USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 507 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 Single : A 1 LEU N :NH3+ 163:sc=0.000176 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 144:sc= 1.01 (180deg=-0.223) USER MOD Single : A 12 GLN : amide:sc= -0.419 K(o=-0.42,f=-1.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.415 X(o=-0.42,f=-0.38) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 22 LYS NZ :NH3+ 152:sc= -0.174 (180deg=-0.765) USER MOD Single : A 26 LYS NZ :NH3+ -179:sc=-0.00757 (180deg=-0.0112) USER MOD Single : A 29 TYR OH : rot -30:sc= -0.999 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0724 K(o=-0.072,f=-1.7!) USER MOD Single : A 39 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.54) USER MOD Single : A 45 SER OG : rot 45:sc= 0.0831 USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.039) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 54 THR OG1 : rot 142:sc= 0.106 USER MOD Single : A 56 GLN :FLIP amide:sc= -2.62! C(o=-5.9!,f=-2.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 62 LYS NZ :NH3+ -155:sc= -0.116 (180deg=-0.553) USER MOD Single : A 64 ASN : amide:sc= -2.81 K(o=-2.8,f=-5.4!) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0854) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.568 0.101 0.218 1.00 0.00 N ATOM 2 CA LEU A 1 2.422 -0.067 -0.952 1.00 0.00 C ATOM 3 C LEU A 1 1.796 -1.037 -1.949 1.00 0.00 C ATOM 4 O LEU A 1 1.139 -2.005 -1.562 1.00 0.00 O ATOM 5 CB LEU A 1 3.803 -0.571 -0.531 1.00 0.00 C ATOM 6 CG LEU A 1 4.990 0.304 -0.937 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.284 -0.252 -0.364 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.078 0.414 -2.452 1.00 0.00 C ATOM 0 H1 LEU A 1 2.120 0.519 0.994 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.774 0.729 -0.019 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.200 -0.825 0.515 1.00 0.00 H new ATOM 0 HA LEU A 1 2.528 0.904 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.812 -0.681 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.949 -1.565 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 1 4.837 1.303 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.117 0.384 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.219 -0.277 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.444 -1.262 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.928 1.040 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.207 -0.579 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.161 0.860 -2.838 1.00 0.00 H new ATOM 20 N THR A 2 2.005 -0.774 -3.235 1.00 0.00 N ATOM 21 CA THR A 2 1.462 -1.624 -4.287 1.00 0.00 C ATOM 22 C THR A 2 2.558 -2.460 -4.938 1.00 0.00 C ATOM 23 O THR A 2 3.698 -2.013 -5.072 1.00 0.00 O ATOM 24 CB THR A 2 0.755 -0.791 -5.373 1.00 0.00 C ATOM 25 OG1 THR A 2 0.002 0.266 -4.767 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.170 -1.664 -6.208 1.00 0.00 C ATOM 0 H THR A 2 2.547 0.021 -3.573 1.00 0.00 H new ATOM 0 HA THR A 2 0.735 -2.285 -3.816 1.00 0.00 H new ATOM 0 HB THR A 2 1.517 -0.366 -6.027 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.443 0.792 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.658 -1.054 -6.968 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.410 -2.450 -6.691 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.925 -2.114 -5.564 1.00 0.00 H new ATOM 34 N CYS A 3 2.206 -3.676 -5.342 1.00 0.00 N ATOM 35 CA CYS A 3 3.160 -4.576 -5.980 1.00 0.00 C ATOM 36 C CYS A 3 2.437 -5.675 -6.753 1.00 0.00 C ATOM 37 O CYS A 3 1.428 -6.212 -6.293 1.00 0.00 O ATOM 38 CB CYS A 3 4.085 -5.198 -4.933 1.00 0.00 C ATOM 39 SG CYS A 3 3.290 -5.495 -3.321 1.00 0.00 S ATOM 0 H CYS A 3 1.267 -4.061 -5.239 1.00 0.00 H new ATOM 0 HA CYS A 3 3.757 -3.994 -6.682 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.467 -6.144 -5.317 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.944 -4.543 -4.787 1.00 0.00 H new ATOM 44 N LEU A 4 2.959 -6.006 -7.929 1.00 0.00 N ATOM 45 CA LEU A 4 2.365 -7.042 -8.766 1.00 0.00 C ATOM 46 C LEU A 4 2.909 -8.418 -8.399 1.00 0.00 C ATOM 47 O LEU A 4 4.084 -8.712 -8.624 1.00 0.00 O ATOM 48 CB LEU A 4 2.638 -6.750 -10.243 1.00 0.00 C ATOM 49 CG LEU A 4 2.387 -5.313 -10.701 1.00 0.00 C ATOM 50 CD1 LEU A 4 3.643 -4.472 -10.532 1.00 0.00 C ATOM 51 CD2 LEU A 4 1.918 -5.289 -12.148 1.00 0.00 C ATOM 0 H LEU A 4 3.793 -5.572 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 4 1.289 -7.040 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.677 -7.002 -10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.019 -7.415 -10.845 1.00 0.00 H new ATOM 0 HG LEU A 4 1.601 -4.885 -10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.445 -3.452 -10.863 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.936 -4.462 -9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.449 -4.898 -11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.744 -4.258 -12.457 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.681 -5.735 -12.785 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.992 -5.856 -12.240 1.00 0.00 H new ATOM 63 N ILE A 5 2.048 -9.258 -7.834 1.00 0.00 N ATOM 64 CA ILE A 5 2.442 -10.604 -7.439 1.00 0.00 C ATOM 65 C ILE A 5 1.893 -11.645 -8.409 1.00 0.00 C ATOM 66 O ILE A 5 0.828 -11.460 -8.998 1.00 0.00 O ATOM 67 CB ILE A 5 1.956 -10.938 -6.016 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.596 -11.638 -6.069 1.00 0.00 C ATOM 69 CG2 ILE A 5 1.875 -9.674 -5.174 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.522 -10.749 -6.567 1.00 0.00 C ATOM 0 H ILE A 5 1.073 -9.030 -7.640 1.00 0.00 H new ATOM 0 HA ILE A 5 3.531 -10.632 -7.458 1.00 0.00 H new ATOM 0 HB ILE A 5 2.674 -11.615 -5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.671 -12.511 -6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.344 -12.001 -5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.530 -9.926 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.861 -9.213 -5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.176 -8.975 -5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.456 -11.311 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.624 -9.888 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.292 -10.406 -7.576 1.00 0.00 H new ATOM 82 N CYS A 6 2.627 -12.741 -8.570 1.00 0.00 N ATOM 83 CA CYS A 6 2.215 -13.813 -9.467 1.00 0.00 C ATOM 84 C CYS A 6 3.290 -14.892 -9.557 1.00 0.00 C ATOM 85 O CYS A 6 4.288 -14.752 -10.265 1.00 0.00 O ATOM 86 CB CYS A 6 1.920 -13.255 -10.861 1.00 0.00 C ATOM 87 SG CYS A 6 1.690 -14.531 -12.140 1.00 0.00 S ATOM 0 H CYS A 6 3.511 -12.910 -8.090 1.00 0.00 H new ATOM 0 HA CYS A 6 1.308 -14.262 -9.062 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.022 -12.640 -10.812 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.739 -12.600 -11.159 1.00 0.00 H new ATOM 92 N PRO A 7 3.084 -15.995 -8.822 1.00 0.00 N ATOM 93 CA PRO A 7 4.024 -17.120 -8.802 1.00 0.00 C ATOM 94 C PRO A 7 4.043 -17.883 -10.122 1.00 0.00 C ATOM 95 O PRO A 7 3.403 -18.926 -10.254 1.00 0.00 O ATOM 96 CB PRO A 7 3.489 -18.009 -7.677 1.00 0.00 C ATOM 97 CG PRO A 7 2.037 -17.685 -7.596 1.00 0.00 C ATOM 98 CD PRO A 7 1.917 -16.230 -7.955 1.00 0.00 C ATOM 0 HA PRO A 7 5.052 -16.790 -8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.647 -19.065 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.994 -17.801 -6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.460 -18.305 -8.282 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.650 -17.873 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.982 -16.020 -8.474 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.940 -15.594 -7.070 1.00 0.00 H new ATOM 106 N GLU A 8 4.781 -17.357 -11.094 1.00 0.00 N ATOM 107 CA GLU A 8 4.882 -17.991 -12.403 1.00 0.00 C ATOM 108 C GLU A 8 6.090 -17.463 -13.172 1.00 0.00 C ATOM 109 O GLU A 8 6.794 -16.567 -12.706 1.00 0.00 O ATOM 110 CB GLU A 8 3.605 -17.750 -13.211 1.00 0.00 C ATOM 111 CG GLU A 8 2.572 -18.854 -13.061 1.00 0.00 C ATOM 112 CD GLU A 8 1.663 -18.971 -14.269 1.00 0.00 C ATOM 113 OE1 GLU A 8 0.707 -18.174 -14.370 1.00 0.00 O ATOM 114 OE2 GLU A 8 1.907 -19.859 -15.112 1.00 0.00 O ATOM 0 H GLU A 8 5.317 -16.494 -11.000 1.00 0.00 H new ATOM 0 HA GLU A 8 5.010 -19.063 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.161 -16.804 -12.900 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.866 -17.649 -14.265 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.082 -19.804 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.968 -18.663 -12.174 1.00 0.00 H new ATOM 121 N LYS A 9 6.324 -18.025 -14.353 1.00 0.00 N ATOM 122 CA LYS A 9 7.446 -17.612 -15.188 1.00 0.00 C ATOM 123 C LYS A 9 7.269 -16.174 -15.665 1.00 0.00 C ATOM 124 O LYS A 9 8.004 -15.278 -15.250 1.00 0.00 O ATOM 125 CB LYS A 9 7.582 -18.547 -16.392 1.00 0.00 C ATOM 126 CG LYS A 9 7.310 -20.005 -16.065 1.00 0.00 C ATOM 127 CD LYS A 9 8.119 -20.467 -14.865 1.00 0.00 C ATOM 128 CE LYS A 9 7.657 -21.830 -14.373 1.00 0.00 C ATOM 129 NZ LYS A 9 6.466 -21.725 -13.485 1.00 0.00 N ATOM 0 H LYS A 9 5.751 -18.768 -14.754 1.00 0.00 H new ATOM 0 HA LYS A 9 8.354 -17.667 -14.587 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.892 -18.224 -17.172 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.589 -18.457 -16.799 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.248 -20.142 -15.863 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.553 -20.624 -16.929 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.175 -20.514 -15.133 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.027 -19.738 -14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.418 -22.463 -15.228 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.470 -22.316 -13.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.837 -22.537 -13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.773 -21.721 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.955 -20.844 -13.693 1.00 0.00 H new ATOM 143 N ASP A 10 6.289 -15.961 -16.537 1.00 0.00 N ATOM 144 CA ASP A 10 6.014 -14.631 -17.067 1.00 0.00 C ATOM 145 C ASP A 10 4.587 -14.200 -16.742 1.00 0.00 C ATOM 146 O ASP A 10 3.644 -14.551 -17.453 1.00 0.00 O ATOM 147 CB ASP A 10 6.235 -14.607 -18.581 1.00 0.00 C ATOM 148 CG ASP A 10 5.953 -13.245 -19.185 1.00 0.00 C ATOM 149 OD1 ASP A 10 6.867 -12.394 -19.181 1.00 0.00 O ATOM 150 OD2 ASP A 10 4.819 -13.030 -19.661 1.00 0.00 O ATOM 0 H ASP A 10 5.672 -16.692 -16.891 1.00 0.00 H new ATOM 0 HA ASP A 10 6.702 -13.929 -16.595 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.264 -14.892 -18.800 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.591 -15.350 -19.051 1.00 0.00 H new ATOM 155 N CYS A 11 4.435 -13.440 -15.663 1.00 0.00 N ATOM 156 CA CYS A 11 3.124 -12.962 -15.242 1.00 0.00 C ATOM 157 C CYS A 11 3.232 -12.129 -13.968 1.00 0.00 C ATOM 158 O CYS A 11 3.995 -12.461 -13.061 1.00 0.00 O ATOM 159 CB CYS A 11 2.177 -14.142 -15.015 1.00 0.00 C ATOM 160 SG CYS A 11 0.857 -13.814 -13.803 1.00 0.00 S ATOM 0 H CYS A 11 5.205 -13.142 -15.064 1.00 0.00 H new ATOM 0 HA CYS A 11 2.723 -12.330 -16.035 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.722 -14.417 -15.966 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.758 -15.001 -14.680 1.00 0.00 H new ATOM 165 N GLN A 12 2.462 -11.048 -13.907 1.00 0.00 N ATOM 166 CA GLN A 12 2.471 -10.168 -12.745 1.00 0.00 C ATOM 167 C GLN A 12 1.110 -9.509 -12.550 1.00 0.00 C ATOM 168 O GLN A 12 0.666 -8.719 -13.383 1.00 0.00 O ATOM 169 CB GLN A 12 3.553 -9.097 -12.898 1.00 0.00 C ATOM 170 CG GLN A 12 3.577 -8.449 -14.273 1.00 0.00 C ATOM 171 CD GLN A 12 4.501 -9.165 -15.239 1.00 0.00 C ATOM 172 OE1 GLN A 12 5.509 -9.747 -14.836 1.00 0.00 O ATOM 173 NE2 GLN A 12 4.162 -9.126 -16.522 1.00 0.00 N ATOM 0 H GLN A 12 1.824 -10.760 -14.649 1.00 0.00 H new ATOM 0 HA GLN A 12 2.690 -10.773 -11.865 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.398 -8.325 -12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.527 -9.545 -12.699 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.567 -8.438 -14.683 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.893 -7.410 -14.176 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.318 -8.632 -16.812 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.746 -9.590 -17.218 1.00 0.00 H new ATOM 182 N LYS A 13 0.451 -9.839 -11.444 1.00 0.00 N ATOM 183 CA LYS A 13 -0.860 -9.279 -11.138 1.00 0.00 C ATOM 184 C LYS A 13 -0.757 -8.218 -10.046 1.00 0.00 C ATOM 185 O LYS A 13 -0.381 -8.514 -8.912 1.00 0.00 O ATOM 186 CB LYS A 13 -1.820 -10.386 -10.698 1.00 0.00 C ATOM 187 CG LYS A 13 -2.416 -11.169 -11.855 1.00 0.00 C ATOM 188 CD LYS A 13 -3.644 -10.478 -12.423 1.00 0.00 C ATOM 189 CE LYS A 13 -4.533 -11.452 -13.180 1.00 0.00 C ATOM 190 NZ LYS A 13 -4.042 -11.690 -14.565 1.00 0.00 N ATOM 0 H LYS A 13 0.804 -10.492 -10.744 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.247 -8.809 -12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.290 -11.074 -10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.628 -9.944 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.668 -11.286 -12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.684 -12.170 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.212 -10.020 -11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.334 -9.673 -13.090 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.575 -12.399 -12.642 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.550 -11.062 -13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.675 -12.359 -15.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.026 -10.791 -15.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.081 -12.087 -14.529 1.00 0.00 H new ATOM 204 N VAL A 14 -1.094 -6.981 -10.397 1.00 0.00 N ATOM 205 CA VAL A 14 -1.042 -5.876 -9.446 1.00 0.00 C ATOM 206 C VAL A 14 -1.763 -6.232 -8.151 1.00 0.00 C ATOM 207 O VAL A 14 -2.856 -6.798 -8.171 1.00 0.00 O ATOM 208 CB VAL A 14 -1.669 -4.599 -10.035 1.00 0.00 C ATOM 209 CG1 VAL A 14 -0.953 -4.193 -11.314 1.00 0.00 C ATOM 210 CG2 VAL A 14 -3.155 -4.803 -10.289 1.00 0.00 C ATOM 0 H VAL A 14 -1.406 -6.719 -11.332 1.00 0.00 H new ATOM 0 HA VAL A 14 0.011 -5.690 -9.233 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.555 -3.792 -9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.410 -3.289 -11.716 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.098 -4.003 -11.098 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.033 -4.996 -12.047 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.582 -3.890 -10.705 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.294 -5.623 -10.994 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.655 -5.042 -9.350 1.00 0.00 H new ATOM 220 N HIS A 15 -1.143 -5.895 -7.024 1.00 0.00 N ATOM 221 CA HIS A 15 -1.726 -6.178 -5.717 1.00 0.00 C ATOM 222 C HIS A 15 -1.518 -5.005 -4.764 1.00 0.00 C ATOM 223 O HIS A 15 -0.575 -4.228 -4.915 1.00 0.00 O ATOM 224 CB HIS A 15 -1.111 -7.447 -5.124 1.00 0.00 C ATOM 225 CG HIS A 15 -2.091 -8.290 -4.368 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.129 -8.346 -2.991 1.00 0.00 N ATOM 227 CD2 HIS A 15 -3.073 -9.113 -4.804 1.00 0.00 C ATOM 228 CE1 HIS A 15 -3.091 -9.169 -2.613 1.00 0.00 C ATOM 229 NE2 HIS A 15 -3.680 -9.647 -3.694 1.00 0.00 N ATOM 0 H HIS A 15 -0.238 -5.426 -6.990 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.797 -6.330 -5.850 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.678 -8.041 -5.929 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.294 -7.168 -4.458 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.331 -9.313 -5.834 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.351 -9.410 -1.593 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.459 -10.306 -3.703 1.00 0.00 H new ATOM 237 N THR A 16 -2.406 -4.882 -3.782 1.00 0.00 N ATOM 238 CA THR A 16 -2.321 -3.803 -2.806 1.00 0.00 C ATOM 239 C THR A 16 -2.055 -4.347 -1.407 1.00 0.00 C ATOM 240 O THR A 16 -2.887 -5.051 -0.834 1.00 0.00 O ATOM 241 CB THR A 16 -3.613 -2.965 -2.781 1.00 0.00 C ATOM 242 OG1 THR A 16 -4.444 -3.312 -3.895 1.00 0.00 O ATOM 243 CG2 THR A 16 -3.295 -1.478 -2.823 1.00 0.00 C ATOM 0 H THR A 16 -3.192 -5.517 -3.642 1.00 0.00 H new ATOM 0 HA THR A 16 -1.490 -3.167 -3.110 1.00 0.00 H new ATOM 0 HB THR A 16 -4.142 -3.181 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.264 -2.776 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.223 -0.907 -2.804 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.687 -1.211 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.746 -1.249 -3.737 1.00 0.00 H new ATOM 251 N CYS A 17 -0.890 -4.015 -0.860 1.00 0.00 N ATOM 252 CA CYS A 17 -0.513 -4.470 0.473 1.00 0.00 C ATOM 253 C CYS A 17 -0.755 -3.377 1.509 1.00 0.00 C ATOM 254 O CYS A 17 0.158 -2.630 1.864 1.00 0.00 O ATOM 255 CB CYS A 17 0.958 -4.891 0.494 1.00 0.00 C ATOM 256 SG CYS A 17 1.343 -6.185 1.717 1.00 0.00 S ATOM 0 H CYS A 17 -0.191 -3.432 -1.320 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.134 -5.330 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.237 -5.248 -0.497 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.573 -4.015 0.702 1.00 0.00 H new ATOM 261 N ARG A 18 -1.991 -3.289 1.991 1.00 0.00 N ATOM 262 CA ARG A 18 -2.353 -2.286 2.986 1.00 0.00 C ATOM 263 C ARG A 18 -2.235 -2.854 4.397 1.00 0.00 C ATOM 264 O ARG A 18 -2.812 -2.318 5.342 1.00 0.00 O ATOM 265 CB ARG A 18 -3.779 -1.788 2.743 1.00 0.00 C ATOM 266 CG ARG A 18 -4.078 -1.486 1.283 1.00 0.00 C ATOM 267 CD ARG A 18 -5.508 -1.005 1.096 1.00 0.00 C ATOM 268 NE ARG A 18 -6.475 -2.089 1.253 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.791 -1.911 1.222 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.294 -0.698 1.040 1.00 0.00 N ATOM 271 NH2 ARG A 18 -8.606 -2.947 1.373 1.00 0.00 N ATOM 0 H ARG A 18 -2.758 -3.900 1.709 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.662 -1.449 2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.483 -2.539 3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.946 -0.887 3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.387 -0.726 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.913 -2.381 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.724 -0.219 1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.616 -0.564 0.105 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.120 -3.035 1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.670 0.101 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.305 -0.563 1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.222 -3.882 1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.616 -2.809 1.349 1.00 0.00 H new ATOM 285 N ASN A 19 -1.484 -3.942 4.531 1.00 0.00 N ATOM 286 CA ASN A 19 -1.291 -4.584 5.826 1.00 0.00 C ATOM 287 C ASN A 19 -0.173 -3.902 6.609 1.00 0.00 C ATOM 288 O ASN A 19 0.410 -2.921 6.150 1.00 0.00 O ATOM 289 CB ASN A 19 -0.968 -6.068 5.641 1.00 0.00 C ATOM 290 CG ASN A 19 -2.164 -6.863 5.153 1.00 0.00 C ATOM 291 OD1 ASN A 19 -2.673 -6.629 4.057 1.00 0.00 O ATOM 292 ND2 ASN A 19 -2.617 -7.809 5.967 1.00 0.00 N ATOM 0 H ASN A 19 -0.999 -4.398 3.758 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.218 -4.490 6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.150 -6.173 4.928 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.621 -6.482 6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.419 -8.377 5.693 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.163 -7.968 6.867 1.00 0.00 H new ATOM 299 N GLU A 20 0.121 -4.431 7.793 1.00 0.00 N ATOM 300 CA GLU A 20 1.169 -3.873 8.640 1.00 0.00 C ATOM 301 C GLU A 20 2.485 -3.764 7.875 1.00 0.00 C ATOM 302 O GLU A 20 3.316 -2.906 8.170 1.00 0.00 O ATOM 303 CB GLU A 20 1.362 -4.738 9.887 1.00 0.00 C ATOM 304 CG GLU A 20 1.603 -6.206 9.579 1.00 0.00 C ATOM 305 CD GLU A 20 0.327 -7.025 9.607 1.00 0.00 C ATOM 306 OE1 GLU A 20 -0.529 -6.761 10.477 1.00 0.00 O ATOM 307 OE2 GLU A 20 0.185 -7.930 8.759 1.00 0.00 O ATOM 0 H GLU A 20 -0.351 -5.245 8.187 1.00 0.00 H new ATOM 0 HA GLU A 20 0.861 -2.873 8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.206 -4.352 10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.480 -4.649 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.067 -6.296 8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.308 -6.614 10.303 1.00 0.00 H new ATOM 314 N GLU A 21 2.666 -4.640 6.891 1.00 0.00 N ATOM 315 CA GLU A 21 3.881 -4.642 6.085 1.00 0.00 C ATOM 316 C GLU A 21 3.919 -3.433 5.155 1.00 0.00 C ATOM 317 O GLU A 21 3.038 -2.575 5.197 1.00 0.00 O ATOM 318 CB GLU A 21 3.974 -5.932 5.267 1.00 0.00 C ATOM 319 CG GLU A 21 4.276 -7.164 6.105 1.00 0.00 C ATOM 320 CD GLU A 21 3.039 -7.735 6.769 1.00 0.00 C ATOM 321 OE1 GLU A 21 1.922 -7.450 6.287 1.00 0.00 O ATOM 322 OE2 GLU A 21 3.186 -8.467 7.770 1.00 0.00 O ATOM 0 H GLU A 21 1.987 -5.356 6.633 1.00 0.00 H new ATOM 0 HA GLU A 21 4.735 -4.586 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.034 -6.085 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.751 -5.818 4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.729 -7.927 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.009 -6.908 6.870 1.00 0.00 H new ATOM 329 N LYS A 22 4.948 -3.372 4.316 1.00 0.00 N ATOM 330 CA LYS A 22 5.103 -2.270 3.374 1.00 0.00 C ATOM 331 C LYS A 22 5.753 -2.748 2.080 1.00 0.00 C ATOM 332 O LYS A 22 5.168 -2.636 1.002 1.00 0.00 O ATOM 333 CB LYS A 22 5.944 -1.154 3.998 1.00 0.00 C ATOM 334 CG LYS A 22 5.125 -0.137 4.774 1.00 0.00 C ATOM 335 CD LYS A 22 6.009 0.758 5.626 1.00 0.00 C ATOM 336 CE LYS A 22 5.243 1.341 6.803 1.00 0.00 C ATOM 337 NZ LYS A 22 4.743 0.279 7.720 1.00 0.00 N ATOM 0 H LYS A 22 5.687 -4.073 4.269 1.00 0.00 H new ATOM 0 HA LYS A 22 4.112 -1.882 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.684 -1.597 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.493 -0.640 3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.549 0.474 4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.409 -0.655 5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.861 0.186 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.408 1.567 5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.890 2.023 7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.402 1.928 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.664 0.662 8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.809 -0.046 7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.407 -0.522 7.719 1.00 0.00 H new ATOM 351 N ILE A 23 6.965 -3.282 2.194 1.00 0.00 N ATOM 352 CA ILE A 23 7.692 -3.779 1.033 1.00 0.00 C ATOM 353 C ILE A 23 7.145 -5.127 0.577 1.00 0.00 C ATOM 354 O ILE A 23 6.398 -5.784 1.303 1.00 0.00 O ATOM 355 CB ILE A 23 9.197 -3.923 1.330 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.419 -4.895 2.490 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.806 -2.565 1.645 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.770 -5.573 2.460 1.00 0.00 C ATOM 0 H ILE A 23 7.463 -3.381 3.078 1.00 0.00 H new ATOM 0 HA ILE A 23 7.555 -3.046 0.238 1.00 0.00 H new ATOM 0 HB ILE A 23 9.691 -4.325 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.313 -4.355 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.639 -5.656 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.870 -2.683 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.674 -1.900 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.311 -2.138 2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.858 -6.248 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.872 -6.141 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.556 -4.820 2.511 1.00 0.00 H new ATOM 370 N CYS A 24 7.521 -5.535 -0.630 1.00 0.00 N ATOM 371 CA CYS A 24 7.070 -6.806 -1.184 1.00 0.00 C ATOM 372 C CYS A 24 8.250 -7.626 -1.695 1.00 0.00 C ATOM 373 O CYS A 24 9.051 -7.149 -2.500 1.00 0.00 O ATOM 374 CB CYS A 24 6.072 -6.565 -2.319 1.00 0.00 C ATOM 375 SG CYS A 24 4.761 -5.368 -1.915 1.00 0.00 S ATOM 0 H CYS A 24 8.138 -5.003 -1.244 1.00 0.00 H new ATOM 0 HA CYS A 24 6.578 -7.367 -0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.614 -6.211 -3.196 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.611 -7.515 -2.591 1.00 0.00 H new ATOM 380 N VAL A 25 8.352 -8.865 -1.222 1.00 0.00 N ATOM 381 CA VAL A 25 9.433 -9.753 -1.631 1.00 0.00 C ATOM 382 C VAL A 25 8.911 -11.155 -1.926 1.00 0.00 C ATOM 383 O VAL A 25 7.962 -11.621 -1.296 1.00 0.00 O ATOM 384 CB VAL A 25 10.527 -9.841 -0.550 1.00 0.00 C ATOM 385 CG1 VAL A 25 9.935 -10.303 0.772 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.644 -10.771 -0.998 1.00 0.00 C ATOM 0 H VAL A 25 7.699 -9.276 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 25 9.863 -9.330 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 25 10.950 -8.847 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.723 -10.359 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.173 -9.594 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.484 -11.287 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.408 -10.822 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.239 -11.768 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.086 -10.391 -1.919 1.00 0.00 H new ATOM 396 N LYS A 26 9.539 -11.824 -2.887 1.00 0.00 N ATOM 397 CA LYS A 26 9.140 -13.174 -3.265 1.00 0.00 C ATOM 398 C LYS A 26 10.359 -14.077 -3.426 1.00 0.00 C ATOM 399 O LYS A 26 11.424 -13.628 -3.850 1.00 0.00 O ATOM 400 CB LYS A 26 8.338 -13.145 -4.569 1.00 0.00 C ATOM 401 CG LYS A 26 8.340 -14.469 -5.313 1.00 0.00 C ATOM 402 CD LYS A 26 7.275 -14.501 -6.397 1.00 0.00 C ATOM 403 CE LYS A 26 7.868 -14.217 -7.769 1.00 0.00 C ATOM 404 NZ LYS A 26 8.414 -15.449 -8.402 1.00 0.00 N ATOM 0 H LYS A 26 10.327 -11.453 -3.418 1.00 0.00 H new ATOM 0 HA LYS A 26 8.514 -13.577 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.309 -12.864 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.746 -12.371 -5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.320 -14.635 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.169 -15.283 -4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.790 -15.477 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.504 -13.764 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.102 -13.786 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.661 -13.475 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.824 -15.211 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.151 -15.856 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.649 -16.142 -8.530 1.00 0.00 H new ATOM 418 N ARG A 27 10.195 -15.351 -3.085 1.00 0.00 N ATOM 419 CA ARG A 27 11.283 -16.316 -3.192 1.00 0.00 C ATOM 420 C ARG A 27 10.818 -17.582 -3.906 1.00 0.00 C ATOM 421 O ARG A 27 9.723 -18.085 -3.652 1.00 0.00 O ATOM 422 CB ARG A 27 11.818 -16.669 -1.803 1.00 0.00 C ATOM 423 CG ARG A 27 11.894 -15.480 -0.860 1.00 0.00 C ATOM 424 CD ARG A 27 12.514 -15.865 0.474 1.00 0.00 C ATOM 425 NE ARG A 27 11.569 -16.575 1.333 1.00 0.00 N ATOM 426 CZ ARG A 27 10.531 -15.992 1.923 1.00 0.00 C ATOM 427 NH1 ARG A 27 10.307 -14.697 1.747 1.00 0.00 N ATOM 428 NH2 ARG A 27 9.716 -16.704 2.689 1.00 0.00 N ATOM 0 H ARG A 27 9.320 -15.739 -2.733 1.00 0.00 H new ATOM 0 HA ARG A 27 12.082 -15.862 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.179 -17.433 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.812 -17.105 -1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.483 -14.686 -1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.893 -15.080 -0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.388 -16.493 0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.863 -14.967 0.984 1.00 0.00 H new ATOM 0 HE ARG A 27 11.714 -17.573 1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.932 -14.147 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.510 -14.251 2.201 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.886 -17.700 2.826 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.920 -16.255 3.141 1.00 0.00 H new ATOM 442 N PHE A 28 11.657 -18.092 -4.802 1.00 0.00 N ATOM 443 CA PHE A 28 11.332 -19.298 -5.554 1.00 0.00 C ATOM 444 C PHE A 28 12.550 -20.210 -5.672 1.00 0.00 C ATOM 445 O PHE A 28 13.688 -19.768 -5.515 1.00 0.00 O ATOM 446 CB PHE A 28 10.818 -18.932 -6.948 1.00 0.00 C ATOM 447 CG PHE A 28 11.875 -18.351 -7.843 1.00 0.00 C ATOM 448 CD1 PHE A 28 12.700 -19.177 -8.589 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.043 -16.979 -7.938 1.00 0.00 C ATOM 450 CE1 PHE A 28 13.673 -18.646 -9.415 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.014 -16.442 -8.762 1.00 0.00 C ATOM 452 CZ PHE A 28 13.831 -17.276 -9.500 1.00 0.00 C ATOM 0 H PHE A 28 12.567 -17.689 -5.025 1.00 0.00 H new ATOM 0 HA PHE A 28 10.550 -19.833 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.404 -19.823 -7.419 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.003 -18.215 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.582 -20.249 -8.524 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.408 -16.322 -7.362 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.308 -19.301 -9.993 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.134 -15.371 -8.829 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.592 -16.858 -10.142 1.00 0.00 H new ATOM 462 N TYR A 29 12.301 -21.485 -5.949 1.00 0.00 N ATOM 463 CA TYR A 29 13.376 -22.461 -6.085 1.00 0.00 C ATOM 464 C TYR A 29 13.150 -23.354 -7.301 1.00 0.00 C ATOM 465 O TYR A 29 12.017 -23.716 -7.617 1.00 0.00 O ATOM 466 CB TYR A 29 13.479 -23.317 -4.821 1.00 0.00 C ATOM 467 CG TYR A 29 14.878 -23.819 -4.542 1.00 0.00 C ATOM 468 CD1 TYR A 29 15.455 -24.804 -5.333 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.622 -23.306 -3.486 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.733 -25.265 -5.080 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.901 -23.760 -3.227 1.00 0.00 C ATOM 472 CZ TYR A 29 17.451 -24.740 -4.027 1.00 0.00 C ATOM 473 OH TYR A 29 18.725 -25.196 -3.773 1.00 0.00 O ATOM 0 H TYR A 29 11.365 -21.867 -6.084 1.00 0.00 H new ATOM 0 HA TYR A 29 14.311 -21.918 -6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 29 13.135 -22.733 -3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.808 -24.171 -4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.896 -25.217 -6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.193 -22.540 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 29 17.167 -26.032 -5.704 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.467 -23.350 -2.403 1.00 0.00 H new ATOM 0 HH TYR A 29 18.799 -26.133 -4.052 1.00 0.00 H new ATOM 483 N ASP A 30 14.237 -23.707 -7.978 1.00 0.00 N ATOM 484 CA ASP A 30 14.160 -24.559 -9.159 1.00 0.00 C ATOM 485 C ASP A 30 15.449 -25.355 -9.340 1.00 0.00 C ATOM 486 O ASP A 30 16.514 -24.786 -9.581 1.00 0.00 O ATOM 487 CB ASP A 30 13.888 -23.716 -10.406 1.00 0.00 C ATOM 488 CG ASP A 30 14.995 -22.718 -10.683 1.00 0.00 C ATOM 489 OD1 ASP A 30 15.019 -21.658 -10.023 1.00 0.00 O ATOM 490 OD2 ASP A 30 15.839 -22.998 -11.560 1.00 0.00 O ATOM 0 H ASP A 30 15.182 -23.416 -7.729 1.00 0.00 H new ATOM 0 HA ASP A 30 13.338 -25.260 -9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.772 -24.374 -11.267 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.945 -23.183 -10.282 1.00 0.00 H new ATOM 495 N LYS A 31 15.345 -26.674 -9.221 1.00 0.00 N ATOM 496 CA LYS A 31 16.501 -27.550 -9.371 1.00 0.00 C ATOM 497 C LYS A 31 16.183 -28.716 -10.300 1.00 0.00 C ATOM 498 O LYS A 31 16.789 -29.783 -10.203 1.00 0.00 O ATOM 499 CB LYS A 31 16.947 -28.078 -8.005 1.00 0.00 C ATOM 500 CG LYS A 31 18.430 -28.398 -7.932 1.00 0.00 C ATOM 501 CD LYS A 31 19.277 -27.140 -8.036 1.00 0.00 C ATOM 502 CE LYS A 31 19.764 -26.681 -6.670 1.00 0.00 C ATOM 503 NZ LYS A 31 21.124 -26.079 -6.740 1.00 0.00 N ATOM 0 H LYS A 31 14.471 -27.160 -9.021 1.00 0.00 H new ATOM 0 HA LYS A 31 17.311 -26.969 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.705 -27.338 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 31 16.378 -28.977 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.648 -28.908 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 31 18.695 -29.084 -8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.133 -27.329 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.694 -26.345 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.065 -25.952 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 31 19.777 -27.529 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.420 -25.779 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.797 -26.783 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 21.106 -25.254 -7.374 1.00 0.00 H new ATOM 517 N ASN A 32 15.229 -28.506 -11.202 1.00 0.00 N ATOM 518 CA ASN A 32 14.832 -29.541 -12.150 1.00 0.00 C ATOM 519 C ASN A 32 13.727 -29.036 -13.074 1.00 0.00 C ATOM 520 O ASN A 32 13.032 -28.072 -12.756 1.00 0.00 O ATOM 521 CB ASN A 32 14.358 -30.790 -11.404 1.00 0.00 C ATOM 522 CG ASN A 32 14.972 -32.061 -11.957 1.00 0.00 C ATOM 523 OD1 ASN A 32 14.441 -32.665 -12.889 1.00 0.00 O ATOM 524 ND2 ASN A 32 16.096 -32.474 -11.383 1.00 0.00 N ATOM 0 H ASN A 32 14.717 -27.629 -11.296 1.00 0.00 H new ATOM 0 HA ASN A 32 15.701 -29.797 -12.757 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.611 -30.697 -10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.272 -30.857 -11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.554 -33.324 -11.712 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.501 -31.942 -10.613 1.00 0.00 H new ATOM 531 N GLN A 33 13.573 -29.697 -14.217 1.00 0.00 N ATOM 532 CA GLN A 33 12.553 -29.315 -15.186 1.00 0.00 C ATOM 533 C GLN A 33 11.165 -29.336 -14.554 1.00 0.00 C ATOM 534 O GLN A 33 10.314 -28.503 -14.871 1.00 0.00 O ATOM 535 CB GLN A 33 12.590 -30.254 -16.394 1.00 0.00 C ATOM 536 CG GLN A 33 13.887 -30.179 -17.183 1.00 0.00 C ATOM 537 CD GLN A 33 13.761 -30.776 -18.571 1.00 0.00 C ATOM 538 OE1 GLN A 33 12.662 -30.884 -19.115 1.00 0.00 O ATOM 539 NE2 GLN A 33 14.889 -31.167 -19.152 1.00 0.00 N ATOM 0 H GLN A 33 14.140 -30.498 -14.494 1.00 0.00 H new ATOM 0 HA GLN A 33 12.766 -28.299 -15.517 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.441 -31.278 -16.052 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.758 -30.014 -17.056 1.00 0.00 H new ATOM 0 HG2 GLN A 33 14.197 -29.137 -17.266 1.00 0.00 H new ATOM 0 HG3 GLN A 33 14.671 -30.703 -16.636 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.778 -31.059 -18.664 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.866 -31.576 -20.086 1.00 0.00 H new ATOM 548 N LEU A 34 10.943 -30.292 -13.659 1.00 0.00 N ATOM 549 CA LEU A 34 9.657 -30.421 -12.981 1.00 0.00 C ATOM 550 C LEU A 34 9.672 -29.692 -11.641 1.00 0.00 C ATOM 551 O LEU A 34 8.688 -29.708 -10.904 1.00 0.00 O ATOM 552 CB LEU A 34 9.318 -31.897 -12.768 1.00 0.00 C ATOM 553 CG LEU A 34 9.471 -32.804 -13.989 1.00 0.00 C ATOM 554 CD1 LEU A 34 9.002 -32.089 -15.247 1.00 0.00 C ATOM 555 CD2 LEU A 34 10.915 -33.259 -14.139 1.00 0.00 C ATOM 0 H LEU A 34 11.636 -30.989 -13.386 1.00 0.00 H new ATOM 0 HA LEU A 34 8.893 -29.966 -13.612 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.954 -32.284 -11.971 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.289 -31.966 -12.416 1.00 0.00 H new ATOM 0 HG LEU A 34 8.847 -33.686 -13.843 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.118 -32.750 -16.106 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.953 -31.815 -15.140 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.599 -31.189 -15.398 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.004 -33.904 -15.013 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.560 -32.389 -14.262 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.217 -33.811 -13.249 1.00 0.00 H new ATOM 567 N GLY A 35 10.796 -29.052 -11.334 1.00 0.00 N ATOM 568 CA GLY A 35 10.917 -28.324 -10.084 1.00 0.00 C ATOM 569 C GLY A 35 10.918 -26.822 -10.285 1.00 0.00 C ATOM 570 O GLY A 35 11.801 -26.278 -10.948 1.00 0.00 O ATOM 0 H GLY A 35 11.625 -29.025 -11.928 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.093 -28.599 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.838 -28.621 -9.582 1.00 0.00 H new ATOM 574 N TRP A 36 9.925 -26.150 -9.715 1.00 0.00 N ATOM 575 CA TRP A 36 9.813 -24.701 -9.836 1.00 0.00 C ATOM 576 C TRP A 36 8.660 -24.171 -8.991 1.00 0.00 C ATOM 577 O TRP A 36 7.505 -24.197 -9.415 1.00 0.00 O ATOM 578 CB TRP A 36 9.613 -24.306 -11.300 1.00 0.00 C ATOM 579 CG TRP A 36 9.604 -22.823 -11.519 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.576 -21.962 -11.258 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.671 -22.028 -12.046 1.00 0.00 C ATOM 582 NE1 TRP A 36 8.940 -20.680 -11.591 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.221 -20.693 -12.076 1.00 0.00 C ATOM 584 CE3 TRP A 36 11.964 -22.313 -12.494 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.019 -19.649 -12.537 1.00 0.00 C ATOM 586 CZ3 TRP A 36 12.754 -21.275 -12.952 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.280 -19.957 -12.970 1.00 0.00 C ATOM 0 H TRP A 36 9.185 -26.585 -9.164 1.00 0.00 H new ATOM 0 HA TRP A 36 10.739 -24.258 -9.470 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.407 -24.750 -11.900 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.672 -24.725 -11.657 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.618 -22.247 -10.850 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.352 -19.852 -11.493 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.339 -23.326 -12.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.655 -18.632 -12.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.754 -21.484 -13.302 1.00 0.00 H new ATOM 0 HH2 TRP A 36 12.922 -19.168 -13.333 1.00 0.00 H new ATOM 598 N ARG A 37 8.982 -23.689 -7.795 1.00 0.00 N ATOM 599 CA ARG A 37 7.972 -23.154 -6.891 1.00 0.00 C ATOM 600 C ARG A 37 8.338 -21.742 -6.442 1.00 0.00 C ATOM 601 O ARG A 37 9.496 -21.456 -6.140 1.00 0.00 O ATOM 602 CB ARG A 37 7.815 -24.063 -5.671 1.00 0.00 C ATOM 603 CG ARG A 37 7.428 -25.491 -6.022 1.00 0.00 C ATOM 604 CD ARG A 37 6.990 -26.268 -4.790 1.00 0.00 C ATOM 605 NE ARG A 37 6.557 -27.622 -5.123 1.00 0.00 N ATOM 606 CZ ARG A 37 6.135 -28.501 -4.221 1.00 0.00 C ATOM 607 NH1 ARG A 37 6.089 -28.170 -2.938 1.00 0.00 N ATOM 608 NH2 ARG A 37 5.756 -29.715 -4.602 1.00 0.00 N ATOM 0 H ARG A 37 9.934 -23.658 -7.430 1.00 0.00 H new ATOM 0 HA ARG A 37 7.025 -23.113 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.752 -24.076 -5.115 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.058 -23.642 -5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.620 -25.481 -6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.275 -25.994 -6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.815 -26.316 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.175 -25.738 -4.297 1.00 0.00 H new ATOM 0 HE ARG A 37 6.580 -27.909 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.378 -27.238 -2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.764 -28.847 -2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.789 -29.973 -5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.432 -30.389 -3.909 1.00 0.00 H new ATOM 622 N ALA A 38 7.342 -20.863 -6.400 1.00 0.00 N ATOM 623 CA ALA A 38 7.558 -19.482 -5.987 1.00 0.00 C ATOM 624 C ALA A 38 6.539 -19.057 -4.936 1.00 0.00 C ATOM 625 O ALA A 38 5.442 -19.610 -4.864 1.00 0.00 O ATOM 626 CB ALA A 38 7.495 -18.555 -7.192 1.00 0.00 C ATOM 0 H ALA A 38 6.377 -21.083 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 38 8.550 -19.413 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.658 -17.527 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.266 -18.837 -7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.515 -18.636 -7.663 1.00 0.00 H new ATOM 632 N GLN A 39 6.909 -18.072 -4.123 1.00 0.00 N ATOM 633 CA GLN A 39 6.025 -17.575 -3.075 1.00 0.00 C ATOM 634 C GLN A 39 6.342 -16.121 -2.740 1.00 0.00 C ATOM 635 O GLN A 39 7.491 -15.773 -2.469 1.00 0.00 O ATOM 636 CB GLN A 39 6.152 -18.439 -1.819 1.00 0.00 C ATOM 637 CG GLN A 39 5.178 -19.606 -1.782 1.00 0.00 C ATOM 638 CD GLN A 39 3.732 -19.161 -1.872 1.00 0.00 C ATOM 639 OE1 GLN A 39 3.357 -18.117 -1.338 1.00 0.00 O ATOM 640 NE2 GLN A 39 2.909 -19.954 -2.549 1.00 0.00 N ATOM 0 H GLN A 39 7.814 -17.603 -4.170 1.00 0.00 H new ATOM 0 HA GLN A 39 5.000 -17.629 -3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.170 -18.824 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.991 -17.814 -0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.398 -20.284 -2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.325 -20.168 -0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.262 -20.810 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.924 -19.706 -2.642 1.00 0.00 H new ATOM 649 N ARG A 40 5.316 -15.277 -2.762 1.00 0.00 N ATOM 650 CA ARG A 40 5.486 -13.860 -2.462 1.00 0.00 C ATOM 651 C ARG A 40 5.103 -13.561 -1.016 1.00 0.00 C ATOM 652 O ARG A 40 4.509 -14.396 -0.335 1.00 0.00 O ATOM 653 CB ARG A 40 4.638 -13.011 -3.411 1.00 0.00 C ATOM 654 CG ARG A 40 5.201 -11.620 -3.651 1.00 0.00 C ATOM 655 CD ARG A 40 5.169 -11.252 -5.126 1.00 0.00 C ATOM 656 NE ARG A 40 6.509 -11.024 -5.662 1.00 0.00 N ATOM 657 CZ ARG A 40 6.838 -11.233 -6.931 1.00 0.00 C ATOM 658 NH1 ARG A 40 5.929 -11.672 -7.791 1.00 0.00 N ATOM 659 NH2 ARG A 40 8.078 -11.002 -7.343 1.00 0.00 N ATOM 0 H ARG A 40 4.358 -15.549 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 40 6.537 -13.608 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.550 -13.528 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.631 -12.921 -3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.626 -10.890 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.227 -11.574 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.684 -12.050 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.566 -10.354 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 40 7.231 -10.686 -5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.975 -11.850 -7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.184 -11.832 -8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.780 -10.664 -6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.330 -11.163 -8.318 1.00 0.00 H new ATOM 673 N GLY A 41 5.449 -12.363 -0.553 1.00 0.00 N ATOM 674 CA GLY A 41 5.134 -11.975 0.809 1.00 0.00 C ATOM 675 C GLY A 41 5.645 -10.590 1.150 1.00 0.00 C ATOM 676 O GLY A 41 6.795 -10.255 0.861 1.00 0.00 O ATOM 0 H GLY A 41 5.942 -11.655 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.054 -12.006 0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.567 -12.699 1.499 1.00 0.00 H new ATOM 680 N CYS A 42 4.790 -9.780 1.766 1.00 0.00 N ATOM 681 CA CYS A 42 5.160 -8.422 2.145 1.00 0.00 C ATOM 682 C CYS A 42 6.020 -8.424 3.406 1.00 0.00 C ATOM 683 O CYS A 42 6.186 -9.456 4.055 1.00 0.00 O ATOM 684 CB CYS A 42 3.907 -7.574 2.371 1.00 0.00 C ATOM 685 SG CYS A 42 2.931 -7.272 0.862 1.00 0.00 S ATOM 0 H CYS A 42 3.836 -10.041 2.013 1.00 0.00 H new ATOM 0 HA CYS A 42 5.741 -7.990 1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.274 -8.069 3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.202 -6.615 2.798 1.00 0.00 H new ATOM 690 N ALA A 43 6.565 -7.260 3.745 1.00 0.00 N ATOM 691 CA ALA A 43 7.406 -7.127 4.929 1.00 0.00 C ATOM 692 C ALA A 43 7.828 -5.677 5.142 1.00 0.00 C ATOM 693 O ALA A 43 7.321 -4.769 4.483 1.00 0.00 O ATOM 694 CB ALA A 43 8.630 -8.023 4.810 1.00 0.00 C ATOM 0 H ALA A 43 6.439 -6.396 3.217 1.00 0.00 H new ATOM 0 HA ALA A 43 6.823 -7.440 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.249 -7.914 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.313 -9.061 4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.206 -7.737 3.930 1.00 0.00 H new ATOM 700 N VAL A 44 8.760 -5.467 6.066 1.00 0.00 N ATOM 701 CA VAL A 44 9.251 -4.127 6.365 1.00 0.00 C ATOM 702 C VAL A 44 10.767 -4.054 6.226 1.00 0.00 C ATOM 703 O VAL A 44 11.363 -2.986 6.371 1.00 0.00 O ATOM 704 CB VAL A 44 8.855 -3.689 7.788 1.00 0.00 C ATOM 705 CG1 VAL A 44 9.032 -2.188 7.954 1.00 0.00 C ATOM 706 CG2 VAL A 44 7.423 -4.102 8.093 1.00 0.00 C ATOM 0 H VAL A 44 9.190 -6.207 6.620 1.00 0.00 H new ATOM 0 HA VAL A 44 8.790 -3.452 5.644 1.00 0.00 H new ATOM 0 HB VAL A 44 9.513 -4.189 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.747 -1.898 8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.075 -1.923 7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.401 -1.666 7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.160 -3.785 9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.748 -3.632 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.333 -5.186 8.018 1.00 0.00 H new ATOM 716 N SER A 45 11.386 -5.196 5.945 1.00 0.00 N ATOM 717 CA SER A 45 12.835 -5.262 5.789 1.00 0.00 C ATOM 718 C SER A 45 13.229 -6.399 4.851 1.00 0.00 C ATOM 719 O SER A 45 12.887 -7.558 5.084 1.00 0.00 O ATOM 720 CB SER A 45 13.507 -5.452 7.150 1.00 0.00 C ATOM 721 OG SER A 45 12.899 -6.506 7.876 1.00 0.00 O ATOM 0 H SER A 45 10.907 -6.088 5.821 1.00 0.00 H new ATOM 0 HA SER A 45 13.172 -4.322 5.353 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.566 -5.667 7.009 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.443 -4.527 7.723 1.00 0.00 H new ATOM 0 HG SER A 45 12.753 -7.271 7.281 1.00 0.00 H new ATOM 727 N CYS A 46 13.951 -6.058 3.789 1.00 0.00 N ATOM 728 CA CYS A 46 14.392 -7.047 2.814 1.00 0.00 C ATOM 729 C CYS A 46 15.091 -8.216 3.504 1.00 0.00 C ATOM 730 O CYS A 46 16.204 -8.092 4.015 1.00 0.00 O ATOM 731 CB CYS A 46 15.336 -6.405 1.795 1.00 0.00 C ATOM 732 SG CYS A 46 14.489 -5.652 0.369 1.00 0.00 S ATOM 0 H CYS A 46 14.243 -5.103 3.582 1.00 0.00 H new ATOM 0 HA CYS A 46 13.512 -7.426 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 46 15.930 -5.641 2.297 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.032 -7.162 1.433 1.00 0.00 H new ATOM 737 N PRO A 47 14.422 -9.379 3.519 1.00 0.00 N ATOM 738 CA PRO A 47 14.959 -10.593 4.141 1.00 0.00 C ATOM 739 C PRO A 47 16.139 -11.168 3.366 1.00 0.00 C ATOM 740 O PRO A 47 16.656 -10.539 2.443 1.00 0.00 O ATOM 741 CB PRO A 47 13.775 -11.561 4.109 1.00 0.00 C ATOM 742 CG PRO A 47 12.933 -11.093 2.973 1.00 0.00 C ATOM 743 CD PRO A 47 13.091 -9.599 2.928 1.00 0.00 C ATOM 0 HA PRO A 47 15.344 -10.402 5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 47 14.107 -12.588 3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 47 13.221 -11.540 5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.254 -11.548 2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.889 -11.371 3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.037 -9.220 1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.310 -9.095 3.497 1.00 0.00 H new ATOM 751 N LYS A 48 16.562 -12.369 3.747 1.00 0.00 N ATOM 752 CA LYS A 48 17.681 -13.032 3.087 1.00 0.00 C ATOM 753 C LYS A 48 17.341 -14.484 2.767 1.00 0.00 C ATOM 754 O LYS A 48 16.301 -14.994 3.183 1.00 0.00 O ATOM 755 CB LYS A 48 18.929 -12.971 3.970 1.00 0.00 C ATOM 756 CG LYS A 48 18.984 -14.066 5.022 1.00 0.00 C ATOM 757 CD LYS A 48 17.802 -13.984 5.974 1.00 0.00 C ATOM 758 CE LYS A 48 18.095 -14.690 7.288 1.00 0.00 C ATOM 759 NZ LYS A 48 18.379 -16.138 7.088 1.00 0.00 N ATOM 0 H LYS A 48 16.146 -12.903 4.510 1.00 0.00 H new ATOM 0 HA LYS A 48 17.880 -12.510 2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.815 -13.041 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.966 -12.001 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.992 -15.041 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.913 -13.984 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.561 -12.939 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.925 -14.432 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.949 -14.216 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.244 -14.576 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.490 -16.601 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.590 -16.579 6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.255 -16.247 6.539 1.00 0.00 H new ATOM 773 N ALA A 49 18.226 -15.145 2.028 1.00 0.00 N ATOM 774 CA ALA A 49 18.021 -16.539 1.656 1.00 0.00 C ATOM 775 C ALA A 49 19.345 -17.220 1.328 1.00 0.00 C ATOM 776 O ALA A 49 20.416 -16.647 1.527 1.00 0.00 O ATOM 777 CB ALA A 49 17.068 -16.636 0.474 1.00 0.00 C ATOM 0 H ALA A 49 19.092 -14.737 1.675 1.00 0.00 H new ATOM 0 HA ALA A 49 17.578 -17.055 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.924 -17.683 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.108 -16.195 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.488 -16.099 -0.377 1.00 0.00 H new ATOM 783 N LYS A 50 19.265 -18.447 0.824 1.00 0.00 N ATOM 784 CA LYS A 50 20.457 -19.208 0.468 1.00 0.00 C ATOM 785 C LYS A 50 20.935 -18.843 -0.934 1.00 0.00 C ATOM 786 O LYS A 50 20.190 -18.297 -1.748 1.00 0.00 O ATOM 787 CB LYS A 50 20.172 -20.709 0.546 1.00 0.00 C ATOM 788 CG LYS A 50 20.433 -21.307 1.918 1.00 0.00 C ATOM 789 CD LYS A 50 20.443 -22.826 1.872 1.00 0.00 C ATOM 790 CE LYS A 50 20.098 -23.426 3.226 1.00 0.00 C ATOM 791 NZ LYS A 50 21.237 -23.332 4.181 1.00 0.00 N ATOM 0 H LYS A 50 18.386 -18.936 0.653 1.00 0.00 H new ATOM 0 HA LYS A 50 21.244 -18.957 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.132 -20.888 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.788 -21.226 -0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.390 -20.947 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.667 -20.968 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.728 -23.173 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.427 -23.175 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.232 -22.911 3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.816 -24.471 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.962 -23.752 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.056 -23.845 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.490 -22.333 4.322 1.00 0.00 H new ATOM 805 N PRO A 51 22.207 -19.153 -1.226 1.00 0.00 N ATOM 806 CA PRO A 51 22.813 -18.869 -2.530 1.00 0.00 C ATOM 807 C PRO A 51 22.242 -19.748 -3.638 1.00 0.00 C ATOM 808 O PRO A 51 22.457 -19.489 -4.821 1.00 0.00 O ATOM 809 CB PRO A 51 24.295 -19.182 -2.309 1.00 0.00 C ATOM 810 CG PRO A 51 24.312 -20.167 -1.191 1.00 0.00 C ATOM 811 CD PRO A 51 23.153 -19.805 -0.304 1.00 0.00 C ATOM 0 HA PRO A 51 22.624 -17.845 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.750 -19.596 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.856 -18.283 -2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 51 24.213 -21.186 -1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 51 25.253 -20.119 -0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.715 -20.686 0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.457 -19.135 0.500 1.00 0.00 H new ATOM 819 N ASN A 52 21.514 -20.788 -3.245 1.00 0.00 N ATOM 820 CA ASN A 52 20.912 -21.706 -4.206 1.00 0.00 C ATOM 821 C ASN A 52 19.551 -21.194 -4.668 1.00 0.00 C ATOM 822 O ASN A 52 19.265 -21.160 -5.865 1.00 0.00 O ATOM 823 CB ASN A 52 20.763 -23.098 -3.588 1.00 0.00 C ATOM 824 CG ASN A 52 22.066 -23.617 -3.011 1.00 0.00 C ATOM 825 OD1 ASN A 52 22.892 -24.184 -3.725 1.00 0.00 O ATOM 826 ND2 ASN A 52 22.254 -23.424 -1.710 1.00 0.00 N ATOM 0 H ASN A 52 21.327 -21.016 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 52 21.570 -21.769 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 52 20.009 -23.065 -2.802 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.403 -23.793 -4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 52 23.111 -23.751 -1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.541 -22.948 -1.157 1.00 0.00 H new ATOM 833 N GLU A 53 18.718 -20.798 -3.712 1.00 0.00 N ATOM 834 CA GLU A 53 17.387 -20.288 -4.022 1.00 0.00 C ATOM 835 C GLU A 53 17.464 -18.871 -4.583 1.00 0.00 C ATOM 836 O GLU A 53 18.543 -18.284 -4.674 1.00 0.00 O ATOM 837 CB GLU A 53 16.506 -20.305 -2.771 1.00 0.00 C ATOM 838 CG GLU A 53 16.843 -19.209 -1.774 1.00 0.00 C ATOM 839 CD GLU A 53 16.274 -19.481 -0.395 1.00 0.00 C ATOM 840 OE1 GLU A 53 16.966 -20.133 0.415 1.00 0.00 O ATOM 841 OE2 GLU A 53 15.137 -19.040 -0.125 1.00 0.00 O ATOM 0 H GLU A 53 18.940 -20.820 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 53 16.945 -20.936 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.463 -20.204 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.605 -21.273 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.926 -19.108 -1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.458 -18.258 -2.141 1.00 0.00 H new ATOM 848 N THR A 54 16.312 -18.327 -4.961 1.00 0.00 N ATOM 849 CA THR A 54 16.248 -16.980 -5.515 1.00 0.00 C ATOM 850 C THR A 54 15.239 -16.122 -4.759 1.00 0.00 C ATOM 851 O THR A 54 14.162 -16.591 -4.391 1.00 0.00 O ATOM 852 CB THR A 54 15.867 -17.004 -7.007 1.00 0.00 C ATOM 853 OG1 THR A 54 16.594 -18.038 -7.681 1.00 0.00 O ATOM 854 CG2 THR A 54 16.159 -15.663 -7.662 1.00 0.00 C ATOM 0 H THR A 54 15.410 -18.799 -4.894 1.00 0.00 H new ATOM 0 HA THR A 54 17.242 -16.547 -5.408 1.00 0.00 H new ATOM 0 HB THR A 54 14.798 -17.202 -7.083 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.016 -18.461 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.882 -15.705 -8.715 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.583 -14.882 -7.166 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.222 -15.440 -7.575 1.00 0.00 H new ATOM 862 N VAL A 55 15.595 -14.862 -4.531 1.00 0.00 N ATOM 863 CA VAL A 55 14.720 -13.937 -3.821 1.00 0.00 C ATOM 864 C VAL A 55 14.759 -12.549 -4.451 1.00 0.00 C ATOM 865 O VAL A 55 15.806 -12.097 -4.914 1.00 0.00 O ATOM 866 CB VAL A 55 15.110 -13.825 -2.335 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.226 -12.811 -1.625 1.00 0.00 C ATOM 868 CG2 VAL A 55 15.024 -15.185 -1.658 1.00 0.00 C ATOM 0 H VAL A 55 16.483 -14.458 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 55 13.709 -14.338 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 55 16.141 -13.478 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.517 -12.746 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.342 -11.835 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.184 -13.125 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.303 -15.087 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.004 -15.563 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.703 -15.880 -2.151 1.00 0.00 H new ATOM 878 N GLN A 56 13.612 -11.879 -4.464 1.00 0.00 N ATOM 879 CA GLN A 56 13.515 -10.542 -5.038 1.00 0.00 C ATOM 880 C GLN A 56 12.601 -9.654 -4.200 1.00 0.00 C ATOM 881 O GLN A 56 11.389 -9.866 -4.150 1.00 0.00 O ATOM 882 CB GLN A 56 12.996 -10.617 -6.475 1.00 0.00 C ATOM 883 CG GLN A 56 13.710 -11.655 -7.326 1.00 0.00 C ATOM 884 CD GLN A 56 13.026 -13.007 -7.293 1.00 0.00 C ATOM 885 OE1 GLN A 56 13.739 -14.020 -6.813 1.00 0.00 O flip ATOM 886 NE2 GLN A 56 11.870 -13.141 -7.694 1.00 0.00 N flip ATOM 0 H GLN A 56 12.737 -12.240 -4.084 1.00 0.00 H new ATOM 0 HA GLN A 56 14.513 -10.103 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.930 -10.845 -6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.104 -9.639 -6.943 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.760 -11.302 -8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.737 -11.763 -6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.359 -12.336 -8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.423 -14.058 -7.665 1.00 0.00 H new ATOM 895 N CYS A 57 13.189 -8.660 -3.543 1.00 0.00 N ATOM 896 CA CYS A 57 12.428 -7.741 -2.706 1.00 0.00 C ATOM 897 C CYS A 57 12.394 -6.345 -3.323 1.00 0.00 C ATOM 898 O CYS A 57 13.334 -5.931 -4.002 1.00 0.00 O ATOM 899 CB CYS A 57 13.034 -7.675 -1.303 1.00 0.00 C ATOM 900 SG CYS A 57 14.642 -6.822 -1.226 1.00 0.00 S ATOM 0 H CYS A 57 14.191 -8.470 -3.574 1.00 0.00 H new ATOM 0 HA CYS A 57 11.406 -8.114 -2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.334 -7.167 -0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.154 -8.689 -0.923 1.00 0.00 H new ATOM 905 N CYS A 58 11.304 -5.624 -3.082 1.00 0.00 N ATOM 906 CA CYS A 58 11.145 -4.276 -3.613 1.00 0.00 C ATOM 907 C CYS A 58 10.523 -3.351 -2.572 1.00 0.00 C ATOM 908 O CYS A 58 9.676 -3.769 -1.782 1.00 0.00 O ATOM 909 CB CYS A 58 10.278 -4.300 -4.873 1.00 0.00 C ATOM 910 SG CYS A 58 11.213 -4.098 -6.424 1.00 0.00 S ATOM 0 H CYS A 58 10.517 -5.952 -2.522 1.00 0.00 H new ATOM 0 HA CYS A 58 12.134 -3.894 -3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.735 -5.244 -4.909 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.534 -3.507 -4.804 1.00 0.00 H new ATOM 915 N SER A 59 10.949 -2.092 -2.576 1.00 0.00 N ATOM 916 CA SER A 59 10.436 -1.108 -1.630 1.00 0.00 C ATOM 917 C SER A 59 9.854 0.097 -2.361 1.00 0.00 C ATOM 918 O SER A 59 9.822 1.207 -1.828 1.00 0.00 O ATOM 919 CB SER A 59 11.547 -0.655 -0.681 1.00 0.00 C ATOM 920 OG SER A 59 12.775 -1.291 -0.992 1.00 0.00 O ATOM 0 H SER A 59 11.648 -1.729 -3.224 1.00 0.00 H new ATOM 0 HA SER A 59 9.641 -1.578 -1.050 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.667 0.426 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.266 -0.883 0.347 1.00 0.00 H new ATOM 0 HG SER A 59 13.469 -0.983 -0.372 1.00 0.00 H new ATOM 926 N THR A 60 9.393 -0.129 -3.588 1.00 0.00 N ATOM 927 CA THR A 60 8.812 0.937 -4.394 1.00 0.00 C ATOM 928 C THR A 60 7.506 0.489 -5.040 1.00 0.00 C ATOM 929 O THR A 60 7.255 -0.707 -5.190 1.00 0.00 O ATOM 930 CB THR A 60 9.783 1.401 -5.496 1.00 0.00 C ATOM 931 OG1 THR A 60 10.824 0.432 -5.671 1.00 0.00 O ATOM 932 CG2 THR A 60 10.393 2.750 -5.148 1.00 0.00 C ATOM 0 H THR A 60 9.411 -1.041 -4.045 1.00 0.00 H new ATOM 0 HA THR A 60 8.614 1.770 -3.720 1.00 0.00 H new ATOM 0 HB THR A 60 9.221 1.503 -6.425 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.436 0.733 -6.374 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.075 3.056 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.601 3.492 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.941 2.670 -4.209 1.00 0.00 H new ATOM 940 N ASP A 61 6.677 1.456 -5.420 1.00 0.00 N ATOM 941 CA ASP A 61 5.397 1.160 -6.052 1.00 0.00 C ATOM 942 C ASP A 61 5.599 0.619 -7.464 1.00 0.00 C ATOM 943 O ASP A 61 6.386 1.160 -8.241 1.00 0.00 O ATOM 944 CB ASP A 61 4.523 2.415 -6.093 1.00 0.00 C ATOM 945 CG ASP A 61 5.132 3.516 -6.938 1.00 0.00 C ATOM 946 OD1 ASP A 61 6.093 4.161 -6.469 1.00 0.00 O ATOM 947 OD2 ASP A 61 4.646 3.735 -8.068 1.00 0.00 O ATOM 0 H ASP A 61 6.869 2.451 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 61 4.895 0.396 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.541 2.158 -6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.371 2.782 -5.078 1.00 0.00 H new ATOM 952 N LYS A 62 4.884 -0.453 -7.789 1.00 0.00 N ATOM 953 CA LYS A 62 4.984 -1.069 -9.107 1.00 0.00 C ATOM 954 C LYS A 62 6.399 -1.575 -9.365 1.00 0.00 C ATOM 955 O LYS A 62 6.780 -1.829 -10.508 1.00 0.00 O ATOM 956 CB LYS A 62 4.583 -0.067 -10.192 1.00 0.00 C ATOM 957 CG LYS A 62 3.132 -0.185 -10.623 1.00 0.00 C ATOM 958 CD LYS A 62 2.188 0.340 -9.553 1.00 0.00 C ATOM 959 CE LYS A 62 0.855 0.769 -10.148 1.00 0.00 C ATOM 960 NZ LYS A 62 1.006 1.931 -11.066 1.00 0.00 N ATOM 0 H LYS A 62 4.229 -0.913 -7.157 1.00 0.00 H new ATOM 0 HA LYS A 62 4.303 -1.919 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.763 0.944 -9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.224 -0.210 -11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.980 0.371 -11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.898 -1.228 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.021 -0.433 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.649 1.186 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.413 -0.067 -10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.165 1.028 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.108 2.453 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.753 2.561 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.263 1.592 -12.015 1.00 0.00 H new ATOM 974 N CYS A 63 7.174 -1.722 -8.296 1.00 0.00 N ATOM 975 CA CYS A 63 8.547 -2.199 -8.406 1.00 0.00 C ATOM 976 C CYS A 63 8.597 -3.724 -8.371 1.00 0.00 C ATOM 977 O CYS A 63 9.181 -4.356 -9.251 1.00 0.00 O ATOM 978 CB CYS A 63 9.402 -1.624 -7.274 1.00 0.00 C ATOM 979 SG CYS A 63 11.085 -2.315 -7.189 1.00 0.00 S ATOM 0 H CYS A 63 6.874 -1.517 -7.343 1.00 0.00 H new ATOM 0 HA CYS A 63 8.947 -1.861 -9.362 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.470 -0.543 -7.398 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.898 -1.805 -6.325 1.00 0.00 H new ATOM 984 N ASN A 64 7.981 -4.308 -7.348 1.00 0.00 N ATOM 985 CA ASN A 64 7.955 -5.758 -7.198 1.00 0.00 C ATOM 986 C ASN A 64 7.480 -6.429 -8.484 1.00 0.00 C ATOM 987 O ASN A 64 6.304 -6.353 -8.839 1.00 0.00 O ATOM 988 CB ASN A 64 7.044 -6.155 -6.036 1.00 0.00 C ATOM 989 CG ASN A 64 7.579 -7.343 -5.261 1.00 0.00 C ATOM 990 OD1 ASN A 64 8.788 -7.483 -5.074 1.00 0.00 O ATOM 991 ND2 ASN A 64 6.679 -8.207 -4.805 1.00 0.00 N ATOM 0 H ASN A 64 7.493 -3.799 -6.611 1.00 0.00 H new ATOM 0 HA ASN A 64 8.970 -6.095 -6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.930 -5.306 -5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.052 -6.392 -6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.980 -9.026 -4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.687 -8.052 -4.983 1.00 0.00 H new ATOM 998 N LYS A 65 8.403 -7.088 -9.176 1.00 0.00 N ATOM 999 CA LYS A 65 8.080 -7.776 -10.421 1.00 0.00 C ATOM 1000 C LYS A 65 8.101 -9.288 -10.228 1.00 0.00 C ATOM 1001 O LYS A 65 7.597 -10.038 -11.066 1.00 0.00 O ATOM 1002 CB LYS A 65 9.069 -7.377 -11.519 1.00 0.00 C ATOM 1003 CG LYS A 65 10.503 -7.781 -11.222 1.00 0.00 C ATOM 1004 CD LYS A 65 11.309 -6.616 -10.673 1.00 0.00 C ATOM 1005 CE LYS A 65 11.869 -5.750 -11.791 1.00 0.00 C ATOM 1006 NZ LYS A 65 13.013 -6.407 -12.481 1.00 0.00 N ATOM 0 H LYS A 65 9.381 -7.160 -8.896 1.00 0.00 H new ATOM 0 HA LYS A 65 7.075 -7.480 -10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.759 -7.834 -12.459 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.026 -6.297 -11.660 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.510 -8.600 -10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.973 -8.153 -12.132 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.678 -6.010 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.127 -6.995 -10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.082 -5.537 -12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.193 -4.793 -11.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.514 -5.708 -13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.666 -6.799 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.659 -7.174 -13.087 1.00 0.00 H new TER 1020 LYS A 65