USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 684 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -5.33! C(o=-5.3!,f=-10!) USER MOD Single : A 17 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 165:sc= -2.32! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -124:sc= -2.03 (180deg=-3.66!) USER MOD Single : A 43 GLN : amide:sc= -0.82 X(o=-0.82,f=-0.8) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.06 K(o=-0.06,f=-0.82) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.52! C(o=-2.5!,f=-5.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.324 X(o=0.32,f=0) USER MOD Single : A 69 MET CE :methyl 141:sc= -2.32! (180deg=-6.16!) USER MOD Single : A 72 GLN : amide:sc= 0.592 K(o=0.59,f=-0.0094) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.3!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.818 -4.987 -3.798 1.00 0.00 N ATOM 2 CA GLY A 1 -12.221 -6.225 -4.268 1.00 0.00 C ATOM 3 C GLY A 1 -11.811 -6.113 -5.738 1.00 0.00 C ATOM 4 O GLY A 1 -12.590 -5.650 -6.570 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.087 -5.089 -2.799 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.131 -4.212 -3.894 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.664 -4.772 -4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.348 -6.465 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.930 -7.044 -4.146 1.00 0.00 H new ATOM 8 N SER A 2 -10.589 -6.546 -6.013 1.00 0.00 N ATOM 9 CA SER A 2 -10.066 -6.500 -7.368 1.00 0.00 C ATOM 10 C SER A 2 -8.931 -7.513 -7.525 1.00 0.00 C ATOM 11 O SER A 2 -8.028 -7.573 -6.692 1.00 0.00 O ATOM 12 CB SER A 2 -9.577 -5.095 -7.722 1.00 0.00 C ATOM 13 OG SER A 2 -8.702 -4.568 -6.728 1.00 0.00 O ATOM 0 H SER A 2 -9.946 -6.930 -5.321 1.00 0.00 H new ATOM 0 HA SER A 2 -10.872 -6.758 -8.055 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.061 -5.122 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.434 -4.432 -7.839 1.00 0.00 H new ATOM 0 HG SER A 2 -8.410 -3.670 -6.992 1.00 0.00 H new ATOM 19 N SER A 3 -9.013 -8.284 -8.599 1.00 0.00 N ATOM 20 CA SER A 3 -8.003 -9.292 -8.876 1.00 0.00 C ATOM 21 C SER A 3 -8.194 -9.849 -10.289 1.00 0.00 C ATOM 22 O SER A 3 -9.245 -9.658 -10.899 1.00 0.00 O ATOM 23 CB SER A 3 -8.057 -10.423 -7.848 1.00 0.00 C ATOM 24 OG SER A 3 -9.292 -11.133 -7.899 1.00 0.00 O ATOM 0 H SER A 3 -9.763 -8.231 -9.288 1.00 0.00 H new ATOM 0 HA SER A 3 -7.022 -8.822 -8.807 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.234 -11.115 -8.026 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.917 -10.011 -6.849 1.00 0.00 H new ATOM 0 HG SER A 3 -9.286 -11.848 -7.229 1.00 0.00 H new ATOM 30 N GLY A 4 -7.161 -10.527 -10.767 1.00 0.00 N ATOM 31 CA GLY A 4 -7.201 -11.113 -12.096 1.00 0.00 C ATOM 32 C GLY A 4 -5.838 -11.010 -12.783 1.00 0.00 C ATOM 33 O GLY A 4 -5.387 -9.914 -13.114 1.00 0.00 O ATOM 0 H GLY A 4 -6.291 -10.684 -10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.499 -12.159 -12.027 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.955 -10.606 -12.698 1.00 0.00 H new ATOM 37 N SER A 5 -5.220 -12.166 -12.976 1.00 0.00 N ATOM 38 CA SER A 5 -3.917 -12.219 -13.617 1.00 0.00 C ATOM 39 C SER A 5 -2.877 -11.508 -12.749 1.00 0.00 C ATOM 40 O SER A 5 -3.230 -10.741 -11.854 1.00 0.00 O ATOM 41 CB SER A 5 -3.963 -11.592 -15.012 1.00 0.00 C ATOM 42 OG SER A 5 -3.364 -12.432 -15.995 1.00 0.00 O ATOM 0 H SER A 5 -5.597 -13.073 -12.700 1.00 0.00 H new ATOM 0 HA SER A 5 -3.633 -13.266 -13.728 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.999 -11.395 -15.287 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.449 -10.631 -14.995 1.00 0.00 H new ATOM 0 HG SER A 5 -3.415 -11.997 -16.872 1.00 0.00 H new ATOM 48 N SER A 6 -1.616 -11.787 -13.044 1.00 0.00 N ATOM 49 CA SER A 6 -0.522 -11.183 -12.302 1.00 0.00 C ATOM 50 C SER A 6 -0.839 -9.716 -12.005 1.00 0.00 C ATOM 51 O SER A 6 -1.362 -9.004 -12.861 1.00 0.00 O ATOM 52 CB SER A 6 0.795 -11.296 -13.072 1.00 0.00 C ATOM 53 OG SER A 6 0.897 -10.317 -14.102 1.00 0.00 O ATOM 0 H SER A 6 -1.327 -12.423 -13.787 1.00 0.00 H new ATOM 0 HA SER A 6 -0.408 -11.722 -11.361 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.630 -11.183 -12.381 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.875 -12.291 -13.509 1.00 0.00 H new ATOM 0 HG SER A 6 1.752 -10.421 -14.569 1.00 0.00 H new ATOM 59 N GLY A 7 -0.508 -9.306 -10.789 1.00 0.00 N ATOM 60 CA GLY A 7 -0.751 -7.937 -10.369 1.00 0.00 C ATOM 61 C GLY A 7 -0.029 -7.631 -9.054 1.00 0.00 C ATOM 62 O GLY A 7 0.424 -8.542 -8.364 1.00 0.00 O ATOM 0 H GLY A 7 -0.073 -9.898 -10.081 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.411 -7.249 -11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.822 -7.775 -10.246 1.00 0.00 H new ATOM 66 N PRO A 8 0.057 -6.310 -8.740 1.00 0.00 N ATOM 67 CA PRO A 8 0.715 -5.873 -7.521 1.00 0.00 C ATOM 68 C PRO A 8 -0.161 -6.143 -6.297 1.00 0.00 C ATOM 69 O PRO A 8 0.348 -6.428 -5.214 1.00 0.00 O ATOM 70 CB PRO A 8 0.997 -4.394 -7.735 1.00 0.00 C ATOM 71 CG PRO A 8 0.078 -3.954 -8.863 1.00 0.00 C ATOM 72 CD PRO A 8 -0.469 -5.203 -9.534 1.00 0.00 C ATOM 0 HA PRO A 8 1.639 -6.417 -7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.802 -3.824 -6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.042 -4.229 -7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.736 -3.342 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.623 -3.342 -9.582 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.559 -5.204 -9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.143 -5.270 -10.572 1.00 0.00 H new ATOM 80 N ILE A 9 -1.465 -6.042 -6.509 1.00 0.00 N ATOM 81 CA ILE A 9 -2.418 -6.272 -5.436 1.00 0.00 C ATOM 82 C ILE A 9 -2.383 -7.749 -5.036 1.00 0.00 C ATOM 83 O ILE A 9 -1.851 -8.098 -3.983 1.00 0.00 O ATOM 84 CB ILE A 9 -3.809 -5.777 -5.839 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.744 -4.352 -6.391 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.792 -5.897 -4.673 1.00 0.00 C ATOM 87 CD1 ILE A 9 -5.131 -3.867 -6.820 1.00 0.00 C ATOM 0 H ILE A 9 -1.884 -5.804 -7.408 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.143 -5.695 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.181 -6.416 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.339 -3.682 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.064 -4.318 -7.242 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.773 -5.539 -4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.867 -6.940 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.437 -5.298 -3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.057 -2.851 -7.209 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.523 -4.525 -7.596 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.802 -3.879 -5.961 1.00 0.00 H new ATOM 99 N SER A 10 -2.956 -8.576 -5.898 1.00 0.00 N ATOM 100 CA SER A 10 -2.997 -10.007 -5.648 1.00 0.00 C ATOM 101 C SER A 10 -1.672 -10.469 -5.037 1.00 0.00 C ATOM 102 O SER A 10 -1.660 -11.145 -4.010 1.00 0.00 O ATOM 103 CB SER A 10 -3.288 -10.783 -6.934 1.00 0.00 C ATOM 104 OG SER A 10 -4.534 -11.471 -6.871 1.00 0.00 O ATOM 0 H SER A 10 -3.396 -8.283 -6.770 1.00 0.00 H new ATOM 0 HA SER A 10 -3.805 -10.209 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.296 -10.095 -7.779 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.487 -11.500 -7.114 1.00 0.00 H new ATOM 0 HG SER A 10 -4.684 -11.953 -7.711 1.00 0.00 H new ATOM 110 N ARG A 11 -0.588 -10.087 -5.696 1.00 0.00 N ATOM 111 CA ARG A 11 0.739 -10.454 -5.231 1.00 0.00 C ATOM 112 C ARG A 11 0.918 -10.052 -3.766 1.00 0.00 C ATOM 113 O ARG A 11 1.406 -10.840 -2.958 1.00 0.00 O ATOM 114 CB ARG A 11 1.824 -9.780 -6.074 1.00 0.00 C ATOM 115 CG ARG A 11 3.210 -10.317 -5.715 1.00 0.00 C ATOM 116 CD ARG A 11 4.162 -10.221 -6.909 1.00 0.00 C ATOM 117 NE ARG A 11 5.555 -10.450 -6.465 1.00 0.00 N ATOM 118 CZ ARG A 11 6.052 -11.652 -6.141 1.00 0.00 C ATOM 119 NH1 ARG A 11 5.273 -12.740 -6.209 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.329 -11.765 -5.748 1.00 0.00 N ATOM 0 H ARG A 11 -0.601 -9.527 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 11 0.838 -11.535 -5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.626 -9.952 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.796 -8.702 -5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.616 -9.753 -4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.129 -11.355 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.887 -10.957 -7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.077 -9.239 -7.375 1.00 0.00 H new ATOM 0 HE ARG A 11 6.176 -9.643 -6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.301 -12.654 -6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.652 -13.654 -5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.922 -10.937 -5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.708 -12.679 -5.501 1.00 0.00 H new ATOM 134 N LEU A 12 0.513 -8.826 -3.468 1.00 0.00 N ATOM 135 CA LEU A 12 0.623 -8.310 -2.114 1.00 0.00 C ATOM 136 C LEU A 12 -0.304 -9.106 -1.193 1.00 0.00 C ATOM 137 O LEU A 12 0.118 -9.571 -0.135 1.00 0.00 O ATOM 138 CB LEU A 12 0.363 -6.802 -2.093 1.00 0.00 C ATOM 139 CG LEU A 12 1.048 -6.019 -0.971 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.237 -4.778 -0.594 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.318 -6.917 0.238 1.00 0.00 C ATOM 0 H LEU A 12 0.108 -8.175 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 12 1.637 -8.441 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.683 -6.385 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.712 -6.640 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 12 2.015 -5.672 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.746 -4.240 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.140 -4.129 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.754 -5.080 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.805 -6.336 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.375 -7.314 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.966 -7.742 -0.059 1.00 0.00 H new ATOM 153 N ALA A 13 -1.548 -9.238 -1.628 1.00 0.00 N ATOM 154 CA ALA A 13 -2.537 -9.970 -0.856 1.00 0.00 C ATOM 155 C ALA A 13 -2.035 -11.395 -0.612 1.00 0.00 C ATOM 156 O ALA A 13 -2.157 -11.919 0.494 1.00 0.00 O ATOM 157 CB ALA A 13 -3.880 -9.943 -1.589 1.00 0.00 C ATOM 0 H ALA A 13 -1.894 -8.850 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.687 -9.502 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.622 -10.492 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.207 -8.910 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.769 -10.407 -2.569 1.00 0.00 H new ATOM 163 N GLN A 14 -1.482 -11.981 -1.663 1.00 0.00 N ATOM 164 CA GLN A 14 -0.961 -13.335 -1.577 1.00 0.00 C ATOM 165 C GLN A 14 0.164 -13.406 -0.542 1.00 0.00 C ATOM 166 O GLN A 14 0.383 -14.449 0.072 1.00 0.00 O ATOM 167 CB GLN A 14 -0.480 -13.826 -2.944 1.00 0.00 C ATOM 168 CG GLN A 14 -1.630 -14.449 -3.738 1.00 0.00 C ATOM 169 CD GLN A 14 -1.161 -15.693 -4.496 1.00 0.00 C ATOM 170 OE1 GLN A 14 -1.339 -16.819 -4.062 1.00 0.00 O ATOM 171 NE2 GLN A 14 -0.555 -15.427 -5.650 1.00 0.00 N ATOM 0 H GLN A 14 -1.383 -11.543 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.767 -13.994 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.055 -12.993 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.315 -14.560 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.442 -14.715 -3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.029 -13.718 -4.442 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.439 -14.460 -5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.206 -16.190 -6.231 1.00 0.00 H new ATOM 180 N ILE A 15 0.848 -12.283 -0.380 1.00 0.00 N ATOM 181 CA ILE A 15 1.945 -12.204 0.569 1.00 0.00 C ATOM 182 C ILE A 15 1.380 -12.045 1.982 1.00 0.00 C ATOM 183 O ILE A 15 1.935 -12.579 2.941 1.00 0.00 O ATOM 184 CB ILE A 15 2.922 -11.097 0.169 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.609 -11.426 -1.158 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.932 -10.827 1.286 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.105 -10.154 -1.848 1.00 0.00 C ATOM 0 H ILE A 15 0.663 -11.420 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 15 2.525 -13.127 0.559 1.00 0.00 H new ATOM 0 HB ILE A 15 2.355 -10.178 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.448 -12.099 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.913 -11.951 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.615 -10.036 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.403 -10.517 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.499 -11.735 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.589 -10.416 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.260 -9.494 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.819 -9.644 -1.202 1.00 0.00 H new ATOM 199 N GLN A 16 0.283 -11.306 2.066 1.00 0.00 N ATOM 200 CA GLN A 16 -0.363 -11.070 3.346 1.00 0.00 C ATOM 201 C GLN A 16 -0.924 -12.378 3.908 1.00 0.00 C ATOM 202 O GLN A 16 -0.966 -12.568 5.122 1.00 0.00 O ATOM 203 CB GLN A 16 -1.462 -10.012 3.218 1.00 0.00 C ATOM 204 CG GLN A 16 -0.888 -8.682 2.728 1.00 0.00 C ATOM 205 CD GLN A 16 0.490 -8.420 3.339 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.463 -8.155 2.652 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.518 -8.508 4.666 1.00 0.00 N ATOM 0 H GLN A 16 -0.174 -10.863 1.269 1.00 0.00 H new ATOM 0 HA GLN A 16 0.384 -10.689 4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.227 -10.360 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.948 -9.869 4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.811 -8.694 1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.566 -7.870 2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.333 -8.734 5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.391 -8.350 5.169 1.00 0.00 H new ATOM 216 N GLN A 17 -1.339 -13.246 2.997 1.00 0.00 N ATOM 217 CA GLN A 17 -1.896 -14.530 3.386 1.00 0.00 C ATOM 218 C GLN A 17 -0.784 -15.573 3.513 1.00 0.00 C ATOM 219 O GLN A 17 -0.780 -16.371 4.450 1.00 0.00 O ATOM 220 CB GLN A 17 -2.966 -14.988 2.394 1.00 0.00 C ATOM 221 CG GLN A 17 -2.343 -15.776 1.240 1.00 0.00 C ATOM 222 CD GLN A 17 -3.402 -16.166 0.207 1.00 0.00 C ATOM 223 OE1 GLN A 17 -3.710 -17.329 0.004 1.00 0.00 O ATOM 224 NE2 GLN A 17 -3.940 -15.132 -0.433 1.00 0.00 N ATOM 0 H GLN A 17 -1.301 -13.085 1.991 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.375 -14.416 4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.701 -15.608 2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.498 -14.121 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.568 -15.177 0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.860 -16.673 1.627 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.636 -14.183 -0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.656 -15.288 -1.142 1.00 0.00 H new ATOM 233 N ALA A 18 0.133 -15.534 2.557 1.00 0.00 N ATOM 234 CA ALA A 18 1.248 -16.466 2.550 1.00 0.00 C ATOM 235 C ALA A 18 2.081 -16.268 3.818 1.00 0.00 C ATOM 236 O ALA A 18 2.685 -17.213 4.322 1.00 0.00 O ATOM 237 CB ALA A 18 2.070 -16.269 1.276 1.00 0.00 C ATOM 0 H ALA A 18 0.126 -14.871 1.782 1.00 0.00 H new ATOM 0 HA ALA A 18 0.888 -17.495 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.906 -16.968 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.440 -16.450 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.450 -15.248 1.243 1.00 0.00 H new ATOM 243 N ARG A 19 2.085 -15.032 4.298 1.00 0.00 N ATOM 244 CA ARG A 19 2.834 -14.698 5.497 1.00 0.00 C ATOM 245 C ARG A 19 2.008 -15.016 6.745 1.00 0.00 C ATOM 246 O ARG A 19 2.552 -15.134 7.841 1.00 0.00 O ATOM 247 CB ARG A 19 3.218 -13.217 5.512 1.00 0.00 C ATOM 248 CG ARG A 19 4.391 -12.945 4.568 1.00 0.00 C ATOM 249 CD ARG A 19 4.772 -11.463 4.580 1.00 0.00 C ATOM 250 NE ARG A 19 6.244 -11.320 4.650 1.00 0.00 N ATOM 251 CZ ARG A 19 6.958 -11.449 5.776 1.00 0.00 C ATOM 252 NH1 ARG A 19 6.342 -11.725 6.933 1.00 0.00 N ATOM 253 NH2 ARG A 19 8.290 -11.303 5.745 1.00 0.00 N ATOM 0 H ARG A 19 1.581 -14.251 3.878 1.00 0.00 H new ATOM 0 HA ARG A 19 3.744 -15.298 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.361 -12.612 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.485 -12.917 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.249 -13.547 4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.125 -13.248 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.393 -10.974 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.309 -10.967 5.433 1.00 0.00 H new ATOM 0 HE ARG A 19 6.746 -11.110 3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.328 -11.837 6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.886 -11.823 7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.760 -11.094 4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.834 -11.401 6.602 1.00 0.00 H new ATOM 267 N LYS A 20 0.706 -15.145 6.536 1.00 0.00 N ATOM 268 CA LYS A 20 -0.201 -15.447 7.630 1.00 0.00 C ATOM 269 C LYS A 20 -0.265 -14.249 8.579 1.00 0.00 C ATOM 270 O LYS A 20 -0.508 -14.412 9.774 1.00 0.00 O ATOM 271 CB LYS A 20 0.202 -16.754 8.315 1.00 0.00 C ATOM 272 CG LYS A 20 0.002 -17.949 7.380 1.00 0.00 C ATOM 273 CD LYS A 20 -0.467 -19.181 8.157 1.00 0.00 C ATOM 274 CE LYS A 20 -0.402 -20.436 7.284 1.00 0.00 C ATOM 275 NZ LYS A 20 -1.766 -20.906 6.951 1.00 0.00 N ATOM 0 H LYS A 20 0.258 -15.046 5.625 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.211 -15.610 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.246 -16.700 8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.391 -16.892 9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.731 -17.697 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.936 -18.173 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.155 -19.316 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.488 -19.029 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.149 -20.221 6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.143 -21.222 7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.704 -21.758 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.280 -21.130 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.273 -20.160 6.433 1.00 0.00 H new ATOM 289 N GLU A 21 -0.043 -13.073 8.012 1.00 0.00 N ATOM 290 CA GLU A 21 -0.072 -11.848 8.793 1.00 0.00 C ATOM 291 C GLU A 21 -1.475 -11.237 8.770 1.00 0.00 C ATOM 292 O GLU A 21 -2.203 -11.311 9.759 1.00 0.00 O ATOM 293 CB GLU A 21 0.969 -10.849 8.284 1.00 0.00 C ATOM 294 CG GLU A 21 2.383 -11.421 8.404 1.00 0.00 C ATOM 295 CD GLU A 21 2.906 -11.295 9.836 1.00 0.00 C ATOM 296 OE1 GLU A 21 2.600 -10.258 10.463 1.00 0.00 O ATOM 297 OE2 GLU A 21 3.600 -12.239 10.272 1.00 0.00 O ATOM 0 H GLU A 21 0.158 -12.942 7.021 1.00 0.00 H new ATOM 0 HA GLU A 21 0.180 -12.092 9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.761 -10.600 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.898 -9.923 8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.382 -12.469 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.051 -10.895 7.722 1.00 0.00 H new ATOM 304 N LYS A 22 -1.811 -10.649 7.632 1.00 0.00 N ATOM 305 CA LYS A 22 -3.114 -10.026 7.468 1.00 0.00 C ATOM 306 C LYS A 22 -3.129 -9.222 6.166 1.00 0.00 C ATOM 307 O LYS A 22 -2.183 -8.493 5.871 1.00 0.00 O ATOM 308 CB LYS A 22 -3.473 -9.200 8.705 1.00 0.00 C ATOM 309 CG LYS A 22 -4.722 -9.756 9.392 1.00 0.00 C ATOM 310 CD LYS A 22 -5.485 -8.649 10.122 1.00 0.00 C ATOM 311 CE LYS A 22 -6.917 -9.085 10.435 1.00 0.00 C ATOM 312 NZ LYS A 22 -7.124 -9.175 11.898 1.00 0.00 N ATOM 0 H LYS A 22 -1.204 -10.590 6.814 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.892 -10.785 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.637 -9.204 9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.643 -8.163 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.371 -10.223 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.436 -10.534 10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.968 -8.395 11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.501 -7.748 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.622 -8.374 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.118 -10.052 9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.101 -9.472 12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.464 -9.871 12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.952 -8.245 12.331 1.00 0.00 H new ATOM 326 N GLU A 23 -4.214 -9.381 5.423 1.00 0.00 N ATOM 327 CA GLU A 23 -4.365 -8.679 4.160 1.00 0.00 C ATOM 328 C GLU A 23 -3.901 -7.228 4.300 1.00 0.00 C ATOM 329 O GLU A 23 -3.837 -6.697 5.408 1.00 0.00 O ATOM 330 CB GLU A 23 -5.812 -8.746 3.665 1.00 0.00 C ATOM 331 CG GLU A 23 -6.081 -10.064 2.936 1.00 0.00 C ATOM 332 CD GLU A 23 -7.315 -9.952 2.039 1.00 0.00 C ATOM 333 OE1 GLU A 23 -8.431 -10.056 2.592 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.115 -9.765 0.819 1.00 0.00 O ATOM 0 H GLU A 23 -4.997 -9.986 5.671 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.738 -9.171 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.494 -8.648 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.010 -7.909 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.213 -10.335 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.227 -10.863 3.663 1.00 0.00 H new ATOM 341 N PRO A 24 -3.580 -6.612 3.131 1.00 0.00 N ATOM 342 CA PRO A 24 -3.123 -5.232 3.113 1.00 0.00 C ATOM 343 C PRO A 24 -4.287 -4.266 3.343 1.00 0.00 C ATOM 344 O PRO A 24 -5.420 -4.550 2.957 1.00 0.00 O ATOM 345 CB PRO A 24 -2.463 -5.054 1.755 1.00 0.00 C ATOM 346 CG PRO A 24 -2.982 -6.189 0.887 1.00 0.00 C ATOM 347 CD PRO A 24 -3.644 -7.209 1.800 1.00 0.00 C ATOM 0 HA PRO A 24 -2.419 -5.011 3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.714 -4.085 1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.377 -5.093 1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.696 -5.813 0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.165 -6.648 0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.675 -7.399 1.500 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.122 -8.165 1.769 1.00 0.00 H new ATOM 355 N ASP A 25 -3.967 -3.145 3.972 1.00 0.00 N ATOM 356 CA ASP A 25 -4.972 -2.135 4.258 1.00 0.00 C ATOM 357 C ASP A 25 -4.723 -0.909 3.377 1.00 0.00 C ATOM 358 O ASP A 25 -3.809 -0.128 3.638 1.00 0.00 O ATOM 359 CB ASP A 25 -4.903 -1.688 5.720 1.00 0.00 C ATOM 360 CG ASP A 25 -6.187 -1.904 6.523 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.196 -2.283 5.890 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.132 -1.685 7.753 1.00 0.00 O ATOM 0 H ASP A 25 -3.026 -2.914 4.292 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.952 -2.569 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.091 -2.225 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.648 -0.629 5.749 1.00 0.00 H new ATOM 367 N TYR A 26 -5.552 -0.778 2.352 1.00 0.00 N ATOM 368 CA TYR A 26 -5.433 0.339 1.431 1.00 0.00 C ATOM 369 C TYR A 26 -6.237 1.544 1.924 1.00 0.00 C ATOM 370 O TYR A 26 -7.380 1.398 2.355 1.00 0.00 O ATOM 371 CB TYR A 26 -6.021 -0.143 0.104 1.00 0.00 C ATOM 372 CG TYR A 26 -5.127 -1.128 -0.652 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.129 -0.658 -1.480 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.320 -2.487 -0.505 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.287 -1.585 -2.191 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.478 -3.414 -1.216 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.504 -2.917 -2.024 1.00 0.00 C ATOM 378 OH TYR A 26 -2.709 -3.793 -2.696 1.00 0.00 O ATOM 0 H TYR A 26 -6.309 -1.427 2.139 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.393 0.650 1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.984 -0.616 0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.211 0.721 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.979 0.405 -1.595 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.102 -2.855 0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.501 -1.231 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.617 -4.480 -1.110 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.809 -4.688 -2.310 1.00 0.00 H new ATOM 388 N ILE A 27 -5.608 2.708 1.845 1.00 0.00 N ATOM 389 CA ILE A 27 -6.250 3.937 2.278 1.00 0.00 C ATOM 390 C ILE A 27 -6.062 5.011 1.205 1.00 0.00 C ATOM 391 O ILE A 27 -4.951 5.221 0.720 1.00 0.00 O ATOM 392 CB ILE A 27 -5.739 4.351 3.659 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.593 3.136 4.577 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.633 5.429 4.274 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.138 2.665 4.635 1.00 0.00 C ATOM 0 H ILE A 27 -4.660 2.825 1.487 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.323 3.786 2.393 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.746 4.785 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.937 3.390 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.227 2.326 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.247 5.705 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.642 6.307 3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.648 5.044 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.061 1.800 5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.805 2.389 3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.510 3.470 5.018 1.00 0.00 H new ATOM 407 N LEU A 28 -7.164 5.663 0.865 1.00 0.00 N ATOM 408 CA LEU A 28 -7.134 6.710 -0.142 1.00 0.00 C ATOM 409 C LEU A 28 -6.626 8.007 0.492 1.00 0.00 C ATOM 410 O LEU A 28 -7.269 8.560 1.382 1.00 0.00 O ATOM 411 CB LEU A 28 -8.502 6.848 -0.812 1.00 0.00 C ATOM 412 CG LEU A 28 -8.569 7.797 -2.011 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.091 7.102 -3.287 1.00 0.00 C ATOM 414 CD2 LEU A 28 -9.974 8.382 -2.169 1.00 0.00 C ATOM 0 H LEU A 28 -8.084 5.486 1.269 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.438 6.451 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.826 5.860 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.218 7.188 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.892 8.631 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.149 7.798 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.060 6.774 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.724 6.238 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.994 9.053 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.689 7.574 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.241 8.937 -1.269 1.00 0.00 H new ATOM 426 N LEU A 29 -5.476 8.453 0.008 1.00 0.00 N ATOM 427 CA LEU A 29 -4.874 9.674 0.516 1.00 0.00 C ATOM 428 C LEU A 29 -5.700 10.876 0.052 1.00 0.00 C ATOM 429 O LEU A 29 -6.283 11.586 0.870 1.00 0.00 O ATOM 430 CB LEU A 29 -3.399 9.751 0.117 1.00 0.00 C ATOM 431 CG LEU A 29 -2.448 8.830 0.885 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.990 9.138 0.541 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.710 8.903 2.390 1.00 0.00 C ATOM 0 H LEU A 29 -4.945 7.991 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.886 9.679 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.318 9.520 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.061 10.779 0.247 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.642 7.803 0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.335 8.470 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.830 8.993 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.764 10.171 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.021 8.239 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.561 9.926 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.735 8.596 2.596 1.00 0.00 H new ATOM 445 N SER A 30 -5.722 11.067 -1.258 1.00 0.00 N ATOM 446 CA SER A 30 -6.467 12.171 -1.841 1.00 0.00 C ATOM 447 C SER A 30 -6.601 11.972 -3.352 1.00 0.00 C ATOM 448 O SER A 30 -6.373 10.875 -3.860 1.00 0.00 O ATOM 449 CB SER A 30 -5.791 13.510 -1.540 1.00 0.00 C ATOM 450 OG SER A 30 -6.705 14.458 -0.995 1.00 0.00 O ATOM 0 H SER A 30 -5.236 10.476 -1.933 1.00 0.00 H new ATOM 0 HA SER A 30 -7.461 12.187 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.971 13.353 -0.840 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.356 13.911 -2.456 1.00 0.00 H new ATOM 0 HG SER A 30 -6.235 15.299 -0.815 1.00 0.00 H new ATOM 456 N GLU A 31 -6.971 13.049 -4.028 1.00 0.00 N ATOM 457 CA GLU A 31 -7.139 13.007 -5.470 1.00 0.00 C ATOM 458 C GLU A 31 -6.822 14.373 -6.082 1.00 0.00 C ATOM 459 O GLU A 31 -7.530 15.347 -5.835 1.00 0.00 O ATOM 460 CB GLU A 31 -8.551 12.552 -5.845 1.00 0.00 C ATOM 461 CG GLU A 31 -8.626 12.157 -7.321 1.00 0.00 C ATOM 462 CD GLU A 31 -8.648 13.396 -8.220 1.00 0.00 C ATOM 463 OE1 GLU A 31 -7.544 13.842 -8.598 1.00 0.00 O ATOM 464 OE2 GLU A 31 -9.769 13.867 -8.509 1.00 0.00 O ATOM 0 H GLU A 31 -7.159 13.957 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.438 12.278 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.841 11.705 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.261 13.354 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.771 11.532 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.521 11.560 -7.496 1.00 0.00 H new ATOM 471 N ARG A 32 -5.757 14.400 -6.870 1.00 0.00 N ATOM 472 CA ARG A 32 -5.337 15.631 -7.519 1.00 0.00 C ATOM 473 C ARG A 32 -4.286 15.334 -8.590 1.00 0.00 C ATOM 474 O ARG A 32 -3.639 14.289 -8.558 1.00 0.00 O ATOM 475 CB ARG A 32 -4.757 16.618 -6.505 1.00 0.00 C ATOM 476 CG ARG A 32 -5.833 17.581 -5.998 1.00 0.00 C ATOM 477 CD ARG A 32 -6.174 17.300 -4.534 1.00 0.00 C ATOM 478 NE ARG A 32 -5.824 18.471 -3.699 1.00 0.00 N ATOM 479 CZ ARG A 32 -6.302 18.684 -2.466 1.00 0.00 C ATOM 480 NH1 ARG A 32 -7.153 17.808 -1.916 1.00 0.00 N ATOM 481 NH2 ARG A 32 -5.929 19.775 -1.782 1.00 0.00 N ATOM 0 H ARG A 32 -5.172 13.589 -7.074 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.216 16.079 -7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.328 16.072 -5.665 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.946 17.183 -6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.485 18.609 -6.103 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.730 17.484 -6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.237 17.077 -4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.631 16.421 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.178 19.159 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.437 16.978 -2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.517 17.971 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.281 20.443 -2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.293 19.937 -0.843 1.00 0.00 H new ATOM 495 N GLY A 33 -4.150 16.273 -9.516 1.00 0.00 N ATOM 496 CA GLY A 33 -3.189 16.125 -10.595 1.00 0.00 C ATOM 497 C GLY A 33 -3.803 16.533 -11.936 1.00 0.00 C ATOM 498 O GLY A 33 -3.777 15.763 -12.895 1.00 0.00 O ATOM 0 H GLY A 33 -4.689 17.138 -9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.311 16.738 -10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.850 15.090 -10.646 1.00 0.00 H new ATOM 502 N MET A 34 -4.341 17.743 -11.960 1.00 0.00 N ATOM 503 CA MET A 34 -4.961 18.263 -13.167 1.00 0.00 C ATOM 504 C MET A 34 -6.184 17.430 -13.558 1.00 0.00 C ATOM 505 O MET A 34 -6.273 16.253 -13.213 1.00 0.00 O ATOM 506 CB MET A 34 -3.945 18.246 -14.310 1.00 0.00 C ATOM 507 CG MET A 34 -2.781 19.198 -14.024 1.00 0.00 C ATOM 508 SD MET A 34 -3.142 20.818 -14.679 1.00 0.00 S ATOM 509 CE MET A 34 -1.915 20.910 -15.972 1.00 0.00 C ATOM 0 H MET A 34 -4.361 18.379 -11.163 1.00 0.00 H new ATOM 0 HA MET A 34 -5.288 19.285 -12.974 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.566 17.234 -14.449 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.434 18.534 -15.241 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.608 19.261 -12.950 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.866 18.811 -14.472 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.001 21.867 -16.487 1.00 0.00 H new ATOM 0 HE2 MET A 34 -0.920 20.820 -15.536 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.074 20.099 -16.683 1.00 0.00 H new ATOM 519 N PRO A 35 -7.119 18.091 -14.291 1.00 0.00 N ATOM 520 CA PRO A 35 -8.332 17.424 -14.733 1.00 0.00 C ATOM 521 C PRO A 35 -8.042 16.472 -15.895 1.00 0.00 C ATOM 522 O PRO A 35 -8.651 15.408 -15.997 1.00 0.00 O ATOM 523 CB PRO A 35 -9.284 18.548 -15.108 1.00 0.00 C ATOM 524 CG PRO A 35 -8.417 19.781 -15.305 1.00 0.00 C ATOM 525 CD PRO A 35 -7.046 19.485 -14.718 1.00 0.00 C ATOM 0 HA PRO A 35 -8.769 16.791 -13.961 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.833 18.307 -16.018 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.023 18.712 -14.324 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.334 20.024 -16.364 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.864 20.645 -14.813 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.259 19.632 -15.457 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.823 20.145 -13.880 1.00 0.00 H new ATOM 533 N ARG A 36 -7.113 16.890 -16.743 1.00 0.00 N ATOM 534 CA ARG A 36 -6.736 16.088 -17.894 1.00 0.00 C ATOM 535 C ARG A 36 -6.008 14.820 -17.442 1.00 0.00 C ATOM 536 O ARG A 36 -6.340 13.720 -17.881 1.00 0.00 O ATOM 537 CB ARG A 36 -5.830 16.877 -18.842 1.00 0.00 C ATOM 538 CG ARG A 36 -6.656 17.644 -19.876 1.00 0.00 C ATOM 539 CD ARG A 36 -5.749 18.374 -20.870 1.00 0.00 C ATOM 540 NE ARG A 36 -6.530 19.378 -21.625 1.00 0.00 N ATOM 541 CZ ARG A 36 -7.434 19.074 -22.566 1.00 0.00 C ATOM 542 NH1 ARG A 36 -7.676 17.792 -22.873 1.00 0.00 N ATOM 543 NH2 ARG A 36 -8.096 20.051 -23.200 1.00 0.00 N ATOM 0 H ARG A 36 -6.611 17.773 -16.656 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.650 15.818 -18.423 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.218 17.574 -18.270 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.147 16.196 -19.349 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.307 16.953 -20.412 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.301 18.363 -19.371 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.932 18.862 -20.339 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.300 17.658 -21.558 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.370 20.364 -21.416 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.172 17.048 -22.390 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.364 17.560 -23.589 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.912 21.027 -22.966 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.784 19.819 -23.916 1.00 0.00 H new ATOM 557 N ARG A 37 -5.030 15.016 -16.570 1.00 0.00 N ATOM 558 CA ARG A 37 -4.253 13.902 -16.054 1.00 0.00 C ATOM 559 C ARG A 37 -4.985 13.242 -14.884 1.00 0.00 C ATOM 560 O ARG A 37 -5.271 12.046 -14.922 1.00 0.00 O ATOM 561 CB ARG A 37 -2.871 14.364 -15.587 1.00 0.00 C ATOM 562 CG ARG A 37 -1.838 14.222 -16.707 1.00 0.00 C ATOM 563 CD ARG A 37 -1.359 12.774 -16.830 1.00 0.00 C ATOM 564 NE ARG A 37 -0.890 12.512 -18.209 1.00 0.00 N ATOM 565 CZ ARG A 37 -0.505 11.308 -18.656 1.00 0.00 C ATOM 566 NH1 ARG A 37 -0.532 10.249 -17.835 1.00 0.00 N ATOM 567 NH2 ARG A 37 -0.094 11.164 -19.923 1.00 0.00 N ATOM 0 H ARG A 37 -4.758 15.930 -16.208 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.128 13.181 -16.862 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.921 15.404 -15.263 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.560 13.776 -14.724 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.274 14.546 -17.652 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.988 14.874 -16.508 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.552 12.588 -16.121 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.170 12.091 -16.577 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.858 13.296 -18.860 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.845 10.359 -16.871 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.239 9.333 -18.175 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.074 11.970 -20.547 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.199 10.248 -20.263 1.00 0.00 H new ATOM 581 N ARG A 38 -5.266 14.049 -13.872 1.00 0.00 N ATOM 582 CA ARG A 38 -5.959 13.558 -12.693 1.00 0.00 C ATOM 583 C ARG A 38 -5.180 12.402 -12.063 1.00 0.00 C ATOM 584 O ARG A 38 -5.203 11.282 -12.571 1.00 0.00 O ATOM 585 CB ARG A 38 -7.370 13.081 -13.042 1.00 0.00 C ATOM 586 CG ARG A 38 -8.398 14.190 -12.804 1.00 0.00 C ATOM 587 CD ARG A 38 -8.499 14.534 -11.317 1.00 0.00 C ATOM 588 NE ARG A 38 -9.865 15.008 -10.999 1.00 0.00 N ATOM 589 CZ ARG A 38 -10.968 14.257 -11.120 1.00 0.00 C ATOM 590 NH1 ARG A 38 -10.873 12.992 -11.552 1.00 0.00 N ATOM 591 NH2 ARG A 38 -12.166 14.770 -10.808 1.00 0.00 N ATOM 0 H ARG A 38 -5.026 15.040 -13.844 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.031 14.382 -11.984 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.404 12.766 -14.085 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.623 12.210 -12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.116 15.079 -13.368 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.373 13.873 -13.175 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.260 13.657 -10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.770 15.303 -11.063 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.973 15.966 -10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.961 12.601 -11.789 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.713 12.420 -11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.238 15.733 -10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.005 14.198 -10.900 1.00 0.00 H new ATOM 605 N GLU A 39 -4.507 12.713 -10.964 1.00 0.00 N ATOM 606 CA GLU A 39 -3.722 11.714 -10.259 1.00 0.00 C ATOM 607 C GLU A 39 -4.385 11.363 -8.926 1.00 0.00 C ATOM 608 O GLU A 39 -4.841 12.247 -8.202 1.00 0.00 O ATOM 609 CB GLU A 39 -2.285 12.196 -10.047 1.00 0.00 C ATOM 610 CG GLU A 39 -1.294 11.039 -10.184 1.00 0.00 C ATOM 611 CD GLU A 39 -0.914 10.814 -11.649 1.00 0.00 C ATOM 612 OE1 GLU A 39 -1.797 11.037 -12.505 1.00 0.00 O ATOM 613 OE2 GLU A 39 0.251 10.424 -11.880 1.00 0.00 O ATOM 0 H GLU A 39 -4.489 13.643 -10.545 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.681 10.813 -10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.047 12.972 -10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.190 12.646 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.398 11.252 -9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.733 10.129 -9.774 1.00 0.00 H new ATOM 620 N PHE A 40 -4.418 10.069 -8.641 1.00 0.00 N ATOM 621 CA PHE A 40 -5.018 9.590 -7.407 1.00 0.00 C ATOM 622 C PHE A 40 -3.957 9.002 -6.474 1.00 0.00 C ATOM 623 O PHE A 40 -3.219 8.097 -6.860 1.00 0.00 O ATOM 624 CB PHE A 40 -6.009 8.489 -7.790 1.00 0.00 C ATOM 625 CG PHE A 40 -7.261 9.001 -8.505 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.147 9.651 -9.694 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.488 8.805 -7.952 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.309 10.126 -10.359 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.650 9.280 -8.616 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.536 9.930 -9.806 1.00 0.00 C ATOM 0 H PHE A 40 -4.039 9.338 -9.243 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.506 10.414 -6.886 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.505 7.768 -8.433 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.310 7.956 -6.888 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.173 9.806 -10.133 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.579 8.288 -7.008 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.218 10.642 -11.303 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.624 9.125 -8.176 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.420 10.290 -10.311 1.00 0.00 H new ATOM 640 N VAL A 41 -3.914 9.541 -5.265 1.00 0.00 N ATOM 641 CA VAL A 41 -2.956 9.082 -4.274 1.00 0.00 C ATOM 642 C VAL A 41 -3.566 7.926 -3.478 1.00 0.00 C ATOM 643 O VAL A 41 -4.692 8.028 -2.992 1.00 0.00 O ATOM 644 CB VAL A 41 -2.517 10.250 -3.389 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.332 9.854 -2.506 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.185 11.482 -4.233 1.00 0.00 C ATOM 0 H VAL A 41 -4.528 10.292 -4.949 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.057 8.704 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.350 10.507 -2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.040 10.702 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.618 9.019 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.493 9.558 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.876 12.298 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.376 11.243 -4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.067 11.784 -4.798 1.00 0.00 H new ATOM 656 N MET A 42 -2.796 6.853 -3.370 1.00 0.00 N ATOM 657 CA MET A 42 -3.247 5.679 -2.642 1.00 0.00 C ATOM 658 C MET A 42 -2.209 5.244 -1.606 1.00 0.00 C ATOM 659 O MET A 42 -1.008 5.412 -1.816 1.00 0.00 O ATOM 660 CB MET A 42 -3.498 4.534 -3.625 1.00 0.00 C ATOM 661 CG MET A 42 -4.934 4.017 -3.509 1.00 0.00 C ATOM 662 SD MET A 42 -5.117 3.051 -2.020 1.00 0.00 S ATOM 663 CE MET A 42 -6.850 2.638 -2.129 1.00 0.00 C ATOM 0 H MET A 42 -1.863 6.772 -3.774 1.00 0.00 H new ATOM 0 HA MET A 42 -4.170 5.931 -2.120 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.312 4.876 -4.643 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.798 3.722 -3.429 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.631 4.855 -3.497 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.182 3.409 -4.379 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.360 2.968 -1.224 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.289 3.135 -2.994 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.961 1.559 -2.235 1.00 0.00 H new ATOM 673 N GLN A 43 -2.708 4.694 -0.509 1.00 0.00 N ATOM 674 CA GLN A 43 -1.839 4.233 0.560 1.00 0.00 C ATOM 675 C GLN A 43 -2.098 2.755 0.856 1.00 0.00 C ATOM 676 O GLN A 43 -3.195 2.253 0.615 1.00 0.00 O ATOM 677 CB GLN A 43 -2.020 5.084 1.819 1.00 0.00 C ATOM 678 CG GLN A 43 -0.766 5.043 2.694 1.00 0.00 C ATOM 679 CD GLN A 43 -0.838 6.091 3.806 1.00 0.00 C ATOM 680 OE1 GLN A 43 -0.014 6.985 3.907 1.00 0.00 O ATOM 681 NE2 GLN A 43 -1.868 5.933 4.632 1.00 0.00 N ATOM 0 H GLN A 43 -3.704 4.557 -0.337 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.805 4.342 0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.238 6.114 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.876 4.721 2.387 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.656 4.051 3.131 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.117 5.220 2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.521 5.163 4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.005 6.582 5.407 1.00 0.00 H new ATOM 690 N VAL A 44 -1.070 2.099 1.375 1.00 0.00 N ATOM 691 CA VAL A 44 -1.173 0.688 1.706 1.00 0.00 C ATOM 692 C VAL A 44 -0.475 0.430 3.043 1.00 0.00 C ATOM 693 O VAL A 44 0.644 0.891 3.262 1.00 0.00 O ATOM 694 CB VAL A 44 -0.610 -0.160 0.564 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.886 0.099 0.375 1.00 0.00 C ATOM 696 CG2 VAL A 44 -0.883 -1.647 0.799 1.00 0.00 C ATOM 0 H VAL A 44 -0.162 2.519 1.574 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.217 0.398 1.823 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.120 0.133 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.261 -0.516 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.046 1.151 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.418 -0.153 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.473 -2.227 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.413 -1.960 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.958 -1.814 0.861 1.00 0.00 H new ATOM 706 N LYS A 45 -1.165 -0.305 3.902 1.00 0.00 N ATOM 707 CA LYS A 45 -0.626 -0.630 5.212 1.00 0.00 C ATOM 708 C LYS A 45 -0.580 -2.150 5.377 1.00 0.00 C ATOM 709 O LYS A 45 -1.614 -2.814 5.333 1.00 0.00 O ATOM 710 CB LYS A 45 -1.417 0.085 6.309 1.00 0.00 C ATOM 711 CG LYS A 45 -0.530 0.380 7.521 1.00 0.00 C ATOM 712 CD LYS A 45 -1.376 0.637 8.770 1.00 0.00 C ATOM 713 CE LYS A 45 -1.513 2.136 9.039 1.00 0.00 C ATOM 714 NZ LYS A 45 -1.006 2.469 10.390 1.00 0.00 N ATOM 0 H LYS A 45 -2.093 -0.685 3.717 1.00 0.00 H new ATOM 0 HA LYS A 45 0.398 -0.269 5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.827 1.016 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.262 -0.532 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.141 -0.461 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.095 1.249 7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.364 0.195 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.918 0.150 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.959 2.698 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.558 2.433 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.106 3.491 10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.552 1.947 11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.003 2.204 10.459 1.00 0.00 H new ATOM 728 N VAL A 46 0.630 -2.657 5.564 1.00 0.00 N ATOM 729 CA VAL A 46 0.824 -4.086 5.736 1.00 0.00 C ATOM 730 C VAL A 46 1.645 -4.336 7.003 1.00 0.00 C ATOM 731 O VAL A 46 2.835 -4.030 7.047 1.00 0.00 O ATOM 732 CB VAL A 46 1.466 -4.682 4.481 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.259 -5.946 4.819 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.412 -4.966 3.409 1.00 0.00 C ATOM 0 H VAL A 46 1.486 -2.103 5.600 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.135 -4.589 5.865 1.00 0.00 H new ATOM 0 HB VAL A 46 2.163 -3.947 4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.705 -6.350 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.046 -5.702 5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.591 -6.688 5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.894 -5.389 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.320 -5.674 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.090 -4.037 3.137 1.00 0.00 H new ATOM 744 N GLY A 47 0.976 -4.891 8.003 1.00 0.00 N ATOM 745 CA GLY A 47 1.628 -5.185 9.268 1.00 0.00 C ATOM 746 C GLY A 47 2.204 -3.915 9.897 1.00 0.00 C ATOM 747 O GLY A 47 1.459 -3.068 10.388 1.00 0.00 O ATOM 0 H GLY A 47 -0.011 -5.145 7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.913 -5.642 9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.426 -5.911 9.110 1.00 0.00 H new ATOM 751 N ASN A 48 3.525 -3.821 9.860 1.00 0.00 N ATOM 752 CA ASN A 48 4.210 -2.669 10.420 1.00 0.00 C ATOM 753 C ASN A 48 4.883 -1.883 9.293 1.00 0.00 C ATOM 754 O ASN A 48 5.854 -1.164 9.526 1.00 0.00 O ATOM 755 CB ASN A 48 5.294 -3.099 11.409 1.00 0.00 C ATOM 756 CG ASN A 48 4.690 -3.875 12.581 1.00 0.00 C ATOM 757 OD1 ASN A 48 4.118 -4.941 12.424 1.00 0.00 O ATOM 758 ND2 ASN A 48 4.849 -3.283 13.762 1.00 0.00 N ATOM 0 H ASN A 48 4.139 -4.525 9.450 1.00 0.00 H new ATOM 0 HA ASN A 48 3.471 -2.058 10.938 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.031 -3.719 10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.820 -2.220 11.782 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.482 -3.722 14.606 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.338 -2.390 13.823 1.00 0.00 H new ATOM 765 N GLU A 49 4.342 -2.048 8.095 1.00 0.00 N ATOM 766 CA GLU A 49 4.878 -1.363 6.931 1.00 0.00 C ATOM 767 C GLU A 49 3.769 -0.594 6.209 1.00 0.00 C ATOM 768 O GLU A 49 2.593 -0.934 6.331 1.00 0.00 O ATOM 769 CB GLU A 49 5.567 -2.348 5.984 1.00 0.00 C ATOM 770 CG GLU A 49 7.028 -2.563 6.385 1.00 0.00 C ATOM 771 CD GLU A 49 7.153 -3.679 7.424 1.00 0.00 C ATOM 772 OE1 GLU A 49 7.097 -4.855 7.004 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.303 -3.331 8.615 1.00 0.00 O ATOM 0 H GLU A 49 3.538 -2.646 7.905 1.00 0.00 H new ATOM 0 HA GLU A 49 5.628 -0.648 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.038 -3.301 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.518 -1.971 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.618 -2.814 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.438 -1.637 6.789 1.00 0.00 H new ATOM 780 N VAL A 50 4.183 0.427 5.474 1.00 0.00 N ATOM 781 CA VAL A 50 3.240 1.247 4.733 1.00 0.00 C ATOM 782 C VAL A 50 3.858 1.642 3.391 1.00 0.00 C ATOM 783 O VAL A 50 5.080 1.696 3.258 1.00 0.00 O ATOM 784 CB VAL A 50 2.820 2.453 5.576 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.586 3.709 5.155 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.309 2.679 5.495 1.00 0.00 C ATOM 0 H VAL A 50 5.159 0.705 5.376 1.00 0.00 H new ATOM 0 HA VAL A 50 2.331 0.684 4.519 1.00 0.00 H new ATOM 0 HB VAL A 50 3.071 2.240 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.269 4.552 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.655 3.545 5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.380 3.927 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.037 3.542 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.023 2.861 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.789 1.796 5.865 1.00 0.00 H new ATOM 796 N ALA A 51 2.986 1.907 2.429 1.00 0.00 N ATOM 797 CA ALA A 51 3.431 2.295 1.101 1.00 0.00 C ATOM 798 C ALA A 51 2.373 3.192 0.455 1.00 0.00 C ATOM 799 O ALA A 51 1.289 3.375 1.006 1.00 0.00 O ATOM 800 CB ALA A 51 3.719 1.042 0.272 1.00 0.00 C ATOM 0 H ALA A 51 1.973 1.861 2.543 1.00 0.00 H new ATOM 0 HA ALA A 51 4.357 2.867 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.053 1.333 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.498 0.455 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.812 0.444 0.190 1.00 0.00 H new ATOM 806 N THR A 52 2.725 3.726 -0.705 1.00 0.00 N ATOM 807 CA THR A 52 1.819 4.599 -1.432 1.00 0.00 C ATOM 808 C THR A 52 1.914 4.333 -2.936 1.00 0.00 C ATOM 809 O THR A 52 2.909 3.789 -3.412 1.00 0.00 O ATOM 810 CB THR A 52 2.145 6.044 -1.049 1.00 0.00 C ATOM 811 OG1 THR A 52 3.566 6.062 -0.939 1.00 0.00 O ATOM 812 CG2 THR A 52 1.659 6.401 0.357 1.00 0.00 C ATOM 0 H THR A 52 3.625 3.571 -1.160 1.00 0.00 H new ATOM 0 HA THR A 52 0.781 4.403 -1.164 1.00 0.00 H new ATOM 0 HB THR A 52 1.693 6.722 -1.773 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.864 6.963 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.916 7.437 0.579 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.578 6.276 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.137 5.745 1.085 1.00 0.00 H new ATOM 820 N GLY A 53 0.866 4.730 -3.642 1.00 0.00 N ATOM 821 CA GLY A 53 0.818 4.541 -5.082 1.00 0.00 C ATOM 822 C GLY A 53 0.035 5.668 -5.757 1.00 0.00 C ATOM 823 O GLY A 53 -0.845 6.270 -5.145 1.00 0.00 O ATOM 0 H GLY A 53 0.043 5.182 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.831 4.507 -5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.353 3.582 -5.311 1.00 0.00 H new ATOM 827 N THR A 54 0.383 5.919 -7.011 1.00 0.00 N ATOM 828 CA THR A 54 -0.277 6.963 -7.776 1.00 0.00 C ATOM 829 C THR A 54 -0.576 6.476 -9.195 1.00 0.00 C ATOM 830 O THR A 54 0.063 5.545 -9.683 1.00 0.00 O ATOM 831 CB THR A 54 0.608 8.210 -7.735 1.00 0.00 C ATOM 832 OG1 THR A 54 1.904 7.727 -8.076 1.00 0.00 O ATOM 833 CG2 THR A 54 0.777 8.762 -6.318 1.00 0.00 C ATOM 0 H THR A 54 1.113 5.417 -7.516 1.00 0.00 H new ATOM 0 HA THR A 54 -1.244 7.219 -7.344 1.00 0.00 H new ATOM 0 HB THR A 54 0.179 8.980 -8.376 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.541 8.471 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.414 9.646 -6.346 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.199 9.030 -5.913 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.237 8.004 -5.684 1.00 0.00 H new ATOM 841 N GLY A 55 -1.546 7.128 -9.818 1.00 0.00 N ATOM 842 CA GLY A 55 -1.937 6.773 -11.172 1.00 0.00 C ATOM 843 C GLY A 55 -3.054 7.688 -11.678 1.00 0.00 C ATOM 844 O GLY A 55 -3.403 8.669 -11.022 1.00 0.00 O ATOM 0 H GLY A 55 -2.073 7.900 -9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.074 6.846 -11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.272 5.736 -11.198 1.00 0.00 H new ATOM 848 N PRO A 56 -3.598 7.326 -12.871 1.00 0.00 N ATOM 849 CA PRO A 56 -4.668 8.104 -13.472 1.00 0.00 C ATOM 850 C PRO A 56 -5.996 7.858 -12.752 1.00 0.00 C ATOM 851 O PRO A 56 -6.886 8.706 -12.777 1.00 0.00 O ATOM 852 CB PRO A 56 -4.695 7.675 -14.930 1.00 0.00 C ATOM 853 CG PRO A 56 -3.957 6.347 -14.987 1.00 0.00 C ATOM 854 CD PRO A 56 -3.210 6.172 -13.675 1.00 0.00 C ATOM 0 HA PRO A 56 -4.504 9.178 -13.389 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.719 7.568 -15.287 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.212 8.418 -15.565 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.659 5.527 -15.139 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.262 6.332 -15.827 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.484 5.238 -13.185 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.132 6.144 -13.834 1.00 0.00 H new ATOM 862 N ASN A 57 -6.087 6.692 -12.129 1.00 0.00 N ATOM 863 CA ASN A 57 -7.291 6.324 -11.403 1.00 0.00 C ATOM 864 C ASN A 57 -6.901 5.658 -10.082 1.00 0.00 C ATOM 865 O ASN A 57 -5.761 5.230 -9.911 1.00 0.00 O ATOM 866 CB ASN A 57 -8.133 5.328 -12.204 1.00 0.00 C ATOM 867 CG ASN A 57 -7.390 4.867 -13.459 1.00 0.00 C ATOM 868 OD1 ASN A 57 -7.024 5.651 -14.319 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.190 3.553 -13.517 1.00 0.00 N ATOM 0 H ASN A 57 -5.347 5.990 -12.112 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.871 7.230 -11.229 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.373 4.466 -11.582 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.079 5.790 -12.486 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.704 3.146 -14.316 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.522 2.953 -12.762 1.00 0.00 H new ATOM 876 N LYS A 58 -7.871 5.591 -9.181 1.00 0.00 N ATOM 877 CA LYS A 58 -7.644 4.985 -7.881 1.00 0.00 C ATOM 878 C LYS A 58 -7.145 3.551 -8.071 1.00 0.00 C ATOM 879 O LYS A 58 -6.223 3.114 -7.385 1.00 0.00 O ATOM 880 CB LYS A 58 -8.900 5.089 -7.014 1.00 0.00 C ATOM 881 CG LYS A 58 -8.667 4.473 -5.633 1.00 0.00 C ATOM 882 CD LYS A 58 -9.961 3.880 -5.071 1.00 0.00 C ATOM 883 CE LYS A 58 -10.759 4.936 -4.303 1.00 0.00 C ATOM 884 NZ LYS A 58 -12.171 4.515 -4.161 1.00 0.00 N ATOM 0 H LYS A 58 -8.816 5.947 -9.327 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.866 5.525 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.186 6.135 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.729 4.582 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.906 3.695 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.285 5.233 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.567 3.482 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.726 3.045 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.318 5.089 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.709 5.891 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.699 5.242 -3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.593 4.392 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.214 3.615 -3.642 1.00 0.00 H new ATOM 898 N LYS A 59 -7.777 2.858 -9.007 1.00 0.00 N ATOM 899 CA LYS A 59 -7.410 1.483 -9.297 1.00 0.00 C ATOM 900 C LYS A 59 -5.892 1.391 -9.472 1.00 0.00 C ATOM 901 O LYS A 59 -5.204 0.793 -8.647 1.00 0.00 O ATOM 902 CB LYS A 59 -8.200 0.958 -10.497 1.00 0.00 C ATOM 903 CG LYS A 59 -9.591 0.484 -10.073 1.00 0.00 C ATOM 904 CD LYS A 59 -10.613 1.618 -10.180 1.00 0.00 C ATOM 905 CE LYS A 59 -11.333 1.835 -8.847 1.00 0.00 C ATOM 906 NZ LYS A 59 -12.783 1.579 -8.993 1.00 0.00 N ATOM 0 H LYS A 59 -8.541 3.224 -9.575 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.676 0.834 -8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.293 1.743 -11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.658 0.135 -10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.902 -0.351 -10.701 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.557 0.116 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.111 2.538 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.341 1.384 -10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.915 1.172 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.171 2.856 -8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.256 1.731 -8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.181 2.229 -9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.933 0.597 -9.301 1.00 0.00 H new ATOM 920 N ILE A 60 -5.416 1.993 -10.552 1.00 0.00 N ATOM 921 CA ILE A 60 -3.993 1.987 -10.846 1.00 0.00 C ATOM 922 C ILE A 60 -3.223 2.505 -9.629 1.00 0.00 C ATOM 923 O ILE A 60 -2.275 1.868 -9.173 1.00 0.00 O ATOM 924 CB ILE A 60 -3.708 2.767 -12.131 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.342 2.079 -13.342 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.205 2.986 -12.318 1.00 0.00 C ATOM 927 CD1 ILE A 60 -3.924 2.765 -14.644 1.00 0.00 C ATOM 0 H ILE A 60 -5.990 2.488 -11.234 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.647 0.971 -11.034 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.168 3.751 -12.042 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.043 1.031 -13.367 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.428 2.099 -13.249 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.030 3.543 -13.239 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.812 3.550 -11.472 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.701 2.021 -12.376 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.388 2.256 -15.489 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.246 3.806 -14.626 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.840 2.722 -14.746 1.00 0.00 H new ATOM 939 N ALA A 61 -3.660 3.655 -9.138 1.00 0.00 N ATOM 940 CA ALA A 61 -3.024 4.265 -7.983 1.00 0.00 C ATOM 941 C ALA A 61 -2.871 3.219 -6.878 1.00 0.00 C ATOM 942 O ALA A 61 -1.853 3.182 -6.189 1.00 0.00 O ATOM 943 CB ALA A 61 -3.841 5.477 -7.530 1.00 0.00 C ATOM 0 H ALA A 61 -4.447 4.181 -9.519 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.026 4.622 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.364 5.934 -6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.894 6.204 -8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.848 5.157 -7.263 1.00 0.00 H new ATOM 949 N LYS A 62 -3.899 2.393 -6.743 1.00 0.00 N ATOM 950 CA LYS A 62 -3.892 1.348 -5.733 1.00 0.00 C ATOM 951 C LYS A 62 -2.838 0.301 -6.096 1.00 0.00 C ATOM 952 O LYS A 62 -2.031 -0.091 -5.255 1.00 0.00 O ATOM 953 CB LYS A 62 -5.297 0.770 -5.551 1.00 0.00 C ATOM 954 CG LYS A 62 -5.412 0.019 -4.222 1.00 0.00 C ATOM 955 CD LYS A 62 -5.500 -1.491 -4.452 1.00 0.00 C ATOM 956 CE LYS A 62 -6.940 -1.918 -4.743 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.476 -2.730 -3.628 1.00 0.00 N ATOM 0 H LYS A 62 -4.742 2.426 -7.316 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.613 1.758 -4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.032 1.574 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.526 0.095 -6.376 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.549 0.246 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.295 0.360 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.858 -1.774 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.131 -2.019 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.564 -1.037 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.975 -2.493 -5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.454 -3.011 -3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.890 -3.581 -3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.461 -2.170 -2.752 1.00 0.00 H new ATOM 971 N LYS A 63 -2.879 -0.123 -7.351 1.00 0.00 N ATOM 972 CA LYS A 63 -1.937 -1.118 -7.836 1.00 0.00 C ATOM 973 C LYS A 63 -0.511 -0.649 -7.543 1.00 0.00 C ATOM 974 O LYS A 63 0.315 -1.425 -7.065 1.00 0.00 O ATOM 975 CB LYS A 63 -2.193 -1.422 -9.314 1.00 0.00 C ATOM 976 CG LYS A 63 -3.167 -2.591 -9.472 1.00 0.00 C ATOM 977 CD LYS A 63 -4.090 -2.377 -10.674 1.00 0.00 C ATOM 978 CE LYS A 63 -5.409 -1.733 -10.243 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.558 -2.505 -10.768 1.00 0.00 N ATOM 0 H LYS A 63 -3.550 0.204 -8.046 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.076 -2.063 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.598 -0.538 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.251 -1.659 -9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.609 -3.519 -9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.763 -2.698 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.595 -1.743 -11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.289 -3.333 -11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.460 -1.688 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.456 -0.707 -10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.446 -2.055 -10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.516 -2.527 -11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.520 -3.477 -10.400 1.00 0.00 H new ATOM 993 N ASN A 64 -0.265 0.618 -7.841 1.00 0.00 N ATOM 994 CA ASN A 64 1.048 1.199 -7.615 1.00 0.00 C ATOM 995 C ASN A 64 1.378 1.136 -6.122 1.00 0.00 C ATOM 996 O ASN A 64 2.535 0.952 -5.746 1.00 0.00 O ATOM 997 CB ASN A 64 1.082 2.667 -8.045 1.00 0.00 C ATOM 998 CG ASN A 64 1.482 2.798 -9.516 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.592 3.175 -9.853 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.518 2.466 -10.371 1.00 0.00 N ATOM 0 H ASN A 64 -0.953 1.259 -8.237 1.00 0.00 H new ATOM 0 HA ASN A 64 1.773 0.634 -8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.102 3.118 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.788 3.216 -7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.687 2.519 -11.376 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.390 2.158 -10.022 1.00 0.00 H new ATOM 1007 N ALA A 65 0.342 1.293 -5.312 1.00 0.00 N ATOM 1008 CA ALA A 65 0.508 1.256 -3.869 1.00 0.00 C ATOM 1009 C ALA A 65 1.079 -0.103 -3.460 1.00 0.00 C ATOM 1010 O ALA A 65 2.037 -0.172 -2.692 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.833 1.553 -3.193 1.00 0.00 C ATOM 0 H ALA A 65 -0.616 1.446 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 65 1.213 2.021 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.709 1.525 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.181 2.541 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.566 0.804 -3.493 1.00 0.00 H new ATOM 1017 N ALA A 66 0.466 -1.151 -3.991 1.00 0.00 N ATOM 1018 CA ALA A 66 0.901 -2.504 -3.691 1.00 0.00 C ATOM 1019 C ALA A 66 2.317 -2.711 -4.231 1.00 0.00 C ATOM 1020 O ALA A 66 3.128 -3.397 -3.610 1.00 0.00 O ATOM 1021 CB ALA A 66 -0.098 -3.504 -4.276 1.00 0.00 C ATOM 0 H ALA A 66 -0.329 -1.090 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 66 0.932 -2.667 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.229 -4.519 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.082 -3.334 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.154 -3.372 -5.357 1.00 0.00 H new ATOM 1027 N GLU A 67 2.572 -2.106 -5.382 1.00 0.00 N ATOM 1028 CA GLU A 67 3.876 -2.216 -6.013 1.00 0.00 C ATOM 1029 C GLU A 67 4.961 -1.659 -5.089 1.00 0.00 C ATOM 1030 O GLU A 67 5.935 -2.346 -4.785 1.00 0.00 O ATOM 1031 CB GLU A 67 3.891 -1.504 -7.367 1.00 0.00 C ATOM 1032 CG GLU A 67 4.979 -2.080 -8.277 1.00 0.00 C ATOM 1033 CD GLU A 67 4.962 -1.401 -9.648 1.00 0.00 C ATOM 1034 OE1 GLU A 67 5.096 -0.159 -9.668 1.00 0.00 O ATOM 1035 OE2 GLU A 67 4.815 -2.141 -10.645 1.00 0.00 O ATOM 0 H GLU A 67 1.897 -1.538 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 67 4.084 -3.271 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.918 -1.607 -7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.062 -0.438 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.956 -1.945 -7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.828 -3.153 -8.396 1.00 0.00 H new ATOM 1042 N ALA A 68 4.756 -0.420 -4.667 1.00 0.00 N ATOM 1043 CA ALA A 68 5.705 0.236 -3.783 1.00 0.00 C ATOM 1044 C ALA A 68 5.947 -0.646 -2.557 1.00 0.00 C ATOM 1045 O ALA A 68 7.083 -0.790 -2.106 1.00 0.00 O ATOM 1046 CB ALA A 68 5.178 1.623 -3.408 1.00 0.00 C ATOM 0 H ALA A 68 3.947 0.147 -4.921 1.00 0.00 H new ATOM 0 HA ALA A 68 6.663 0.375 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.889 2.115 -2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.050 2.220 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.219 1.523 -2.901 1.00 0.00 H new ATOM 1052 N MET A 69 4.862 -1.214 -2.052 1.00 0.00 N ATOM 1053 CA MET A 69 4.943 -2.078 -0.886 1.00 0.00 C ATOM 1054 C MET A 69 5.839 -3.287 -1.162 1.00 0.00 C ATOM 1055 O MET A 69 6.744 -3.583 -0.383 1.00 0.00 O ATOM 1056 CB MET A 69 3.540 -2.557 -0.508 1.00 0.00 C ATOM 1057 CG MET A 69 3.603 -3.635 0.577 1.00 0.00 C ATOM 1058 SD MET A 69 4.527 -3.034 1.981 1.00 0.00 S ATOM 1059 CE MET A 69 3.231 -2.181 2.863 1.00 0.00 C ATOM 0 H MET A 69 3.922 -1.093 -2.429 1.00 0.00 H new ATOM 0 HA MET A 69 5.376 -1.509 -0.063 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.947 -1.714 -0.154 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.037 -2.953 -1.390 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.595 -3.911 0.886 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.073 -4.535 0.180 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.351 -2.344 3.934 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.288 -1.113 2.650 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.261 -2.563 2.544 1.00 0.00 H new ATOM 1069 N LEU A 70 5.555 -3.953 -2.271 1.00 0.00 N ATOM 1070 CA LEU A 70 6.324 -5.124 -2.659 1.00 0.00 C ATOM 1071 C LEU A 70 7.769 -4.708 -2.945 1.00 0.00 C ATOM 1072 O LEU A 70 8.700 -5.467 -2.682 1.00 0.00 O ATOM 1073 CB LEU A 70 5.649 -5.845 -3.827 1.00 0.00 C ATOM 1074 CG LEU A 70 4.156 -6.135 -3.664 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.416 -5.968 -4.993 1.00 0.00 C ATOM 1076 CD2 LEU A 70 3.930 -7.520 -3.053 1.00 0.00 C ATOM 0 H LEU A 70 4.803 -3.704 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 70 6.355 -5.847 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.786 -5.245 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.166 -6.790 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 70 3.740 -5.404 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.357 -6.180 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.536 -4.945 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.828 -6.660 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.860 -7.701 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.365 -8.280 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.404 -7.567 -2.073 1.00 0.00 H new ATOM 1088 N LEU A 71 7.910 -3.504 -3.478 1.00 0.00 N ATOM 1089 CA LEU A 71 9.225 -2.978 -3.803 1.00 0.00 C ATOM 1090 C LEU A 71 10.007 -2.739 -2.509 1.00 0.00 C ATOM 1091 O LEU A 71 11.212 -2.980 -2.455 1.00 0.00 O ATOM 1092 CB LEU A 71 9.102 -1.734 -4.686 1.00 0.00 C ATOM 1093 CG LEU A 71 9.232 -1.966 -6.192 1.00 0.00 C ATOM 1094 CD1 LEU A 71 8.158 -1.194 -6.960 1.00 0.00 C ATOM 1095 CD2 LEU A 71 10.642 -1.626 -6.680 1.00 0.00 C ATOM 0 H LEU A 71 7.135 -2.877 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 71 9.791 -3.702 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.135 -1.269 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.866 -1.019 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 71 9.070 -3.026 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.273 -1.376 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.171 -1.527 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.264 -0.128 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.707 -1.800 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.858 -0.579 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.367 -2.257 -6.166 1.00 0.00 H new ATOM 1107 N GLN A 72 9.289 -2.268 -1.500 1.00 0.00 N ATOM 1108 CA GLN A 72 9.900 -1.994 -0.211 1.00 0.00 C ATOM 1109 C GLN A 72 10.182 -3.301 0.532 1.00 0.00 C ATOM 1110 O GLN A 72 11.214 -3.437 1.188 1.00 0.00 O ATOM 1111 CB GLN A 72 9.019 -1.066 0.628 1.00 0.00 C ATOM 1112 CG GLN A 72 8.544 -1.765 1.903 1.00 0.00 C ATOM 1113 CD GLN A 72 7.793 -0.793 2.815 1.00 0.00 C ATOM 1114 OE1 GLN A 72 8.278 -0.375 3.853 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.586 -0.456 2.370 1.00 0.00 N ATOM 0 H GLN A 72 8.290 -2.069 -1.549 1.00 0.00 H new ATOM 0 HA GLN A 72 10.848 -1.484 -0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.577 -0.167 0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.157 -0.748 0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.894 -2.601 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.400 -2.180 2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.240 -0.843 1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.006 0.189 2.907 1.00 0.00 H new ATOM 1124 N LEU A 73 9.247 -4.231 0.403 1.00 0.00 N ATOM 1125 CA LEU A 73 9.382 -5.523 1.054 1.00 0.00 C ATOM 1126 C LEU A 73 10.609 -6.245 0.496 1.00 0.00 C ATOM 1127 O LEU A 73 11.230 -7.049 1.189 1.00 0.00 O ATOM 1128 CB LEU A 73 8.085 -6.325 0.926 1.00 0.00 C ATOM 1129 CG LEU A 73 6.903 -5.828 1.760 1.00 0.00 C ATOM 1130 CD1 LEU A 73 5.675 -6.717 1.556 1.00 0.00 C ATOM 1131 CD2 LEU A 73 7.286 -5.710 3.237 1.00 0.00 C ATOM 0 H LEU A 73 8.393 -4.115 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 73 9.547 -5.395 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.787 -6.331 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.291 -7.358 1.205 1.00 0.00 H new ATOM 0 HG LEU A 73 6.638 -4.829 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.849 -6.341 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.389 -6.707 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.910 -7.738 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.428 -5.355 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.593 -6.686 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.110 -5.005 3.344 1.00 0.00 H new ATOM 1143 N GLY A 74 10.923 -5.933 -0.753 1.00 0.00 N ATOM 1144 CA GLY A 74 12.065 -6.542 -1.413 1.00 0.00 C ATOM 1145 C GLY A 74 11.626 -7.698 -2.314 1.00 0.00 C ATOM 1146 O GLY A 74 12.340 -8.690 -2.449 1.00 0.00 O ATOM 0 H GLY A 74 10.406 -5.266 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.589 -5.793 -2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.770 -6.906 -0.666 1.00 0.00 H new ATOM 1150 N TYR A 75 10.452 -7.532 -2.906 1.00 0.00 N ATOM 1151 CA TYR A 75 9.910 -8.550 -3.790 1.00 0.00 C ATOM 1152 C TYR A 75 10.006 -8.113 -5.253 1.00 0.00 C ATOM 1153 O TYR A 75 9.842 -8.928 -6.160 1.00 0.00 O ATOM 1154 CB TYR A 75 8.435 -8.695 -3.409 1.00 0.00 C ATOM 1155 CG TYR A 75 8.201 -9.464 -2.108 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.756 -9.009 -0.928 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.436 -10.613 -2.112 1.00 0.00 C ATOM 1158 CE1 TYR A 75 8.536 -9.733 0.297 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.216 -11.337 -0.887 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.777 -10.861 0.257 1.00 0.00 C ATOM 1161 OH TYR A 75 7.569 -11.545 1.414 1.00 0.00 O ATOM 0 H TYR A 75 9.861 -6.708 -2.791 1.00 0.00 H new ATOM 0 HA TYR A 75 10.463 -9.484 -3.686 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.995 -7.702 -3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 75 7.910 -9.202 -4.218 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.355 -8.110 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.002 -10.969 -3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.964 -9.388 1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.619 -12.237 -0.877 1.00 0.00 H new ATOM 0 HH TYR A 75 7.008 -12.328 1.235 1.00 0.00 H new ATOM 1171 N LYS A 76 10.270 -6.828 -5.438 1.00 0.00 N ATOM 1172 CA LYS A 76 10.390 -6.273 -6.775 1.00 0.00 C ATOM 1173 C LYS A 76 11.573 -5.304 -6.817 1.00 0.00 C ATOM 1174 O LYS A 76 11.641 -4.438 -7.688 1.00 0.00 O ATOM 1175 CB LYS A 76 9.066 -5.646 -7.216 1.00 0.00 C ATOM 1176 CG LYS A 76 8.397 -6.486 -8.306 1.00 0.00 C ATOM 1177 CD LYS A 76 7.669 -5.595 -9.315 1.00 0.00 C ATOM 1178 CE LYS A 76 8.136 -5.890 -10.742 1.00 0.00 C ATOM 1179 NZ LYS A 76 8.146 -4.650 -11.550 1.00 0.00 N ATOM 0 H LYS A 76 10.404 -6.155 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 76 10.599 -7.062 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.398 -5.558 -6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.243 -4.637 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.148 -7.086 -8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.690 -7.181 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.594 -5.757 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.851 -4.547 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.135 -6.326 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.477 -6.626 -11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.465 -4.867 -12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.187 -4.250 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.793 -3.960 -11.119 1.00 0.00 H new ATOM 1193 N ALA A 77 12.476 -5.481 -5.864 1.00 0.00 N ATOM 1194 CA ALA A 77 13.653 -4.633 -5.781 1.00 0.00 C ATOM 1195 C ALA A 77 14.676 -5.083 -6.826 1.00 0.00 C ATOM 1196 O ALA A 77 15.144 -4.277 -7.629 1.00 0.00 O ATOM 1197 CB ALA A 77 14.215 -4.678 -4.358 1.00 0.00 C ATOM 0 H ALA A 77 12.416 -6.199 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 77 13.395 -3.596 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.098 -4.042 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.460 -4.321 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.488 -5.703 -4.107 1.00 0.00 H new ATOM 1203 N SER A 78 14.993 -6.369 -6.782 1.00 0.00 N ATOM 1204 CA SER A 78 15.951 -6.936 -7.715 1.00 0.00 C ATOM 1205 C SER A 78 15.673 -6.420 -9.129 1.00 0.00 C ATOM 1206 O SER A 78 16.543 -5.815 -9.754 1.00 0.00 O ATOM 1207 CB SER A 78 15.906 -8.465 -7.690 1.00 0.00 C ATOM 1208 OG SER A 78 16.985 -9.018 -6.941 1.00 0.00 O ATOM 0 H SER A 78 14.603 -7.034 -6.114 1.00 0.00 H new ATOM 0 HA SER A 78 16.950 -6.624 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.960 -8.793 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.941 -8.846 -8.711 1.00 0.00 H new ATOM 0 HG SER A 78 16.920 -9.996 -6.947 1.00 0.00 H new ATOM 1214 N THR A 79 14.459 -6.678 -9.590 1.00 0.00 N ATOM 1215 CA THR A 79 14.056 -6.247 -10.918 1.00 0.00 C ATOM 1216 C THR A 79 14.165 -4.726 -11.041 1.00 0.00 C ATOM 1217 O THR A 79 14.843 -4.219 -11.933 1.00 0.00 O ATOM 1218 CB THR A 79 12.645 -6.778 -11.180 1.00 0.00 C ATOM 1219 OG1 THR A 79 12.830 -8.180 -11.362 1.00 0.00 O ATOM 1220 CG2 THR A 79 12.078 -6.300 -12.518 1.00 0.00 C ATOM 0 H THR A 79 13.741 -7.180 -9.068 1.00 0.00 H new ATOM 0 HA THR A 79 14.718 -6.652 -11.683 1.00 0.00 H new ATOM 0 HB THR A 79 11.983 -6.464 -10.373 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.964 -8.604 -11.536 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.075 -6.705 -12.654 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.033 -5.211 -12.526 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.721 -6.643 -13.329 1.00 0.00 H new ATOM 1228 N SER A 80 13.486 -4.041 -10.133 1.00 0.00 N ATOM 1229 CA SER A 80 13.498 -2.588 -10.128 1.00 0.00 C ATOM 1230 C SER A 80 14.911 -2.075 -10.411 1.00 0.00 C ATOM 1231 O SER A 80 15.138 -1.385 -11.404 1.00 0.00 O ATOM 1232 CB SER A 80 12.991 -2.037 -8.794 1.00 0.00 C ATOM 1233 OG SER A 80 12.971 -0.612 -8.778 1.00 0.00 O ATOM 0 H SER A 80 12.924 -4.465 -9.395 1.00 0.00 H new ATOM 0 HA SER A 80 12.827 -2.238 -10.913 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.987 -2.416 -8.603 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.627 -2.400 -7.987 1.00 0.00 H new ATOM 0 HG SER A 80 12.640 -0.299 -7.910 1.00 0.00 H new ATOM 1239 N LEU A 81 15.825 -2.433 -9.521 1.00 0.00 N ATOM 1240 CA LEU A 81 17.211 -2.018 -9.663 1.00 0.00 C ATOM 1241 C LEU A 81 17.685 -2.317 -11.086 1.00 0.00 C ATOM 1242 O LEU A 81 18.037 -1.404 -11.832 1.00 0.00 O ATOM 1243 CB LEU A 81 18.077 -2.662 -8.578 1.00 0.00 C ATOM 1244 CG LEU A 81 18.621 -1.716 -7.505 1.00 0.00 C ATOM 1245 CD1 LEU A 81 19.193 -2.500 -6.322 1.00 0.00 C ATOM 1246 CD2 LEU A 81 19.643 -0.745 -8.098 1.00 0.00 C ATOM 0 H LEU A 81 15.633 -3.006 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 81 17.304 -0.942 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 81 17.491 -3.438 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 81 18.920 -3.156 -9.060 1.00 0.00 H new ATOM 0 HG LEU A 81 17.793 -1.118 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.573 -1.804 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 81 18.409 -3.115 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.005 -3.140 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.014 -0.084 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.475 -1.307 -8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 81 19.170 -0.151 -8.880 1.00 0.00 H new ATOM 1258 N GLN A 82 17.680 -3.599 -11.420 1.00 0.00 N ATOM 1259 CA GLN A 82 18.106 -4.029 -12.741 1.00 0.00 C ATOM 1260 C GLN A 82 17.583 -3.065 -13.808 1.00 0.00 C ATOM 1261 O GLN A 82 18.366 -2.441 -14.523 1.00 0.00 O ATOM 1262 CB GLN A 82 17.648 -5.461 -13.025 1.00 0.00 C ATOM 1263 CG GLN A 82 18.846 -6.397 -13.195 1.00 0.00 C ATOM 1264 CD GLN A 82 19.224 -6.542 -14.671 1.00 0.00 C ATOM 1265 OE1 GLN A 82 18.387 -6.518 -15.558 1.00 0.00 O ATOM 1266 NE2 GLN A 82 20.529 -6.692 -14.883 1.00 0.00 N ATOM 0 H GLN A 82 17.388 -4.354 -10.799 1.00 0.00 H new ATOM 0 HA GLN A 82 19.196 -4.017 -12.772 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.019 -5.814 -12.208 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.037 -5.479 -13.928 1.00 0.00 H new ATOM 0 HG2 GLN A 82 19.697 -6.010 -12.634 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.609 -7.376 -12.779 1.00 0.00 H new ATOM 0 HE21 GLN A 82 21.176 -6.703 -14.094 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.883 -6.796 -15.834 1.00 0.00 H new ATOM 1275 N ASP A 83 16.263 -2.973 -13.882 1.00 0.00 N ATOM 1276 CA ASP A 83 15.627 -2.096 -14.849 1.00 0.00 C ATOM 1277 C ASP A 83 16.406 -0.781 -14.929 1.00 0.00 C ATOM 1278 O ASP A 83 16.864 -0.392 -16.002 1.00 0.00 O ATOM 1279 CB ASP A 83 14.191 -1.769 -14.435 1.00 0.00 C ATOM 1280 CG ASP A 83 13.138 -2.775 -14.903 1.00 0.00 C ATOM 1281 OD1 ASP A 83 12.726 -2.661 -16.077 1.00 0.00 O ATOM 1282 OD2 ASP A 83 12.769 -3.636 -14.075 1.00 0.00 O ATOM 0 H ASP A 83 15.617 -3.492 -13.287 1.00 0.00 H new ATOM 0 HA ASP A 83 15.618 -2.607 -15.812 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.149 -1.701 -13.348 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.931 -0.785 -14.826 1.00 0.00 H new ATOM 1287 N SER A 84 16.534 -0.135 -13.780 1.00 0.00 N ATOM 1288 CA SER A 84 17.250 1.127 -13.706 1.00 0.00 C ATOM 1289 C SER A 84 18.658 0.964 -14.283 1.00 0.00 C ATOM 1290 O SER A 84 19.084 1.756 -15.123 1.00 0.00 O ATOM 1291 CB SER A 84 17.323 1.636 -12.265 1.00 0.00 C ATOM 1292 OG SER A 84 18.112 2.817 -12.156 1.00 0.00 O ATOM 0 H SER A 84 16.154 -0.462 -12.892 1.00 0.00 H new ATOM 0 HA SER A 84 16.705 1.864 -14.296 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.316 1.838 -11.900 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.743 0.859 -11.627 1.00 0.00 H new ATOM 0 HG SER A 84 18.133 3.111 -11.221 1.00 0.00 H new ATOM 1298 N GLY A 85 19.341 -0.067 -13.810 1.00 0.00 N ATOM 1299 CA GLY A 85 20.692 -0.344 -14.268 1.00 0.00 C ATOM 1300 C GLY A 85 21.222 -1.643 -13.658 1.00 0.00 C ATOM 1301 O GLY A 85 20.758 -2.073 -12.603 1.00 0.00 O ATOM 0 H GLY A 85 18.984 -0.721 -13.114 1.00 0.00 H new ATOM 0 HA2 GLY A 85 20.703 -0.418 -15.355 1.00 0.00 H new ATOM 0 HA3 GLY A 85 21.348 0.483 -13.998 1.00 0.00 H new ATOM 1305 N PRO A 86 22.214 -2.248 -14.366 1.00 0.00 N ATOM 1306 CA PRO A 86 22.812 -3.489 -13.905 1.00 0.00 C ATOM 1307 C PRO A 86 23.759 -3.238 -12.729 1.00 0.00 C ATOM 1308 O PRO A 86 24.147 -2.099 -12.473 1.00 0.00 O ATOM 1309 CB PRO A 86 23.518 -4.061 -15.123 1.00 0.00 C ATOM 1310 CG PRO A 86 23.682 -2.902 -16.093 1.00 0.00 C ATOM 1311 CD PRO A 86 22.788 -1.768 -15.619 1.00 0.00 C ATOM 0 HA PRO A 86 22.075 -4.194 -13.520 1.00 0.00 H new ATOM 0 HB2 PRO A 86 24.486 -4.483 -14.851 1.00 0.00 H new ATOM 0 HB3 PRO A 86 22.934 -4.865 -15.571 1.00 0.00 H new ATOM 0 HG2 PRO A 86 24.722 -2.579 -16.129 1.00 0.00 H new ATOM 0 HG3 PRO A 86 23.408 -3.208 -17.103 1.00 0.00 H new ATOM 0 HD2 PRO A 86 23.358 -0.851 -15.468 1.00 0.00 H new ATOM 0 HD3 PRO A 86 22.011 -1.544 -16.350 1.00 0.00 H new ATOM 1319 N SER A 87 24.102 -4.320 -12.046 1.00 0.00 N ATOM 1320 CA SER A 87 24.995 -4.231 -10.904 1.00 0.00 C ATOM 1321 C SER A 87 25.416 -5.633 -10.458 1.00 0.00 C ATOM 1322 O SER A 87 24.796 -6.623 -10.844 1.00 0.00 O ATOM 1323 CB SER A 87 24.335 -3.481 -9.745 1.00 0.00 C ATOM 1324 OG SER A 87 23.142 -4.124 -9.304 1.00 0.00 O ATOM 0 H SER A 87 23.778 -5.263 -12.262 1.00 0.00 H new ATOM 0 HA SER A 87 25.880 -3.671 -11.206 1.00 0.00 H new ATOM 0 HB2 SER A 87 25.036 -3.408 -8.914 1.00 0.00 H new ATOM 0 HB3 SER A 87 24.104 -2.462 -10.057 1.00 0.00 H new ATOM 0 HG SER A 87 22.752 -3.616 -8.562 1.00 0.00 H new ATOM 1330 N SER A 88 26.466 -5.673 -9.650 1.00 0.00 N ATOM 1331 CA SER A 88 26.976 -6.937 -9.148 1.00 0.00 C ATOM 1332 C SER A 88 27.778 -6.705 -7.866 1.00 0.00 C ATOM 1333 O SER A 88 28.529 -5.736 -7.766 1.00 0.00 O ATOM 1334 CB SER A 88 27.842 -7.637 -10.197 1.00 0.00 C ATOM 1335 OG SER A 88 28.413 -8.844 -9.698 1.00 0.00 O ATOM 0 H SER A 88 26.977 -4.850 -9.331 1.00 0.00 H new ATOM 0 HA SER A 88 26.128 -7.585 -8.926 1.00 0.00 H new ATOM 0 HB2 SER A 88 27.238 -7.858 -11.077 1.00 0.00 H new ATOM 0 HB3 SER A 88 28.638 -6.965 -10.518 1.00 0.00 H new ATOM 0 HG SER A 88 28.957 -9.262 -10.398 1.00 0.00 H new ATOM 1341 N GLY A 89 27.591 -7.611 -6.917 1.00 0.00 N ATOM 1342 CA GLY A 89 28.288 -7.517 -5.645 1.00 0.00 C ATOM 1343 C GLY A 89 27.745 -6.358 -4.807 1.00 0.00 C ATOM 1344 O GLY A 89 26.614 -6.411 -4.327 1.00 0.00 O ATOM 0 H GLY A 89 26.967 -8.413 -7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 89 28.177 -8.452 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 89 29.354 -7.375 -5.820 1.00 0.00 H new TER 1348 GLY A 89