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 -150:sc= 1.12 USER MOD Set 1.2: A 77 THR OG1 : rot 104:sc= 0.911 USER MOD Set 2.1: A 19 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-4.1!) USER MOD Set 2.2: A 65 HIS : no HE2:sc= 0 X(o=-2.6,f=-2.7) USER MOD Set 3.1: A 52 HIS : no HE2:sc= 0 X(o=-0.0054,f=-0.0065) USER MOD Set 3.2: A 79 HIS : no HD1:sc=-0.00535 X(o=-0.0054,f=0) USER MOD Set 4.1: A 49 HIS : no HE2:sc= 0.951 K(o=0.95,f=-3.3!) USER MOD Set 4.2: A 62 HIS : no HD1:sc= 0 X(o=0.95,f=0.94) USER MOD Set 5.1: A 9 HIS : no HE2:sc= 0.282 K(o=0.28,f=-1) USER MOD Set 5.2: A 39 HIS : no HD1:sc= 0 X(o=0.28,f=0.27) USER MOD Set 6.1: A 17 ASN : amide:sc= -0.128 X(o=-1.9,f=-2) USER MOD Set 6.2: A 18 CYS SG : rot 180:sc= -1.75! USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 12 MET CE :methyl -117:sc= -3.21! (180deg=-9.5!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -103:sc= -2.68! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.842 K(o=-0.84,f=-2!) USER MOD Single : A 35 CYS SG : rot 52:sc= 0.137 USER MOD Single : A 36 GLN : amide:sc= -5.57! C(o=-5.6!,f=-5.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0535 USER MOD Single : A 41 SER OG : rot 180:sc= 0.017 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -151:sc=-0.00179 (180deg=-1.32!) USER MOD Single : A 58 CYS SG : rot -170:sc= 0.0555 USER MOD Single : A 61 CYS SG : rot 180:sc= -3.02! 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 180:sc= 0.102 USER MOD Single : A 78 CYS SG : rot 53:sc= 0.0249 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 12.938 -8.315 3.450 1.00 0.00 N ATOM 25 CA GLU A 3 13.094 -6.968 2.929 1.00 0.00 C ATOM 26 C GLU A 3 11.734 -6.273 2.836 1.00 0.00 C ATOM 27 O GLU A 3 10.771 -6.851 2.335 1.00 0.00 O ATOM 28 CB GLU A 3 13.795 -6.984 1.569 1.00 0.00 C ATOM 29 CG GLU A 3 12.873 -7.543 0.484 1.00 0.00 C ATOM 30 CD GLU A 3 13.610 -8.558 -0.393 1.00 0.00 C ATOM 31 OE1 GLU A 3 13.807 -9.709 0.023 1.00 0.00 O ATOM 32 OE2 GLU A 3 13.981 -8.113 -1.546 1.00 0.00 O ATOM 0 HA GLU A 3 13.722 -6.404 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.104 -5.973 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.700 -7.589 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.007 -8.017 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.497 -6.728 -0.134 1.00 0.00 H new ATOM 40 N THR A 4 11.699 -5.043 3.328 1.00 0.00 N ATOM 41 CA THR A 4 10.473 -4.263 3.306 1.00 0.00 C ATOM 42 C THR A 4 9.970 -4.099 1.871 1.00 0.00 C ATOM 43 O THR A 4 10.734 -4.257 0.920 1.00 0.00 O ATOM 44 CB THR A 4 10.747 -2.932 4.010 1.00 0.00 C ATOM 45 OG1 THR A 4 11.905 -2.424 3.353 1.00 0.00 O ATOM 46 CG2 THR A 4 11.193 -3.119 5.462 1.00 0.00 C ATOM 0 H THR A 4 12.500 -4.568 3.744 1.00 0.00 H new ATOM 0 HA THR A 4 9.671 -4.772 3.841 1.00 0.00 H new ATOM 0 HB THR A 4 9.849 -2.315 3.983 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.152 -1.561 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.374 -2.144 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.413 -3.639 6.018 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.110 -3.707 5.488 1.00 0.00 H new ATOM 54 N LEU A 5 8.688 -3.784 1.760 1.00 0.00 N ATOM 55 CA LEU A 5 8.074 -3.597 0.456 1.00 0.00 C ATOM 56 C LEU A 5 8.779 -2.454 -0.276 1.00 0.00 C ATOM 57 O LEU A 5 9.055 -2.554 -1.470 1.00 0.00 O ATOM 58 CB LEU A 5 6.563 -3.397 0.600 1.00 0.00 C ATOM 59 CG LEU A 5 5.707 -3.891 -0.568 1.00 0.00 C ATOM 60 CD1 LEU A 5 5.109 -5.266 -0.266 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.632 -2.865 -0.932 1.00 0.00 C ATOM 0 H LEU A 5 8.058 -3.654 2.551 1.00 0.00 H new ATOM 0 HA LEU A 5 8.198 -4.491 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.234 -3.905 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.369 -2.334 0.743 1.00 0.00 H new ATOM 0 HG LEU A 5 6.351 -4.005 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.505 -5.594 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.912 -5.982 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.483 -5.203 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.038 -3.241 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.985 -2.695 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.107 -1.927 -1.219 1.00 0.00 H new ATOM 73 N ALA A 6 9.050 -1.394 0.471 1.00 0.00 N ATOM 74 CA ALA A 6 9.719 -0.233 -0.092 1.00 0.00 C ATOM 75 C ALA A 6 11.078 -0.654 -0.652 1.00 0.00 C ATOM 76 O ALA A 6 11.563 -0.069 -1.620 1.00 0.00 O ATOM 77 CB ALA A 6 9.840 0.855 0.977 1.00 0.00 C ATOM 0 H ALA A 6 8.819 -1.315 1.461 1.00 0.00 H new ATOM 0 HA ALA A 6 9.138 0.182 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.342 1.726 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.845 1.140 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.419 0.475 1.819 1.00 0.00 H new ATOM 83 N GLU A 7 11.656 -1.665 -0.020 1.00 0.00 N ATOM 84 CA GLU A 7 12.950 -2.172 -0.443 1.00 0.00 C ATOM 85 C GLU A 7 12.809 -2.973 -1.739 1.00 0.00 C ATOM 86 O GLU A 7 13.532 -2.731 -2.704 1.00 0.00 O ATOM 87 CB GLU A 7 13.594 -3.017 0.657 1.00 0.00 C ATOM 88 CG GLU A 7 15.062 -3.307 0.337 1.00 0.00 C ATOM 89 CD GLU A 7 15.917 -2.049 0.497 1.00 0.00 C ATOM 90 OE1 GLU A 7 15.573 -1.162 1.293 1.00 0.00 O ATOM 91 OE2 GLU A 7 16.974 -2.010 -0.241 1.00 0.00 O ATOM 0 H GLU A 7 11.251 -2.147 0.783 1.00 0.00 H new ATOM 0 HA GLU A 7 13.606 -1.323 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.522 -2.494 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.050 -3.955 0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.434 -4.090 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.148 -3.682 -0.683 1.00 0.00 H new ATOM 99 N PHE A 8 11.873 -3.910 -1.718 1.00 0.00 N ATOM 100 CA PHE A 8 11.628 -4.748 -2.880 1.00 0.00 C ATOM 101 C PHE A 8 11.411 -3.898 -4.133 1.00 0.00 C ATOM 102 O PHE A 8 11.854 -4.266 -5.221 1.00 0.00 O ATOM 103 CB PHE A 8 10.355 -5.548 -2.594 1.00 0.00 C ATOM 104 CG PHE A 8 9.897 -6.427 -3.759 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.646 -7.498 -4.137 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.743 -6.139 -4.416 1.00 0.00 C ATOM 107 CE1 PHE A 8 10.221 -8.315 -5.219 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.318 -6.955 -5.498 1.00 0.00 C ATOM 109 CZ PHE A 8 9.067 -8.026 -5.876 1.00 0.00 C ATOM 0 H PHE A 8 11.275 -4.108 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 8 12.485 -5.397 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.523 -6.179 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.553 -4.856 -2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.563 -7.727 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.149 -5.289 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.815 -9.166 -5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.401 -6.725 -6.020 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.744 -8.647 -6.699 1.00 0.00 H new ATOM 119 N HIS A 9 10.730 -2.779 -3.940 1.00 0.00 N ATOM 120 CA HIS A 9 10.449 -1.874 -5.041 1.00 0.00 C ATOM 121 C HIS A 9 11.722 -1.114 -5.419 1.00 0.00 C ATOM 122 O HIS A 9 11.954 -0.828 -6.593 1.00 0.00 O ATOM 123 CB HIS A 9 9.284 -0.943 -4.697 1.00 0.00 C ATOM 124 CG HIS A 9 7.922 -1.557 -4.917 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.282 -2.324 -3.959 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.086 -1.508 -5.993 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.114 -2.715 -4.448 1.00 0.00 C ATOM 128 NE2 HIS A 9 5.995 -2.209 -5.709 1.00 0.00 N ATOM 0 H HIS A 9 10.364 -2.478 -3.037 1.00 0.00 H new ATOM 0 HA HIS A 9 10.135 -2.446 -5.914 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.370 -0.640 -3.654 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.365 -0.038 -5.300 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.647 -2.550 -3.034 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.279 -0.987 -6.919 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.385 -3.327 -3.938 1.00 0.00 H new ATOM 136 N VAL A 10 12.515 -0.810 -4.402 1.00 0.00 N ATOM 137 CA VAL A 10 13.759 -0.090 -4.613 1.00 0.00 C ATOM 138 C VAL A 10 14.648 -0.885 -5.571 1.00 0.00 C ATOM 139 O VAL A 10 15.061 -0.372 -6.610 1.00 0.00 O ATOM 140 CB VAL A 10 14.433 0.195 -3.269 1.00 0.00 C ATOM 141 CG1 VAL A 10 15.939 0.400 -3.443 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.792 1.400 -2.578 1.00 0.00 C ATOM 0 H VAL A 10 12.320 -1.049 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 10 13.566 0.877 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 10 14.285 -0.675 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.393 0.601 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.381 -0.499 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.117 1.245 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.290 1.580 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.894 2.280 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.735 1.199 -2.403 1.00 0.00 H new ATOM 152 N GLU A 11 14.917 -2.124 -5.187 1.00 0.00 N ATOM 153 CA GLU A 11 15.749 -2.995 -5.999 1.00 0.00 C ATOM 154 C GLU A 11 15.226 -3.042 -7.436 1.00 0.00 C ATOM 155 O GLU A 11 15.957 -3.404 -8.356 1.00 0.00 O ATOM 156 CB GLU A 11 15.824 -4.400 -5.397 1.00 0.00 C ATOM 157 CG GLU A 11 16.878 -5.248 -6.113 1.00 0.00 C ATOM 158 CD GLU A 11 16.676 -6.736 -5.819 1.00 0.00 C ATOM 159 OE1 GLU A 11 15.700 -7.335 -6.295 1.00 0.00 O ATOM 160 OE2 GLU A 11 17.577 -7.270 -5.067 1.00 0.00 O ATOM 0 H GLU A 11 14.573 -2.545 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 11 16.760 -2.587 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.066 -4.333 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.850 -4.884 -5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.821 -5.075 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.874 -4.942 -5.794 1.00 0.00 H new ATOM 168 N MET A 12 13.962 -2.670 -7.584 1.00 0.00 N ATOM 169 CA MET A 12 13.332 -2.665 -8.893 1.00 0.00 C ATOM 170 C MET A 12 13.218 -1.241 -9.441 1.00 0.00 C ATOM 171 O MET A 12 12.425 -0.981 -10.344 1.00 0.00 O ATOM 172 CB MET A 12 11.938 -3.286 -8.791 1.00 0.00 C ATOM 173 CG MET A 12 11.939 -4.724 -9.313 1.00 0.00 C ATOM 174 SD MET A 12 11.322 -5.830 -8.055 1.00 0.00 S ATOM 175 CE MET A 12 9.863 -4.937 -7.546 1.00 0.00 C ATOM 0 H MET A 12 13.358 -2.370 -6.819 1.00 0.00 H new ATOM 0 HA MET A 12 13.950 -3.248 -9.575 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.605 -3.272 -7.753 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.227 -2.689 -9.362 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.320 -4.795 -10.207 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.949 -5.015 -9.601 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.961 -4.646 -6.500 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.749 -4.045 -8.162 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.987 -5.574 -7.664 1.00 0.00 H new ATOM 185 N GLY A 13 14.022 -0.355 -8.870 1.00 0.00 N ATOM 186 CA GLY A 13 14.021 1.036 -9.290 1.00 0.00 C ATOM 187 C GLY A 13 14.909 1.885 -8.378 1.00 0.00 C ATOM 188 O GLY A 13 16.035 2.220 -8.740 1.00 0.00 O ATOM 0 H GLY A 13 14.678 -0.574 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.375 1.109 -10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.002 1.423 -9.275 1.00 0.00 H new ATOM 192 N GLY A 14 14.368 2.207 -7.212 1.00 0.00 N ATOM 193 CA GLY A 14 15.097 3.010 -6.245 1.00 0.00 C ATOM 194 C GLY A 14 14.139 3.688 -5.263 1.00 0.00 C ATOM 195 O GLY A 14 12.956 3.357 -5.215 1.00 0.00 O ATOM 0 H GLY A 14 13.433 1.926 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.798 2.380 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.686 3.766 -6.765 1.00 0.00 H new ATOM 199 N CYS A 15 14.688 4.624 -4.502 1.00 0.00 N ATOM 200 CA CYS A 15 13.898 5.351 -3.523 1.00 0.00 C ATOM 201 C CYS A 15 12.979 6.319 -4.271 1.00 0.00 C ATOM 202 O CYS A 15 11.995 6.803 -3.713 1.00 0.00 O ATOM 203 CB CYS A 15 14.783 6.075 -2.507 1.00 0.00 C ATOM 204 SG CYS A 15 15.795 4.975 -1.450 1.00 0.00 S ATOM 0 H CYS A 15 15.670 4.895 -4.544 1.00 0.00 H new ATOM 0 HA CYS A 15 13.294 4.650 -2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.447 6.753 -3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.150 6.689 -1.867 1.00 0.00 H new ATOM 0 HG CYS A 15 16.505 5.693 -0.631 1.00 0.00 H new ATOM 209 N GLU A 16 13.333 6.573 -5.523 1.00 0.00 N ATOM 210 CA GLU A 16 12.552 7.475 -6.352 1.00 0.00 C ATOM 211 C GLU A 16 11.362 6.734 -6.967 1.00 0.00 C ATOM 212 O GLU A 16 10.705 7.250 -7.870 1.00 0.00 O ATOM 213 CB GLU A 16 13.421 8.112 -7.438 1.00 0.00 C ATOM 214 CG GLU A 16 14.571 8.911 -6.821 1.00 0.00 C ATOM 215 CD GLU A 16 15.762 8.005 -6.506 1.00 0.00 C ATOM 216 OE1 GLU A 16 16.008 7.688 -5.333 1.00 0.00 O ATOM 217 OE2 GLU A 16 16.445 7.626 -7.533 1.00 0.00 O ATOM 0 H GLU A 16 14.150 6.170 -5.983 1.00 0.00 H new ATOM 0 HA GLU A 16 12.169 8.278 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.821 7.336 -8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.811 8.767 -8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.881 9.699 -7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.230 9.400 -5.908 1.00 0.00 H new ATOM 225 N ASN A 17 11.122 5.537 -6.453 1.00 0.00 N ATOM 226 CA ASN A 17 10.023 4.720 -6.941 1.00 0.00 C ATOM 227 C ASN A 17 8.699 5.306 -6.444 1.00 0.00 C ATOM 228 O ASN A 17 7.658 5.115 -7.070 1.00 0.00 O ATOM 229 CB ASN A 17 10.130 3.286 -6.421 1.00 0.00 C ATOM 230 CG ASN A 17 9.400 2.311 -7.347 1.00 0.00 C ATOM 231 OD1 ASN A 17 9.989 1.436 -7.960 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.086 2.510 -7.413 1.00 0.00 N ATOM 0 H ASN A 17 11.669 5.113 -5.704 1.00 0.00 H new ATOM 0 HA ASN A 17 10.065 4.712 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.179 3.001 -6.342 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.707 3.227 -5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.509 1.911 -8.003 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.656 3.261 -6.873 1.00 0.00 H new ATOM 239 N CYS A 18 8.783 6.006 -5.323 1.00 0.00 N ATOM 240 CA CYS A 18 7.604 6.620 -4.734 1.00 0.00 C ATOM 241 C CYS A 18 8.031 7.920 -4.049 1.00 0.00 C ATOM 242 O CYS A 18 7.380 8.373 -3.109 1.00 0.00 O ATOM 243 CB CYS A 18 6.895 5.671 -3.767 1.00 0.00 C ATOM 244 SG CYS A 18 7.049 3.945 -4.357 1.00 0.00 S ATOM 0 H CYS A 18 9.649 6.162 -4.806 1.00 0.00 H new ATOM 0 HA CYS A 18 6.878 6.844 -5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.328 5.763 -2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.843 5.943 -3.684 1.00 0.00 H new ATOM 0 HG CYS A 18 6.445 3.147 -3.527 1.00 0.00 H new ATOM 249 N HIS A 19 9.124 8.482 -4.545 1.00 0.00 N ATOM 250 CA HIS A 19 9.645 9.720 -3.992 1.00 0.00 C ATOM 251 C HIS A 19 10.257 10.565 -5.111 1.00 0.00 C ATOM 252 O HIS A 19 10.990 10.048 -5.953 1.00 0.00 O ATOM 253 CB HIS A 19 10.631 9.436 -2.857 1.00 0.00 C ATOM 254 CG HIS A 19 10.018 8.724 -1.675 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.780 9.060 -1.157 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.485 7.691 -0.916 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.523 8.260 -0.133 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.582 7.413 0.016 1.00 0.00 N ATOM 0 H HIS A 19 9.663 8.103 -5.324 1.00 0.00 H new ATOM 0 HA HIS A 19 8.831 10.296 -3.552 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.452 8.833 -3.245 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.060 10.379 -2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.430 7.185 -1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.632 8.276 0.477 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.666 6.686 0.726 1.00 0.00 H new ATOM 266 N ALA A 20 9.933 11.849 -5.084 1.00 0.00 N ATOM 267 CA ALA A 20 10.442 12.770 -6.087 1.00 0.00 C ATOM 268 C ALA A 20 11.664 13.502 -5.527 1.00 0.00 C ATOM 269 O ALA A 20 11.566 14.201 -4.520 1.00 0.00 O ATOM 270 CB ALA A 20 9.329 13.732 -6.508 1.00 0.00 C ATOM 0 H ALA A 20 9.325 12.274 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 20 10.761 12.230 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.710 14.423 -7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.496 13.165 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.986 14.294 -5.639 1.00 0.00 H new ATOM 276 N ASP A 21 12.787 13.316 -6.205 1.00 0.00 N ATOM 277 CA ASP A 21 14.026 13.950 -5.788 1.00 0.00 C ATOM 278 C ASP A 21 14.180 13.812 -4.272 1.00 0.00 C ATOM 279 O ASP A 21 14.634 14.739 -3.604 1.00 0.00 O ATOM 280 CB ASP A 21 14.024 15.442 -6.129 1.00 0.00 C ATOM 281 CG ASP A 21 14.349 15.773 -7.587 1.00 0.00 C ATOM 282 OD1 ASP A 21 15.472 16.183 -7.913 1.00 0.00 O ATOM 283 OD2 ASP A 21 13.378 15.592 -8.417 1.00 0.00 O ATOM 0 H ASP A 21 12.865 12.735 -7.040 1.00 0.00 H new ATOM 0 HA ASP A 21 14.847 13.461 -6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.043 15.853 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.747 15.947 -5.488 1.00 0.00 H new ATOM 289 N GLY A 22 13.793 12.647 -3.774 1.00 0.00 N ATOM 290 CA GLY A 22 13.882 12.375 -2.350 1.00 0.00 C ATOM 291 C GLY A 22 13.116 13.425 -1.542 1.00 0.00 C ATOM 292 O GLY A 22 13.681 14.066 -0.657 1.00 0.00 O ATOM 0 H GLY A 22 13.417 11.880 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.479 11.384 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.928 12.366 -2.043 1.00 0.00 H new ATOM 296 N GLU A 23 11.842 13.569 -1.876 1.00 0.00 N ATOM 297 CA GLU A 23 10.993 14.530 -1.193 1.00 0.00 C ATOM 298 C GLU A 23 9.611 13.927 -0.933 1.00 0.00 C ATOM 299 O GLU A 23 8.630 14.228 -1.610 1.00 0.00 O ATOM 300 CB GLU A 23 10.882 15.830 -1.993 1.00 0.00 C ATOM 301 CG GLU A 23 10.712 17.033 -1.063 1.00 0.00 C ATOM 302 CD GLU A 23 10.049 18.201 -1.796 1.00 0.00 C ATOM 303 OE1 GLU A 23 9.002 18.019 -2.434 1.00 0.00 O ATOM 304 OE2 GLU A 23 10.660 19.332 -1.683 1.00 0.00 O ATOM 0 H GLU A 23 11.377 13.036 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 23 11.450 14.770 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.774 15.962 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.034 15.770 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.108 16.749 -0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.685 17.343 -0.682 1.00 0.00 H new ATOM 312 N PRO A 24 9.556 13.056 0.077 1.00 0.00 N ATOM 313 CA PRO A 24 8.354 12.369 0.498 1.00 0.00 C ATOM 314 C PRO A 24 7.203 13.361 0.585 1.00 0.00 C ATOM 315 O PRO A 24 7.306 14.325 1.342 1.00 0.00 O ATOM 316 CB PRO A 24 8.690 11.798 1.874 1.00 0.00 C ATOM 317 CG PRO A 24 10.152 11.617 1.849 1.00 0.00 C ATOM 318 CD PRO A 24 10.690 12.679 0.893 1.00 0.00 C ATOM 0 HA PRO A 24 8.048 11.586 -0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.387 12.477 2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.176 10.853 2.048 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.577 11.737 2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.416 10.616 1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.087 13.536 1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.502 12.285 0.282 1.00 0.00 H new ATOM 326 N SER A 25 6.148 13.115 -0.177 1.00 0.00 N ATOM 327 CA SER A 25 4.996 14.001 -0.169 1.00 0.00 C ATOM 328 C SER A 25 4.557 14.277 1.270 1.00 0.00 C ATOM 329 O SER A 25 4.858 13.499 2.174 1.00 0.00 O ATOM 330 CB SER A 25 3.838 13.406 -0.973 1.00 0.00 C ATOM 331 OG SER A 25 3.298 14.340 -1.903 1.00 0.00 O ATOM 0 H SER A 25 6.066 12.315 -0.804 1.00 0.00 H new ATOM 0 HA SER A 25 5.284 14.941 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.185 12.522 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.053 13.079 -0.291 1.00 0.00 H new ATOM 0 HG SER A 25 2.453 14.696 -1.556 1.00 0.00 H new ATOM 337 N LYS A 26 3.853 15.386 1.438 1.00 0.00 N ATOM 338 CA LYS A 26 3.369 15.774 2.752 1.00 0.00 C ATOM 339 C LYS A 26 1.845 15.654 2.786 1.00 0.00 C ATOM 340 O LYS A 26 1.169 16.456 3.430 1.00 0.00 O ATOM 341 CB LYS A 26 3.885 17.166 3.124 1.00 0.00 C ATOM 342 CG LYS A 26 3.433 18.209 2.100 1.00 0.00 C ATOM 343 CD LYS A 26 4.599 18.645 1.209 1.00 0.00 C ATOM 344 CE LYS A 26 5.529 19.605 1.954 1.00 0.00 C ATOM 345 NZ LYS A 26 6.828 19.715 1.255 1.00 0.00 N ATOM 0 H LYS A 26 3.606 16.029 0.686 1.00 0.00 H new ATOM 0 HA LYS A 26 3.759 15.100 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.520 17.441 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.974 17.152 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.634 17.796 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.021 19.076 2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.160 17.769 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.214 19.129 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.064 20.588 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.686 19.251 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.447 20.370 1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.277 18.778 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.674 20.074 0.291 1.00 0.00 H new ATOM 358 N ASP A 27 1.347 14.646 2.085 1.00 0.00 N ATOM 359 CA ASP A 27 -0.086 14.411 2.026 1.00 0.00 C ATOM 360 C ASP A 27 -0.352 12.904 2.033 1.00 0.00 C ATOM 361 O ASP A 27 -0.974 12.384 2.958 1.00 0.00 O ATOM 362 CB ASP A 27 -0.688 14.992 0.745 1.00 0.00 C ATOM 363 CG ASP A 27 0.181 14.838 -0.505 1.00 0.00 C ATOM 364 OD1 ASP A 27 1.371 14.501 -0.418 1.00 0.00 O ATOM 365 OD2 ASP A 27 -0.419 15.085 -1.620 1.00 0.00 O ATOM 0 H ASP A 27 1.910 13.983 1.553 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.543 14.894 2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.649 14.511 0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.887 16.052 0.903 1.00 0.00 H new ATOM 371 N GLY A 28 0.132 12.246 0.990 1.00 0.00 N ATOM 372 CA GLY A 28 -0.045 10.809 0.864 1.00 0.00 C ATOM 373 C GLY A 28 -0.661 10.450 -0.489 1.00 0.00 C ATOM 374 O GLY A 28 -0.263 9.469 -1.116 1.00 0.00 O ATOM 0 H GLY A 28 0.647 12.681 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.917 10.309 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.686 10.446 1.667 1.00 0.00 H new ATOM 378 N ALA A 29 -1.624 11.262 -0.900 1.00 0.00 N ATOM 379 CA ALA A 29 -2.299 11.042 -2.167 1.00 0.00 C ATOM 380 C ALA A 29 -1.263 11.007 -3.293 1.00 0.00 C ATOM 381 O ALA A 29 -1.347 10.221 -4.234 1.00 0.00 O ATOM 382 CB ALA A 29 -3.354 12.130 -2.379 1.00 0.00 C ATOM 0 H ALA A 29 -1.953 12.074 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.816 10.082 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.861 11.965 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.082 12.094 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.872 13.107 -2.390 1.00 0.00 H new ATOM 388 N TYR A 30 -0.270 11.891 -3.173 1.00 0.00 N ATOM 389 CA TYR A 30 0.789 11.986 -4.157 1.00 0.00 C ATOM 390 C TYR A 30 1.418 10.617 -4.373 1.00 0.00 C ATOM 391 O TYR A 30 1.704 10.268 -5.517 1.00 0.00 O ATOM 392 CB TYR A 30 1.834 12.992 -3.682 1.00 0.00 C ATOM 393 CG TYR A 30 2.870 13.324 -4.729 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.476 13.584 -6.047 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.226 13.373 -4.381 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.437 13.892 -7.017 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.187 13.680 -5.351 1.00 0.00 C ATOM 398 CZ TYR A 30 4.792 13.940 -6.670 1.00 0.00 C ATOM 399 OH TYR A 30 5.729 14.239 -7.615 1.00 0.00 O ATOM 0 H TYR A 30 -0.185 12.549 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 30 0.378 12.328 -5.107 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.331 13.909 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.335 12.594 -2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.431 13.547 -6.315 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.530 13.174 -3.364 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.133 14.093 -8.034 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.233 13.716 -5.083 1.00 0.00 H new ATOM 0 HH TYR A 30 6.620 14.231 -7.206 1.00 0.00 H new ATOM 409 N GLU A 31 1.618 9.879 -3.291 1.00 0.00 N ATOM 410 CA GLU A 31 2.212 8.556 -3.387 1.00 0.00 C ATOM 411 C GLU A 31 1.254 7.594 -4.093 1.00 0.00 C ATOM 412 O GLU A 31 1.650 6.886 -5.018 1.00 0.00 O ATOM 413 CB GLU A 31 2.599 8.028 -2.004 1.00 0.00 C ATOM 414 CG GLU A 31 4.119 7.939 -1.857 1.00 0.00 C ATOM 415 CD GLU A 31 4.687 9.222 -1.247 1.00 0.00 C ATOM 416 OE1 GLU A 31 4.193 10.320 -1.543 1.00 0.00 O ATOM 417 OE2 GLU A 31 5.676 9.050 -0.438 1.00 0.00 O ATOM 0 H GLU A 31 1.379 10.172 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 31 3.124 8.630 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.193 8.684 -1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.157 7.044 -1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.378 7.087 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.573 7.764 -2.833 1.00 0.00 H new ATOM 425 N PHE A 32 0.013 7.600 -3.631 1.00 0.00 N ATOM 426 CA PHE A 32 -1.004 6.737 -4.207 1.00 0.00 C ATOM 427 C PHE A 32 -0.973 6.797 -5.736 1.00 0.00 C ATOM 428 O PHE A 32 -1.333 5.830 -6.406 1.00 0.00 O ATOM 429 CB PHE A 32 -2.359 7.253 -3.716 1.00 0.00 C ATOM 430 CG PHE A 32 -3.559 6.619 -4.423 1.00 0.00 C ATOM 431 CD1 PHE A 32 -3.467 5.355 -4.918 1.00 0.00 C ATOM 432 CD2 PHE A 32 -4.717 7.319 -4.556 1.00 0.00 C ATOM 433 CE1 PHE A 32 -4.581 4.767 -5.573 1.00 0.00 C ATOM 434 CE2 PHE A 32 -5.831 6.731 -5.212 1.00 0.00 C ATOM 435 CZ PHE A 32 -5.739 5.467 -5.707 1.00 0.00 C ATOM 0 H PHE A 32 -0.312 8.189 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.828 5.704 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.441 7.067 -2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.397 8.333 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.547 4.799 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.790 8.322 -4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.509 3.763 -5.965 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.751 7.287 -5.318 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.586 5.020 -6.206 1.00 0.00 H new ATOM 445 N GLU A 33 -0.538 7.941 -6.242 1.00 0.00 N ATOM 446 CA GLU A 33 -0.455 8.139 -7.679 1.00 0.00 C ATOM 447 C GLU A 33 0.612 7.222 -8.281 1.00 0.00 C ATOM 448 O GLU A 33 0.404 6.635 -9.342 1.00 0.00 O ATOM 449 CB GLU A 33 -0.170 9.605 -8.015 1.00 0.00 C ATOM 450 CG GLU A 33 -1.388 10.265 -8.665 1.00 0.00 C ATOM 451 CD GLU A 33 -0.979 11.506 -9.461 1.00 0.00 C ATOM 452 OE1 GLU A 33 -0.227 12.350 -8.951 1.00 0.00 O ATOM 453 OE2 GLU A 33 -1.470 11.576 -10.652 1.00 0.00 O ATOM 0 H GLU A 33 -0.239 8.740 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.419 7.880 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.099 10.144 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.685 9.668 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.884 9.553 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.109 10.543 -7.896 1.00 0.00 H new ATOM 461 N GLN A 34 1.730 7.127 -7.577 1.00 0.00 N ATOM 462 CA GLN A 34 2.829 6.291 -8.028 1.00 0.00 C ATOM 463 C GLN A 34 2.372 4.836 -8.158 1.00 0.00 C ATOM 464 O GLN A 34 2.821 4.117 -9.049 1.00 0.00 O ATOM 465 CB GLN A 34 4.029 6.406 -7.085 1.00 0.00 C ATOM 466 CG GLN A 34 4.581 7.832 -7.073 1.00 0.00 C ATOM 467 CD GLN A 34 4.651 8.406 -8.490 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.983 7.725 -9.447 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.320 9.691 -8.570 1.00 0.00 N ATOM 0 H GLN A 34 1.898 7.615 -6.697 1.00 0.00 H new ATOM 0 HA GLN A 34 3.145 6.641 -9.011 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.732 6.118 -6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.810 5.713 -7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.948 8.465 -6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.575 7.837 -6.625 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.052 10.202 -7.729 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.334 10.166 -9.472 1.00 0.00 H new ATOM 478 N CYS A 35 1.483 4.446 -7.255 1.00 0.00 N ATOM 479 CA CYS A 35 0.960 3.091 -7.258 1.00 0.00 C ATOM 480 C CYS A 35 -0.278 3.056 -8.156 1.00 0.00 C ATOM 481 O CYS A 35 -1.306 2.492 -7.781 1.00 0.00 O ATOM 482 CB CYS A 35 0.651 2.601 -5.841 1.00 0.00 C ATOM 483 SG CYS A 35 1.603 3.432 -4.517 1.00 0.00 S ATOM 0 H CYS A 35 1.112 5.045 -6.517 1.00 0.00 H new ATOM 0 HA CYS A 35 1.713 2.409 -7.652 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.412 2.741 -5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.846 1.530 -5.792 1.00 0.00 H new ATOM 0 HG CYS A 35 1.485 4.721 -4.641 1.00 0.00 H new ATOM 488 N GLN A 36 -0.140 3.665 -9.324 1.00 0.00 N ATOM 489 CA GLN A 36 -1.234 3.710 -10.279 1.00 0.00 C ATOM 490 C GLN A 36 -0.695 3.632 -11.709 1.00 0.00 C ATOM 491 O GLN A 36 -0.969 4.508 -12.528 1.00 0.00 O ATOM 492 CB GLN A 36 -2.083 4.967 -10.081 1.00 0.00 C ATOM 493 CG GLN A 36 -3.569 4.616 -9.979 1.00 0.00 C ATOM 494 CD GLN A 36 -4.287 5.546 -9.000 1.00 0.00 C ATOM 495 OE1 GLN A 36 -5.045 5.122 -8.143 1.00 0.00 O ATOM 496 NE2 GLN A 36 -4.007 6.835 -9.174 1.00 0.00 N ATOM 0 H GLN A 36 0.713 4.132 -9.631 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.876 2.846 -10.106 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.765 5.486 -9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.924 5.652 -10.914 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.032 4.691 -10.963 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.680 3.582 -9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.363 7.122 -9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.436 7.536 -8.570 1.00 0.00 H new ATOM 505 N SER A 37 0.062 2.575 -11.965 1.00 0.00 N ATOM 506 CA SER A 37 0.642 2.372 -13.282 1.00 0.00 C ATOM 507 C SER A 37 1.010 0.899 -13.469 1.00 0.00 C ATOM 508 O SER A 37 0.326 0.171 -14.187 1.00 0.00 O ATOM 509 CB SER A 37 1.873 3.257 -13.484 1.00 0.00 C ATOM 510 OG SER A 37 1.774 4.049 -14.664 1.00 0.00 O ATOM 0 H SER A 37 0.287 1.850 -11.283 1.00 0.00 H new ATOM 0 HA SER A 37 -0.100 2.653 -14.030 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.996 3.909 -12.619 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.764 2.631 -13.541 1.00 0.00 H new ATOM 0 HG SER A 37 2.579 4.601 -14.756 1.00 0.00 H new ATOM 516 N CYS A 38 2.091 0.504 -12.811 1.00 0.00 N ATOM 517 CA CYS A 38 2.558 -0.869 -12.897 1.00 0.00 C ATOM 518 C CYS A 38 1.504 -1.776 -12.259 1.00 0.00 C ATOM 519 O CYS A 38 1.552 -2.996 -12.415 1.00 0.00 O ATOM 520 CB CYS A 38 3.930 -1.041 -12.242 1.00 0.00 C ATOM 521 SG CYS A 38 5.018 0.360 -12.690 1.00 0.00 S ATOM 0 H CYS A 38 2.656 1.111 -12.217 1.00 0.00 H new ATOM 0 HA CYS A 38 2.689 -1.146 -13.943 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.821 -1.095 -11.159 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.381 -1.980 -12.564 1.00 0.00 H new ATOM 0 HG CYS A 38 6.179 0.205 -12.127 1.00 0.00 H new ATOM 526 N HIS A 39 0.575 -1.146 -11.555 1.00 0.00 N ATOM 527 CA HIS A 39 -0.490 -1.881 -10.894 1.00 0.00 C ATOM 528 C HIS A 39 -1.842 -1.457 -11.470 1.00 0.00 C ATOM 529 O HIS A 39 -2.338 -2.068 -12.415 1.00 0.00 O ATOM 530 CB HIS A 39 -0.410 -1.704 -9.376 1.00 0.00 C ATOM 531 CG HIS A 39 0.827 -2.304 -8.752 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.117 -3.656 -8.813 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.845 -1.723 -8.054 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.261 -3.868 -8.177 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.710 -2.668 -7.707 1.00 0.00 N ATOM 0 H HIS A 39 0.538 -0.135 -11.428 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.373 -2.948 -11.084 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.443 -0.640 -9.142 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.291 -2.157 -8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.932 -0.672 -7.823 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.751 -4.822 -8.053 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.569 -2.521 -7.176 1.00 0.00 H new ATOM 543 N GLY A 40 -2.400 -0.411 -10.877 1.00 0.00 N ATOM 544 CA GLY A 40 -3.685 0.102 -11.319 1.00 0.00 C ATOM 545 C GLY A 40 -4.426 0.789 -10.170 1.00 0.00 C ATOM 546 O GLY A 40 -3.810 1.205 -9.190 1.00 0.00 O ATOM 0 H GLY A 40 -1.985 0.095 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.537 0.809 -12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.291 -0.715 -11.711 1.00 0.00 H new ATOM 550 N SER A 41 -5.737 0.887 -10.329 1.00 0.00 N ATOM 551 CA SER A 41 -6.569 1.517 -9.318 1.00 0.00 C ATOM 552 C SER A 41 -7.337 0.450 -8.535 1.00 0.00 C ATOM 553 O SER A 41 -7.679 -0.599 -9.078 1.00 0.00 O ATOM 554 CB SER A 41 -7.541 2.516 -9.947 1.00 0.00 C ATOM 555 OG SER A 41 -8.560 2.917 -9.035 1.00 0.00 O ATOM 0 H SER A 41 -6.244 0.541 -11.143 1.00 0.00 H new ATOM 0 HA SER A 41 -5.921 2.065 -8.635 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.990 3.394 -10.284 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.000 2.069 -10.829 1.00 0.00 H new ATOM 0 HG SER A 41 -9.159 3.556 -9.474 1.00 0.00 H new ATOM 561 N LEU A 42 -7.587 0.756 -7.270 1.00 0.00 N ATOM 562 CA LEU A 42 -8.309 -0.163 -6.406 1.00 0.00 C ATOM 563 C LEU A 42 -9.661 -0.497 -7.041 1.00 0.00 C ATOM 564 O LEU A 42 -10.138 -1.626 -6.935 1.00 0.00 O ATOM 565 CB LEU A 42 -8.418 0.405 -4.990 1.00 0.00 C ATOM 566 CG LEU A 42 -7.103 0.832 -4.335 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.285 2.115 -3.523 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.517 -0.303 -3.492 1.00 0.00 C ATOM 0 H LEU A 42 -7.302 1.627 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.762 -1.101 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.084 1.267 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.891 -0.344 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.384 1.051 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.335 2.396 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.624 2.916 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.026 1.949 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.583 0.026 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.224 -0.578 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.326 -1.167 -4.128 1.00 0.00 H new ATOM 580 N ALA A 43 -10.239 0.505 -7.686 1.00 0.00 N ATOM 581 CA ALA A 43 -11.526 0.332 -8.338 1.00 0.00 C ATOM 582 C ALA A 43 -11.370 -0.627 -9.520 1.00 0.00 C ATOM 583 O ALA A 43 -12.359 -1.043 -10.121 1.00 0.00 O ATOM 584 CB ALA A 43 -12.071 1.697 -8.763 1.00 0.00 C ATOM 0 H ALA A 43 -9.840 1.440 -7.771 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.248 -0.108 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.036 1.567 -9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.192 2.330 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.374 2.167 -9.456 1.00 0.00 H new ATOM 590 N GLU A 44 -10.120 -0.950 -9.817 1.00 0.00 N ATOM 591 CA GLU A 44 -9.821 -1.852 -10.916 1.00 0.00 C ATOM 592 C GLU A 44 -9.167 -3.132 -10.390 1.00 0.00 C ATOM 593 O GLU A 44 -8.479 -3.832 -11.132 1.00 0.00 O ATOM 594 CB GLU A 44 -8.933 -1.171 -11.959 1.00 0.00 C ATOM 595 CG GLU A 44 -9.571 -1.234 -13.348 1.00 0.00 C ATOM 596 CD GLU A 44 -8.781 -0.394 -14.353 1.00 0.00 C ATOM 597 OE1 GLU A 44 -8.800 0.844 -14.276 1.00 0.00 O ATOM 598 OE2 GLU A 44 -8.130 -1.071 -15.238 1.00 0.00 O ATOM 0 H GLU A 44 -9.302 -0.603 -9.316 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.758 -2.120 -11.405 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.768 -0.131 -11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.956 -1.654 -11.981 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.612 -2.269 -13.687 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.599 -0.875 -13.297 1.00 0.00 H new ATOM 606 N MET A 45 -9.404 -3.398 -9.114 1.00 0.00 N ATOM 607 CA MET A 45 -8.847 -4.581 -8.481 1.00 0.00 C ATOM 608 C MET A 45 -9.954 -5.534 -8.027 1.00 0.00 C ATOM 609 O MET A 45 -11.126 -5.321 -8.336 1.00 0.00 O ATOM 610 CB MET A 45 -8.005 -4.164 -7.273 1.00 0.00 C ATOM 611 CG MET A 45 -6.805 -3.319 -7.706 1.00 0.00 C ATOM 612 SD MET A 45 -5.501 -3.446 -6.494 1.00 0.00 S ATOM 613 CE MET A 45 -4.486 -2.062 -6.985 1.00 0.00 C ATOM 0 H MET A 45 -9.974 -2.815 -8.502 1.00 0.00 H new ATOM 0 HA MET A 45 -8.224 -5.100 -9.209 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.620 -3.597 -6.575 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.657 -5.051 -6.744 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.444 -3.656 -8.678 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.106 -2.278 -7.821 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.620 -1.994 -6.327 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.151 -2.203 -8.013 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.067 -1.142 -6.916 1.00 0.00 H new ATOM 623 N ASP A 46 -9.545 -6.564 -7.301 1.00 0.00 N ATOM 624 CA ASP A 46 -10.488 -7.550 -6.802 1.00 0.00 C ATOM 625 C ASP A 46 -11.642 -6.834 -6.098 1.00 0.00 C ATOM 626 O ASP A 46 -11.654 -5.608 -6.007 1.00 0.00 O ATOM 627 CB ASP A 46 -9.823 -8.485 -5.790 1.00 0.00 C ATOM 628 CG ASP A 46 -8.399 -8.094 -5.387 1.00 0.00 C ATOM 629 OD1 ASP A 46 -7.580 -7.707 -6.233 1.00 0.00 O ATOM 630 OD2 ASP A 46 -8.140 -8.203 -4.128 1.00 0.00 O ATOM 0 H ASP A 46 -8.573 -6.737 -7.046 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.847 -8.134 -7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.441 -8.523 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.803 -9.492 -6.207 1.00 0.00 H new ATOM 636 N ASP A 47 -12.585 -7.632 -5.616 1.00 0.00 N ATOM 637 CA ASP A 47 -13.741 -7.090 -4.923 1.00 0.00 C ATOM 638 C ASP A 47 -13.371 -6.810 -3.465 1.00 0.00 C ATOM 639 O ASP A 47 -14.234 -6.475 -2.655 1.00 0.00 O ATOM 640 CB ASP A 47 -14.905 -8.083 -4.933 1.00 0.00 C ATOM 641 CG ASP A 47 -14.553 -9.496 -4.463 1.00 0.00 C ATOM 642 OD1 ASP A 47 -13.518 -10.059 -4.850 1.00 0.00 O ATOM 643 OD2 ASP A 47 -15.405 -10.029 -3.654 1.00 0.00 O ATOM 0 H ASP A 47 -12.571 -8.649 -5.692 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.043 -6.176 -5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.701 -7.693 -4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.304 -8.142 -5.946 1.00 0.00 H new ATOM 649 N ASN A 48 -12.087 -6.958 -3.175 1.00 0.00 N ATOM 650 CA ASN A 48 -11.592 -6.726 -1.829 1.00 0.00 C ATOM 651 C ASN A 48 -10.924 -5.350 -1.766 1.00 0.00 C ATOM 652 O ASN A 48 -11.022 -4.654 -0.756 1.00 0.00 O ATOM 653 CB ASN A 48 -10.550 -7.775 -1.436 1.00 0.00 C ATOM 654 CG ASN A 48 -11.066 -9.189 -1.710 1.00 0.00 C ATOM 655 OD1 ASN A 48 -12.226 -9.405 -2.020 1.00 0.00 O ATOM 656 ND2 ASN A 48 -10.142 -10.137 -1.581 1.00 0.00 N ATOM 0 H ASN A 48 -11.374 -7.236 -3.850 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.438 -6.784 -1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.629 -7.605 -1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.305 -7.672 -0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.387 -11.114 -1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.188 -9.887 -1.319 1.00 0.00 H new ATOM 663 N HIS A 49 -10.261 -4.999 -2.858 1.00 0.00 N ATOM 664 CA HIS A 49 -9.577 -3.720 -2.939 1.00 0.00 C ATOM 665 C HIS A 49 -10.581 -2.625 -3.306 1.00 0.00 C ATOM 666 O HIS A 49 -10.423 -1.473 -2.904 1.00 0.00 O ATOM 667 CB HIS A 49 -8.399 -3.794 -3.912 1.00 0.00 C ATOM 668 CG HIS A 49 -7.166 -4.447 -3.334 1.00 0.00 C ATOM 669 ND1 HIS A 49 -7.009 -5.820 -3.260 1.00 0.00 N ATOM 670 CD2 HIS A 49 -6.034 -3.901 -2.804 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.832 -6.078 -2.708 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.230 -4.887 -2.426 1.00 0.00 N ATOM 0 H HIS A 49 -10.183 -5.578 -3.694 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.154 -3.467 -1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.708 -4.346 -4.800 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.145 -2.785 -4.237 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.685 -6.516 -3.577 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.827 -2.845 -2.708 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.422 -7.058 -2.515 1.00 0.00 H new ATOM 680 N LYS A 50 -11.590 -3.022 -4.067 1.00 0.00 N ATOM 681 CA LYS A 50 -12.619 -2.089 -4.493 1.00 0.00 C ATOM 682 C LYS A 50 -13.237 -1.421 -3.263 1.00 0.00 C ATOM 683 O LYS A 50 -13.092 -0.224 -3.029 1.00 0.00 O ATOM 684 CB LYS A 50 -13.640 -2.790 -5.391 1.00 0.00 C ATOM 685 CG LYS A 50 -13.146 -2.856 -6.837 1.00 0.00 C ATOM 686 CD LYS A 50 -14.308 -3.095 -7.803 1.00 0.00 C ATOM 687 CE LYS A 50 -14.587 -4.591 -7.965 1.00 0.00 C ATOM 688 NZ LYS A 50 -15.318 -4.848 -9.226 1.00 0.00 N ATOM 0 H LYS A 50 -11.717 -3.978 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.185 -1.296 -5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.824 -3.798 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.590 -2.257 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.640 -1.926 -7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.413 -3.657 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.202 -2.593 -7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.075 -2.658 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.648 -5.144 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.172 -4.952 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.499 -5.868 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.223 -4.335 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.746 -4.522 -10.031 1.00 0.00 H new ATOM 701 N PRO A 51 -13.940 -2.236 -2.473 1.00 0.00 N ATOM 702 CA PRO A 51 -14.607 -1.818 -1.258 1.00 0.00 C ATOM 703 C PRO A 51 -13.840 -0.667 -0.624 1.00 0.00 C ATOM 704 O PRO A 51 -14.470 0.275 -0.146 1.00 0.00 O ATOM 705 CB PRO A 51 -14.589 -3.051 -0.358 1.00 0.00 C ATOM 706 CG PRO A 51 -14.561 -4.228 -1.373 1.00 0.00 C ATOM 707 CD PRO A 51 -14.131 -3.649 -2.719 1.00 0.00 C ATOM 0 HA PRO A 51 -15.623 -1.464 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.716 -3.061 0.295 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.468 -3.094 0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.866 -5.002 -1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.543 -4.694 -1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.212 -4.116 -3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.890 -3.818 -3.482 1.00 0.00 H new ATOM 715 N HIS A 52 -12.518 -0.761 -0.627 1.00 0.00 N ATOM 716 CA HIS A 52 -11.692 0.282 -0.045 1.00 0.00 C ATOM 717 C HIS A 52 -11.486 1.403 -1.066 1.00 0.00 C ATOM 718 O HIS A 52 -11.638 2.580 -0.740 1.00 0.00 O ATOM 719 CB HIS A 52 -10.374 -0.295 0.475 1.00 0.00 C ATOM 720 CG HIS A 52 -10.539 -1.279 1.608 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.160 -2.606 1.509 1.00 0.00 N ATOM 722 CD2 HIS A 52 -11.044 -1.115 2.864 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.431 -3.205 2.659 1.00 0.00 C ATOM 724 NE2 HIS A 52 -10.979 -2.280 3.498 1.00 0.00 N ATOM 0 H HIS A 52 -11.999 -1.544 -1.024 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.199 0.712 0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.855 -0.787 -0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.737 0.524 0.809 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.743 -3.048 0.690 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.431 -0.194 3.274 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.250 -4.244 2.891 1.00 0.00 H new ATOM 732 N ASP A 53 -11.145 0.999 -2.281 1.00 0.00 N ATOM 733 CA ASP A 53 -10.917 1.955 -3.351 1.00 0.00 C ATOM 734 C ASP A 53 -11.641 3.263 -3.024 1.00 0.00 C ATOM 735 O ASP A 53 -12.870 3.313 -3.025 1.00 0.00 O ATOM 736 CB ASP A 53 -11.464 1.432 -4.681 1.00 0.00 C ATOM 737 CG ASP A 53 -11.360 2.412 -5.852 1.00 0.00 C ATOM 738 OD1 ASP A 53 -12.375 2.816 -6.439 1.00 0.00 O ATOM 739 OD2 ASP A 53 -10.159 2.766 -6.162 1.00 0.00 O ATOM 0 H ASP A 53 -11.021 0.022 -2.548 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.842 2.113 -3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.930 0.519 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.511 1.161 -4.545 1.00 0.00 H new ATOM 745 N GLY A 54 -10.847 4.288 -2.751 1.00 0.00 N ATOM 746 CA GLY A 54 -11.397 5.593 -2.423 1.00 0.00 C ATOM 747 C GLY A 54 -11.678 5.707 -0.923 1.00 0.00 C ATOM 748 O GLY A 54 -12.777 6.087 -0.521 1.00 0.00 O ATOM 0 H GLY A 54 -9.828 4.242 -2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.699 6.373 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.318 5.755 -2.983 1.00 0.00 H new ATOM 752 N LEU A 55 -10.666 5.372 -0.136 1.00 0.00 N ATOM 753 CA LEU A 55 -10.791 5.432 1.310 1.00 0.00 C ATOM 754 C LEU A 55 -9.401 5.584 1.931 1.00 0.00 C ATOM 755 O LEU A 55 -9.075 6.635 2.482 1.00 0.00 O ATOM 756 CB LEU A 55 -11.568 4.222 1.832 1.00 0.00 C ATOM 757 CG LEU A 55 -13.089 4.281 1.670 1.00 0.00 C ATOM 758 CD1 LEU A 55 -13.752 3.037 2.264 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.653 5.572 2.266 1.00 0.00 C ATOM 0 H LEU A 55 -9.756 5.058 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.371 6.306 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.202 3.332 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.340 4.098 2.891 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.320 4.290 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.832 3.104 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.381 2.148 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.516 2.971 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.735 5.589 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.412 5.618 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.214 6.430 1.757 1.00 0.00 H new ATOM 771 N LEU A 56 -8.619 4.520 1.823 1.00 0.00 N ATOM 772 CA LEU A 56 -7.272 4.523 2.367 1.00 0.00 C ATOM 773 C LEU A 56 -6.275 4.204 1.251 1.00 0.00 C ATOM 774 O LEU A 56 -6.615 3.520 0.287 1.00 0.00 O ATOM 775 CB LEU A 56 -7.177 3.576 3.566 1.00 0.00 C ATOM 776 CG LEU A 56 -7.114 2.083 3.237 1.00 0.00 C ATOM 777 CD1 LEU A 56 -6.132 1.360 4.161 1.00 0.00 C ATOM 778 CD2 LEU A 56 -8.508 1.454 3.277 1.00 0.00 C ATOM 0 H LEU A 56 -8.893 3.650 1.367 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.017 5.512 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.290 3.839 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.039 3.750 4.211 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.740 1.972 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.106 0.300 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.137 1.787 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.453 1.477 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.435 0.393 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.933 1.575 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.150 1.946 2.547 1.00 0.00 H new ATOM 790 N MET A 57 -5.064 4.715 1.419 1.00 0.00 N ATOM 791 CA MET A 57 -4.016 4.494 0.438 1.00 0.00 C ATOM 792 C MET A 57 -3.448 3.077 0.552 1.00 0.00 C ATOM 793 O MET A 57 -3.741 2.363 1.510 1.00 0.00 O ATOM 794 CB MET A 57 -2.894 5.512 0.651 1.00 0.00 C ATOM 795 CG MET A 57 -3.029 6.688 -0.319 1.00 0.00 C ATOM 796 SD MET A 57 -3.793 8.074 0.506 1.00 0.00 S ATOM 797 CE MET A 57 -4.875 8.650 -0.793 1.00 0.00 C ATOM 0 H MET A 57 -4.786 5.282 2.220 1.00 0.00 H new ATOM 0 HA MET A 57 -4.444 4.615 -0.557 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.920 5.878 1.677 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.928 5.028 0.509 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.047 6.974 -0.695 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.627 6.392 -1.181 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.029 9.724 -0.689 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.423 8.441 -1.763 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.834 8.137 -0.722 1.00 0.00 H new ATOM 807 N CYS A 58 -2.647 2.714 -0.439 1.00 0.00 N ATOM 808 CA CYS A 58 -2.036 1.396 -0.461 1.00 0.00 C ATOM 809 C CYS A 58 -1.184 1.239 0.800 1.00 0.00 C ATOM 810 O CYS A 58 -1.512 0.444 1.680 1.00 0.00 O ATOM 811 CB CYS A 58 -1.217 1.174 -1.734 1.00 0.00 C ATOM 812 SG CYS A 58 -2.020 1.750 -3.274 1.00 0.00 S ATOM 0 H CYS A 58 -2.407 3.309 -1.232 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.814 0.632 -0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.260 1.685 -1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.001 0.110 -1.829 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.343 1.329 -4.300 1.00 0.00 H new ATOM 817 N ALA A 59 -0.108 2.010 0.848 1.00 0.00 N ATOM 818 CA ALA A 59 0.793 1.967 1.987 1.00 0.00 C ATOM 819 C ALA A 59 -0.024 1.825 3.273 1.00 0.00 C ATOM 820 O ALA A 59 0.223 0.925 4.074 1.00 0.00 O ATOM 821 CB ALA A 59 1.673 3.218 1.990 1.00 0.00 C ATOM 0 H ALA A 59 0.160 2.668 0.116 1.00 0.00 H new ATOM 0 HA ALA A 59 1.455 1.104 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.349 3.185 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.254 3.256 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.044 4.105 2.059 1.00 0.00 H new ATOM 827 N ASP A 60 -0.981 2.728 3.431 1.00 0.00 N ATOM 828 CA ASP A 60 -1.836 2.716 4.606 1.00 0.00 C ATOM 829 C ASP A 60 -2.118 1.267 5.010 1.00 0.00 C ATOM 830 O ASP A 60 -2.277 0.969 6.193 1.00 0.00 O ATOM 831 CB ASP A 60 -3.176 3.396 4.319 1.00 0.00 C ATOM 832 CG ASP A 60 -3.075 4.836 3.812 1.00 0.00 C ATOM 833 OD1 ASP A 60 -1.973 5.357 3.586 1.00 0.00 O ATOM 834 OD2 ASP A 60 -4.205 5.437 3.649 1.00 0.00 O ATOM 0 H ASP A 60 -1.183 3.473 2.764 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.322 3.254 5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.716 2.804 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.773 3.389 5.231 1.00 0.00 H new ATOM 840 N CYS A 61 -2.171 0.405 4.005 1.00 0.00 N ATOM 841 CA CYS A 61 -2.431 -1.005 4.242 1.00 0.00 C ATOM 842 C CYS A 61 -1.123 -1.774 4.042 1.00 0.00 C ATOM 843 O CYS A 61 -0.671 -2.481 4.942 1.00 0.00 O ATOM 844 CB CYS A 61 -3.547 -1.533 3.340 1.00 0.00 C ATOM 845 SG CYS A 61 -5.068 -1.808 4.321 1.00 0.00 S ATOM 0 H CYS A 61 -2.038 0.656 3.025 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.782 -1.147 5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.745 -0.821 2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.235 -2.465 2.869 1.00 0.00 H new ATOM 0 HG CYS A 61 -6.010 -2.254 3.545 1.00 0.00 H new ATOM 850 N HIS A 62 -0.553 -1.611 2.858 1.00 0.00 N ATOM 851 CA HIS A 62 0.694 -2.281 2.528 1.00 0.00 C ATOM 852 C HIS A 62 1.871 -1.481 3.089 1.00 0.00 C ATOM 853 O HIS A 62 2.772 -1.094 2.347 1.00 0.00 O ATOM 854 CB HIS A 62 0.802 -2.517 1.020 1.00 0.00 C ATOM 855 CG HIS A 62 -0.241 -3.460 0.470 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.333 -4.786 0.858 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.236 -3.256 -0.441 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.340 -5.345 0.203 1.00 0.00 C ATOM 859 NE2 HIS A 62 -1.898 -4.395 -0.602 1.00 0.00 N ATOM 0 H HIS A 62 -0.931 -1.024 2.114 1.00 0.00 H new ATOM 0 HA HIS A 62 0.715 -3.266 2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.719 -1.560 0.506 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.792 -2.915 0.795 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.449 -2.325 -0.946 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.662 -6.372 0.291 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.693 -4.537 -1.225 1.00 0.00 H new ATOM 867 N ALA A 63 1.824 -1.257 4.394 1.00 0.00 N ATOM 868 CA ALA A 63 2.875 -0.510 5.063 1.00 0.00 C ATOM 869 C ALA A 63 4.229 -0.892 4.461 1.00 0.00 C ATOM 870 O ALA A 63 4.844 -1.893 4.821 1.00 0.00 O ATOM 871 CB ALA A 63 2.811 -0.774 6.569 1.00 0.00 C ATOM 0 H ALA A 63 1.074 -1.580 5.006 1.00 0.00 H new ATOM 0 HA ALA A 63 2.738 0.561 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.600 -0.213 7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.841 -0.458 6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.947 -1.839 6.758 1.00 0.00 H new ATOM 877 N PRO A 64 4.685 -0.059 3.523 1.00 0.00 N ATOM 878 CA PRO A 64 5.941 -0.227 2.823 1.00 0.00 C ATOM 879 C PRO A 64 7.095 -0.090 3.806 1.00 0.00 C ATOM 880 O PRO A 64 7.892 -1.020 3.919 1.00 0.00 O ATOM 881 CB PRO A 64 5.966 0.897 1.789 1.00 0.00 C ATOM 882 CG PRO A 64 4.478 1.358 1.647 1.00 0.00 C ATOM 883 CD PRO A 64 3.988 1.127 3.075 1.00 0.00 C ATOM 0 HA PRO A 64 6.038 -1.206 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.603 1.719 2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.362 0.546 0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.393 2.401 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.927 0.766 0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.213 1.982 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.908 0.984 3.103 1.00 0.00 H new ATOM 891 N HIS A 65 7.164 1.045 4.486 1.00 0.00 N ATOM 892 CA HIS A 65 8.228 1.277 5.448 1.00 0.00 C ATOM 893 C HIS A 65 7.879 0.595 6.773 1.00 0.00 C ATOM 894 O HIS A 65 7.810 1.250 7.812 1.00 0.00 O ATOM 895 CB HIS A 65 8.502 2.774 5.606 1.00 0.00 C ATOM 896 CG HIS A 65 9.173 3.405 4.409 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.365 2.935 3.885 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.807 4.471 3.641 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.692 3.693 2.848 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.726 4.644 2.700 1.00 0.00 N ATOM 0 H HIS A 65 6.501 1.814 4.390 1.00 0.00 H new ATOM 0 HA HIS A 65 9.155 0.834 5.084 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.559 3.288 5.794 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.129 2.928 6.484 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.900 2.141 4.237 1.00 0.00 H new ATOM 0 HD2 HIS A 65 7.920 5.072 3.776 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.569 3.578 2.229 1.00 0.00 H new ATOM 908 N GLU A 66 7.669 -0.710 6.693 1.00 0.00 N ATOM 909 CA GLU A 66 7.330 -1.488 7.872 1.00 0.00 C ATOM 910 C GLU A 66 7.046 -2.941 7.487 1.00 0.00 C ATOM 911 O GLU A 66 7.729 -3.854 7.949 1.00 0.00 O ATOM 912 CB GLU A 66 6.137 -0.873 8.609 1.00 0.00 C ATOM 913 CG GLU A 66 6.376 -0.857 10.120 1.00 0.00 C ATOM 914 CD GLU A 66 5.473 0.170 10.807 1.00 0.00 C ATOM 915 OE1 GLU A 66 5.973 1.085 11.477 1.00 0.00 O ATOM 916 OE2 GLU A 66 4.208 -0.008 10.624 1.00 0.00 O ATOM 0 H GLU A 66 7.727 -1.249 5.829 1.00 0.00 H new ATOM 0 HA GLU A 66 8.183 -1.473 8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.969 0.143 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.234 -1.442 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.185 -1.848 10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.421 -0.622 10.324 1.00 0.00 H new ATOM 924 N ALA A 67 6.038 -3.110 6.644 1.00 0.00 N ATOM 925 CA ALA A 67 5.656 -4.437 6.191 1.00 0.00 C ATOM 926 C ALA A 67 6.775 -5.017 5.325 1.00 0.00 C ATOM 927 O ALA A 67 7.614 -4.279 4.810 1.00 0.00 O ATOM 928 CB ALA A 67 4.323 -4.358 5.445 1.00 0.00 C ATOM 0 H ALA A 67 5.474 -2.350 6.263 1.00 0.00 H new ATOM 0 HA ALA A 67 5.515 -5.106 7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.037 -5.353 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.555 -3.968 6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.426 -3.697 4.585 1.00 0.00 H new ATOM 934 N LYS A 68 6.753 -6.335 5.189 1.00 0.00 N ATOM 935 CA LYS A 68 7.755 -7.023 4.394 1.00 0.00 C ATOM 936 C LYS A 68 7.060 -7.892 3.344 1.00 0.00 C ATOM 937 O LYS A 68 6.117 -8.617 3.659 1.00 0.00 O ATOM 938 CB LYS A 68 8.715 -7.801 5.297 1.00 0.00 C ATOM 939 CG LYS A 68 9.198 -6.932 6.461 1.00 0.00 C ATOM 940 CD LYS A 68 9.100 -7.689 7.787 1.00 0.00 C ATOM 941 CE LYS A 68 8.509 -6.800 8.883 1.00 0.00 C ATOM 942 NZ LYS A 68 7.051 -7.022 9.000 1.00 0.00 N ATOM 0 H LYS A 68 6.056 -6.945 5.617 1.00 0.00 H new ATOM 0 HA LYS A 68 8.372 -6.304 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.216 -8.690 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.570 -8.144 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.230 -6.626 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.600 -6.022 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.479 -8.576 7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.090 -8.033 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.993 -7.016 9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.706 -5.752 8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.666 -6.411 9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.591 -6.794 8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.870 -8.018 9.239 1.00 0.00 H new ATOM 955 N VAL A 69 7.551 -7.789 2.118 1.00 0.00 N ATOM 956 CA VAL A 69 6.988 -8.556 1.020 1.00 0.00 C ATOM 957 C VAL A 69 6.542 -9.926 1.536 1.00 0.00 C ATOM 958 O VAL A 69 7.341 -10.670 2.102 1.00 0.00 O ATOM 959 CB VAL A 69 7.998 -8.649 -0.126 1.00 0.00 C ATOM 960 CG1 VAL A 69 7.785 -9.925 -0.943 1.00 0.00 C ATOM 961 CG2 VAL A 69 7.931 -7.408 -1.018 1.00 0.00 C ATOM 0 H VAL A 69 8.332 -7.186 1.861 1.00 0.00 H new ATOM 0 HA VAL A 69 6.106 -8.057 0.619 1.00 0.00 H new ATOM 0 HB VAL A 69 8.996 -8.694 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.516 -9.966 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.908 -10.795 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.779 -9.924 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.659 -7.500 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.930 -7.317 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.156 -6.521 -0.425 1.00 0.00 H new ATOM 971 N GLY A 70 5.268 -10.217 1.322 1.00 0.00 N ATOM 972 CA GLY A 70 4.706 -11.484 1.758 1.00 0.00 C ATOM 973 C GLY A 70 3.814 -11.295 2.987 1.00 0.00 C ATOM 974 O GLY A 70 3.058 -12.192 3.354 1.00 0.00 O ATOM 0 H GLY A 70 4.608 -9.597 0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.126 -11.926 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.510 -12.181 1.992 1.00 0.00 H new ATOM 978 N GLU A 71 3.932 -10.120 3.588 1.00 0.00 N ATOM 979 CA GLU A 71 3.146 -9.801 4.767 1.00 0.00 C ATOM 980 C GLU A 71 1.676 -9.608 4.389 1.00 0.00 C ATOM 981 O GLU A 71 1.368 -8.961 3.389 1.00 0.00 O ATOM 982 CB GLU A 71 3.697 -8.561 5.475 1.00 0.00 C ATOM 983 CG GLU A 71 4.502 -8.951 6.716 1.00 0.00 C ATOM 984 CD GLU A 71 3.728 -8.630 7.996 1.00 0.00 C ATOM 985 OE1 GLU A 71 3.030 -7.606 8.058 1.00 0.00 O ATOM 986 OE2 GLU A 71 3.870 -9.487 8.949 1.00 0.00 O ATOM 0 H GLU A 71 4.560 -9.378 3.280 1.00 0.00 H new ATOM 0 HA GLU A 71 3.216 -10.637 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.329 -7.997 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.874 -7.906 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.733 -10.016 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.453 -8.419 6.719 1.00 0.00 H new ATOM 994 N LYS A 72 0.807 -10.182 5.209 1.00 0.00 N ATOM 995 CA LYS A 72 -0.623 -10.081 4.973 1.00 0.00 C ATOM 996 C LYS A 72 -1.255 -9.205 6.056 1.00 0.00 C ATOM 997 O LYS A 72 -1.495 -9.632 7.183 1.00 0.00 O ATOM 998 CB LYS A 72 -1.248 -11.473 4.866 1.00 0.00 C ATOM 999 CG LYS A 72 -1.018 -12.073 3.478 1.00 0.00 C ATOM 1000 CD LYS A 72 -2.346 -12.430 2.807 1.00 0.00 C ATOM 1001 CE LYS A 72 -2.518 -13.946 2.703 1.00 0.00 C ATOM 1002 NZ LYS A 72 -2.198 -14.411 1.334 1.00 0.00 N ATOM 0 H LYS A 72 1.066 -10.718 6.037 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.817 -9.595 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.819 -12.127 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.318 -11.412 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.472 -11.363 2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.398 -12.965 3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.172 -12.005 3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.385 -11.987 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.868 -14.442 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.542 -14.220 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.320 -15.442 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.836 -13.951 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.213 -14.166 1.106 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.520 -7.950 5.684 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.117 -6.953 6.546 1.00 0.00 C ATOM 1017 C PRO A 73 -3.252 -7.580 7.343 1.00 0.00 C ATOM 1018 O PRO A 73 -3.852 -8.542 6.866 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.643 -5.879 5.596 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.542 -5.920 4.483 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.250 -7.414 4.368 1.00 0.00 C ATOM 0 HA PRO A 73 -1.413 -6.539 7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.634 -6.117 5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.714 -4.902 6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.900 -5.502 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.655 -5.353 4.767 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.882 -7.883 3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.216 -7.593 4.074 1.00 0.00 H new ATOM 1029 N THR A 74 -3.521 -7.037 8.521 1.00 0.00 N ATOM 1030 CA THR A 74 -4.585 -7.561 9.361 1.00 0.00 C ATOM 1031 C THR A 74 -5.756 -6.578 9.415 1.00 0.00 C ATOM 1032 O THR A 74 -5.562 -5.388 9.658 1.00 0.00 O ATOM 1033 CB THR A 74 -3.990 -7.873 10.736 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.399 -6.643 11.146 1.00 0.00 O ATOM 1035 CG2 THR A 74 -2.811 -8.845 10.658 1.00 0.00 C ATOM 0 H THR A 74 -3.021 -6.240 8.914 1.00 0.00 H new ATOM 0 HA THR A 74 -4.995 -8.484 8.950 1.00 0.00 H new ATOM 0 HB THR A 74 -4.764 -8.293 11.379 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.630 -6.827 11.725 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.427 -9.032 11.661 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.143 -9.784 10.215 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.023 -8.412 10.042 1.00 0.00 H new ATOM 1043 N CYS A 75 -6.946 -7.113 9.183 1.00 0.00 N ATOM 1044 CA CYS A 75 -8.149 -6.298 9.201 1.00 0.00 C ATOM 1045 C CYS A 75 -8.374 -5.805 10.632 1.00 0.00 C ATOM 1046 O CYS A 75 -8.902 -4.714 10.842 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.360 -7.064 8.665 1.00 0.00 C ATOM 1048 SG CYS A 75 -8.984 -8.250 7.323 1.00 0.00 S ATOM 0 H CYS A 75 -7.103 -8.101 8.982 1.00 0.00 H new ATOM 0 HA CYS A 75 -8.021 -5.442 8.538 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.824 -7.605 9.490 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -10.095 -6.346 8.301 1.00 0.00 H new ATOM 0 HG CYS A 75 -10.079 -8.842 6.948 1.00 0.00 H new ATOM 1053 N ASP A 76 -7.961 -6.633 11.581 1.00 0.00 N ATOM 1054 CA ASP A 76 -8.111 -6.296 12.986 1.00 0.00 C ATOM 1055 C ASP A 76 -7.370 -4.988 13.274 1.00 0.00 C ATOM 1056 O ASP A 76 -7.585 -4.364 14.312 1.00 0.00 O ATOM 1057 CB ASP A 76 -7.514 -7.384 13.881 1.00 0.00 C ATOM 1058 CG ASP A 76 -7.952 -7.330 15.345 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -8.321 -8.353 15.940 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -7.903 -6.159 15.886 1.00 0.00 O ATOM 0 H ASP A 76 -7.522 -7.537 11.404 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.176 -6.200 13.197 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.784 -8.358 13.473 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.427 -7.311 13.840 1.00 0.00 H new ATOM 1066 N THR A 77 -6.512 -4.613 12.336 1.00 0.00 N ATOM 1067 CA THR A 77 -5.738 -3.391 12.476 1.00 0.00 C ATOM 1068 C THR A 77 -6.502 -2.205 11.884 1.00 0.00 C ATOM 1069 O THR A 77 -5.897 -1.224 11.454 1.00 0.00 O ATOM 1070 CB THR A 77 -4.372 -3.620 11.827 1.00 0.00 C ATOM 1071 OG1 THR A 77 -3.835 -4.736 12.531 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.387 -2.486 12.119 1.00 0.00 C ATOM 0 H THR A 77 -6.336 -5.134 11.477 1.00 0.00 H new ATOM 0 HA THR A 77 -5.577 -3.142 13.525 1.00 0.00 H new ATOM 0 HB THR A 77 -4.496 -3.724 10.749 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.907 -5.539 11.974 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.434 -2.699 11.635 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.788 -1.548 11.735 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.237 -2.403 13.195 1.00 0.00 H new ATOM 1080 N CYS A 78 -7.821 -2.334 11.880 1.00 0.00 N ATOM 1081 CA CYS A 78 -8.674 -1.285 11.347 1.00 0.00 C ATOM 1082 C CYS A 78 -10.127 -1.636 11.674 1.00 0.00 C ATOM 1083 O CYS A 78 -10.875 -0.795 12.171 1.00 0.00 O ATOM 1084 CB CYS A 78 -8.458 -1.089 9.845 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.439 0.402 9.550 1.00 0.00 S ATOM 0 H CYS A 78 -8.320 -3.149 12.237 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.418 -0.333 11.811 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -7.966 -1.965 9.422 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.419 -0.989 9.341 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.346 0.326 10.250 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.483 -2.878 11.381 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.833 -3.350 11.637 1.00 0.00 C ATOM 1092 C HIS A 79 -11.889 -4.026 13.008 1.00 0.00 C ATOM 1093 O HIS A 79 -10.854 -4.363 13.581 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.314 -4.261 10.506 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.441 -3.568 9.171 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -13.387 -2.589 8.922 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -11.733 -3.723 8.015 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -13.245 -2.180 7.669 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.220 -2.884 7.109 1.00 0.00 N ATOM 0 H HIS A 79 -9.860 -3.572 10.969 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.520 -2.504 11.660 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.620 -5.096 10.406 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.282 -4.682 10.779 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.915 -4.412 7.863 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.837 -1.422 7.178 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.883 -2.783 6.152 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.465 -9.308 10.646 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.082 -9.158 9.252 1.00 0.00 C ATOM 1142 C ARG A 83 -11.903 -10.077 8.924 1.00 0.00 C ATOM 1143 O ARG A 83 -10.878 -10.043 9.603 1.00 0.00 O ATOM 1144 CB ARG A 83 -12.694 -7.712 8.940 1.00 0.00 C ATOM 1145 CG ARG A 83 -13.614 -7.116 7.873 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.083 -7.390 8.200 1.00 0.00 C ATOM 1147 NE ARG A 83 -15.825 -6.113 8.305 1.00 0.00 N ATOM 1148 CZ ARG A 83 -16.185 -5.358 7.245 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -15.874 -5.746 5.990 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -16.846 -4.235 7.455 1.00 0.00 N ATOM 0 HA ARG A 83 -13.942 -9.431 8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.749 -7.113 9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.660 -7.675 8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.448 -6.041 7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.369 -7.540 6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.526 -8.015 7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.159 -7.942 9.137 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.080 -5.783 9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.363 -6.616 5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.150 -5.170 5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.077 -3.950 8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.126 -3.653 6.666 1.00 0.00 H new ATOM 1160 N THR A 84 -12.089 -10.876 7.884 1.00 0.00 N ATOM 1161 CA THR A 84 -11.054 -11.803 7.458 1.00 0.00 C ATOM 1162 C THR A 84 -10.705 -11.572 5.986 1.00 0.00 C ATOM 1163 O THR A 84 -11.514 -11.039 5.229 1.00 0.00 O ATOM 1164 CB THR A 84 -11.540 -13.223 7.752 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.889 -13.230 7.295 1.00 0.00 O ATOM 1166 CG2 THR A 84 -11.653 -13.504 9.252 1.00 0.00 C ATOM 0 H THR A 84 -12.941 -10.901 7.324 1.00 0.00 H new ATOM 0 HA THR A 84 -10.127 -11.642 8.009 1.00 0.00 H new ATOM 0 HB THR A 84 -10.857 -13.941 7.298 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.281 -14.115 7.446 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.002 -14.525 9.406 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.676 -13.380 9.720 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.361 -12.807 9.700 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.499 -11.986 5.625 1.00 0.00 N ATOM 1175 CA ALA A 85 -9.034 -11.832 4.257 1.00 0.00 C ATOM 1176 C ALA A 85 -9.692 -12.895 3.376 1.00 0.00 C ATOM 1177 O ALA A 85 -9.877 -14.033 3.804 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.506 -11.912 4.226 1.00 0.00 C ATOM 0 H ALA A 85 -8.830 -12.428 6.256 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.318 -10.856 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.156 -11.797 3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.087 -11.117 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.184 -12.879 4.612 1.00 0.00 H new ATOM 1184 N LYS A 86 -10.027 -12.486 2.161 1.00 0.00 N ATOM 1185 CA LYS A 86 -10.661 -13.390 1.216 1.00 0.00 C ATOM 1186 C LYS A 86 -9.605 -13.937 0.254 1.00 0.00 C ATOM 1187 O LYS A 86 -9.802 -14.985 -0.360 1.00 0.00 O ATOM 1188 CB LYS A 86 -11.831 -12.697 0.515 1.00 0.00 C ATOM 1189 CG LYS A 86 -13.070 -13.594 0.500 1.00 0.00 C ATOM 1190 CD LYS A 86 -13.972 -13.265 -0.692 1.00 0.00 C ATOM 1191 CE LYS A 86 -15.325 -12.728 -0.224 1.00 0.00 C ATOM 1192 NZ LYS A 86 -16.236 -13.844 0.116 1.00 0.00 N ATOM 0 H LYS A 86 -9.871 -11.541 1.809 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.092 -14.245 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.061 -11.761 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.549 -12.443 -0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.766 -14.640 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.627 -13.466 1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.484 -12.527 -1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.121 -14.159 -1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.187 -12.086 0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.770 -12.113 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.150 -13.462 0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.382 -14.441 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.817 -14.414 0.878 1.00 0.00 H new