USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 651 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 46 GLN : amide:sc= -2.47 X(o=-6.2,f=-6.3) USER MOD Set 1.2: A 87 ASN : amide:sc= -1.23 K(o=-6.2,f=-7.7!) USER MOD Set 1.3: A 89 ASN : amide:sc= -0.614 K(o=-6.2,f=-7.8) USER MOD Set 1.4: A 90 THR OG1 : rot 170:sc= -1.91 USER MOD Set 2.1: A 83 SER OG : rot 180:sc= 0.68 USER MOD Set 2.2: A 85 THR OG1 : rot 66:sc= 0.722 USER MOD Set 2.3: A 86 THR OG1 : rot 160:sc= -0.0792 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 73:sc= 0.402 USER MOD Single : A 9 SER OG : rot 90:sc= 1.06 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 17 TYR OH : rot 171:sc= -0.868 USER MOD Single : A 19 THR OG1 : rot -85:sc= 0.803 USER MOD Single : A 25 SER OG : rot 172:sc= 0.0529 USER MOD Single : A 27 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.78) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.7) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.113 (180deg=-0.435) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.639 K(o=-0.64,f=-4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.557 K(o=-0.56,f=-2.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.25) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.684 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00988 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.263 -0.633 0.592 1.00 0.00 N ATOM 2 CA ALA A 1 2.515 -0.332 -0.812 1.00 0.00 C ATOM 3 C ALA A 1 3.124 1.056 -0.975 1.00 0.00 C ATOM 4 O ALA A 1 2.406 2.048 -1.100 1.00 0.00 O ATOM 5 CB ALA A 1 1.227 -0.443 -1.615 1.00 0.00 C ATOM 0 H1 ALA A 1 1.849 -1.583 0.674 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.158 -0.599 1.120 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.602 0.068 0.984 1.00 0.00 H new ATOM 0 HA ALA A 1 3.231 -1.061 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.430 -0.216 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.834 -1.456 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.494 0.263 -1.226 1.00 0.00 H new ATOM 11 N ILE A 2 4.451 1.118 -0.973 1.00 0.00 N ATOM 12 CA ILE A 2 5.157 2.385 -1.121 1.00 0.00 C ATOM 13 C ILE A 2 5.109 2.876 -2.564 1.00 0.00 C ATOM 14 O ILE A 2 5.512 2.166 -3.486 1.00 0.00 O ATOM 15 CB ILE A 2 6.627 2.266 -0.680 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.709 1.894 0.802 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.367 3.568 -0.946 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.630 0.405 1.056 1.00 0.00 C ATOM 0 H ILE A 2 5.059 0.306 -0.871 1.00 0.00 H new ATOM 0 HA ILE A 2 4.651 3.105 -0.478 1.00 0.00 H new ATOM 0 HB ILE A 2 7.102 1.475 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.644 2.275 1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.899 2.389 1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.405 3.468 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.333 3.794 -2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.894 4.376 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.694 0.215 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.684 0.021 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.455 -0.095 0.548 1.00 0.00 H new ATOM 30 N SER A 3 4.614 4.095 -2.753 1.00 0.00 N ATOM 31 CA SER A 3 4.512 4.681 -4.084 1.00 0.00 C ATOM 32 C SER A 3 5.724 5.556 -4.388 1.00 0.00 C ATOM 33 O SER A 3 6.604 5.172 -5.159 1.00 0.00 O ATOM 34 CB SER A 3 3.229 5.506 -4.204 1.00 0.00 C ATOM 35 OG SER A 3 3.249 6.313 -5.369 1.00 0.00 O ATOM 0 H SER A 3 4.277 4.696 -2.001 1.00 0.00 H new ATOM 0 HA SER A 3 4.482 3.869 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.366 4.840 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.115 6.137 -3.323 1.00 0.00 H new ATOM 0 HG SER A 3 2.418 6.829 -5.424 1.00 0.00 H new ATOM 41 N CYS A 4 5.763 6.735 -3.776 1.00 0.00 N ATOM 42 CA CYS A 4 6.865 7.666 -3.979 1.00 0.00 C ATOM 43 C CYS A 4 6.717 8.889 -3.079 1.00 0.00 C ATOM 44 O CYS A 4 7.695 9.385 -2.520 1.00 0.00 O ATOM 45 CB CYS A 4 6.928 8.103 -5.444 1.00 0.00 C ATOM 46 SG CYS A 4 8.619 8.225 -6.111 1.00 0.00 S ATOM 0 H CYS A 4 5.043 7.068 -3.135 1.00 0.00 H new ATOM 0 HA CYS A 4 7.792 7.155 -3.719 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.361 7.395 -6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.438 9.072 -5.545 1.00 0.00 H new ATOM 51 N GLY A 5 5.485 9.371 -2.942 1.00 0.00 N ATOM 52 CA GLY A 5 5.231 10.532 -2.109 1.00 0.00 C ATOM 53 C GLY A 5 5.735 10.349 -0.691 1.00 0.00 C ATOM 54 O GLY A 5 6.015 11.324 0.005 1.00 0.00 O ATOM 0 H GLY A 5 4.659 8.978 -3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.710 11.405 -2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.160 10.733 -2.088 1.00 0.00 H new ATOM 58 N ALA A 6 5.850 9.097 -0.262 1.00 0.00 N ATOM 59 CA ALA A 6 6.325 8.790 1.081 1.00 0.00 C ATOM 60 C ALA A 6 7.848 8.813 1.144 1.00 0.00 C ATOM 61 O ALA A 6 8.432 9.211 2.152 1.00 0.00 O ATOM 62 CB ALA A 6 5.797 7.436 1.531 1.00 0.00 C ATOM 0 H ALA A 6 5.621 8.278 -0.825 1.00 0.00 H new ATOM 0 HA ALA A 6 5.948 9.558 1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.160 7.220 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.707 7.453 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.145 6.664 0.845 1.00 0.00 H new ATOM 68 N VAL A 7 8.487 8.383 0.061 1.00 0.00 N ATOM 69 CA VAL A 7 9.944 8.355 -0.007 1.00 0.00 C ATOM 70 C VAL A 7 10.512 9.757 -0.196 1.00 0.00 C ATOM 71 O VAL A 7 11.480 10.141 0.461 1.00 0.00 O ATOM 72 CB VAL A 7 10.435 7.455 -1.156 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.937 7.239 -1.061 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.695 6.126 -1.145 1.00 0.00 C ATOM 0 H VAL A 7 8.019 8.049 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 7 10.297 7.947 0.940 1.00 0.00 H new ATOM 0 HB VAL A 7 10.223 7.955 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.265 6.601 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.447 8.200 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.176 6.761 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.055 5.503 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.873 5.618 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.626 6.304 -1.266 1.00 0.00 H new ATOM 84 N THR A 8 9.904 10.520 -1.099 1.00 0.00 N ATOM 85 CA THR A 8 10.349 11.880 -1.376 1.00 0.00 C ATOM 86 C THR A 8 10.099 12.794 -0.182 1.00 0.00 C ATOM 87 O THR A 8 10.809 13.779 0.017 1.00 0.00 O ATOM 88 CB THR A 8 9.639 12.463 -2.612 1.00 0.00 C ATOM 89 OG1 THR A 8 9.438 11.437 -3.591 1.00 0.00 O ATOM 90 CG2 THR A 8 10.451 13.597 -3.218 1.00 0.00 C ATOM 0 H THR A 8 9.101 10.219 -1.651 1.00 0.00 H new ATOM 0 HA THR A 8 11.420 11.828 -1.573 1.00 0.00 H new ATOM 0 HB THR A 8 8.673 12.858 -2.296 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.730 10.831 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.929 13.993 -4.089 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.577 14.389 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.429 13.223 -3.520 1.00 0.00 H new ATOM 98 N SER A 9 9.086 12.460 0.611 1.00 0.00 N ATOM 99 CA SER A 9 8.740 13.254 1.785 1.00 0.00 C ATOM 100 C SER A 9 9.908 13.310 2.765 1.00 0.00 C ATOM 101 O SER A 9 10.284 14.382 3.239 1.00 0.00 O ATOM 102 CB SER A 9 7.506 12.670 2.476 1.00 0.00 C ATOM 103 OG SER A 9 6.316 13.240 1.960 1.00 0.00 O ATOM 0 H SER A 9 8.490 11.645 0.462 1.00 0.00 H new ATOM 0 HA SER A 9 8.516 14.268 1.455 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.485 11.589 2.338 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.565 12.853 3.549 1.00 0.00 H new ATOM 0 HG SER A 9 5.996 12.702 1.206 1.00 0.00 H new ATOM 109 N ASP A 10 10.476 12.147 3.065 1.00 0.00 N ATOM 110 CA ASP A 10 11.602 12.062 3.988 1.00 0.00 C ATOM 111 C ASP A 10 12.889 12.539 3.322 1.00 0.00 C ATOM 112 O ASP A 10 13.836 12.945 3.996 1.00 0.00 O ATOM 113 CB ASP A 10 11.773 10.626 4.487 1.00 0.00 C ATOM 114 CG ASP A 10 10.451 9.894 4.608 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.466 10.518 5.056 1.00 0.00 O ATOM 116 OD2 ASP A 10 10.401 8.697 4.256 1.00 0.00 O ATOM 0 H ASP A 10 10.175 11.250 2.683 1.00 0.00 H new ATOM 0 HA ASP A 10 11.392 12.711 4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.425 10.082 3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.268 10.638 5.458 1.00 0.00 H new ATOM 121 N LEU A 11 12.916 12.486 1.995 1.00 0.00 N ATOM 122 CA LEU A 11 14.087 12.911 1.236 1.00 0.00 C ATOM 123 C LEU A 11 14.271 14.423 1.320 1.00 0.00 C ATOM 124 O LEU A 11 15.394 14.925 1.287 1.00 0.00 O ATOM 125 CB LEU A 11 13.956 12.482 -0.226 1.00 0.00 C ATOM 126 CG LEU A 11 14.370 11.045 -0.543 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.646 10.542 -1.783 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.877 10.952 -0.729 1.00 0.00 C ATOM 0 H LEU A 11 12.140 12.153 1.422 1.00 0.00 H new ATOM 0 HA LEU A 11 14.964 12.432 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.918 12.616 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.557 13.155 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 11 14.089 10.413 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.953 9.518 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.570 10.570 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.896 11.177 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.153 9.922 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.182 11.598 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.377 11.270 0.186 1.00 0.00 H new ATOM 140 N SER A 12 13.159 15.144 1.431 1.00 0.00 N ATOM 141 CA SER A 12 13.197 16.599 1.518 1.00 0.00 C ATOM 142 C SER A 12 14.062 17.051 2.690 1.00 0.00 C ATOM 143 O SER A 12 15.041 17.778 2.528 1.00 0.00 O ATOM 144 CB SER A 12 11.781 17.159 1.668 1.00 0.00 C ATOM 145 OG SER A 12 11.206 17.440 0.404 1.00 0.00 O ATOM 0 H SER A 12 12.221 14.744 1.463 1.00 0.00 H new ATOM 0 HA SER A 12 13.636 16.982 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.158 16.442 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.808 18.068 2.269 1.00 0.00 H new ATOM 0 HG SER A 12 10.301 17.795 0.528 1.00 0.00 H new ATOM 151 N PRO A 13 13.692 16.610 3.902 1.00 0.00 N ATOM 152 CA PRO A 13 14.420 16.955 5.126 1.00 0.00 C ATOM 153 C PRO A 13 15.790 16.289 5.194 1.00 0.00 C ATOM 154 O PRO A 13 16.686 16.758 5.897 1.00 0.00 O ATOM 155 CB PRO A 13 13.512 16.427 6.240 1.00 0.00 C ATOM 156 CG PRO A 13 12.731 15.330 5.603 1.00 0.00 C ATOM 157 CD PRO A 13 12.534 15.740 4.170 1.00 0.00 C ATOM 0 HA PRO A 13 14.621 18.024 5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.094 16.059 7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.857 17.210 6.621 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.265 14.382 5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.773 15.191 6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.517 14.877 3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.592 16.270 4.030 1.00 0.00 H new ATOM 165 N CYS A 14 15.946 15.193 4.459 1.00 0.00 N ATOM 166 CA CYS A 14 17.207 14.461 4.435 1.00 0.00 C ATOM 167 C CYS A 14 18.189 15.101 3.457 1.00 0.00 C ATOM 168 O CYS A 14 19.403 14.938 3.584 1.00 0.00 O ATOM 169 CB CYS A 14 16.965 13.000 4.049 1.00 0.00 C ATOM 170 SG CYS A 14 16.341 11.965 5.412 1.00 0.00 S ATOM 0 H CYS A 14 15.215 14.792 3.872 1.00 0.00 H new ATOM 0 HA CYS A 14 17.640 14.499 5.435 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.252 12.966 3.225 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.898 12.573 3.681 1.00 0.00 H new ATOM 175 N LEU A 15 17.655 15.829 2.483 1.00 0.00 N ATOM 176 CA LEU A 15 18.483 16.495 1.483 1.00 0.00 C ATOM 177 C LEU A 15 19.579 17.322 2.147 1.00 0.00 C ATOM 178 O LEU A 15 20.760 17.179 1.828 1.00 0.00 O ATOM 179 CB LEU A 15 17.620 17.391 0.592 1.00 0.00 C ATOM 180 CG LEU A 15 17.078 16.746 -0.683 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.214 17.733 -1.454 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.220 16.241 -1.553 1.00 0.00 C ATOM 0 H LEU A 15 16.652 15.973 2.364 1.00 0.00 H new ATOM 0 HA LEU A 15 18.954 15.728 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.776 17.750 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.208 18.265 0.312 1.00 0.00 H new ATOM 0 HG LEU A 15 16.459 15.894 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.837 17.257 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.375 18.046 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.810 18.605 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.815 15.785 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.866 17.076 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.798 15.500 -1.001 1.00 0.00 H new ATOM 194 N THR A 16 19.181 18.187 3.075 1.00 0.00 N ATOM 195 CA THR A 16 20.129 19.036 3.785 1.00 0.00 C ATOM 196 C THR A 16 21.273 18.215 4.368 1.00 0.00 C ATOM 197 O THR A 16 22.396 18.702 4.499 1.00 0.00 O ATOM 198 CB THR A 16 19.442 19.818 4.920 1.00 0.00 C ATOM 199 OG1 THR A 16 18.191 20.345 4.465 1.00 0.00 O ATOM 200 CG2 THR A 16 20.328 20.952 5.410 1.00 0.00 C ATOM 0 H THR A 16 18.208 18.318 3.352 1.00 0.00 H new ATOM 0 HA THR A 16 20.527 19.743 3.057 1.00 0.00 H new ATOM 0 HB THR A 16 19.266 19.132 5.749 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.760 20.839 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.821 21.490 6.211 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.267 20.544 5.784 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.532 21.636 4.586 1.00 0.00 H new ATOM 208 N TYR A 17 20.981 16.967 4.716 1.00 0.00 N ATOM 209 CA TYR A 17 21.986 16.078 5.288 1.00 0.00 C ATOM 210 C TYR A 17 22.787 15.384 4.190 1.00 0.00 C ATOM 211 O TYR A 17 24.004 15.230 4.296 1.00 0.00 O ATOM 212 CB TYR A 17 21.322 15.034 6.187 1.00 0.00 C ATOM 213 CG TYR A 17 22.289 14.323 7.105 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.271 15.027 7.793 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.223 12.947 7.285 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.158 14.381 8.632 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.105 12.293 8.124 1.00 0.00 C ATOM 218 CZ TYR A 17 24.070 13.014 8.795 1.00 0.00 C ATOM 219 OH TYR A 17 24.951 12.366 9.630 1.00 0.00 O ATOM 0 H TYR A 17 20.057 16.548 4.612 1.00 0.00 H new ATOM 0 HA TYR A 17 22.669 16.681 5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.554 15.520 6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.818 14.296 5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.341 16.098 7.669 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.469 12.379 6.760 1.00 0.00 H new ATOM 0 HE1 TYR A 17 24.916 14.943 9.157 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.039 11.223 8.253 1.00 0.00 H new ATOM 0 HH TYR A 17 24.667 11.435 9.747 1.00 0.00 H new ATOM 229 N LEU A 18 22.095 14.968 3.135 1.00 0.00 N ATOM 230 CA LEU A 18 22.740 14.291 2.016 1.00 0.00 C ATOM 231 C LEU A 18 23.544 15.276 1.173 1.00 0.00 C ATOM 232 O LEU A 18 24.277 14.881 0.266 1.00 0.00 O ATOM 233 CB LEU A 18 21.694 13.593 1.145 1.00 0.00 C ATOM 234 CG LEU A 18 20.833 12.541 1.844 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.879 11.888 0.855 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.709 11.493 2.513 1.00 0.00 C ATOM 0 H LEU A 18 21.087 15.088 3.031 1.00 0.00 H new ATOM 0 HA LEU A 18 23.424 13.545 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.035 14.353 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.206 13.117 0.308 1.00 0.00 H new ATOM 0 HG LEU A 18 20.242 13.037 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.274 11.142 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 18 19.227 12.647 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.451 11.406 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.079 10.752 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.327 11.002 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.350 11.973 3.252 1.00 0.00 H new ATOM 248 N THR A 19 23.404 16.562 1.481 1.00 0.00 N ATOM 249 CA THR A 19 24.117 17.604 0.753 1.00 0.00 C ATOM 250 C THR A 19 25.413 17.980 1.462 1.00 0.00 C ATOM 251 O THR A 19 26.278 18.641 0.886 1.00 0.00 O ATOM 252 CB THR A 19 23.251 18.867 0.588 1.00 0.00 C ATOM 253 OG1 THR A 19 22.501 19.107 1.784 1.00 0.00 O ATOM 254 CG2 THR A 19 22.301 18.721 -0.591 1.00 0.00 C ATOM 0 H THR A 19 22.803 16.906 2.230 1.00 0.00 H new ATOM 0 HA THR A 19 24.348 17.200 -0.232 1.00 0.00 H new ATOM 0 HB THR A 19 23.913 19.712 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.676 18.579 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.700 19.625 -0.688 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.876 18.568 -1.504 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.646 17.865 -0.427 1.00 0.00 H new ATOM 262 N GLY A 20 25.543 17.555 2.715 1.00 0.00 N ATOM 263 CA GLY A 20 26.738 17.857 3.481 1.00 0.00 C ATOM 264 C GLY A 20 26.481 18.866 4.582 1.00 0.00 C ATOM 265 O GLY A 20 27.411 19.490 5.091 1.00 0.00 O ATOM 0 H GLY A 20 24.842 17.007 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.127 16.938 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.507 18.242 2.812 1.00 0.00 H new ATOM 269 N GLY A 21 25.214 19.028 4.951 1.00 0.00 N ATOM 270 CA GLY A 21 24.860 19.972 5.995 1.00 0.00 C ATOM 271 C GLY A 21 24.748 19.315 7.356 1.00 0.00 C ATOM 272 O GLY A 21 25.158 18.171 7.553 1.00 0.00 O ATOM 0 H GLY A 21 24.426 18.522 4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.610 20.761 6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.911 20.447 5.745 1.00 0.00 H new ATOM 276 N PRO A 22 24.182 20.048 8.327 1.00 0.00 N ATOM 277 CA PRO A 22 24.005 19.550 9.694 1.00 0.00 C ATOM 278 C PRO A 22 22.954 18.448 9.778 1.00 0.00 C ATOM 279 O PRO A 22 21.913 18.519 9.127 1.00 0.00 O ATOM 280 CB PRO A 22 23.544 20.789 10.466 1.00 0.00 C ATOM 281 CG PRO A 22 22.910 21.661 9.438 1.00 0.00 C ATOM 282 CD PRO A 22 23.670 21.419 8.163 1.00 0.00 C ATOM 0 HA PRO A 22 24.918 19.102 10.086 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.837 20.525 11.252 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.383 21.291 10.948 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.855 21.416 9.316 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.962 22.710 9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.025 21.505 7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.479 22.138 8.035 1.00 0.00 H new ATOM 290 N GLY A 23 23.234 17.430 10.586 1.00 0.00 N ATOM 291 CA GLY A 23 22.303 16.328 10.741 1.00 0.00 C ATOM 292 C GLY A 23 22.943 15.114 11.386 1.00 0.00 C ATOM 293 O GLY A 23 24.046 15.182 11.928 1.00 0.00 O ATOM 0 H GLY A 23 24.089 17.349 11.136 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.457 16.654 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.908 16.050 9.764 1.00 0.00 H new ATOM 297 N PRO A 24 22.241 13.973 11.334 1.00 0.00 N ATOM 298 CA PRO A 24 20.926 13.880 10.693 1.00 0.00 C ATOM 299 C PRO A 24 19.847 14.623 11.473 1.00 0.00 C ATOM 300 O PRO A 24 19.728 14.467 12.688 1.00 0.00 O ATOM 301 CB PRO A 24 20.640 12.376 10.684 1.00 0.00 C ATOM 302 CG PRO A 24 21.439 11.833 11.818 1.00 0.00 C ATOM 303 CD PRO A 24 22.676 12.684 11.899 1.00 0.00 C ATOM 0 HA PRO A 24 20.923 14.334 9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.577 12.174 10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.936 11.922 9.738 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.874 11.876 12.749 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.695 10.787 11.649 1.00 0.00 H new ATOM 0 HD2 PRO A 24 23.023 12.792 12.927 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.499 12.252 11.329 1.00 0.00 H new ATOM 311 N SER A 25 19.062 15.430 10.766 1.00 0.00 N ATOM 312 CA SER A 25 17.994 16.200 11.393 1.00 0.00 C ATOM 313 C SER A 25 16.932 15.276 11.982 1.00 0.00 C ATOM 314 O SER A 25 16.862 14.088 11.666 1.00 0.00 O ATOM 315 CB SER A 25 17.354 17.147 10.377 1.00 0.00 C ATOM 316 OG SER A 25 17.444 16.622 9.064 1.00 0.00 O ATOM 0 H SER A 25 19.146 15.567 9.759 1.00 0.00 H new ATOM 0 HA SER A 25 18.430 16.787 12.201 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.308 17.310 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.848 18.118 10.419 1.00 0.00 H new ATOM 0 HG SER A 25 16.924 17.182 8.451 1.00 0.00 H new ATOM 322 N PRO A 26 16.085 15.833 12.860 1.00 0.00 N ATOM 323 CA PRO A 26 15.011 15.078 13.513 1.00 0.00 C ATOM 324 C PRO A 26 13.902 14.690 12.540 1.00 0.00 C ATOM 325 O PRO A 26 13.313 13.616 12.655 1.00 0.00 O ATOM 326 CB PRO A 26 14.481 16.054 14.566 1.00 0.00 C ATOM 327 CG PRO A 26 14.818 17.404 14.036 1.00 0.00 C ATOM 328 CD PRO A 26 16.110 17.243 13.284 1.00 0.00 C ATOM 0 HA PRO A 26 15.369 14.135 13.928 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.406 15.941 14.705 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.948 15.882 15.536 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.029 17.774 13.381 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.925 18.126 14.846 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.165 17.918 12.430 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.972 17.457 13.916 1.00 0.00 H new ATOM 336 N GLN A 27 13.625 15.571 11.584 1.00 0.00 N ATOM 337 CA GLN A 27 12.586 15.319 10.592 1.00 0.00 C ATOM 338 C GLN A 27 13.037 14.264 9.588 1.00 0.00 C ATOM 339 O GLN A 27 12.235 13.457 9.116 1.00 0.00 O ATOM 340 CB GLN A 27 12.224 16.613 9.862 1.00 0.00 C ATOM 341 CG GLN A 27 11.495 17.621 10.736 1.00 0.00 C ATOM 342 CD GLN A 27 12.151 18.988 10.722 1.00 0.00 C ATOM 343 OE1 GLN A 27 13.374 19.102 10.643 1.00 0.00 O ATOM 344 NE2 GLN A 27 11.338 20.036 10.797 1.00 0.00 N ATOM 0 H GLN A 27 14.105 16.465 11.475 1.00 0.00 H new ATOM 0 HA GLN A 27 11.704 14.945 11.113 1.00 0.00 H new ATOM 0 HB2 GLN A 27 13.135 17.070 9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.600 16.372 9.001 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.464 17.714 10.395 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.460 17.250 11.760 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.330 19.896 10.861 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.722 20.981 10.790 1.00 0.00 H new ATOM 353 N CYS A 28 14.326 14.275 9.264 1.00 0.00 N ATOM 354 CA CYS A 28 14.885 13.320 8.314 1.00 0.00 C ATOM 355 C CYS A 28 14.785 11.896 8.853 1.00 0.00 C ATOM 356 O CYS A 28 14.248 11.007 8.191 1.00 0.00 O ATOM 357 CB CYS A 28 16.345 13.663 8.014 1.00 0.00 C ATOM 358 SG CYS A 28 17.244 12.360 7.112 1.00 0.00 S ATOM 0 H CYS A 28 15.003 14.935 9.646 1.00 0.00 H new ATOM 0 HA CYS A 28 14.308 13.382 7.391 1.00 0.00 H new ATOM 0 HB2 CYS A 28 16.379 14.583 7.431 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.861 13.862 8.953 1.00 0.00 H new ATOM 363 N CYS A 29 15.305 11.687 10.057 1.00 0.00 N ATOM 364 CA CYS A 29 15.276 10.372 10.686 1.00 0.00 C ATOM 365 C CYS A 29 13.844 9.858 10.804 1.00 0.00 C ATOM 366 O CYS A 29 13.563 8.698 10.504 1.00 0.00 O ATOM 367 CB CYS A 29 15.924 10.431 12.071 1.00 0.00 C ATOM 368 SG CYS A 29 17.702 10.036 12.077 1.00 0.00 S ATOM 0 H CYS A 29 15.752 12.412 10.618 1.00 0.00 H new ATOM 0 HA CYS A 29 15.841 9.683 10.057 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.783 11.430 12.484 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.406 9.737 12.733 1.00 0.00 H new ATOM 373 N GLY A 30 12.942 10.730 11.243 1.00 0.00 N ATOM 374 CA GLY A 30 11.550 10.345 11.393 1.00 0.00 C ATOM 375 C GLY A 30 10.988 9.702 10.141 1.00 0.00 C ATOM 376 O GLY A 30 10.394 8.627 10.200 1.00 0.00 O ATOM 0 H GLY A 30 13.150 11.696 11.497 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.456 9.650 12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.958 11.225 11.643 1.00 0.00 H new ATOM 380 N GLY A 31 11.175 10.364 9.003 1.00 0.00 N ATOM 381 CA GLY A 31 10.675 9.836 7.747 1.00 0.00 C ATOM 382 C GLY A 31 11.396 8.572 7.321 1.00 0.00 C ATOM 383 O GLY A 31 10.783 7.652 6.780 1.00 0.00 O ATOM 0 H GLY A 31 11.664 11.256 8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.609 9.628 7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.784 10.592 6.970 1.00 0.00 H new ATOM 387 N VAL A 32 12.702 8.527 7.564 1.00 0.00 N ATOM 388 CA VAL A 32 13.507 7.367 7.202 1.00 0.00 C ATOM 389 C VAL A 32 12.960 6.096 7.843 1.00 0.00 C ATOM 390 O VAL A 32 12.667 5.118 7.156 1.00 0.00 O ATOM 391 CB VAL A 32 14.977 7.550 7.625 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.782 6.298 7.314 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.581 8.766 6.939 1.00 0.00 C ATOM 0 H VAL A 32 13.225 9.281 8.010 1.00 0.00 H new ATOM 0 HA VAL A 32 13.457 7.274 6.117 1.00 0.00 H new ATOM 0 HB VAL A 32 15.009 7.715 8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.818 6.446 7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.361 5.451 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.745 6.098 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.620 8.880 7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.538 8.633 5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.019 9.657 7.218 1.00 0.00 H new ATOM 403 N LYS A 33 12.825 6.118 9.164 1.00 0.00 N ATOM 404 CA LYS A 33 12.311 4.968 9.900 1.00 0.00 C ATOM 405 C LYS A 33 10.905 4.606 9.430 1.00 0.00 C ATOM 406 O LYS A 33 10.459 3.470 9.593 1.00 0.00 O ATOM 407 CB LYS A 33 12.298 5.262 11.402 1.00 0.00 C ATOM 408 CG LYS A 33 13.649 5.074 12.070 1.00 0.00 C ATOM 409 CD LYS A 33 13.620 5.520 13.522 1.00 0.00 C ATOM 410 CE LYS A 33 14.651 4.773 14.355 1.00 0.00 C ATOM 411 NZ LYS A 33 14.034 4.110 15.537 1.00 0.00 N ATOM 0 H LYS A 33 13.064 6.919 9.748 1.00 0.00 H new ATOM 0 HA LYS A 33 12.969 4.121 9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.963 6.287 11.560 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.569 4.611 11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.939 4.025 12.016 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.406 5.642 11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.812 6.591 13.579 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.626 5.352 13.936 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.145 4.024 13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.421 5.469 14.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.769 3.612 16.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.584 4.827 16.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.317 3.428 15.217 1.00 0.00 H new ATOM 425 N LYS A 34 10.213 5.577 8.846 1.00 0.00 N ATOM 426 CA LYS A 34 8.859 5.361 8.349 1.00 0.00 C ATOM 427 C LYS A 34 8.877 4.557 7.053 1.00 0.00 C ATOM 428 O LYS A 34 8.018 3.703 6.828 1.00 0.00 O ATOM 429 CB LYS A 34 8.157 6.701 8.121 1.00 0.00 C ATOM 430 CG LYS A 34 6.645 6.587 8.025 1.00 0.00 C ATOM 431 CD LYS A 34 6.115 7.256 6.768 1.00 0.00 C ATOM 432 CE LYS A 34 4.856 8.061 7.053 1.00 0.00 C ATOM 433 NZ LYS A 34 3.799 7.819 6.032 1.00 0.00 N ATOM 0 H LYS A 34 10.568 6.523 8.705 1.00 0.00 H new ATOM 0 HA LYS A 34 8.309 4.794 9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.411 7.378 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.538 7.150 7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.357 5.536 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.188 7.045 8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.881 7.911 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.901 6.498 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.474 7.800 8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.102 9.123 7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.958 8.386 6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.154 8.092 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.546 6.810 6.027 1.00 0.00 H new ATOM 447 N LEU A 35 9.861 4.834 6.204 1.00 0.00 N ATOM 448 CA LEU A 35 9.991 4.135 4.930 1.00 0.00 C ATOM 449 C LEU A 35 10.294 2.656 5.149 1.00 0.00 C ATOM 450 O LEU A 35 9.620 1.785 4.597 1.00 0.00 O ATOM 451 CB LEU A 35 11.096 4.774 4.087 1.00 0.00 C ATOM 452 CG LEU A 35 11.137 4.364 2.614 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.880 5.406 1.791 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.787 2.997 2.459 1.00 0.00 C ATOM 0 H LEU A 35 10.580 5.537 6.375 1.00 0.00 H new ATOM 0 HA LEU A 35 9.043 4.218 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.985 5.857 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.058 4.530 4.539 1.00 0.00 H new ATOM 0 HG LEU A 35 10.113 4.301 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.899 5.098 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.373 6.367 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.901 5.501 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.808 2.721 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.806 3.033 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.214 2.256 3.016 1.00 0.00 H new ATOM 466 N LEU A 36 11.310 2.379 5.958 1.00 0.00 N ATOM 467 CA LEU A 36 11.701 1.005 6.253 1.00 0.00 C ATOM 468 C LEU A 36 10.587 0.267 6.988 1.00 0.00 C ATOM 469 O LEU A 36 10.365 -0.923 6.767 1.00 0.00 O ATOM 470 CB LEU A 36 12.980 0.986 7.091 1.00 0.00 C ATOM 471 CG LEU A 36 14.295 0.974 6.310 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.318 1.883 6.973 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.833 -0.444 6.194 1.00 0.00 C ATOM 0 H LEU A 36 11.878 3.088 6.422 1.00 0.00 H new ATOM 0 HA LEU A 36 11.886 0.496 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.976 1.859 7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.955 0.107 7.735 1.00 0.00 H new ATOM 0 HG LEU A 36 14.103 1.351 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.247 1.862 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.934 2.903 7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.507 1.537 7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.769 -0.433 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.010 -0.849 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.106 -1.067 5.673 1.00 0.00 H new ATOM 485 N ALA A 37 9.887 0.983 7.862 1.00 0.00 N ATOM 486 CA ALA A 37 8.793 0.398 8.627 1.00 0.00 C ATOM 487 C ALA A 37 7.557 0.202 7.755 1.00 0.00 C ATOM 488 O ALA A 37 6.717 -0.653 8.036 1.00 0.00 O ATOM 489 CB ALA A 37 8.461 1.271 9.828 1.00 0.00 C ATOM 0 H ALA A 37 10.058 1.969 8.058 1.00 0.00 H new ATOM 0 HA ALA A 37 9.114 -0.581 8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.642 0.821 10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.338 1.355 10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.165 2.263 9.486 1.00 0.00 H new ATOM 495 N ALA A 38 7.452 0.999 6.698 1.00 0.00 N ATOM 496 CA ALA A 38 6.320 0.912 5.784 1.00 0.00 C ATOM 497 C ALA A 38 6.552 -0.156 4.721 1.00 0.00 C ATOM 498 O ALA A 38 5.682 -0.420 3.892 1.00 0.00 O ATOM 499 CB ALA A 38 6.063 2.262 5.131 1.00 0.00 C ATOM 0 H ALA A 38 8.138 1.713 6.453 1.00 0.00 H new ATOM 0 HA ALA A 38 5.441 0.627 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.215 2.182 4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.843 3.002 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.947 2.571 4.573 1.00 0.00 H new ATOM 505 N ALA A 39 7.732 -0.767 4.751 1.00 0.00 N ATOM 506 CA ALA A 39 8.078 -1.807 3.791 1.00 0.00 C ATOM 507 C ALA A 39 8.489 -3.094 4.499 1.00 0.00 C ATOM 508 O ALA A 39 9.636 -3.244 4.917 1.00 0.00 O ATOM 509 CB ALA A 39 9.194 -1.328 2.873 1.00 0.00 C ATOM 0 H ALA A 39 8.464 -0.559 5.430 1.00 0.00 H new ATOM 0 HA ALA A 39 7.194 -2.020 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.442 -2.115 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.865 -0.440 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.075 -1.085 3.467 1.00 0.00 H new ATOM 515 N ASN A 40 7.544 -4.019 4.631 1.00 0.00 N ATOM 516 CA ASN A 40 7.808 -5.293 5.290 1.00 0.00 C ATOM 517 C ASN A 40 8.007 -6.405 4.265 1.00 0.00 C ATOM 518 O ASN A 40 8.816 -7.312 4.464 1.00 0.00 O ATOM 519 CB ASN A 40 6.657 -5.651 6.232 1.00 0.00 C ATOM 520 CG ASN A 40 6.681 -4.836 7.511 1.00 0.00 C ATOM 521 OD1 ASN A 40 6.035 -3.792 7.607 1.00 0.00 O ATOM 522 ND2 ASN A 40 7.427 -5.311 8.501 1.00 0.00 N ATOM 0 H ASN A 40 6.589 -3.910 4.290 1.00 0.00 H new ATOM 0 HA ASN A 40 8.725 -5.191 5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.708 -5.490 5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.710 -6.711 6.479 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.482 -4.807 9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.946 -6.180 8.377 1.00 0.00 H new ATOM 529 N THR A 41 7.263 -6.329 3.166 1.00 0.00 N ATOM 530 CA THR A 41 7.356 -7.329 2.109 1.00 0.00 C ATOM 531 C THR A 41 8.492 -7.006 1.145 1.00 0.00 C ATOM 532 O THR A 41 9.252 -6.060 1.359 1.00 0.00 O ATOM 533 CB THR A 41 6.040 -7.433 1.317 1.00 0.00 C ATOM 534 OG1 THR A 41 5.833 -6.242 0.550 1.00 0.00 O ATOM 535 CG2 THR A 41 4.860 -7.650 2.253 1.00 0.00 C ATOM 0 H THR A 41 6.589 -5.585 2.985 1.00 0.00 H new ATOM 0 HA THR A 41 7.556 -8.284 2.594 1.00 0.00 H new ATOM 0 HB THR A 41 6.114 -8.289 0.646 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.995 -6.318 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.942 -7.720 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.005 -8.573 2.814 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.787 -6.812 2.946 1.00 0.00 H new ATOM 543 N THR A 42 8.603 -7.796 0.082 1.00 0.00 N ATOM 544 CA THR A 42 9.647 -7.594 -0.915 1.00 0.00 C ATOM 545 C THR A 42 9.246 -6.522 -1.921 1.00 0.00 C ATOM 546 O THR A 42 9.983 -5.570 -2.177 1.00 0.00 O ATOM 547 CB THR A 42 9.962 -8.899 -1.670 1.00 0.00 C ATOM 548 OG1 THR A 42 11.008 -9.612 -1.001 1.00 0.00 O ATOM 549 CG2 THR A 42 10.377 -8.608 -3.104 1.00 0.00 C ATOM 0 H THR A 42 7.982 -8.582 -0.111 1.00 0.00 H new ATOM 0 HA THR A 42 10.538 -7.269 -0.378 1.00 0.00 H new ATOM 0 HB THR A 42 9.059 -9.510 -1.686 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.201 -10.441 -1.486 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.594 -9.545 -3.617 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.567 -8.091 -3.619 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.267 -7.979 -3.105 1.00 0.00 H new ATOM 557 N PRO A 43 8.049 -6.677 -2.507 1.00 0.00 N ATOM 558 CA PRO A 43 7.522 -5.730 -3.494 1.00 0.00 C ATOM 559 C PRO A 43 7.649 -4.282 -3.034 1.00 0.00 C ATOM 560 O PRO A 43 7.900 -3.385 -3.839 1.00 0.00 O ATOM 561 CB PRO A 43 6.048 -6.126 -3.614 1.00 0.00 C ATOM 562 CG PRO A 43 6.010 -7.566 -3.233 1.00 0.00 C ATOM 563 CD PRO A 43 7.117 -7.788 -2.249 1.00 0.00 C ATOM 0 HA PRO A 43 8.068 -5.777 -4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.422 -5.525 -2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.679 -5.975 -4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.046 -7.823 -2.794 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.140 -8.200 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.749 -7.771 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.597 -8.755 -2.399 1.00 0.00 H new ATOM 571 N ASP A 44 7.476 -4.061 -1.736 1.00 0.00 N ATOM 572 CA ASP A 44 7.573 -2.722 -1.168 1.00 0.00 C ATOM 573 C ASP A 44 8.987 -2.169 -1.318 1.00 0.00 C ATOM 574 O ASP A 44 9.176 -1.018 -1.709 1.00 0.00 O ATOM 575 CB ASP A 44 7.172 -2.739 0.308 1.00 0.00 C ATOM 576 CG ASP A 44 5.689 -2.496 0.508 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.932 -2.605 -0.479 1.00 0.00 O ATOM 578 OD2 ASP A 44 5.286 -2.196 1.651 1.00 0.00 O ATOM 0 H ASP A 44 7.268 -4.793 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 44 6.888 -2.073 -1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.442 -3.701 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.738 -1.977 0.844 1.00 0.00 H new ATOM 583 N ARG A 45 9.977 -2.998 -1.002 1.00 0.00 N ATOM 584 CA ARG A 45 11.374 -2.592 -1.099 1.00 0.00 C ATOM 585 C ARG A 45 11.707 -2.126 -2.513 1.00 0.00 C ATOM 586 O ARG A 45 12.392 -1.120 -2.699 1.00 0.00 O ATOM 587 CB ARG A 45 12.292 -3.749 -0.702 1.00 0.00 C ATOM 588 CG ARG A 45 12.584 -3.812 0.788 1.00 0.00 C ATOM 589 CD ARG A 45 12.611 -5.247 1.291 1.00 0.00 C ATOM 590 NE ARG A 45 12.200 -5.344 2.689 1.00 0.00 N ATOM 591 CZ ARG A 45 12.430 -6.409 3.450 1.00 0.00 C ATOM 592 NH1 ARG A 45 13.064 -7.461 2.950 1.00 0.00 N ATOM 593 NH2 ARG A 45 12.025 -6.422 4.714 1.00 0.00 N ATOM 0 H ARG A 45 9.837 -3.955 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 45 11.533 -1.760 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.834 -4.688 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.233 -3.657 -1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.543 -3.336 0.992 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.826 -3.249 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.952 -5.859 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.617 -5.651 1.180 1.00 0.00 H new ATOM 0 HE ARG A 45 11.710 -4.551 3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.376 -7.454 1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.239 -8.277 3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.537 -5.614 5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.202 -7.240 5.298 1.00 0.00 H new ATOM 607 N GLN A 46 11.220 -2.864 -3.505 1.00 0.00 N ATOM 608 CA GLN A 46 11.468 -2.526 -4.901 1.00 0.00 C ATOM 609 C GLN A 46 10.960 -1.124 -5.220 1.00 0.00 C ATOM 610 O GLN A 46 11.689 -0.299 -5.770 1.00 0.00 O ATOM 611 CB GLN A 46 10.796 -3.546 -5.822 1.00 0.00 C ATOM 612 CG GLN A 46 11.630 -4.795 -6.057 1.00 0.00 C ATOM 613 CD GLN A 46 12.427 -5.203 -4.834 1.00 0.00 C ATOM 614 OE1 GLN A 46 11.898 -5.827 -3.914 1.00 0.00 O ATOM 615 NE2 GLN A 46 13.708 -4.853 -4.818 1.00 0.00 N ATOM 0 H GLN A 46 10.652 -3.700 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 46 12.545 -2.550 -5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.837 -3.835 -5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.586 -3.074 -6.782 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.974 -5.615 -6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.312 -4.621 -6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.105 -4.336 -5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.295 -5.101 -4.021 1.00 0.00 H new ATOM 624 N ALA A 47 9.704 -0.861 -4.872 1.00 0.00 N ATOM 625 CA ALA A 47 9.100 0.442 -5.120 1.00 0.00 C ATOM 626 C ALA A 47 9.942 1.562 -4.518 1.00 0.00 C ATOM 627 O ALA A 47 10.352 2.487 -5.217 1.00 0.00 O ATOM 628 CB ALA A 47 7.685 0.483 -4.560 1.00 0.00 C ATOM 0 H ALA A 47 9.086 -1.533 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 47 9.057 0.595 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.246 1.462 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.081 -0.286 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.714 0.303 -3.485 1.00 0.00 H new ATOM 634 N ALA A 48 10.195 1.471 -3.216 1.00 0.00 N ATOM 635 CA ALA A 48 10.989 2.476 -2.521 1.00 0.00 C ATOM 636 C ALA A 48 12.375 2.607 -3.143 1.00 0.00 C ATOM 637 O ALA A 48 12.801 3.703 -3.509 1.00 0.00 O ATOM 638 CB ALA A 48 11.102 2.129 -1.044 1.00 0.00 C ATOM 0 H ALA A 48 9.862 0.712 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 48 10.483 3.436 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.698 2.888 -0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.107 2.093 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.583 1.157 -0.934 1.00 0.00 H new ATOM 644 N CYS A 49 13.075 1.484 -3.260 1.00 0.00 N ATOM 645 CA CYS A 49 14.414 1.473 -3.837 1.00 0.00 C ATOM 646 C CYS A 49 14.447 2.251 -5.149 1.00 0.00 C ATOM 647 O CYS A 49 15.425 2.932 -5.454 1.00 0.00 O ATOM 648 CB CYS A 49 14.878 0.034 -4.073 1.00 0.00 C ATOM 649 SG CYS A 49 15.767 -0.701 -2.663 1.00 0.00 S ATOM 0 H CYS A 49 12.737 0.569 -2.963 1.00 0.00 H new ATOM 0 HA CYS A 49 15.091 1.955 -3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.010 -0.583 -4.303 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.526 0.012 -4.949 1.00 0.00 H new ATOM 654 N ASN A 50 13.370 2.145 -5.921 1.00 0.00 N ATOM 655 CA ASN A 50 13.276 2.839 -7.201 1.00 0.00 C ATOM 656 C ASN A 50 13.233 4.350 -6.998 1.00 0.00 C ATOM 657 O ASN A 50 14.017 5.090 -7.594 1.00 0.00 O ATOM 658 CB ASN A 50 12.031 2.380 -7.963 1.00 0.00 C ATOM 659 CG ASN A 50 12.058 0.895 -8.273 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.124 0.308 -8.458 1.00 0.00 O ATOM 661 ND2 ASN A 50 10.881 0.282 -8.331 1.00 0.00 N ATOM 0 H ASN A 50 12.551 1.586 -5.683 1.00 0.00 H new ATOM 0 HA ASN A 50 14.163 2.594 -7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.143 2.610 -7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.950 2.941 -8.894 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.835 -0.716 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.023 0.809 -8.171 1.00 0.00 H new ATOM 668 N CYS A 51 12.312 4.803 -6.153 1.00 0.00 N ATOM 669 CA CYS A 51 12.166 6.225 -5.871 1.00 0.00 C ATOM 670 C CYS A 51 13.411 6.773 -5.178 1.00 0.00 C ATOM 671 O CYS A 51 13.743 7.952 -5.314 1.00 0.00 O ATOM 672 CB CYS A 51 10.934 6.469 -4.997 1.00 0.00 C ATOM 673 SG CYS A 51 9.354 6.376 -5.897 1.00 0.00 S ATOM 0 H CYS A 51 11.656 4.204 -5.652 1.00 0.00 H new ATOM 0 HA CYS A 51 12.040 6.747 -6.820 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.924 5.737 -4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.019 7.452 -4.534 1.00 0.00 H new ATOM 678 N LEU A 52 14.096 5.910 -4.436 1.00 0.00 N ATOM 679 CA LEU A 52 15.305 6.307 -3.722 1.00 0.00 C ATOM 680 C LEU A 52 16.477 6.472 -4.685 1.00 0.00 C ATOM 681 O LEU A 52 17.074 7.545 -4.774 1.00 0.00 O ATOM 682 CB LEU A 52 15.652 5.270 -2.652 1.00 0.00 C ATOM 683 CG LEU A 52 15.042 5.502 -1.270 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.341 4.328 -0.350 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.562 6.799 -0.668 1.00 0.00 C ATOM 0 H LEU A 52 13.835 4.932 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 52 15.115 7.267 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.334 4.290 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.736 5.234 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 52 13.961 5.584 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.899 4.511 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.919 3.417 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.420 4.213 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.117 6.948 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.646 6.746 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.296 7.634 -1.317 1.00 0.00 H new ATOM 697 N LYS A 53 16.799 5.404 -5.406 1.00 0.00 N ATOM 698 CA LYS A 53 17.896 5.430 -6.366 1.00 0.00 C ATOM 699 C LYS A 53 17.766 6.622 -7.309 1.00 0.00 C ATOM 700 O LYS A 53 18.755 7.278 -7.636 1.00 0.00 O ATOM 701 CB LYS A 53 17.927 4.130 -7.172 1.00 0.00 C ATOM 702 CG LYS A 53 19.322 3.720 -7.612 1.00 0.00 C ATOM 703 CD LYS A 53 19.466 2.209 -7.673 1.00 0.00 C ATOM 704 CE LYS A 53 18.534 1.601 -8.709 1.00 0.00 C ATOM 705 NZ LYS A 53 18.660 2.274 -10.032 1.00 0.00 N ATOM 0 H LYS A 53 16.315 4.508 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 53 18.829 5.528 -5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.495 3.330 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.296 4.244 -8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.535 4.147 -8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.058 4.129 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.497 1.950 -7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.251 1.782 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.756 0.540 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.504 1.677 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.213 1.686 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.189 3.201 -9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.666 2.406 -10.260 1.00 0.00 H new ATOM 719 N SER A 54 16.539 6.898 -7.741 1.00 0.00 N ATOM 720 CA SER A 54 16.281 8.010 -8.649 1.00 0.00 C ATOM 721 C SER A 54 16.348 9.342 -7.908 1.00 0.00 C ATOM 722 O SER A 54 16.663 10.376 -8.496 1.00 0.00 O ATOM 723 CB SER A 54 14.910 7.849 -9.308 1.00 0.00 C ATOM 724 OG SER A 54 14.797 8.671 -10.457 1.00 0.00 O ATOM 0 H SER A 54 15.709 6.367 -7.477 1.00 0.00 H new ATOM 0 HA SER A 54 17.051 8.004 -9.421 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.757 6.806 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.127 8.106 -8.594 1.00 0.00 H new ATOM 0 HG SER A 54 13.913 8.549 -10.861 1.00 0.00 H new ATOM 730 N ALA A 55 16.049 9.308 -6.614 1.00 0.00 N ATOM 731 CA ALA A 55 16.078 10.511 -5.791 1.00 0.00 C ATOM 732 C ALA A 55 17.511 10.942 -5.499 1.00 0.00 C ATOM 733 O ALA A 55 17.877 12.097 -5.715 1.00 0.00 O ATOM 734 CB ALA A 55 15.319 10.280 -4.493 1.00 0.00 C ATOM 0 H ALA A 55 15.784 8.460 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 55 15.591 11.313 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.349 11.186 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.283 10.027 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.781 9.461 -3.942 1.00 0.00 H new ATOM 740 N ALA A 56 18.316 10.007 -5.006 1.00 0.00 N ATOM 741 CA ALA A 56 19.710 10.291 -4.685 1.00 0.00 C ATOM 742 C ALA A 56 20.504 10.631 -5.942 1.00 0.00 C ATOM 743 O ALA A 56 21.613 11.159 -5.863 1.00 0.00 O ATOM 744 CB ALA A 56 20.337 9.107 -3.965 1.00 0.00 C ATOM 0 H ALA A 56 18.027 9.047 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 56 19.737 11.158 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.377 9.333 -3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.792 8.912 -3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.292 8.226 -4.605 1.00 0.00 H new ATOM 750 N GLY A 57 19.930 10.322 -7.101 1.00 0.00 N ATOM 751 CA GLY A 57 20.600 10.601 -8.358 1.00 0.00 C ATOM 752 C GLY A 57 20.663 12.084 -8.664 1.00 0.00 C ATOM 753 O GLY A 57 21.333 12.502 -9.609 1.00 0.00 O ATOM 0 H GLY A 57 19.013 9.884 -7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.612 10.197 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.078 10.088 -9.166 1.00 0.00 H new ATOM 757 N SER A 58 19.962 12.883 -7.866 1.00 0.00 N ATOM 758 CA SER A 58 19.937 14.328 -8.060 1.00 0.00 C ATOM 759 C SER A 58 20.692 15.039 -6.941 1.00 0.00 C ATOM 760 O SER A 58 20.471 16.223 -6.684 1.00 0.00 O ATOM 761 CB SER A 58 18.494 14.831 -8.117 1.00 0.00 C ATOM 762 OG SER A 58 17.938 14.641 -9.406 1.00 0.00 O ATOM 0 H SER A 58 19.403 12.554 -7.079 1.00 0.00 H new ATOM 0 HA SER A 58 20.430 14.552 -9.006 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.892 14.304 -7.377 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.464 15.889 -7.857 1.00 0.00 H new ATOM 0 HG SER A 58 17.015 14.969 -9.416 1.00 0.00 H new ATOM 768 N ILE A 59 21.584 14.309 -6.280 1.00 0.00 N ATOM 769 CA ILE A 59 22.373 14.870 -5.190 1.00 0.00 C ATOM 770 C ILE A 59 23.756 15.291 -5.673 1.00 0.00 C ATOM 771 O ILE A 59 24.549 14.463 -6.124 1.00 0.00 O ATOM 772 CB ILE A 59 22.529 13.865 -4.034 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.171 13.265 -3.663 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.163 14.541 -2.827 1.00 0.00 C ATOM 775 CD1 ILE A 59 20.191 14.280 -3.118 1.00 0.00 C ATOM 0 H ILE A 59 21.778 13.328 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 59 21.835 15.746 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 59 23.184 13.057 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.739 12.792 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.320 12.481 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.267 13.818 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.146 14.924 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 59 22.531 15.366 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.251 13.785 -2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.603 14.736 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.013 15.052 -3.867 1.00 0.00 H new ATOM 787 N THR A 60 24.043 16.586 -5.575 1.00 0.00 N ATOM 788 CA THR A 60 25.331 17.118 -6.000 1.00 0.00 C ATOM 789 C THR A 60 26.453 16.641 -5.085 1.00 0.00 C ATOM 790 O THR A 60 26.506 17.004 -3.910 1.00 0.00 O ATOM 791 CB THR A 60 25.323 18.658 -6.023 1.00 0.00 C ATOM 792 OG1 THR A 60 26.641 19.152 -6.286 1.00 0.00 O ATOM 793 CG2 THR A 60 24.822 19.216 -4.699 1.00 0.00 C ATOM 0 H THR A 60 23.400 17.285 -5.205 1.00 0.00 H new ATOM 0 HA THR A 60 25.507 16.747 -7.010 1.00 0.00 H new ATOM 0 HB THR A 60 24.649 18.984 -6.815 1.00 0.00 H new ATOM 0 HG1 THR A 60 26.626 20.132 -6.300 1.00 0.00 H new ATOM 0 HG21 THR A 60 24.825 20.305 -4.739 1.00 0.00 H new ATOM 0 HG22 THR A 60 23.807 18.862 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 60 25.474 18.880 -3.893 1.00 0.00 H new ATOM 801 N LYS A 61 27.349 15.825 -5.631 1.00 0.00 N ATOM 802 CA LYS A 61 28.472 15.299 -4.864 1.00 0.00 C ATOM 803 C LYS A 61 27.983 14.522 -3.646 1.00 0.00 C ATOM 804 O LYS A 61 28.400 14.789 -2.518 1.00 0.00 O ATOM 805 CB LYS A 61 29.392 16.439 -4.420 1.00 0.00 C ATOM 806 CG LYS A 61 30.366 16.887 -5.495 1.00 0.00 C ATOM 807 CD LYS A 61 31.808 16.703 -5.053 1.00 0.00 C ATOM 808 CE LYS A 61 32.259 15.258 -5.210 1.00 0.00 C ATOM 809 NZ LYS A 61 33.606 15.030 -4.617 1.00 0.00 N ATOM 0 H LYS A 61 27.319 15.514 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 61 29.031 14.619 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.782 17.290 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.954 16.120 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.189 16.318 -6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.189 17.936 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.456 17.353 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.912 17.007 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 61 31.535 14.598 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.279 14.997 -6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.877 14.034 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.302 15.642 -5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.581 15.255 -3.602 1.00 0.00 H new ATOM 823 N LEU A 62 27.097 13.560 -3.880 1.00 0.00 N ATOM 824 CA LEU A 62 26.552 12.743 -2.801 1.00 0.00 C ATOM 825 C LEU A 62 27.670 12.155 -1.946 1.00 0.00 C ATOM 826 O LEU A 62 28.701 11.726 -2.463 1.00 0.00 O ATOM 827 CB LEU A 62 25.687 11.619 -3.374 1.00 0.00 C ATOM 828 CG LEU A 62 25.145 10.608 -2.363 1.00 0.00 C ATOM 829 CD1 LEU A 62 23.791 11.056 -1.835 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.044 9.226 -2.992 1.00 0.00 C ATOM 0 H LEU A 62 26.741 13.327 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 62 25.935 13.382 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 62 24.843 12.068 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.273 11.080 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 62 25.839 10.553 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.420 10.325 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 62 23.894 12.025 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.087 11.140 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.657 8.520 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.371 9.264 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.032 8.903 -3.320 1.00 0.00 H new ATOM 842 N ASN A 63 27.457 12.136 -0.634 1.00 0.00 N ATOM 843 CA ASN A 63 28.445 11.598 0.293 1.00 0.00 C ATOM 844 C ASN A 63 27.962 10.286 0.903 1.00 0.00 C ATOM 845 O ASN A 63 27.119 10.279 1.801 1.00 0.00 O ATOM 846 CB ASN A 63 28.739 12.611 1.401 1.00 0.00 C ATOM 847 CG ASN A 63 30.156 12.496 1.929 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.656 11.395 2.164 1.00 0.00 O ATOM 849 ND2 ASN A 63 30.811 13.635 2.119 1.00 0.00 N ATOM 0 H ASN A 63 26.609 12.487 -0.189 1.00 0.00 H new ATOM 0 HA ASN A 63 29.361 11.403 -0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.577 13.619 1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.036 12.463 2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.767 13.620 2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.358 14.525 1.911 1.00 0.00 H new ATOM 856 N THR A 64 28.502 9.176 0.410 1.00 0.00 N ATOM 857 CA THR A 64 28.127 7.858 0.905 1.00 0.00 C ATOM 858 C THR A 64 28.298 7.769 2.418 1.00 0.00 C ATOM 859 O THR A 64 27.585 7.026 3.090 1.00 0.00 O ATOM 860 CB THR A 64 28.963 6.748 0.240 1.00 0.00 C ATOM 861 OG1 THR A 64 30.351 7.096 0.270 1.00 0.00 O ATOM 862 CG2 THR A 64 28.521 6.527 -1.199 1.00 0.00 C ATOM 0 H THR A 64 29.201 9.164 -0.333 1.00 0.00 H new ATOM 0 HA THR A 64 27.077 7.713 0.651 1.00 0.00 H new ATOM 0 HB THR A 64 28.809 5.824 0.797 1.00 0.00 H new ATOM 0 HG1 THR A 64 30.876 6.385 -0.153 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.125 5.739 -1.648 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.471 6.234 -1.216 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.649 7.450 -1.765 1.00 0.00 H new ATOM 870 N ASN A 65 29.248 8.533 2.947 1.00 0.00 N ATOM 871 CA ASN A 65 29.513 8.541 4.381 1.00 0.00 C ATOM 872 C ASN A 65 28.365 9.197 5.142 1.00 0.00 C ATOM 873 O ASN A 65 27.936 8.704 6.184 1.00 0.00 O ATOM 874 CB ASN A 65 30.822 9.277 4.675 1.00 0.00 C ATOM 875 CG ASN A 65 32.042 8.468 4.280 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.619 8.675 3.213 1.00 0.00 O ATOM 877 ND2 ASN A 65 32.440 7.539 5.142 1.00 0.00 N ATOM 0 H ASN A 65 29.847 9.155 2.404 1.00 0.00 H new ATOM 0 HA ASN A 65 29.603 7.507 4.715 1.00 0.00 H new ATOM 0 HB2 ASN A 65 30.830 10.226 4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 65 30.873 9.511 5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 65 33.255 6.963 4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 65 31.931 7.402 6.015 1.00 0.00 H new ATOM 884 N ASN A 66 27.872 10.312 4.613 1.00 0.00 N ATOM 885 CA ASN A 66 26.774 11.036 5.243 1.00 0.00 C ATOM 886 C ASN A 66 25.456 10.290 5.062 1.00 0.00 C ATOM 887 O ASN A 66 24.641 10.216 5.981 1.00 0.00 O ATOM 888 CB ASN A 66 26.660 12.444 4.655 1.00 0.00 C ATOM 889 CG ASN A 66 27.896 13.282 4.919 1.00 0.00 C ATOM 890 OD1 ASN A 66 28.936 12.764 5.325 1.00 0.00 O ATOM 891 ND2 ASN A 66 27.787 14.586 4.690 1.00 0.00 N ATOM 0 H ASN A 66 28.215 10.734 3.750 1.00 0.00 H new ATOM 0 HA ASN A 66 26.986 11.111 6.310 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.495 12.374 3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 66 25.789 12.943 5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 66 28.585 15.200 4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.905 14.973 4.354 1.00 0.00 H new ATOM 898 N ALA A 67 25.254 9.737 3.870 1.00 0.00 N ATOM 899 CA ALA A 67 24.037 8.994 3.569 1.00 0.00 C ATOM 900 C ALA A 67 23.939 7.732 4.420 1.00 0.00 C ATOM 901 O ALA A 67 22.871 7.399 4.933 1.00 0.00 O ATOM 902 CB ALA A 67 23.986 8.640 2.090 1.00 0.00 C ATOM 0 H ALA A 67 25.918 9.790 3.097 1.00 0.00 H new ATOM 0 HA ALA A 67 23.185 9.630 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.072 8.085 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.000 9.554 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 67 24.850 8.027 1.833 1.00 0.00 H new ATOM 908 N ALA A 68 25.060 7.034 4.566 1.00 0.00 N ATOM 909 CA ALA A 68 25.100 5.810 5.356 1.00 0.00 C ATOM 910 C ALA A 68 25.089 6.119 6.849 1.00 0.00 C ATOM 911 O ALA A 68 24.719 5.276 7.665 1.00 0.00 O ATOM 912 CB ALA A 68 26.329 4.988 4.995 1.00 0.00 C ATOM 0 H ALA A 68 25.953 7.295 4.147 1.00 0.00 H new ATOM 0 HA ALA A 68 24.207 5.229 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.346 4.077 5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.295 4.727 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.228 5.570 5.196 1.00 0.00 H new ATOM 918 N ALA A 69 25.498 7.334 7.200 1.00 0.00 N ATOM 919 CA ALA A 69 25.534 7.756 8.595 1.00 0.00 C ATOM 920 C ALA A 69 24.132 8.057 9.113 1.00 0.00 C ATOM 921 O ALA A 69 23.827 7.820 10.283 1.00 0.00 O ATOM 922 CB ALA A 69 26.432 8.973 8.756 1.00 0.00 C ATOM 0 H ALA A 69 25.809 8.044 6.537 1.00 0.00 H new ATOM 0 HA ALA A 69 25.943 6.937 9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.449 9.277 9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.443 8.724 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.048 9.791 8.147 1.00 0.00 H new ATOM 928 N LEU A 70 23.283 8.582 8.237 1.00 0.00 N ATOM 929 CA LEU A 70 21.912 8.917 8.607 1.00 0.00 C ATOM 930 C LEU A 70 21.234 7.744 9.306 1.00 0.00 C ATOM 931 O LEU A 70 20.759 7.853 10.437 1.00 0.00 O ATOM 932 CB LEU A 70 21.111 9.318 7.366 1.00 0.00 C ATOM 933 CG LEU A 70 19.612 9.021 7.410 1.00 0.00 C ATOM 934 CD1 LEU A 70 18.974 9.675 8.626 1.00 0.00 C ATOM 935 CD2 LEU A 70 18.937 9.495 6.131 1.00 0.00 C ATOM 0 H LEU A 70 23.519 8.785 7.266 1.00 0.00 H new ATOM 0 HA LEU A 70 21.944 9.759 9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.245 10.387 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.537 8.807 6.502 1.00 0.00 H new ATOM 0 HG LEU A 70 19.477 7.942 7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.907 9.453 8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.438 9.287 9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.119 10.754 8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.870 9.276 6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.082 10.570 6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.375 8.980 5.276 1.00 0.00 H new ATOM 947 N PRO A 71 21.188 6.592 8.620 1.00 0.00 N ATOM 948 CA PRO A 71 20.573 5.375 9.158 1.00 0.00 C ATOM 949 C PRO A 71 21.381 4.774 10.303 1.00 0.00 C ATOM 950 O PRO A 71 20.835 4.446 11.356 1.00 0.00 O ATOM 951 CB PRO A 71 20.559 4.425 7.957 1.00 0.00 C ATOM 952 CG PRO A 71 21.672 4.898 7.087 1.00 0.00 C ATOM 953 CD PRO A 71 21.734 6.389 7.268 1.00 0.00 C ATOM 0 HA PRO A 71 19.586 5.568 9.578 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.711 3.391 8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.604 4.463 7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.615 4.431 7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.489 4.639 6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.755 6.761 7.187 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.144 6.910 6.514 1.00 0.00 H new ATOM 961 N GLY A 72 22.686 4.633 10.091 1.00 0.00 N ATOM 962 CA GLY A 72 23.548 4.072 11.115 1.00 0.00 C ATOM 963 C GLY A 72 23.499 4.859 12.409 1.00 0.00 C ATOM 964 O GLY A 72 23.733 4.312 13.487 1.00 0.00 O ATOM 0 H GLY A 72 23.162 4.897 9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.253 3.041 11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.574 4.046 10.748 1.00 0.00 H new ATOM 968 N LYS A 73 23.194 6.148 12.304 1.00 0.00 N ATOM 969 CA LYS A 73 23.115 7.014 13.475 1.00 0.00 C ATOM 970 C LYS A 73 21.814 6.782 14.236 1.00 0.00 C ATOM 971 O LYS A 73 21.817 6.618 15.456 1.00 0.00 O ATOM 972 CB LYS A 73 23.220 8.482 13.057 1.00 0.00 C ATOM 973 CG LYS A 73 24.643 8.939 12.789 1.00 0.00 C ATOM 974 CD LYS A 73 25.062 10.047 13.741 1.00 0.00 C ATOM 975 CE LYS A 73 26.122 10.944 13.120 1.00 0.00 C ATOM 976 NZ LYS A 73 26.499 12.065 14.025 1.00 0.00 N ATOM 0 H LYS A 73 22.997 6.616 11.420 1.00 0.00 H new ATOM 0 HA LYS A 73 23.949 6.770 14.134 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.622 8.639 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.789 9.106 13.840 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.323 8.093 12.892 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.725 9.291 11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.191 10.644 14.012 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.448 9.610 14.662 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.007 10.352 12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 73 25.750 11.347 12.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 27.223 12.653 13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 25.660 12.645 14.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 26.878 11.681 14.914 1.00 0.00 H new ATOM 990 N CYS A 74 20.702 6.770 13.508 1.00 0.00 N ATOM 991 CA CYS A 74 19.393 6.558 14.113 1.00 0.00 C ATOM 992 C CYS A 74 19.106 5.068 14.280 1.00 0.00 C ATOM 993 O CYS A 74 18.023 4.679 14.715 1.00 0.00 O ATOM 994 CB CYS A 74 18.302 7.206 13.260 1.00 0.00 C ATOM 995 SG CYS A 74 17.919 8.926 13.722 1.00 0.00 S ATOM 0 H CYS A 74 20.682 6.905 12.497 1.00 0.00 H new ATOM 0 HA CYS A 74 19.397 7.022 15.099 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.611 7.182 12.215 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.393 6.609 13.337 1.00 0.00 H new ATOM 1000 N GLY A 75 20.085 4.239 13.930 1.00 0.00 N ATOM 1001 CA GLY A 75 19.919 2.803 14.048 1.00 0.00 C ATOM 1002 C GLY A 75 18.818 2.271 13.152 1.00 0.00 C ATOM 1003 O GLY A 75 18.089 1.354 13.529 1.00 0.00 O ATOM 0 H GLY A 75 20.990 4.537 13.567 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.858 2.310 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.694 2.550 15.084 1.00 0.00 H new ATOM 1007 N VAL A 76 18.696 2.849 11.961 1.00 0.00 N ATOM 1008 CA VAL A 76 17.676 2.428 11.008 1.00 0.00 C ATOM 1009 C VAL A 76 18.228 2.402 9.587 1.00 0.00 C ATOM 1010 O VAL A 76 18.035 3.343 8.818 1.00 0.00 O ATOM 1011 CB VAL A 76 16.448 3.357 11.053 1.00 0.00 C ATOM 1012 CG1 VAL A 76 16.874 4.811 10.914 1.00 0.00 C ATOM 1013 CG2 VAL A 76 15.453 2.978 9.967 1.00 0.00 C ATOM 0 H VAL A 76 19.291 3.610 11.633 1.00 0.00 H new ATOM 0 HA VAL A 76 17.372 1.421 11.295 1.00 0.00 H new ATOM 0 HB VAL A 76 15.958 3.237 12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.994 5.453 10.948 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.546 5.073 11.731 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.388 4.950 9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.592 3.645 10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.929 3.068 8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.124 1.950 10.118 1.00 0.00 H new ATOM 1023 N ASN A 77 18.916 1.318 9.245 1.00 0.00 N ATOM 1024 CA ASN A 77 19.497 1.169 7.916 1.00 0.00 C ATOM 1025 C ASN A 77 18.704 0.166 7.084 1.00 0.00 C ATOM 1026 O ASN A 77 17.760 -0.454 7.576 1.00 0.00 O ATOM 1027 CB ASN A 77 20.956 0.720 8.021 1.00 0.00 C ATOM 1028 CG ASN A 77 21.174 -0.280 9.141 1.00 0.00 C ATOM 1029 OD1 ASN A 77 21.403 0.098 10.290 1.00 0.00 O ATOM 1030 ND2 ASN A 77 21.103 -1.564 8.809 1.00 0.00 N ATOM 0 H ASN A 77 19.085 0.530 9.870 1.00 0.00 H new ATOM 0 HA ASN A 77 19.457 2.139 7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 77 21.265 0.275 7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 77 21.590 1.591 8.186 1.00 0.00 H new ATOM 0 HD21 ASN A 77 21.241 -2.283 9.519 1.00 0.00 H new ATOM 0 HD22 ASN A 77 20.911 -1.831 7.844 1.00 0.00 H new ATOM 1037 N ILE A 78 19.093 0.011 5.824 1.00 0.00 N ATOM 1038 CA ILE A 78 18.420 -0.918 4.925 1.00 0.00 C ATOM 1039 C ILE A 78 19.320 -2.099 4.579 1.00 0.00 C ATOM 1040 O ILE A 78 20.546 -2.020 4.657 1.00 0.00 O ATOM 1041 CB ILE A 78 17.980 -0.223 3.623 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.118 0.638 3.069 1.00 0.00 C ATOM 1043 CG2 ILE A 78 16.739 0.623 3.866 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.112 2.057 3.593 1.00 0.00 C ATOM 0 H ILE A 78 19.871 0.517 5.402 1.00 0.00 H new ATOM 0 HA ILE A 78 17.536 -1.280 5.450 1.00 0.00 H new ATOM 0 HB ILE A 78 17.735 -0.988 2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.071 0.171 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.049 0.661 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.441 1.107 2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.928 -0.014 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 78 16.958 1.382 4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.945 2.609 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.174 2.542 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.212 2.044 4.678 1.00 0.00 H new ATOM 1056 N PRO A 79 18.699 -3.221 4.185 1.00 0.00 N ATOM 1057 CA PRO A 79 19.426 -4.440 3.816 1.00 0.00 C ATOM 1058 C PRO A 79 20.189 -4.285 2.505 1.00 0.00 C ATOM 1059 O PRO A 79 20.973 -5.156 2.126 1.00 0.00 O ATOM 1060 CB PRO A 79 18.316 -5.483 3.668 1.00 0.00 C ATOM 1061 CG PRO A 79 17.095 -4.694 3.342 1.00 0.00 C ATOM 1062 CD PRO A 79 17.241 -3.386 4.068 1.00 0.00 C ATOM 0 HA PRO A 79 20.182 -4.704 4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.548 -6.198 2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 79 18.184 -6.054 4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 79 17.008 -4.536 2.267 1.00 0.00 H new ATOM 0 HG3 PRO A 79 16.195 -5.219 3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 79 16.787 -2.565 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 79 16.760 -3.413 5.046 1.00 0.00 H new ATOM 1070 N TYR A 80 19.956 -3.173 1.818 1.00 0.00 N ATOM 1071 CA TYR A 80 20.621 -2.905 0.548 1.00 0.00 C ATOM 1072 C TYR A 80 21.570 -1.717 0.670 1.00 0.00 C ATOM 1073 O TYR A 80 21.842 -1.233 1.769 1.00 0.00 O ATOM 1074 CB TYR A 80 19.587 -2.637 -0.547 1.00 0.00 C ATOM 1075 CG TYR A 80 18.410 -3.585 -0.513 1.00 0.00 C ATOM 1076 CD1 TYR A 80 18.599 -4.961 -0.551 1.00 0.00 C ATOM 1077 CD2 TYR A 80 17.108 -3.105 -0.441 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.526 -5.831 -0.521 1.00 0.00 C ATOM 1079 CE2 TYR A 80 16.029 -3.967 -0.410 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.243 -5.329 -0.450 1.00 0.00 C ATOM 1081 OH TYR A 80 15.172 -6.192 -0.419 1.00 0.00 O ATOM 0 H TYR A 80 19.311 -2.442 2.119 1.00 0.00 H new ATOM 0 HA TYR A 80 21.204 -3.786 0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 80 19.222 -1.615 -0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 80 20.073 -2.709 -1.520 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.602 -5.357 -0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 80 16.937 -2.039 -0.409 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.691 -6.898 -0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 80 15.024 -3.577 -0.355 1.00 0.00 H new ATOM 0 HH TYR A 80 15.440 -7.031 0.012 1.00 0.00 H new ATOM 1091 N LYS A 81 22.071 -1.250 -0.469 1.00 0.00 N ATOM 1092 CA LYS A 81 22.988 -0.117 -0.494 1.00 0.00 C ATOM 1093 C LYS A 81 22.283 1.144 -0.984 1.00 0.00 C ATOM 1094 O LYS A 81 21.110 1.104 -1.356 1.00 0.00 O ATOM 1095 CB LYS A 81 24.188 -0.425 -1.392 1.00 0.00 C ATOM 1096 CG LYS A 81 24.933 -1.689 -1.000 1.00 0.00 C ATOM 1097 CD LYS A 81 26.289 -1.372 -0.392 1.00 0.00 C ATOM 1098 CE LYS A 81 26.829 -2.548 0.408 1.00 0.00 C ATOM 1099 NZ LYS A 81 28.017 -3.164 -0.246 1.00 0.00 N ATOM 0 H LYS A 81 21.857 -1.639 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 81 23.338 0.056 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 81 23.845 -0.520 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 81 24.879 0.418 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 81 24.337 -2.257 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.066 -2.321 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 81 26.993 -1.115 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.204 -0.499 0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.099 -2.213 1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 81 26.047 -3.299 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.355 -3.961 0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 27.754 -3.507 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.772 -2.454 -0.333 1.00 0.00 H new ATOM 1113 N ILE A 82 23.005 2.259 -0.984 1.00 0.00 N ATOM 1114 CA ILE A 82 22.448 3.529 -1.432 1.00 0.00 C ATOM 1115 C ILE A 82 23.392 4.231 -2.402 1.00 0.00 C ATOM 1116 O ILE A 82 24.350 4.884 -1.990 1.00 0.00 O ATOM 1117 CB ILE A 82 22.160 4.467 -0.244 1.00 0.00 C ATOM 1118 CG1 ILE A 82 21.390 3.722 0.847 1.00 0.00 C ATOM 1119 CG2 ILE A 82 21.382 5.688 -0.711 1.00 0.00 C ATOM 1120 CD1 ILE A 82 20.048 3.197 0.388 1.00 0.00 C ATOM 0 H ILE A 82 23.977 2.309 -0.679 1.00 0.00 H new ATOM 0 HA ILE A 82 21.511 3.302 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 82 23.109 4.803 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.995 2.888 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 82 21.239 4.390 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 82 21.186 6.341 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.966 6.228 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 82 20.436 5.371 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 82 19.558 2.680 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 82 19.425 4.029 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 82 20.193 2.503 -0.440 1.00 0.00 H new ATOM 1132 N SER A 83 23.112 4.094 -3.695 1.00 0.00 N ATOM 1133 CA SER A 83 23.937 4.713 -4.725 1.00 0.00 C ATOM 1134 C SER A 83 23.336 4.488 -6.110 1.00 0.00 C ATOM 1135 O SER A 83 22.235 3.953 -6.243 1.00 0.00 O ATOM 1136 CB SER A 83 25.359 4.152 -4.676 1.00 0.00 C ATOM 1137 OG SER A 83 25.477 2.990 -5.479 1.00 0.00 O ATOM 0 H SER A 83 22.320 3.560 -4.053 1.00 0.00 H new ATOM 0 HA SER A 83 23.971 5.785 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.064 4.909 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.624 3.914 -3.646 1.00 0.00 H new ATOM 0 HG SER A 83 26.396 2.652 -5.432 1.00 0.00 H new ATOM 1143 N THR A 84 24.069 4.900 -7.140 1.00 0.00 N ATOM 1144 CA THR A 84 23.610 4.745 -8.514 1.00 0.00 C ATOM 1145 C THR A 84 23.857 3.329 -9.020 1.00 0.00 C ATOM 1146 O THR A 84 23.533 3.000 -10.162 1.00 0.00 O ATOM 1147 CB THR A 84 24.309 5.744 -9.456 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.718 5.754 -9.200 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.745 7.145 -9.275 1.00 0.00 C ATOM 0 H THR A 84 24.983 5.343 -7.048 1.00 0.00 H new ATOM 0 HA THR A 84 22.539 4.946 -8.514 1.00 0.00 H new ATOM 0 HB THR A 84 24.129 5.428 -10.483 1.00 0.00 H new ATOM 0 HG1 THR A 84 26.156 6.390 -9.804 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.254 7.832 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.678 7.140 -9.499 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.898 7.469 -8.245 1.00 0.00 H new ATOM 1157 N THR A 85 24.432 2.491 -8.163 1.00 0.00 N ATOM 1158 CA THR A 85 24.722 1.109 -8.523 1.00 0.00 C ATOM 1159 C THR A 85 24.136 0.140 -7.503 1.00 0.00 C ATOM 1160 O THR A 85 24.818 -0.773 -7.035 1.00 0.00 O ATOM 1161 CB THR A 85 26.239 0.864 -8.634 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.833 0.869 -7.331 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.897 1.928 -9.501 1.00 0.00 C ATOM 0 H THR A 85 24.706 2.746 -7.214 1.00 0.00 H new ATOM 0 HA THR A 85 24.260 0.932 -9.495 1.00 0.00 H new ATOM 0 HB THR A 85 26.394 -0.109 -9.100 1.00 0.00 H new ATOM 0 HG1 THR A 85 26.498 0.105 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.968 1.734 -9.565 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.463 1.902 -10.501 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.732 2.911 -9.059 1.00 0.00 H new ATOM 1171 N THR A 86 22.867 0.342 -7.162 1.00 0.00 N ATOM 1172 CA THR A 86 22.189 -0.514 -6.197 1.00 0.00 C ATOM 1173 C THR A 86 21.007 -1.234 -6.836 1.00 0.00 C ATOM 1174 O THR A 86 20.074 -0.600 -7.328 1.00 0.00 O ATOM 1175 CB THR A 86 21.689 0.294 -4.984 1.00 0.00 C ATOM 1176 OG1 THR A 86 22.803 0.802 -4.241 1.00 0.00 O ATOM 1177 CG2 THR A 86 20.822 -0.569 -4.080 1.00 0.00 C ATOM 0 H THR A 86 22.288 1.092 -7.540 1.00 0.00 H new ATOM 0 HA THR A 86 22.919 -1.249 -5.859 1.00 0.00 H new ATOM 0 HB THR A 86 21.088 1.126 -5.352 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.510 1.554 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.481 0.023 -3.231 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.960 -0.931 -4.640 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.403 -1.418 -3.721 1.00 0.00 H new ATOM 1185 N ASN A 87 21.052 -2.562 -6.824 1.00 0.00 N ATOM 1186 CA ASN A 87 19.984 -3.369 -7.403 1.00 0.00 C ATOM 1187 C ASN A 87 19.279 -4.190 -6.327 1.00 0.00 C ATOM 1188 O ASN A 87 19.742 -5.267 -5.950 1.00 0.00 O ATOM 1189 CB ASN A 87 20.545 -4.296 -8.483 1.00 0.00 C ATOM 1190 CG ASN A 87 19.496 -4.695 -9.503 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.299 -4.511 -9.284 1.00 0.00 O ATOM 1192 ND2 ASN A 87 19.943 -5.246 -10.626 1.00 0.00 N ATOM 0 H ASN A 87 21.817 -3.102 -6.420 1.00 0.00 H new ATOM 0 HA ASN A 87 19.257 -2.695 -7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.372 -3.799 -8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 87 20.951 -5.192 -8.014 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.285 -5.536 -11.349 1.00 0.00 H new ATOM 0 HD22 ASN A 87 20.945 -5.379 -10.765 1.00 0.00 H new ATOM 1199 N CYS A 88 18.156 -3.674 -5.838 1.00 0.00 N ATOM 1200 CA CYS A 88 17.386 -4.358 -4.806 1.00 0.00 C ATOM 1201 C CYS A 88 16.560 -5.492 -5.406 1.00 0.00 C ATOM 1202 O CYS A 88 16.018 -6.328 -4.684 1.00 0.00 O ATOM 1203 CB CYS A 88 16.468 -3.369 -4.086 1.00 0.00 C ATOM 1204 SG CYS A 88 17.289 -1.822 -3.584 1.00 0.00 S ATOM 0 H CYS A 88 17.759 -2.784 -6.140 1.00 0.00 H new ATOM 0 HA CYS A 88 18.086 -4.783 -4.087 1.00 0.00 H new ATOM 0 HB2 CYS A 88 15.629 -3.127 -4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 88 16.054 -3.852 -3.201 1.00 0.00 H new ATOM 1209 N ASN A 89 16.468 -5.512 -6.732 1.00 0.00 N ATOM 1210 CA ASN A 89 15.707 -6.543 -7.430 1.00 0.00 C ATOM 1211 C ASN A 89 16.514 -7.832 -7.541 1.00 0.00 C ATOM 1212 O ASN A 89 15.968 -8.931 -7.439 1.00 0.00 O ATOM 1213 CB ASN A 89 15.308 -6.055 -8.824 1.00 0.00 C ATOM 1214 CG ASN A 89 14.939 -4.584 -8.838 1.00 0.00 C ATOM 1215 OD1 ASN A 89 14.334 -4.075 -7.895 1.00 0.00 O ATOM 1216 ND2 ASN A 89 15.302 -3.894 -9.913 1.00 0.00 N ATOM 0 H ASN A 89 16.910 -4.827 -7.344 1.00 0.00 H new ATOM 0 HA ASN A 89 14.805 -6.749 -6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.133 -6.227 -9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.463 -6.642 -9.183 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.080 -2.901 -9.980 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.802 -4.357 -10.671 1.00 0.00 H new ATOM 1223 N THR A 90 17.819 -7.691 -7.752 1.00 0.00 N ATOM 1224 CA THR A 90 18.702 -8.844 -7.878 1.00 0.00 C ATOM 1225 C THR A 90 19.354 -9.187 -6.543 1.00 0.00 C ATOM 1226 O THR A 90 20.552 -9.459 -6.477 1.00 0.00 O ATOM 1227 CB THR A 90 19.804 -8.596 -8.925 1.00 0.00 C ATOM 1228 OG1 THR A 90 20.324 -7.269 -8.784 1.00 0.00 O ATOM 1229 CG2 THR A 90 19.265 -8.788 -10.335 1.00 0.00 C ATOM 0 H THR A 90 18.288 -6.789 -7.839 1.00 0.00 H new ATOM 0 HA THR A 90 18.084 -9.681 -8.203 1.00 0.00 H new ATOM 0 HB THR A 90 20.603 -9.319 -8.757 1.00 0.00 H new ATOM 0 HG1 THR A 90 21.126 -7.171 -9.338 1.00 0.00 H new ATOM 0 HG21 THR A 90 20.062 -8.607 -11.057 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.897 -9.808 -10.448 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.450 -8.086 -10.511 1.00 0.00 H new ATOM 1237 N VAL A 91 18.556 -9.172 -5.480 1.00 0.00 N ATOM 1238 CA VAL A 91 19.055 -9.484 -4.146 1.00 0.00 C ATOM 1239 C VAL A 91 18.966 -10.979 -3.861 1.00 0.00 C ATOM 1240 O VAL A 91 17.913 -11.594 -4.033 1.00 0.00 O ATOM 1241 CB VAL A 91 18.273 -8.718 -3.061 1.00 0.00 C ATOM 1242 CG1 VAL A 91 18.765 -9.105 -1.675 1.00 0.00 C ATOM 1243 CG2 VAL A 91 18.393 -7.217 -3.278 1.00 0.00 C ATOM 0 H VAL A 91 17.562 -8.947 -5.517 1.00 0.00 H new ATOM 0 HA VAL A 91 20.100 -9.174 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 91 17.220 -8.990 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.201 -8.554 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 91 18.623 -10.175 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 91 19.824 -8.863 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.835 -6.692 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.442 -6.925 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 91 17.988 -6.957 -4.256 1.00 0.00 H new ATOM 1253 N LYS A 92 20.078 -11.559 -3.423 1.00 0.00 N ATOM 1254 CA LYS A 92 20.127 -12.982 -3.111 1.00 0.00 C ATOM 1255 C LYS A 92 19.731 -13.236 -1.660 1.00 0.00 C ATOM 1256 O LYS A 92 20.508 -12.980 -0.740 1.00 0.00 O ATOM 1257 CB LYS A 92 21.531 -13.534 -3.371 1.00 0.00 C ATOM 1258 CG LYS A 92 21.817 -13.803 -4.839 1.00 0.00 C ATOM 1259 CD LYS A 92 23.301 -14.007 -5.090 1.00 0.00 C ATOM 1260 CE LYS A 92 23.564 -14.508 -6.502 1.00 0.00 C ATOM 1261 NZ LYS A 92 23.677 -15.992 -6.553 1.00 0.00 N ATOM 0 H LYS A 92 20.958 -11.065 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 92 19.415 -13.494 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 92 22.267 -12.826 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.658 -14.459 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.268 -14.688 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 92 21.457 -12.968 -5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 92 23.830 -13.067 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.698 -14.722 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.757 -14.183 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.483 -14.061 -6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 23.856 -16.293 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.463 -16.301 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 22.791 -16.419 -6.216 1.00 0.00 H new ATOM 1275 N PHE A 93 18.518 -13.741 -1.463 1.00 0.00 N ATOM 1276 CA PHE A 93 18.018 -14.030 -0.124 1.00 0.00 C ATOM 1277 C PHE A 93 18.144 -12.806 0.779 1.00 0.00 C ATOM 1278 O PHE A 93 17.756 -12.841 1.946 1.00 0.00 O ATOM 1279 CB PHE A 93 18.783 -15.207 0.486 1.00 0.00 C ATOM 1280 CG PHE A 93 18.162 -16.542 0.189 1.00 0.00 C ATOM 1281 CD1 PHE A 93 17.999 -16.969 -1.119 1.00 0.00 C ATOM 1282 CD2 PHE A 93 17.743 -17.370 1.218 1.00 0.00 C ATOM 1283 CE1 PHE A 93 17.429 -18.198 -1.396 1.00 0.00 C ATOM 1284 CE2 PHE A 93 17.173 -18.600 0.947 1.00 0.00 C ATOM 1285 CZ PHE A 93 17.014 -19.013 -0.361 1.00 0.00 C ATOM 0 H PHE A 93 17.863 -13.959 -2.214 1.00 0.00 H new ATOM 0 HA PHE A 93 16.963 -14.293 -0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 93 19.806 -15.199 0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 93 18.839 -15.073 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 93 18.321 -16.335 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 93 17.863 -17.051 2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 93 17.309 -18.520 -2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 93 16.852 -19.237 1.758 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.566 -19.972 -0.574 1.00 0.00 H new TER 1295 PHE A 93