIS A 65 9.908 5.471 1.894 1.00 0.00 H new ATOM 908 N GLU A 66 7.810 -0.595 6.601 1.00 0.00 N ATOM 909 CA GLU A 66 7.469 -1.370 7.782 1.00 0.00 C ATOM 910 C GLU A 66 7.170 -2.820 7.397 1.00 0.00 C ATOM 911 O GLU A 66 7.857 -3.738 7.842 1.00 0.00 O ATOM 912 CB GLU A 66 6.287 -0.745 8.526 1.00 0.00 C ATOM 913 CG GLU A 66 6.594 -0.597 10.017 1.00 0.00 C ATOM 914 CD GLU A 66 5.677 0.443 10.665 1.00 0.00 C ATOM 915 OE1 GLU A 66 4.496 0.542 10.299 1.00 0.00 O ATOM 916 OE2 GLU A 66 6.230 1.163 11.581 1.00 0.00 O ATOM 0 H GLU A 66 7.867 -1.135 5.738 1.00 0.00 H new ATOM 0 HA GLU A 66 8.325 -1.363 8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.060 0.232 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.400 -1.365 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.468 -1.558 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.635 -0.303 10.150 1.00 0.00 H new ATOM 924 N ALA A 67 6.144 -2.980 6.575 1.00 0.00 N ATOM 925 CA ALA A 67 5.745 -4.303 6.125 1.00 0.00 C ATOM 926 C ALA A 67 6.886 -4.929 5.320 1.00 0.00 C ATOM 927 O ALA A 67 7.806 -4.231 4.894 1.00 0.00 O ATOM 928 CB ALA A 67 4.451 -4.199 5.316 1.00 0.00 C ATOM 0 H ALA A 67 5.577 -2.216 6.209 1.00 0.00 H new ATOM 0 HA ALA A 67 5.546 -4.954 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.152 -5.191 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.664 -3.776 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.613 -3.555 4.451 1.00 0.00 H new ATOM 934 N LYS A 68 6.791 -6.238 5.136 1.00 0.00 N ATOM 935 CA LYS A 68 7.803 -6.965 4.390 1.00 0.00 C ATOM 936 C LYS A 68 7.130 -7.770 3.277 1.00 0.00 C ATOM 937 O LYS A 68 6.125 -8.439 3.510 1.00 0.00 O ATOM 938 CB LYS A 68 8.657 -7.815 5.334 1.00 0.00 C ATOM 939 CG LYS A 68 9.146 -6.988 6.525 1.00 0.00 C ATOM 940 CD LYS A 68 9.028 -7.781 7.828 1.00 0.00 C ATOM 941 CE LYS A 68 10.387 -7.906 8.519 1.00 0.00 C ATOM 942 NZ LYS A 68 11.042 -9.181 8.148 1.00 0.00 N ATOM 0 H LYS A 68 6.028 -6.814 5.491 1.00 0.00 H new ATOM 0 HA LYS A 68 8.494 -6.272 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.075 -8.665 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.512 -8.219 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.184 -6.694 6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.562 -6.070 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.321 -7.288 8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.630 -8.774 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.024 -7.068 8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.258 -7.858 9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.963 -9.250 8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.441 -9.978 8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.183 -9.212 7.118 1.00 0.00 H new ATOM 955 N VAL A 69 7.712 -7.679 2.090 1.00 0.00 N ATOM 956 CA VAL A 69 7.182 -8.391 0.940 1.00 0.00 C ATOM 957 C VAL A 69 6.588 -9.724 1.400 1.00 0.00 C ATOM 958 O VAL A 69 7.241 -10.486 2.111 1.00 0.00 O ATOM 959 CB VAL A 69 8.271 -8.557 -0.122 1.00 0.00 C ATOM 960 CG1 VAL A 69 8.085 -9.861 -0.899 1.00 0.00 C ATOM 961 CG2 VAL A 69 8.303 -7.354 -1.067 1.00 0.00 C ATOM 0 H VAL A 69 8.546 -7.123 1.900 1.00 0.00 H new ATOM 0 HA VAL A 69 6.379 -7.820 0.475 1.00 0.00 H new ATOM 0 HB VAL A 69 9.233 -8.607 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.872 -9.954 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.137 -10.705 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.113 -9.855 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.086 -7.497 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.339 -7.258 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.507 -6.448 -0.496 1.00 0.00 H new ATOM 971 N GLY A 70 5.356 -9.964 0.975 1.00 0.00 N ATOM 972 CA GLY A 70 4.667 -11.192 1.334 1.00 0.00 C ATOM 973 C GLY A 70 3.986 -11.059 2.698 1.00 0.00 C ATOM 974 O GLY A 70 3.940 -12.017 3.469 1.00 0.00 O ATOM 0 H GLY A 70 4.817 -9.329 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.923 -11.432 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.377 -12.019 1.357 1.00 0.00 H new ATOM 978 N GLU A 71 3.475 -9.865 2.955 1.00 0.00 N ATOM 979 CA GLU A 71 2.799 -9.594 4.213 1.00 0.00 C ATOM 980 C GLU A 71 1.285 -9.541 4.001 1.00 0.00 C ATOM 981 O GLU A 71 0.812 -8.986 3.010 1.00 0.00 O ATOM 982 CB GLU A 71 3.311 -8.297 4.843 1.00 0.00 C ATOM 983 CG GLU A 71 3.825 -8.543 6.263 1.00 0.00 C ATOM 984 CD GLU A 71 3.308 -7.473 7.226 1.00 0.00 C ATOM 985 OE1 GLU A 71 2.316 -6.793 6.923 1.00 0.00 O ATOM 986 OE2 GLU A 71 3.974 -7.361 8.325 1.00 0.00 O ATOM 0 H GLU A 71 3.515 -9.073 2.313 1.00 0.00 H new ATOM 0 HA GLU A 71 3.021 -10.407 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.111 -7.882 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.510 -7.558 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.506 -9.528 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.915 -8.542 6.264 1.00 0.00 H new ATOM 994 N LYS A 72 0.566 -10.125 4.948 1.00 0.00 N ATOM 995 CA LYS A 72 -0.885 -10.150 4.878 1.00 0.00 C ATOM 996 C LYS A 72 -1.462 -9.334 6.036 1.00 0.00 C ATOM 997 O LYS A 72 -1.634 -9.817 7.153 1.00 0.00 O ATOM 998 CB LYS A 72 -1.394 -11.592 4.828 1.00 0.00 C ATOM 999 CG LYS A 72 -1.230 -12.184 3.427 1.00 0.00 C ATOM 1000 CD LYS A 72 -2.578 -12.632 2.860 1.00 0.00 C ATOM 1001 CE LYS A 72 -2.693 -14.158 2.860 1.00 0.00 C ATOM 1002 NZ LYS A 72 -2.108 -14.722 1.623 1.00 0.00 N ATOM 0 H LYS A 72 0.961 -10.585 5.768 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.230 -9.682 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.847 -12.199 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.444 -11.621 5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.781 -11.443 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.547 -13.033 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.386 -12.203 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.692 -12.255 1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.181 -14.567 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.740 -14.450 2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.194 -15.758 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.614 -14.345 0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.104 -14.459 1.563 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.762 -8.067 5.739 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.319 -7.119 6.679 1.00 0.00 C ATOM 1017 C PRO A 73 -3.499 -7.751 7.404 1.00 0.00 C ATOM 1018 O PRO A 73 -4.326 -8.386 6.751 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.771 -5.938 5.823 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.751 -5.968 4.663 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.574 -7.467 4.436 1.00 0.00 C ATOM 0 HA PRO A 73 -1.605 -6.810 7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.795 -6.060 5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.734 -4.998 6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.129 -5.462 3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.813 -5.482 4.932 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.301 -7.846 3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.585 -7.692 4.037 1.00 0.00 H new ATOM 1029 N THR A 74 -3.556 -7.571 8.715 1.00 0.00 N ATOM 1030 CA THR A 74 -4.641 -8.135 9.501 1.00 0.00 C ATOM 1031 C THR A 74 -5.809 -7.151 9.580 1.00 0.00 C ATOM 1032 O THR A 74 -5.618 -5.978 9.900 1.00 0.00 O ATOM 1033 CB THR A 74 -4.080 -8.523 10.871 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.477 -7.325 11.351 1.00 0.00 O ATOM 1035 CG2 THR A 74 -2.916 -9.511 10.768 1.00 0.00 C ATOM 0 H THR A 74 -2.869 -7.043 9.253 1.00 0.00 H new ATOM 0 HA THR A 74 -5.044 -9.033 9.032 1.00 0.00 H new ATOM 0 HB THR A 74 -4.873 -8.959 11.478 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.087 -6.879 11.975 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.555 -9.753 11.768 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.254 -10.422 10.274 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.108 -9.063 10.189 1.00 0.00 H new ATOM 1043 N CYS A 75 -6.994 -7.663 9.283 1.00 0.00 N ATOM 1044 CA CYS A 75 -8.194 -6.844 9.316 1.00 0.00 C ATOM 1045 C CYS A 75 -8.409 -6.365 10.753 1.00 0.00 C ATOM 1046 O CYS A 75 -9.048 -5.339 10.980 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.410 -7.601 8.778 1.00 0.00 C ATOM 1048 SG CYS A 75 -9.105 -8.558 7.249 1.00 0.00 S ATOM 0 H CYS A 75 -7.149 -8.636 9.018 1.00 0.00 H new ATOM 0 HA CYS A 75 -8.067 -5.981 8.662 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.767 -8.282 9.551 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -10.211 -6.886 8.588 1.00 0.00 H new ATOM 0 HG CYS A 75 -10.200 -8.620 6.551 1.00 0.00 H new ATOM 1053 N ASP A 76 -7.864 -7.132 11.686 1.00 0.00 N ATOM 1054 CA ASP A 76 -7.988 -6.798 13.095 1.00 0.00 C ATOM 1055 C ASP A 76 -7.237 -5.495 13.374 1.00 0.00 C ATOM 1056 O ASP A 76 -7.360 -4.924 14.457 1.00 0.00 O ATOM 1057 CB ASP A 76 -7.380 -7.892 13.975 1.00 0.00 C ATOM 1058 CG ASP A 76 -8.126 -8.158 15.284 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -9.142 -8.869 15.307 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -7.617 -7.593 16.326 1.00 0.00 O ATOM 0 H ASP A 76 -7.336 -7.983 11.494 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.048 -6.697 13.326 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.341 -8.818 13.402 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.351 -7.619 14.210 1.00 0.00 H new ATOM 1066 N THR A 77 -6.477 -5.062 12.379 1.00 0.00 N ATOM 1067 CA THR A 77 -5.707 -3.836 12.504 1.00 0.00 C ATOM 1068 C THR A 77 -6.548 -2.632 12.078 1.00 0.00 C ATOM 1069 O THR A 77 -6.018 -1.541 11.870 1.00 0.00 O ATOM 1070 CB THR A 77 -4.423 -4.000 11.689 1.00 0.00 C ATOM 1071 OG1 THR A 77 -3.784 -5.134 12.269 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.433 -2.856 11.919 1.00 0.00 C ATOM 0 H THR A 77 -6.378 -5.538 11.483 1.00 0.00 H new ATOM 0 HA THR A 77 -5.429 -3.647 13.541 1.00 0.00 H new ATOM 0 HB THR A 77 -4.672 -4.057 10.629 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.327 -5.646 11.569 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.539 -3.022 11.317 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.895 -1.912 11.631 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.159 -2.819 12.973 1.00 0.00 H new ATOM 1080 N CYS A 78 -7.846 -2.869 11.960 1.00 0.00 N ATOM 1081 CA CYS A 78 -8.767 -1.817 11.562 1.00 0.00 C ATOM 1082 C CYS A 78 -10.190 -2.276 11.887 1.00 0.00 C ATOM 1083 O CYS A 78 -10.916 -1.593 12.608 1.00 0.00 O ATOM 1084 CB CYS A 78 -8.607 -1.456 10.084 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.371 -0.119 9.897 1.00 0.00 S ATOM 0 H CYS A 78 -8.282 -3.775 12.133 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.545 -0.906 12.117 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.294 -2.334 9.519 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.565 -1.137 9.673 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.371 -0.337 10.699 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.545 -3.429 11.340 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.868 -3.986 11.562 1.00 0.00 C ATOM 1092 C HIS A 79 -11.847 -4.877 12.806 1.00 0.00 C ATOM 1093 O HIS A 79 -10.935 -5.683 12.981 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.366 -4.720 10.316 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.449 -3.851 9.084 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -13.283 -2.750 8.998 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -11.795 -3.932 7.890 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -13.130 -2.201 7.802 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.207 -2.935 7.116 1.00 0.00 N ATOM 0 H HIS A 79 -9.939 -3.993 10.744 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.579 -3.180 11.746 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.702 -5.560 10.112 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.352 -5.136 10.522 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -13.909 -2.418 9.731 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.065 -4.681 7.620 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.645 -1.326 7.435 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.948 -9.395 10.828 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.450 -9.220 9.474 1.00 0.00 C ATOM 1142 C ARG A 83 -12.129 -9.970 9.293 1.00 0.00 C ATOM 1143 O ARG A 83 -11.217 -9.833 10.107 1.00 0.00 O ATOM 1144 CB ARG A 83 -13.235 -7.739 9.153 1.00 0.00 C ATOM 1145 CG ARG A 83 -14.075 -7.312 7.948 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.527 -7.768 8.103 1.00 0.00 C ATOM 1147 NE ARG A 83 -16.434 -6.600 8.046 1.00 0.00 N ATOM 1148 CZ ARG A 83 -16.933 -6.084 6.902 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -16.616 -6.630 5.709 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -17.735 -5.038 6.969 1.00 0.00 N ATOM 0 HA ARG A 83 -14.198 -9.624 8.791 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.501 -7.133 10.019 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.180 -7.557 8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.040 -6.228 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.652 -7.736 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.781 -8.475 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.653 -8.291 9.051 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.699 -6.157 8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.995 -7.438 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.997 -6.234 4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.969 -4.632 7.875 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.121 -4.636 6.115 1.00 0.00 H new ATOM 1160 N THR A 84 -12.068 -10.747 8.222 1.00 0.00 N ATOM 1161 CA THR A 84 -10.874 -11.520 7.924 1.00 0.00 C ATOM 1162 C THR A 84 -10.562 -11.464 6.427 1.00 0.00 C ATOM 1163 O THR A 84 -11.451 -11.217 5.613 1.00 0.00 O ATOM 1164 CB THR A 84 -11.088 -12.941 8.448 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.412 -13.267 8.036 1.00 0.00 O ATOM 1166 CG2 THR A 84 -11.148 -13.000 9.976 1.00 0.00 C ATOM 0 H THR A 84 -12.827 -10.858 7.549 1.00 0.00 H new ATOM 0 HA THR A 84 -9.998 -11.103 8.422 1.00 0.00 H new ATOM 0 HB THR A 84 -10.283 -13.584 8.092 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.633 -14.174 8.333 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.301 -14.031 10.295 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.212 -12.627 10.392 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.974 -12.384 10.332 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.298 -11.698 6.110 1.00 0.00 N ATOM 1175 CA ALA A 85 -8.858 -11.678 4.725 1.00 0.00 C ATOM 1176 C ALA A 85 -9.525 -12.826 3.965 1.00 0.00 C ATOM 1177 O ALA A 85 -9.816 -13.872 4.544 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.330 -11.755 4.673 1.00 0.00 C ATOM 0 H ALA A 85 -8.564 -11.903 6.788 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.155 -10.747 4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.000 -11.740 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.905 -10.902 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.996 -12.678 5.146 1.00 0.00 H new ATOM 1184 N LYS A 86 -9.748 -12.593 2.680 1.00 0.00 N ATOM 1185 CA LYS A 86 -10.376 -13.594 1.836 1.00 0.00 C ATOM 1186 C LYS A 86 -9.294 -14.362 1.073 1.00 0.00 C ATOM 1187 O LYS A 86 -8.970 -15.496 1.422 1.00 0.00 O ATOM 1188 CB LYS A 86 -11.426 -12.949 0.930 1.00 0.00 C ATOM 1189 CG LYS A 86 -12.836 -13.165 1.484 1.00 0.00 C ATOM 1190 CD LYS A 86 -13.619 -11.851 1.518 1.00 0.00 C ATOM 1191 CE LYS A 86 -14.537 -11.729 0.300 1.00 0.00 C ATOM 1192 NZ LYS A 86 -15.845 -11.159 0.692 1.00 0.00 N ATOM 0 H LYS A 86 -9.505 -11.725 2.203 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.916 -14.320 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.227 -11.881 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.356 -13.372 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.365 -13.892 0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.776 -13.583 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.212 -11.800 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.925 -11.010 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.069 -11.096 -0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.682 -12.710 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.456 -11.083 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.297 -11.778 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.703 -10.214 1.103 1.00 0.00 H new