USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 905 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= -0.876 X(o=-8.1,f=-7.6) USER MOD Set 1.2: A 68 GLN : amide:sc= -7.19! C(o=-8.1!,f=-15!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.176 USER MOD Single : A 30 CYS SG : rot 171:sc= -3.83! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 130:sc= -2.27! USER MOD Single : A 35 ASN : amide:sc= -6.33! C(o=-6.3!,f=-9.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 118:sc= -2.37! USER MOD Single : A 57 MET CE :methyl -157:sc= -0.679 (180deg=-2.18!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= -0.703 (180deg=-0.75) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.01 K(o=-1,f=-0.29) USER MOD Single : A 73 HIS : no HD1:sc= -18.5! C(o=-18!,f=-22!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -122:sc= -3.24! (180deg=-8.64!) USER MOD Single : A 82 THR OG1 : rot 120:sc= -1.97 USER MOD Single : A 84 HIS : no HD1:sc= -1.97! C(o=-2!,f=-7.1!) USER MOD Single : A 85 SER OG : rot -89:sc= 0.0606 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 30:sc= 0.0597 USER MOD Single : A 95 GLN : amide:sc= -7.11! C(o=-7.1!,f=-4!) USER MOD Single : A 96 GLN : amide:sc= -5.98! C(o=-6!,f=-11!) USER MOD Single : A 101 TYR OH : rot -139:sc= -1.94! USER MOD Single : A 104 LYS NZ :NH3+ -162:sc= 0.126 (180deg=0.0623) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= -0.129 K(o=-0.13,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 4 10.010 -10.334 -5.290 1.00 0.00 N ATOM 62 CA GLY A 4 10.027 -9.179 -4.412 1.00 0.00 C ATOM 63 C GLY A 4 9.468 -7.963 -5.111 1.00 0.00 C ATOM 64 O GLY A 4 10.204 -7.234 -5.775 1.00 0.00 O ATOM 0 HA2 GLY A 4 9.443 -9.389 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.048 -8.979 -4.087 1.00 0.00 H new ATOM 68 N ILE A 5 8.158 -7.759 -5.007 1.00 0.00 N ATOM 69 CA ILE A 5 7.522 -6.641 -5.686 1.00 0.00 C ATOM 70 C ILE A 5 6.739 -5.747 -4.727 1.00 0.00 C ATOM 71 O ILE A 5 5.771 -6.183 -4.103 1.00 0.00 O ATOM 72 CB ILE A 5 6.549 -7.140 -6.775 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.114 -8.358 -7.524 1.00 0.00 C ATOM 74 CG2 ILE A 5 6.222 -6.020 -7.754 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.589 -8.273 -7.862 1.00 0.00 C ATOM 0 H ILE A 5 7.525 -8.347 -4.465 1.00 0.00 H new ATOM 0 HA ILE A 5 8.330 -6.061 -6.132 1.00 0.00 H new ATOM 0 HB ILE A 5 5.631 -7.452 -6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.946 -9.248 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.552 -8.490 -8.448 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.535 -6.391 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.758 -5.192 -7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.139 -5.675 -8.231 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.894 -9.177 -8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.767 -7.405 -8.497 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.168 -8.175 -6.944 1.00 0.00 H new ATOM 87 N VAL A 6 7.144 -4.484 -4.644 1.00 0.00 N ATOM 88 CA VAL A 6 6.461 -3.519 -3.796 1.00 0.00 C ATOM 89 C VAL A 6 5.639 -2.567 -4.651 1.00 0.00 C ATOM 90 O VAL A 6 6.168 -1.904 -5.541 1.00 0.00 O ATOM 91 CB VAL A 6 7.442 -2.696 -2.930 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.203 -1.676 -3.768 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.696 -1.993 -1.807 1.00 0.00 C ATOM 0 H VAL A 6 7.942 -4.107 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 6 5.815 -4.086 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 6 8.165 -3.389 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.884 -1.115 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.773 -2.192 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.497 -0.990 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.401 -1.418 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.948 -1.322 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.203 -2.734 -1.178 1.00 0.00 H new ATOM 103 N TRP A 7 4.348 -2.502 -4.387 1.00 0.00 N ATOM 104 CA TRP A 7 3.481 -1.623 -5.147 1.00 0.00 C ATOM 105 C TRP A 7 3.061 -0.444 -4.292 1.00 0.00 C ATOM 106 O TRP A 7 2.785 -0.593 -3.105 1.00 0.00 O ATOM 107 CB TRP A 7 2.286 -2.403 -5.689 1.00 0.00 C ATOM 108 CG TRP A 7 2.644 -3.173 -6.926 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.906 -3.448 -7.378 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.744 -3.755 -7.874 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.844 -4.157 -8.551 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.528 -4.362 -8.875 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.355 -3.822 -7.974 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.964 -5.024 -9.961 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.204 -4.481 -9.052 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.599 -5.074 -10.034 1.00 0.00 C ATOM 0 H TRP A 7 3.880 -3.042 -3.659 1.00 0.00 H new ATOM 0 HA TRP A 7 4.022 -1.225 -6.006 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.922 -3.090 -4.925 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.472 -1.714 -5.912 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.819 -3.150 -6.883 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.646 -4.479 -9.093 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.273 -3.367 -7.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.582 -5.482 -10.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.279 -4.540 -9.139 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.131 -5.581 -10.865 1.00 0.00 H new ATOM 127 N VAL A 8 3.074 0.740 -4.890 1.00 0.00 N ATOM 128 CA VAL A 8 2.749 1.955 -4.160 1.00 0.00 C ATOM 129 C VAL A 8 1.731 2.818 -4.896 1.00 0.00 C ATOM 130 O VAL A 8 1.751 2.921 -6.118 1.00 0.00 O ATOM 131 CB VAL A 8 4.017 2.816 -3.922 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.938 3.531 -2.583 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.295 1.981 -4.013 1.00 0.00 C ATOM 0 H VAL A 8 3.305 0.883 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 8 2.323 1.629 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 8 4.057 3.564 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.837 4.129 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.063 4.181 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.857 2.796 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.161 2.621 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.270 1.194 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.367 1.533 -5.004 1.00 0.00 H new ATOM 143 N VAL A 9 0.860 3.465 -4.137 1.00 0.00 N ATOM 144 CA VAL A 9 -0.137 4.356 -4.721 1.00 0.00 C ATOM 145 C VAL A 9 -0.191 5.670 -3.940 1.00 0.00 C ATOM 146 O VAL A 9 -0.723 5.717 -2.833 1.00 0.00 O ATOM 147 CB VAL A 9 -1.549 3.712 -4.773 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.149 3.885 -6.158 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.501 2.239 -4.403 1.00 0.00 C ATOM 0 H VAL A 9 0.821 3.392 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 9 0.169 4.551 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.178 4.220 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.139 3.430 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.231 4.947 -6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.508 3.402 -6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.506 1.819 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.854 1.709 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.109 2.130 -3.392 1.00 0.00 H new ATOM 159 N ASP A 10 0.372 6.735 -4.531 1.00 0.00 N ATOM 160 CA ASP A 10 0.402 8.067 -3.904 1.00 0.00 C ATOM 161 C ASP A 10 1.370 9.003 -4.633 1.00 0.00 C ATOM 162 O ASP A 10 2.572 8.754 -4.683 1.00 0.00 O ATOM 163 CB ASP A 10 0.814 7.991 -2.423 1.00 0.00 C ATOM 164 CG ASP A 10 0.684 9.334 -1.715 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.290 10.317 -2.378 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.975 9.404 -0.498 1.00 0.00 O ATOM 0 H ASP A 10 0.816 6.699 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.612 8.462 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.194 7.253 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.845 7.644 -2.353 1.00 0.00 H new ATOM 171 N ASP A 11 0.834 10.088 -5.178 1.00 0.00 N ATOM 172 CA ASP A 11 1.631 11.092 -5.887 1.00 0.00 C ATOM 173 C ASP A 11 2.156 10.596 -7.238 1.00 0.00 C ATOM 174 O ASP A 11 2.573 11.400 -8.072 1.00 0.00 O ATOM 175 CB ASP A 11 2.800 11.559 -5.017 1.00 0.00 C ATOM 176 CG ASP A 11 2.977 13.065 -5.054 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.492 13.695 -6.017 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.600 13.614 -4.121 1.00 0.00 O ATOM 0 H ASP A 11 -0.163 10.300 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 11 0.962 11.929 -6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.635 11.240 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.718 11.079 -5.356 1.00 0.00 H new ATOM 183 N ASP A 12 2.138 9.284 -7.463 1.00 0.00 N ATOM 184 CA ASP A 12 2.618 8.724 -8.722 1.00 0.00 C ATOM 185 C ASP A 12 4.139 8.907 -8.862 1.00 0.00 C ATOM 186 O ASP A 12 4.877 8.728 -7.891 1.00 0.00 O ATOM 187 CB ASP A 12 1.868 9.367 -9.898 1.00 0.00 C ATOM 188 CG ASP A 12 1.745 8.435 -11.089 1.00 0.00 C ATOM 189 OD1 ASP A 12 2.604 7.540 -11.234 1.00 0.00 O ATOM 190 OD2 ASP A 12 0.790 8.600 -11.876 1.00 0.00 O ATOM 0 H ASP A 12 1.798 8.593 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 12 2.419 7.652 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.872 9.665 -9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.388 10.275 -10.204 1.00 0.00 H new ATOM 195 N SER A 13 4.601 9.246 -10.074 1.00 0.00 N ATOM 196 CA SER A 13 6.028 9.436 -10.360 1.00 0.00 C ATOM 197 C SER A 13 6.802 9.992 -9.172 1.00 0.00 C ATOM 198 O SER A 13 7.909 9.547 -8.874 1.00 0.00 O ATOM 199 CB SER A 13 6.199 10.367 -11.559 1.00 0.00 C ATOM 200 OG SER A 13 7.547 10.396 -11.996 1.00 0.00 O ATOM 0 H SER A 13 3.996 9.396 -10.882 1.00 0.00 H new ATOM 0 HA SER A 13 6.438 8.451 -10.582 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.556 10.036 -12.375 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.879 11.374 -11.290 1.00 0.00 H new ATOM 0 HG SER A 13 7.629 10.998 -12.765 1.00 0.00 H new ATOM 206 N SER A 14 6.218 10.970 -8.507 1.00 0.00 N ATOM 207 CA SER A 14 6.857 11.597 -7.354 1.00 0.00 C ATOM 208 C SER A 14 7.273 10.547 -6.330 1.00 0.00 C ATOM 209 O SER A 14 8.461 10.287 -6.139 1.00 0.00 O ATOM 210 CB SER A 14 5.923 12.621 -6.709 1.00 0.00 C ATOM 211 OG SER A 14 6.555 13.275 -5.623 1.00 0.00 O ATOM 0 H SER A 14 5.302 11.352 -8.741 1.00 0.00 H new ATOM 0 HA SER A 14 7.751 12.114 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.617 13.357 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.018 12.124 -6.361 1.00 0.00 H new ATOM 0 HG SER A 14 5.937 13.926 -5.229 1.00 0.00 H new ATOM 217 N ILE A 15 6.285 9.938 -5.680 1.00 0.00 N ATOM 218 CA ILE A 15 6.550 8.911 -4.684 1.00 0.00 C ATOM 219 C ILE A 15 7.219 7.692 -5.323 1.00 0.00 C ATOM 220 O ILE A 15 7.866 6.898 -4.642 1.00 0.00 O ATOM 221 CB ILE A 15 5.254 8.484 -3.957 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.698 9.654 -3.139 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.510 7.282 -3.056 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.542 10.010 -1.934 1.00 0.00 C ATOM 0 H ILE A 15 5.296 10.139 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 15 7.230 9.339 -3.947 1.00 0.00 H new ATOM 0 HB ILE A 15 4.517 8.196 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.614 10.529 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.690 9.406 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.584 6.999 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.867 6.446 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.262 7.540 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.086 10.846 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.606 9.150 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.543 10.290 -2.261 1.00 0.00 H new ATOM 236 N ARG A 16 7.063 7.558 -6.639 1.00 0.00 N ATOM 237 CA ARG A 16 7.653 6.446 -7.380 1.00 0.00 C ATOM 238 C ARG A 16 9.176 6.553 -7.408 1.00 0.00 C ATOM 239 O ARG A 16 9.880 5.648 -6.967 1.00 0.00 O ATOM 240 CB ARG A 16 7.119 6.421 -8.812 1.00 0.00 C ATOM 241 CG ARG A 16 7.543 5.189 -9.599 1.00 0.00 C ATOM 242 CD ARG A 16 7.582 5.463 -11.094 1.00 0.00 C ATOM 243 NE ARG A 16 8.622 6.426 -11.448 1.00 0.00 N ATOM 244 CZ ARG A 16 9.353 6.360 -12.561 1.00 0.00 C ATOM 245 NH1 ARG A 16 9.170 5.376 -13.434 1.00 0.00 N ATOM 246 NH2 ARG A 16 10.273 7.285 -12.802 1.00 0.00 N ATOM 0 H ARG A 16 6.530 8.209 -7.216 1.00 0.00 H new ATOM 0 HA ARG A 16 7.376 5.522 -6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.030 6.468 -8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.464 7.313 -9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.527 4.863 -9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.851 4.372 -9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.755 4.529 -11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.613 5.841 -11.419 1.00 0.00 H new ATOM 0 HE ARG A 16 8.800 7.197 -10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.465 4.661 -13.256 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.735 5.335 -14.282 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.420 8.044 -12.137 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.834 7.237 -13.653 1.00 0.00 H new ATOM 260 N TRP A 17 9.673 7.666 -7.944 1.00 0.00 N ATOM 261 CA TRP A 17 11.111 7.900 -8.050 1.00 0.00 C ATOM 262 C TRP A 17 11.819 7.683 -6.715 1.00 0.00 C ATOM 263 O TRP A 17 12.880 7.061 -6.657 1.00 0.00 O ATOM 264 CB TRP A 17 11.378 9.321 -8.553 1.00 0.00 C ATOM 265 CG TRP A 17 12.836 9.639 -8.694 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.666 9.247 -9.706 1.00 0.00 C ATOM 267 CD2 TRP A 17 13.638 10.407 -7.789 1.00 0.00 C ATOM 268 NE1 TRP A 17 14.937 9.721 -9.483 1.00 0.00 N ATOM 269 CE2 TRP A 17 14.945 10.437 -8.313 1.00 0.00 C ATOM 270 CE3 TRP A 17 13.380 11.072 -6.588 1.00 0.00 C ATOM 271 CZ2 TRP A 17 15.988 11.105 -7.675 1.00 0.00 C ATOM 272 CZ3 TRP A 17 14.416 11.735 -5.957 1.00 0.00 C ATOM 273 CH2 TRP A 17 15.705 11.747 -6.501 1.00 0.00 C ATOM 0 H TRP A 17 9.098 8.423 -8.313 1.00 0.00 H new ATOM 0 HA TRP A 17 11.510 7.179 -8.763 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.890 9.454 -9.518 1.00 0.00 H new ATOM 0 HB3 TRP A 17 10.923 10.033 -7.865 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.367 8.652 -10.556 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.743 9.566 -10.089 1.00 0.00 H new ATOM 0 HE3 TRP A 17 12.388 11.068 -6.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 16.984 11.115 -8.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.227 12.253 -5.028 1.00 0.00 H new ATOM 0 HH2 TRP A 17 16.493 12.274 -5.983 1.00 0.00 H new ATOM 284 N VAL A 18 11.239 8.213 -5.648 1.00 0.00 N ATOM 285 CA VAL A 18 11.837 8.083 -4.327 1.00 0.00 C ATOM 286 C VAL A 18 11.920 6.634 -3.881 1.00 0.00 C ATOM 287 O VAL A 18 13.000 6.117 -3.595 1.00 0.00 O ATOM 288 CB VAL A 18 11.061 8.879 -3.252 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.956 9.158 -2.056 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.512 10.181 -3.815 1.00 0.00 C ATOM 0 H VAL A 18 10.362 8.733 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 18 12.842 8.493 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 18 10.216 8.271 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.398 9.719 -1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.294 8.215 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.820 9.741 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.972 10.716 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.336 10.798 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.834 9.963 -4.640 1.00 0.00 H new ATOM 300 N LEU A 19 10.767 6.002 -3.774 1.00 0.00 N ATOM 301 CA LEU A 19 10.684 4.624 -3.301 1.00 0.00 C ATOM 302 C LEU A 19 11.196 3.603 -4.311 1.00 0.00 C ATOM 303 O LEU A 19 11.543 2.485 -3.934 1.00 0.00 O ATOM 304 CB LEU A 19 9.247 4.279 -2.907 1.00 0.00 C ATOM 305 CG LEU A 19 9.084 2.947 -2.172 1.00 0.00 C ATOM 306 CD1 LEU A 19 10.108 2.829 -1.052 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.673 2.810 -1.621 1.00 0.00 C ATOM 0 H LEU A 19 9.867 6.420 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 19 11.337 4.565 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.857 5.077 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.634 4.258 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 19 9.255 2.138 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.978 1.876 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.113 2.882 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.967 3.645 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.576 1.857 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.474 3.624 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.956 2.851 -2.441 1.00 0.00 H new ATOM 319 N GLU A 20 11.231 3.963 -5.588 1.00 0.00 N ATOM 320 CA GLU A 20 11.692 3.026 -6.606 1.00 0.00 C ATOM 321 C GLU A 20 13.170 2.718 -6.447 1.00 0.00 C ATOM 322 O GLU A 20 13.569 1.561 -6.326 1.00 0.00 O ATOM 323 CB GLU A 20 11.404 3.532 -8.024 1.00 0.00 C ATOM 324 CG GLU A 20 12.260 4.698 -8.486 1.00 0.00 C ATOM 325 CD GLU A 20 11.937 5.121 -9.905 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.737 5.234 -10.232 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.884 5.339 -10.689 1.00 0.00 O ATOM 0 H GLU A 20 10.952 4.879 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 20 11.129 2.104 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.540 2.705 -8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.356 3.828 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.112 5.544 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.312 4.421 -8.422 1.00 0.00 H new ATOM 334 N ARG A 21 13.974 3.760 -6.457 1.00 0.00 N ATOM 335 CA ARG A 21 15.415 3.611 -6.325 1.00 0.00 C ATOM 336 C ARG A 21 15.792 3.003 -4.978 1.00 0.00 C ATOM 337 O ARG A 21 16.464 1.974 -4.922 1.00 0.00 O ATOM 338 CB ARG A 21 16.108 4.962 -6.499 1.00 0.00 C ATOM 339 CG ARG A 21 16.039 5.506 -7.916 1.00 0.00 C ATOM 340 CD ARG A 21 17.336 5.259 -8.671 1.00 0.00 C ATOM 341 NE ARG A 21 17.092 4.795 -10.033 1.00 0.00 N ATOM 342 CZ ARG A 21 17.960 4.076 -10.741 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.136 3.741 -10.221 1.00 0.00 N ATOM 344 NH2 ARG A 21 17.655 3.693 -11.972 1.00 0.00 N ATOM 0 H ARG A 21 13.657 4.724 -6.555 1.00 0.00 H new ATOM 0 HA ARG A 21 15.750 2.932 -7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.654 5.683 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.154 4.864 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.212 5.036 -8.448 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.832 6.576 -7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.920 6.179 -8.700 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.932 4.519 -8.137 1.00 0.00 H new ATOM 0 HE ARG A 21 16.202 5.036 -10.469 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.377 4.035 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.797 3.190 -10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.755 3.949 -12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.320 3.142 -12.514 1.00 0.00 H new ATOM 358 N ALA A 22 15.371 3.646 -3.894 1.00 0.00 N ATOM 359 CA ALA A 22 15.688 3.161 -2.554 1.00 0.00 C ATOM 360 C ALA A 22 15.256 1.720 -2.356 1.00 0.00 C ATOM 361 O ALA A 22 16.031 0.885 -1.891 1.00 0.00 O ATOM 362 CB ALA A 22 15.064 4.054 -1.493 1.00 0.00 C ATOM 0 H ALA A 22 14.813 4.499 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 22 16.772 3.197 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.314 3.672 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.449 5.068 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.981 4.062 -1.616 1.00 0.00 H new ATOM 368 N LEU A 23 14.021 1.431 -2.708 1.00 0.00 N ATOM 369 CA LEU A 23 13.493 0.081 -2.565 1.00 0.00 C ATOM 370 C LEU A 23 14.157 -0.857 -3.568 1.00 0.00 C ATOM 371 O LEU A 23 14.237 -2.075 -3.352 1.00 0.00 O ATOM 372 CB LEU A 23 11.972 0.079 -2.734 1.00 0.00 C ATOM 373 CG LEU A 23 11.242 -1.169 -2.219 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.124 -2.210 -3.322 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.940 -1.758 -0.998 1.00 0.00 C ATOM 0 H LEU A 23 13.362 2.107 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 23 13.720 -0.279 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.568 0.951 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.743 0.199 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 23 10.240 -0.867 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.604 -3.088 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.564 -1.792 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.120 -2.497 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.397 -2.640 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.960 -2.038 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.963 -1.017 -0.199 1.00 0.00 H new ATOM 387 N ALA A 24 14.660 -0.284 -4.656 1.00 0.00 N ATOM 388 CA ALA A 24 15.346 -1.066 -5.663 1.00 0.00 C ATOM 389 C ALA A 24 16.677 -1.546 -5.104 1.00 0.00 C ATOM 390 O ALA A 24 17.141 -2.638 -5.425 1.00 0.00 O ATOM 391 CB ALA A 24 15.556 -0.249 -6.928 1.00 0.00 C ATOM 0 H ALA A 24 14.603 0.714 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 24 14.735 -1.930 -5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.073 -0.856 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.590 0.064 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.156 0.631 -6.697 1.00 0.00 H new ATOM 397 N GLY A 25 17.274 -0.724 -4.239 1.00 0.00 N ATOM 398 CA GLY A 25 18.531 -1.091 -3.620 1.00 0.00 C ATOM 399 C GLY A 25 18.387 -2.349 -2.791 1.00 0.00 C ATOM 400 O GLY A 25 19.347 -3.099 -2.610 1.00 0.00 O ATOM 0 H GLY A 25 16.907 0.186 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.287 -1.244 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.880 -0.274 -2.988 1.00 0.00 H new ATOM 404 N ALA A 26 17.173 -2.583 -2.299 1.00 0.00 N ATOM 405 CA ALA A 26 16.885 -3.762 -1.500 1.00 0.00 C ATOM 406 C ALA A 26 16.744 -4.992 -2.393 1.00 0.00 C ATOM 407 O ALA A 26 16.796 -6.126 -1.916 1.00 0.00 O ATOM 408 CB ALA A 26 15.621 -3.549 -0.680 1.00 0.00 C ATOM 0 H ALA A 26 16.373 -1.967 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 26 17.717 -3.929 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.418 -4.440 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.757 -2.695 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.781 -3.359 -1.349 1.00 0.00 H new ATOM 414 N GLY A 27 16.583 -4.757 -3.696 1.00 0.00 N ATOM 415 CA GLY A 27 16.460 -5.849 -4.638 1.00 0.00 C ATOM 416 C GLY A 27 15.026 -6.206 -4.995 1.00 0.00 C ATOM 417 O GLY A 27 14.763 -7.340 -5.396 1.00 0.00 O ATOM 0 H GLY A 27 16.536 -3.827 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.996 -5.589 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.949 -6.730 -4.222 1.00 0.00 H new ATOM 421 N LEU A 28 14.087 -5.265 -4.863 1.00 0.00 N ATOM 422 CA LEU A 28 12.696 -5.558 -5.197 1.00 0.00 C ATOM 423 C LEU A 28 12.129 -4.590 -6.233 1.00 0.00 C ATOM 424 O LEU A 28 12.698 -3.529 -6.489 1.00 0.00 O ATOM 425 CB LEU A 28 11.817 -5.566 -3.948 1.00 0.00 C ATOM 426 CG LEU A 28 12.534 -5.908 -2.644 1.00 0.00 C ATOM 427 CD1 LEU A 28 13.043 -4.649 -1.965 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.606 -6.680 -1.723 1.00 0.00 C ATOM 0 H LEU A 28 14.261 -4.315 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 28 12.689 -6.554 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.356 -4.584 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.009 -6.283 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 28 13.394 -6.537 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.551 -4.915 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.741 -4.136 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.203 -3.991 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.128 -6.918 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.728 -6.074 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.294 -7.603 -2.211 1.00 0.00 H new ATOM 440 N THR A 29 11.001 -4.974 -6.829 1.00 0.00 N ATOM 441 CA THR A 29 10.349 -4.150 -7.846 1.00 0.00 C ATOM 442 C THR A 29 9.448 -3.104 -7.203 1.00 0.00 C ATOM 443 O THR A 29 8.728 -3.393 -6.253 1.00 0.00 O ATOM 444 CB THR A 29 9.540 -5.021 -8.812 1.00 0.00 C ATOM 445 OG1 THR A 29 10.389 -5.931 -9.492 1.00 0.00 O ATOM 446 CG2 THR A 29 8.792 -4.220 -9.858 1.00 0.00 C ATOM 0 H THR A 29 10.520 -5.850 -6.625 1.00 0.00 H new ATOM 0 HA THR A 29 11.128 -3.635 -8.409 1.00 0.00 H new ATOM 0 HB THR A 29 8.812 -5.545 -8.192 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.890 -6.368 -10.213 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.240 -4.898 -10.509 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.095 -3.541 -9.367 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.502 -3.644 -10.452 1.00 0.00 H new ATOM 454 N CYS A 30 9.509 -1.884 -7.719 1.00 0.00 N ATOM 455 CA CYS A 30 8.715 -0.787 -7.183 1.00 0.00 C ATOM 456 C CYS A 30 7.910 -0.086 -8.275 1.00 0.00 C ATOM 457 O CYS A 30 8.470 0.596 -9.134 1.00 0.00 O ATOM 458 CB CYS A 30 9.632 0.219 -6.477 1.00 0.00 C ATOM 459 SG CYS A 30 11.349 -0.337 -6.278 1.00 0.00 S ATOM 0 H CYS A 30 10.101 -1.629 -8.509 1.00 0.00 H new ATOM 0 HA CYS A 30 8.007 -1.203 -6.467 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.629 1.152 -7.041 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.219 0.440 -5.493 1.00 0.00 H new ATOM 0 HG CYS A 30 12.079 0.652 -5.854 1.00 0.00 H new ATOM 465 N THR A 31 6.589 -0.240 -8.220 1.00 0.00 N ATOM 466 CA THR A 31 5.704 0.400 -9.186 1.00 0.00 C ATOM 467 C THR A 31 4.690 1.257 -8.435 1.00 0.00 C ATOM 468 O THR A 31 4.315 0.933 -7.308 1.00 0.00 O ATOM 469 CB THR A 31 5.004 -0.646 -10.074 1.00 0.00 C ATOM 470 OG1 THR A 31 4.552 -0.053 -11.277 1.00 0.00 O ATOM 471 CG2 THR A 31 3.802 -1.298 -9.432 1.00 0.00 C ATOM 0 H THR A 31 6.110 -0.802 -7.517 1.00 0.00 H new ATOM 0 HA THR A 31 6.291 1.037 -9.848 1.00 0.00 H new ATOM 0 HB THR A 31 5.762 -1.410 -10.248 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.111 -0.731 -11.831 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.368 -2.021 -10.123 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.109 -1.808 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.061 -0.536 -9.190 1.00 0.00 H new ATOM 479 N THR A 32 4.274 2.365 -9.036 1.00 0.00 N ATOM 480 CA THR A 32 3.335 3.265 -8.379 1.00 0.00 C ATOM 481 C THR A 32 2.110 3.556 -9.230 1.00 0.00 C ATOM 482 O THR A 32 2.119 3.385 -10.449 1.00 0.00 O ATOM 483 CB THR A 32 4.028 4.573 -8.025 1.00 0.00 C ATOM 484 OG1 THR A 32 4.451 5.241 -9.198 1.00 0.00 O ATOM 485 CG2 THR A 32 5.233 4.377 -7.140 1.00 0.00 C ATOM 0 H THR A 32 4.568 2.660 -9.967 1.00 0.00 H new ATOM 0 HA THR A 32 2.994 2.761 -7.475 1.00 0.00 H new ATOM 0 HB THR A 32 3.292 5.165 -7.481 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.149 6.173 -9.171 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.685 5.344 -6.921 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.927 3.901 -6.209 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.959 3.744 -7.649 1.00 0.00 H new ATOM 493 N PHE A 33 1.055 3.996 -8.558 1.00 0.00 N ATOM 494 CA PHE A 33 -0.202 4.323 -9.209 1.00 0.00 C ATOM 495 C PHE A 33 -0.775 5.641 -8.668 1.00 0.00 C ATOM 496 O PHE A 33 -0.205 6.245 -7.753 1.00 0.00 O ATOM 497 CB PHE A 33 -1.193 3.174 -9.066 1.00 0.00 C ATOM 498 CG PHE A 33 -0.605 1.823 -9.364 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.345 1.263 -8.524 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.009 1.112 -10.480 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.877 0.018 -8.793 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.479 -0.131 -10.756 1.00 0.00 C ATOM 503 CZ PHE A 33 0.464 -0.681 -9.912 1.00 0.00 C ATOM 0 H PHE A 33 1.048 4.136 -7.548 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.014 4.467 -10.273 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.588 3.172 -8.050 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.036 3.348 -9.735 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.672 1.806 -7.650 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.749 1.536 -11.143 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.615 -0.409 -8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.802 -0.674 -11.632 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.878 -1.655 -10.125 1.00 0.00 H new ATOM 513 N GLU A 34 -1.869 6.110 -9.276 1.00 0.00 N ATOM 514 CA GLU A 34 -2.490 7.380 -8.917 1.00 0.00 C ATOM 515 C GLU A 34 -2.848 7.519 -7.431 1.00 0.00 C ATOM 516 O GLU A 34 -2.483 8.518 -6.813 1.00 0.00 O ATOM 517 CB GLU A 34 -3.744 7.592 -9.774 1.00 0.00 C ATOM 518 CG GLU A 34 -4.523 6.325 -10.137 1.00 0.00 C ATOM 519 CD GLU A 34 -5.193 5.644 -8.963 1.00 0.00 C ATOM 520 OE1 GLU A 34 -4.531 4.816 -8.305 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.386 5.911 -8.719 1.00 0.00 O ATOM 0 H GLU A 34 -2.346 5.617 -10.031 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.742 8.148 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.414 8.269 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.451 8.093 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.283 6.580 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.842 5.618 -10.611 1.00 0.00 H new ATOM 528 N ASN A 35 -3.551 6.554 -6.854 1.00 0.00 N ATOM 529 CA ASN A 35 -3.924 6.645 -5.438 1.00 0.00 C ATOM 530 C ASN A 35 -4.542 5.354 -4.899 1.00 0.00 C ATOM 531 O ASN A 35 -4.540 5.124 -3.689 1.00 0.00 O ATOM 532 CB ASN A 35 -4.877 7.821 -5.213 1.00 0.00 C ATOM 533 CG ASN A 35 -4.144 9.070 -4.760 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.946 9.032 -4.489 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.859 10.185 -4.679 1.00 0.00 N ATOM 0 H ASN A 35 -3.873 5.711 -7.329 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.001 6.809 -4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.416 8.032 -6.137 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.621 7.546 -4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.416 11.055 -4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.852 10.172 -4.913 1.00 0.00 H new ATOM 542 N GLY A 36 -5.056 4.506 -5.785 1.00 0.00 N ATOM 543 CA GLY A 36 -5.640 3.260 -5.332 1.00 0.00 C ATOM 544 C GLY A 36 -6.406 2.511 -6.401 1.00 0.00 C ATOM 545 O GLY A 36 -6.254 1.300 -6.530 1.00 0.00 O ATOM 0 H GLY A 36 -5.078 4.657 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.847 2.617 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.310 3.468 -4.498 1.00 0.00 H new ATOM 549 N ASN A 37 -7.242 3.211 -7.159 1.00 0.00 N ATOM 550 CA ASN A 37 -8.034 2.558 -8.190 1.00 0.00 C ATOM 551 C ASN A 37 -7.149 1.901 -9.237 1.00 0.00 C ATOM 552 O ASN A 37 -7.449 0.809 -9.717 1.00 0.00 O ATOM 553 CB ASN A 37 -9.000 3.542 -8.843 1.00 0.00 C ATOM 554 CG ASN A 37 -10.429 3.030 -8.821 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.145 3.112 -9.818 1.00 0.00 O ATOM 556 ND2 ASN A 37 -10.849 2.494 -7.676 1.00 0.00 N ATOM 0 H ASN A 37 -7.387 4.218 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.618 1.775 -7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.949 4.499 -8.324 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.694 3.721 -9.874 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.799 2.131 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.220 2.447 -6.874 1.00 0.00 H new ATOM 563 N GLU A 38 -6.061 2.567 -9.591 1.00 0.00 N ATOM 564 CA GLU A 38 -5.145 2.032 -10.586 1.00 0.00 C ATOM 565 C GLU A 38 -4.609 0.660 -10.174 1.00 0.00 C ATOM 566 O GLU A 38 -4.711 -0.297 -10.941 1.00 0.00 O ATOM 567 CB GLU A 38 -3.985 2.989 -10.817 1.00 0.00 C ATOM 568 CG GLU A 38 -3.756 3.336 -12.279 1.00 0.00 C ATOM 569 CD GLU A 38 -3.228 2.162 -13.079 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.044 1.314 -13.495 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.998 2.090 -13.292 1.00 0.00 O ATOM 0 H GLU A 38 -5.792 3.473 -9.207 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.704 1.916 -11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.168 3.908 -10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.075 2.546 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.693 3.679 -12.719 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.050 4.164 -12.346 1.00 0.00 H new ATOM 578 N VAL A 39 -4.028 0.555 -8.970 1.00 0.00 N ATOM 579 CA VAL A 39 -3.483 -0.730 -8.521 1.00 0.00 C ATOM 580 C VAL A 39 -4.508 -1.844 -8.660 1.00 0.00 C ATOM 581 O VAL A 39 -4.208 -2.918 -9.174 1.00 0.00 O ATOM 582 CB VAL A 39 -3.004 -0.691 -7.059 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.029 -1.823 -6.793 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.371 0.643 -6.734 1.00 0.00 C ATOM 0 H VAL A 39 -3.926 1.323 -8.307 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.626 -0.927 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.871 -0.819 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.699 -1.782 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.520 -2.778 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.167 -1.723 -7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.041 0.646 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.514 0.808 -7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.101 1.438 -6.885 1.00 0.00 H new ATOM 594 N LEU A 40 -5.721 -1.577 -8.198 1.00 0.00 N ATOM 595 CA LEU A 40 -6.800 -2.560 -8.270 1.00 0.00 C ATOM 596 C LEU A 40 -6.888 -3.168 -9.665 1.00 0.00 C ATOM 597 O LEU A 40 -7.045 -4.379 -9.818 1.00 0.00 O ATOM 598 CB LEU A 40 -8.139 -1.919 -7.901 1.00 0.00 C ATOM 599 CG LEU A 40 -8.101 -0.990 -6.690 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.420 -0.263 -6.538 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.782 -1.762 -5.423 1.00 0.00 C ATOM 0 H LEU A 40 -5.986 -0.690 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.577 -3.352 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.503 -1.356 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.863 -2.711 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.311 -0.257 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.375 0.395 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.614 0.329 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.222 -0.989 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.761 -1.077 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.546 -2.521 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.809 -2.243 -5.525 1.00 0.00 H new ATOM 613 N ALA A 41 -6.782 -2.316 -10.679 1.00 0.00 N ATOM 614 CA ALA A 41 -6.846 -2.768 -12.062 1.00 0.00 C ATOM 615 C ALA A 41 -5.629 -3.608 -12.415 1.00 0.00 C ATOM 616 O ALA A 41 -5.747 -4.696 -12.978 1.00 0.00 O ATOM 617 CB ALA A 41 -6.961 -1.577 -12.999 1.00 0.00 C ATOM 0 H ALA A 41 -6.652 -1.310 -10.568 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.732 -3.392 -12.178 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.008 -1.928 -14.030 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.866 -1.016 -12.765 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.092 -0.931 -12.875 1.00 0.00 H new ATOM 623 N ALA A 42 -4.462 -3.089 -12.078 1.00 0.00 N ATOM 624 CA ALA A 42 -3.207 -3.775 -12.352 1.00 0.00 C ATOM 625 C ALA A 42 -3.082 -5.054 -11.525 1.00 0.00 C ATOM 626 O ALA A 42 -2.409 -6.002 -11.928 1.00 0.00 O ATOM 627 CB ALA A 42 -2.026 -2.849 -12.080 1.00 0.00 C ATOM 0 H ALA A 42 -4.355 -2.189 -11.611 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.200 -4.055 -13.405 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.095 -3.376 -12.289 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.098 -1.970 -12.721 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.040 -2.538 -11.035 1.00 0.00 H new ATOM 633 N LEU A 43 -3.732 -5.067 -10.367 1.00 0.00 N ATOM 634 CA LEU A 43 -3.696 -6.220 -9.474 1.00 0.00 C ATOM 635 C LEU A 43 -4.526 -7.381 -10.009 1.00 0.00 C ATOM 636 O LEU A 43 -4.290 -8.539 -9.661 1.00 0.00 O ATOM 637 CB LEU A 43 -4.193 -5.829 -8.087 1.00 0.00 C ATOM 638 CG LEU A 43 -3.141 -5.187 -7.185 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.809 -4.494 -6.011 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.157 -6.237 -6.701 1.00 0.00 C ATOM 0 H LEU A 43 -4.293 -4.288 -10.023 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.659 -6.550 -9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.027 -5.136 -8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.581 -6.719 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.592 -4.439 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.048 -4.040 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.482 -3.720 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.377 -5.223 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.411 -5.768 -6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.690 -7.003 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.662 -6.694 -7.558 1.00 0.00 H new ATOM 652 N ALA A 44 -5.500 -7.066 -10.852 1.00 0.00 N ATOM 653 CA ALA A 44 -6.370 -8.084 -11.426 1.00 0.00 C ATOM 654 C ALA A 44 -5.566 -9.176 -12.126 1.00 0.00 C ATOM 655 O ALA A 44 -6.069 -10.276 -12.356 1.00 0.00 O ATOM 656 CB ALA A 44 -7.359 -7.450 -12.393 1.00 0.00 C ATOM 0 H ALA A 44 -5.708 -6.114 -11.154 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.922 -8.550 -10.610 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.002 -8.223 -12.814 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.969 -6.719 -11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.815 -6.953 -13.196 1.00 0.00 H new ATOM 662 N SER A 45 -4.317 -8.868 -12.468 1.00 0.00 N ATOM 663 CA SER A 45 -3.456 -9.822 -13.143 1.00 0.00 C ATOM 664 C SER A 45 -2.096 -9.962 -12.452 1.00 0.00 C ATOM 665 O SER A 45 -1.229 -10.690 -12.931 1.00 0.00 O ATOM 666 CB SER A 45 -3.257 -9.411 -14.603 1.00 0.00 C ATOM 667 OG SER A 45 -4.172 -10.083 -15.451 1.00 0.00 O ATOM 0 H SER A 45 -3.883 -7.963 -12.286 1.00 0.00 H new ATOM 0 HA SER A 45 -3.950 -10.793 -13.098 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.389 -8.334 -14.702 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.236 -9.637 -14.912 1.00 0.00 H new ATOM 0 HG SER A 45 -4.026 -9.802 -16.378 1.00 0.00 H new ATOM 673 N LYS A 46 -1.908 -9.271 -11.329 1.00 0.00 N ATOM 674 CA LYS A 46 -0.647 -9.342 -10.601 1.00 0.00 C ATOM 675 C LYS A 46 -0.839 -9.037 -9.117 1.00 0.00 C ATOM 676 O LYS A 46 -1.781 -8.349 -8.731 1.00 0.00 O ATOM 677 CB LYS A 46 0.372 -8.378 -11.210 1.00 0.00 C ATOM 678 CG LYS A 46 1.683 -9.047 -11.587 1.00 0.00 C ATOM 679 CD LYS A 46 2.865 -8.395 -10.890 1.00 0.00 C ATOM 680 CE LYS A 46 4.121 -8.465 -11.742 1.00 0.00 C ATOM 681 NZ LYS A 46 4.464 -7.143 -12.333 1.00 0.00 N ATOM 0 H LYS A 46 -2.608 -8.661 -10.908 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.271 -10.361 -10.687 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.061 -7.916 -12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.573 -7.576 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.642 -10.104 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.822 -8.994 -12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.630 -7.353 -10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.044 -8.889 -9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.954 -8.818 -11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.978 -9.194 -12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.327 -7.233 -12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.680 -6.818 -12.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.625 -6.454 -11.571 1.00 0.00 H new ATOM 695 N THR A 47 0.062 -9.560 -8.288 1.00 0.00 N ATOM 696 CA THR A 47 -0.006 -9.346 -6.850 1.00 0.00 C ATOM 697 C THR A 47 1.381 -9.088 -6.257 1.00 0.00 C ATOM 698 O THR A 47 2.223 -9.985 -6.230 1.00 0.00 O ATOM 699 CB THR A 47 -0.651 -10.553 -6.161 1.00 0.00 C ATOM 700 OG1 THR A 47 -1.990 -10.720 -6.594 1.00 0.00 O ATOM 701 CG2 THR A 47 -0.667 -10.451 -4.648 1.00 0.00 C ATOM 0 H THR A 47 0.848 -10.135 -8.591 1.00 0.00 H new ATOM 0 HA THR A 47 -0.620 -8.462 -6.676 1.00 0.00 H new ATOM 0 HB THR A 47 -0.033 -11.406 -6.441 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.385 -11.496 -6.145 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.138 -11.340 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.355 -10.373 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.230 -9.567 -4.349 1.00 0.00 H new ATOM 709 N PRO A 48 1.636 -7.866 -5.752 1.00 0.00 N ATOM 710 CA PRO A 48 2.920 -7.525 -5.140 1.00 0.00 C ATOM 711 C PRO A 48 3.061 -8.159 -3.762 1.00 0.00 C ATOM 712 O PRO A 48 2.082 -8.632 -3.193 1.00 0.00 O ATOM 713 CB PRO A 48 2.866 -6.003 -5.029 1.00 0.00 C ATOM 714 CG PRO A 48 1.415 -5.691 -4.904 1.00 0.00 C ATOM 715 CD PRO A 48 0.690 -6.733 -5.713 1.00 0.00 C ATOM 0 HA PRO A 48 3.770 -7.885 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.425 -5.648 -4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.301 -5.525 -5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.099 -5.719 -3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.199 -4.689 -5.276 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.254 -7.016 -5.248 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.456 -6.372 -6.714 1.00 0.00 H new ATOM 723 N ASP A 49 4.273 -8.178 -3.226 1.00 0.00 N ATOM 724 CA ASP A 49 4.499 -8.767 -1.912 1.00 0.00 C ATOM 725 C ASP A 49 4.040 -7.821 -0.805 1.00 0.00 C ATOM 726 O ASP A 49 3.614 -8.259 0.263 1.00 0.00 O ATOM 727 CB ASP A 49 5.975 -9.112 -1.726 1.00 0.00 C ATOM 728 CG ASP A 49 6.429 -10.225 -2.650 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.562 -10.978 -3.145 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.649 -10.344 -2.879 1.00 0.00 O ATOM 0 H ASP A 49 5.107 -7.797 -3.674 1.00 0.00 H new ATOM 0 HA ASP A 49 3.912 -9.683 -1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.579 -8.223 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.148 -9.409 -0.692 1.00 0.00 H new ATOM 735 N VAL A 50 4.131 -6.522 -1.071 1.00 0.00 N ATOM 736 CA VAL A 50 3.726 -5.508 -0.101 1.00 0.00 C ATOM 737 C VAL A 50 3.147 -4.287 -0.814 1.00 0.00 C ATOM 738 O VAL A 50 3.882 -3.467 -1.359 1.00 0.00 O ATOM 739 CB VAL A 50 4.918 -5.074 0.772 1.00 0.00 C ATOM 740 CG1 VAL A 50 6.058 -4.574 -0.099 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.499 -4.008 1.774 1.00 0.00 C ATOM 0 H VAL A 50 4.482 -6.145 -1.951 1.00 0.00 H new ATOM 0 HA VAL A 50 2.962 -5.948 0.540 1.00 0.00 H new ATOM 0 HB VAL A 50 5.265 -5.943 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.893 -4.271 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.381 -5.371 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.720 -3.721 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.359 -3.719 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.120 -3.136 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.717 -4.405 2.422 1.00 0.00 H new ATOM 751 N LEU A 51 1.822 -4.183 -0.816 1.00 0.00 N ATOM 752 CA LEU A 51 1.141 -3.077 -1.481 1.00 0.00 C ATOM 753 C LEU A 51 0.984 -1.853 -0.573 1.00 0.00 C ATOM 754 O LEU A 51 0.625 -1.969 0.598 1.00 0.00 O ATOM 755 CB LEU A 51 -0.234 -3.533 -1.967 1.00 0.00 C ATOM 756 CG LEU A 51 -1.086 -2.448 -2.630 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.374 -1.874 -3.844 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.445 -3.014 -3.021 1.00 0.00 C ATOM 0 H LEU A 51 1.198 -4.851 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 51 1.761 -2.779 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.098 -4.349 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.786 -3.937 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.239 -1.640 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.996 -1.105 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.576 -1.437 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.190 -2.668 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.043 -2.233 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.308 -3.838 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.958 -3.376 -2.130 1.00 0.00 H new ATOM 770 N LEU A 52 1.237 -0.681 -1.149 1.00 0.00 N ATOM 771 CA LEU A 52 1.114 0.591 -0.443 1.00 0.00 C ATOM 772 C LEU A 52 0.068 1.453 -1.137 1.00 0.00 C ATOM 773 O LEU A 52 0.188 1.719 -2.330 1.00 0.00 O ATOM 774 CB LEU A 52 2.455 1.319 -0.434 1.00 0.00 C ATOM 775 CG LEU A 52 3.309 1.100 0.807 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.786 1.197 0.457 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.944 2.110 1.878 1.00 0.00 C ATOM 0 H LEU A 52 1.534 -0.586 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 52 0.809 0.401 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.026 1.004 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.270 2.388 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 52 3.115 0.100 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.384 1.038 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.035 0.437 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.999 2.185 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.561 1.943 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.115 3.118 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.893 1.995 2.143 1.00 0.00 H new ATOM 789 N SER A 53 -0.965 1.867 -0.406 1.00 0.00 N ATOM 790 CA SER A 53 -2.038 2.669 -0.997 1.00 0.00 C ATOM 791 C SER A 53 -2.188 4.044 -0.355 1.00 0.00 C ATOM 792 O SER A 53 -1.951 4.217 0.837 1.00 0.00 O ATOM 793 CB SER A 53 -3.358 1.912 -0.885 1.00 0.00 C ATOM 794 OG SER A 53 -3.950 1.726 -2.158 1.00 0.00 O ATOM 0 H SER A 53 -1.083 1.664 0.587 1.00 0.00 H new ATOM 0 HA SER A 53 -1.770 2.834 -2.041 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.186 0.943 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.042 2.462 -0.239 1.00 0.00 H new ATOM 0 HG SER A 53 -4.019 0.767 -2.350 1.00 0.00 H new ATOM 800 N ASP A 54 -2.610 5.015 -1.167 1.00 0.00 N ATOM 801 CA ASP A 54 -2.823 6.376 -0.695 1.00 0.00 C ATOM 802 C ASP A 54 -4.121 6.472 0.088 1.00 0.00 C ATOM 803 O ASP A 54 -4.708 5.457 0.464 1.00 0.00 O ATOM 804 CB ASP A 54 -2.854 7.367 -1.861 1.00 0.00 C ATOM 805 CG ASP A 54 -2.233 8.702 -1.494 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.955 8.920 -0.295 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.030 9.533 -2.401 1.00 0.00 O ATOM 0 H ASP A 54 -2.810 4.879 -2.158 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.989 6.632 -0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.321 6.942 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.886 7.522 -2.176 1.00 0.00 H new ATOM 812 N ILE A 55 -4.562 7.696 0.341 1.00 0.00 N ATOM 813 CA ILE A 55 -5.778 7.917 1.086 1.00 0.00 C ATOM 814 C ILE A 55 -6.274 9.355 0.950 1.00 0.00 C ATOM 815 O ILE A 55 -6.196 10.142 1.894 1.00 0.00 O ATOM 816 CB ILE A 55 -5.552 7.570 2.563 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.762 7.945 3.424 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.296 8.251 3.074 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.252 6.811 4.298 1.00 0.00 C ATOM 0 H ILE A 55 -4.090 8.548 0.038 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.548 7.266 0.672 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.423 6.490 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.500 8.794 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.574 8.270 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.146 7.997 4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.437 7.914 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.401 9.331 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.110 7.145 4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.545 5.969 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.454 6.501 4.973 1.00 0.00 H new ATOM 831 N ARG A 56 -6.794 9.683 -0.232 1.00 0.00 N ATOM 832 CA ARG A 56 -7.315 11.020 -0.503 1.00 0.00 C ATOM 833 C ARG A 56 -7.785 11.140 -1.952 1.00 0.00 C ATOM 834 O ARG A 56 -7.239 11.925 -2.728 1.00 0.00 O ATOM 835 CB ARG A 56 -6.247 12.079 -0.215 1.00 0.00 C ATOM 836 CG ARG A 56 -6.821 13.455 0.068 1.00 0.00 C ATOM 837 CD ARG A 56 -5.729 14.450 0.417 1.00 0.00 C ATOM 838 NE ARG A 56 -6.230 15.819 0.416 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.717 16.799 1.149 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.681 16.575 1.950 1.00 0.00 N ATOM 841 NH2 ARG A 56 -6.244 18.012 1.082 1.00 0.00 N ATOM 0 H ARG A 56 -6.865 9.038 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.169 11.186 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.651 11.760 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.572 12.144 -1.068 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.371 13.808 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.534 13.391 0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.320 14.212 1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.912 14.360 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.024 16.037 -0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.272 15.642 2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.295 17.336 2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.040 18.189 0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.854 18.769 1.643 1.00 0.00 H new ATOM 855 N MET A 57 -8.804 10.362 -2.308 1.00 0.00 N ATOM 856 CA MET A 57 -9.344 10.393 -3.664 1.00 0.00 C ATOM 857 C MET A 57 -10.730 9.750 -3.740 1.00 0.00 C ATOM 858 O MET A 57 -11.704 10.416 -4.093 1.00 0.00 O ATOM 859 CB MET A 57 -8.396 9.700 -4.642 1.00 0.00 C ATOM 860 CG MET A 57 -8.257 10.438 -5.965 1.00 0.00 C ATOM 861 SD MET A 57 -8.876 9.484 -7.363 1.00 0.00 S ATOM 862 CE MET A 57 -7.396 8.599 -7.843 1.00 0.00 C ATOM 0 H MET A 57 -9.270 9.706 -1.681 1.00 0.00 H new ATOM 0 HA MET A 57 -9.443 11.442 -3.944 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.413 9.606 -4.181 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.756 8.689 -4.833 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.797 11.383 -5.908 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.208 10.681 -6.132 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.475 8.298 -8.888 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.528 9.246 -7.716 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.283 7.713 -7.218 1.00 0.00 H new ATOM 872 N PRO A 58 -10.844 8.447 -3.419 1.00 0.00 N ATOM 873 CA PRO A 58 -12.128 7.733 -3.469 1.00 0.00 C ATOM 874 C PRO A 58 -13.162 8.314 -2.510 1.00 0.00 C ATOM 875 O PRO A 58 -12.951 9.370 -1.915 1.00 0.00 O ATOM 876 CB PRO A 58 -11.762 6.305 -3.052 1.00 0.00 C ATOM 877 CG PRO A 58 -10.485 6.449 -2.301 1.00 0.00 C ATOM 878 CD PRO A 58 -9.748 7.558 -2.990 1.00 0.00 C ATOM 0 HA PRO A 58 -12.586 7.802 -4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.540 5.862 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.640 5.657 -3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.669 6.689 -1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.910 5.523 -2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.054 8.063 -2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.165 7.194 -3.836 1.00 0.00 H new ATOM 886 N GLY A 59 -14.284 7.609 -2.366 1.00 0.00 N ATOM 887 CA GLY A 59 -15.342 8.061 -1.478 1.00 0.00 C ATOM 888 C GLY A 59 -14.839 8.347 -0.078 1.00 0.00 C ATOM 889 O GLY A 59 -14.624 9.503 0.284 1.00 0.00 O ATOM 0 H GLY A 59 -14.478 6.732 -2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.797 8.962 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.123 7.302 -1.432 1.00 0.00 H new ATOM 893 N MET A 60 -14.642 7.293 0.708 1.00 0.00 N ATOM 894 CA MET A 60 -14.148 7.443 2.072 1.00 0.00 C ATOM 895 C MET A 60 -12.688 7.888 2.063 1.00 0.00 C ATOM 896 O MET A 60 -11.803 7.156 2.507 1.00 0.00 O ATOM 897 CB MET A 60 -14.299 6.132 2.842 1.00 0.00 C ATOM 898 CG MET A 60 -15.746 5.713 3.048 1.00 0.00 C ATOM 899 SD MET A 60 -16.097 5.237 4.752 1.00 0.00 S ATOM 900 CE MET A 60 -17.806 4.716 4.621 1.00 0.00 C ATOM 0 H MET A 60 -14.816 6.329 0.425 1.00 0.00 H new ATOM 0 HA MET A 60 -14.741 8.208 2.572 1.00 0.00 H new ATOM 0 HB2 MET A 60 -13.773 5.342 2.306 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.816 6.233 3.814 1.00 0.00 H new ATOM 0 HG2 MET A 60 -16.402 6.535 2.762 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.976 4.877 2.387 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.164 4.393 5.599 1.00 0.00 H new ATOM 0 HE2 MET A 60 -18.414 5.549 4.269 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.881 3.889 3.915 1.00 0.00 H new ATOM 910 N ASP A 61 -12.468 9.094 1.541 1.00 0.00 N ATOM 911 CA ASP A 61 -11.142 9.702 1.431 1.00 0.00 C ATOM 912 C ASP A 61 -10.112 8.754 0.820 1.00 0.00 C ATOM 913 O ASP A 61 -9.617 8.998 -0.280 1.00 0.00 O ATOM 914 CB ASP A 61 -10.658 10.238 2.785 1.00 0.00 C ATOM 915 CG ASP A 61 -10.727 9.226 3.911 1.00 0.00 C ATOM 916 OD1 ASP A 61 -11.844 8.939 4.392 1.00 0.00 O ATOM 917 OD2 ASP A 61 -9.658 8.733 4.322 1.00 0.00 O ATOM 0 H ASP A 61 -13.216 9.685 1.178 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.244 10.545 0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.628 10.580 2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.257 11.107 3.055 1.00 0.00 H new ATOM 922 N GLY A 62 -9.784 7.682 1.528 1.00 0.00 N ATOM 923 CA GLY A 62 -8.813 6.737 1.024 1.00 0.00 C ATOM 924 C GLY A 62 -9.148 5.310 1.377 1.00 0.00 C ATOM 925 O GLY A 62 -8.974 4.408 0.563 1.00 0.00 O ATOM 0 H GLY A 62 -10.174 7.452 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.748 6.833 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.830 6.984 1.425 1.00 0.00 H new ATOM 929 N LEU A 63 -9.635 5.104 2.596 1.00 0.00 N ATOM 930 CA LEU A 63 -9.995 3.768 3.048 1.00 0.00 C ATOM 931 C LEU A 63 -10.919 3.099 2.037 1.00 0.00 C ATOM 932 O LEU A 63 -10.968 1.873 1.938 1.00 0.00 O ATOM 933 CB LEU A 63 -10.647 3.812 4.434 1.00 0.00 C ATOM 934 CG LEU A 63 -9.949 4.716 5.458 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.539 6.114 5.431 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.028 4.121 6.857 1.00 0.00 C ATOM 0 H LEU A 63 -9.788 5.841 3.284 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.082 3.177 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.678 4.147 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.682 2.798 4.833 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.896 4.785 5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.029 6.738 6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.411 6.544 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.601 6.065 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.525 4.782 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.073 4.009 7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.542 3.145 6.865 1.00 0.00 H new ATOM 948 N ALA A 64 -11.636 3.913 1.267 1.00 0.00 N ATOM 949 CA ALA A 64 -12.533 3.386 0.250 1.00 0.00 C ATOM 950 C ALA A 64 -11.775 2.468 -0.702 1.00 0.00 C ATOM 951 O ALA A 64 -12.319 1.479 -1.188 1.00 0.00 O ATOM 952 CB ALA A 64 -13.202 4.516 -0.516 1.00 0.00 C ATOM 0 H ALA A 64 -11.612 4.931 1.329 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.311 2.805 0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.868 4.099 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.777 5.133 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.441 5.127 -1.001 1.00 0.00 H new ATOM 958 N LEU A 65 -10.505 2.790 -0.950 1.00 0.00 N ATOM 959 CA LEU A 65 -9.679 1.971 -1.830 1.00 0.00 C ATOM 960 C LEU A 65 -9.469 0.591 -1.210 1.00 0.00 C ATOM 961 O LEU A 65 -9.262 -0.394 -1.919 1.00 0.00 O ATOM 962 CB LEU A 65 -8.336 2.649 -2.116 1.00 0.00 C ATOM 963 CG LEU A 65 -7.353 2.685 -0.945 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.503 1.427 -0.927 1.00 0.00 C ATOM 965 CD2 LEU A 65 -6.472 3.927 -1.024 1.00 0.00 C ATOM 0 H LEU A 65 -10.032 3.604 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.198 1.854 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.860 2.135 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.527 3.672 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.923 2.728 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.809 1.469 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.147 0.554 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.942 1.354 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.779 3.936 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.909 3.915 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.097 4.819 -0.988 1.00 0.00 H new ATOM 977 N LEU A 66 -9.557 0.519 0.120 1.00 0.00 N ATOM 978 CA LEU A 66 -9.411 -0.749 0.824 1.00 0.00 C ATOM 979 C LEU A 66 -10.580 -1.646 0.451 1.00 0.00 C ATOM 980 O LEU A 66 -10.416 -2.840 0.202 1.00 0.00 O ATOM 981 CB LEU A 66 -9.380 -0.543 2.343 1.00 0.00 C ATOM 982 CG LEU A 66 -8.078 0.037 2.909 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.682 1.306 2.176 1.00 0.00 C ATOM 984 CD2 LEU A 66 -8.219 0.313 4.397 1.00 0.00 C ATOM 0 H LEU A 66 -9.728 1.322 0.725 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.467 -1.209 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.201 0.119 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.569 -1.502 2.825 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.291 -0.702 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.756 1.696 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.535 1.085 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.471 2.050 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.285 0.724 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.025 1.029 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.448 -0.616 4.919 1.00 0.00 H new ATOM 996 N LYS A 67 -11.766 -1.043 0.391 1.00 0.00 N ATOM 997 CA LYS A 67 -12.974 -1.769 0.019 1.00 0.00 C ATOM 998 C LYS A 67 -12.754 -2.493 -1.305 1.00 0.00 C ATOM 999 O LYS A 67 -12.998 -3.688 -1.423 1.00 0.00 O ATOM 1000 CB LYS A 67 -14.162 -0.812 -0.101 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.669 -0.298 1.236 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.482 -1.355 1.960 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.478 -1.128 3.463 1.00 0.00 C ATOM 1004 NZ LYS A 67 -14.119 -1.311 4.047 1.00 0.00 N ATOM 0 H LYS A 67 -11.914 -0.055 0.595 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.195 -2.499 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.872 0.037 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.976 -1.320 -0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.825 0.003 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.281 0.590 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.508 -1.342 1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.076 -2.342 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.834 -0.121 3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.174 -1.821 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.170 -1.215 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.761 -2.257 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.476 -0.589 3.663 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.275 -1.757 -2.301 1.00 0.00 N ATOM 1019 CA GLN A 68 -12.000 -2.327 -3.611 1.00 0.00 C ATOM 1020 C GLN A 68 -11.091 -3.548 -3.490 1.00 0.00 C ATOM 1021 O GLN A 68 -11.313 -4.572 -4.134 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.330 -1.279 -4.498 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.253 -0.145 -4.908 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.734 1.229 -4.520 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -10.665 1.653 -4.960 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.496 1.941 -3.698 1.00 0.00 N ATOM 0 H GLN A 68 -12.069 -0.761 -2.224 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.945 -2.638 -4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.472 -0.864 -3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.947 -1.766 -5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.399 -0.178 -5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.230 -0.298 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.375 1.555 -3.355 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.202 2.874 -3.410 1.00 0.00 H new ATOM 1035 N ILE A 69 -10.061 -3.419 -2.660 1.00 0.00 N ATOM 1036 CA ILE A 69 -9.097 -4.491 -2.445 1.00 0.00 C ATOM 1037 C ILE A 69 -9.769 -5.781 -2.001 1.00 0.00 C ATOM 1038 O ILE A 69 -9.460 -6.860 -2.505 1.00 0.00 O ATOM 1039 CB ILE A 69 -8.044 -4.068 -1.402 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.234 -2.885 -1.942 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -7.137 -5.237 -1.037 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.529 -2.088 -0.872 1.00 0.00 C ATOM 0 H ILE A 69 -9.872 -2.574 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.608 -4.679 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.553 -3.757 -0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.494 -3.257 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.901 -2.223 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.403 -4.912 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.736 -6.046 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.622 -5.590 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.977 -1.268 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.264 -1.684 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.836 -2.735 -0.334 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.684 -5.665 -1.058 1.00 0.00 N ATOM 1055 CA LYS A 70 -11.396 -6.827 -0.546 1.00 0.00 C ATOM 1056 C LYS A 70 -12.233 -7.469 -1.641 1.00 0.00 C ATOM 1057 O LYS A 70 -12.503 -8.669 -1.614 1.00 0.00 O ATOM 1058 CB LYS A 70 -12.285 -6.439 0.640 1.00 0.00 C ATOM 1059 CG LYS A 70 -13.518 -5.640 0.253 1.00 0.00 C ATOM 1060 CD LYS A 70 -14.793 -6.285 0.777 1.00 0.00 C ATOM 1061 CE LYS A 70 -15.350 -7.298 -0.209 1.00 0.00 C ATOM 1062 NZ LYS A 70 -16.117 -8.375 0.474 1.00 0.00 N ATOM 0 H LYS A 70 -10.954 -4.780 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.657 -7.551 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.600 -7.346 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.695 -5.857 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.434 -4.627 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.572 -5.556 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.589 -6.776 1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.539 -5.514 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.996 -6.790 -0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.531 -7.740 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.480 -9.045 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.494 -8.877 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.914 -7.957 0.995 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.654 -6.654 -2.595 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.473 -7.128 -3.693 1.00 0.00 C ATOM 1078 C GLN A 71 -12.636 -7.872 -4.724 1.00 0.00 C ATOM 1079 O GLN A 71 -13.049 -8.903 -5.253 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.203 -5.955 -4.348 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.549 -5.651 -3.711 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.988 -4.215 -3.927 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -17.045 -3.958 -4.502 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -15.175 -3.271 -3.466 1.00 0.00 N ATOM 0 H GLN A 71 -12.440 -5.657 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 71 -14.208 -7.826 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.573 -5.067 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.351 -6.173 -5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.302 -6.323 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.494 -5.853 -2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.308 -3.530 -2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.418 -2.287 -3.583 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.461 -7.334 -5.001 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.553 -7.931 -5.972 1.00 0.00 C ATOM 1095 C ARG A 72 -9.554 -8.863 -5.298 1.00 0.00 C ATOM 1096 O ARG A 72 -9.642 -10.086 -5.420 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.808 -6.839 -6.746 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.628 -6.213 -7.865 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.570 -5.144 -7.336 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.427 -3.885 -8.061 1.00 0.00 N ATOM 1101 CZ ARG A 72 -12.327 -2.905 -8.025 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -13.433 -3.038 -7.304 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -12.119 -1.791 -8.712 1.00 0.00 N ATOM 0 H ARG A 72 -11.110 -6.481 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.151 -8.520 -6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.503 -6.057 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.897 -7.263 -7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.959 -5.775 -8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.203 -6.987 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.599 -5.495 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.372 -4.978 -6.277 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.590 -3.749 -8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.596 -3.894 -6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.120 -2.284 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.270 -1.685 -9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.808 -1.039 -8.685 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.601 -8.270 -4.602 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.559 -9.028 -3.913 1.00 0.00 C ATOM 1119 C HIS A 73 -7.714 -8.952 -2.392 1.00 0.00 C ATOM 1120 O HIS A 73 -6.989 -8.216 -1.721 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.186 -8.497 -4.320 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.057 -7.014 -4.175 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.312 -6.420 -3.185 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.578 -6.001 -4.907 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -5.373 -5.110 -3.313 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.136 -4.827 -4.349 1.00 0.00 N ATOM 0 H HIS A 73 -8.523 -7.259 -4.496 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.656 -10.074 -4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.422 -8.982 -3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.991 -8.772 -5.357 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.221 -6.098 -5.769 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.881 -4.390 -2.676 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.361 -3.890 -4.682 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.668 -9.712 -1.830 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.928 -9.729 -0.384 1.00 0.00 C ATOM 1137 C PRO A 74 -7.913 -10.548 0.423 1.00 0.00 C ATOM 1138 O PRO A 74 -8.251 -11.093 1.473 1.00 0.00 O ATOM 1139 CB PRO A 74 -10.308 -10.380 -0.297 1.00 0.00 C ATOM 1140 CG PRO A 74 -10.377 -11.278 -1.482 1.00 0.00 C ATOM 1141 CD PRO A 74 -9.583 -10.604 -2.567 1.00 0.00 C ATOM 0 HA PRO A 74 -8.860 -8.727 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.424 -10.939 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.101 -9.632 -0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.964 -12.260 -1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.410 -11.432 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.036 -11.328 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.227 -10.045 -3.246 1.00 0.00 H new ATOM 1149 N MET A 75 -6.672 -10.634 -0.058 1.00 0.00 N ATOM 1150 CA MET A 75 -5.639 -11.390 0.650 1.00 0.00 C ATOM 1151 C MET A 75 -4.329 -10.608 0.734 1.00 0.00 C ATOM 1152 O MET A 75 -3.575 -10.741 1.698 1.00 0.00 O ATOM 1153 CB MET A 75 -5.399 -12.742 -0.029 1.00 0.00 C ATOM 1154 CG MET A 75 -6.606 -13.666 0.007 1.00 0.00 C ATOM 1155 SD MET A 75 -6.777 -14.653 -1.495 1.00 0.00 S ATOM 1156 CE MET A 75 -6.088 -16.219 -0.962 1.00 0.00 C ATOM 0 H MET A 75 -6.360 -10.195 -0.924 1.00 0.00 H new ATOM 0 HA MET A 75 -5.997 -11.560 1.665 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.113 -12.572 -1.067 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.558 -13.238 0.456 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.523 -14.332 0.866 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.508 -13.072 0.150 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.125 -16.932 -1.786 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.053 -16.075 -0.654 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.666 -16.604 -0.122 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.064 -9.802 -0.280 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.846 -9.001 -0.334 1.00 0.00 C ATOM 1168 C LEU A 76 -2.832 -7.934 0.766 1.00 0.00 C ATOM 1169 O LEU A 76 -3.865 -7.343 1.080 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.735 -8.351 -1.714 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.586 -7.362 -1.898 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.344 -8.082 -2.390 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.986 -6.265 -2.876 1.00 0.00 C ATOM 0 H LEU A 76 -4.679 -9.682 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.988 -9.652 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.631 -9.141 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.671 -7.834 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.362 -6.904 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.467 -7.364 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.049 -8.838 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.556 -8.562 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.158 -5.567 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.231 -6.709 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.855 -5.733 -2.490 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.653 -7.675 1.371 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.509 -6.679 2.439 1.00 0.00 C ATOM 1187 C PRO A 77 -1.496 -5.253 1.902 1.00 0.00 C ATOM 1188 O PRO A 77 -0.776 -4.942 0.953 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.157 -7.030 3.057 1.00 0.00 C ATOM 1190 CG PRO A 77 0.624 -7.609 1.931 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.370 -8.334 1.061 1.00 0.00 C ATOM 0 HA PRO A 77 -2.340 -6.707 3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.333 -6.148 3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.266 -7.744 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.136 -6.827 1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.390 -8.291 2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.118 -8.243 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.401 -9.399 1.291 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.300 -4.392 2.515 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.392 -2.995 2.104 1.00 0.00 C ATOM 1201 C VAL A 78 -1.803 -2.074 3.162 1.00 0.00 C ATOM 1202 O VAL A 78 -1.985 -2.292 4.360 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.852 -2.564 1.860 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.900 -1.315 0.994 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.664 -3.688 1.233 1.00 0.00 C ATOM 0 H VAL A 78 -2.900 -4.638 3.302 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.828 -2.913 1.175 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.300 -2.333 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.938 -1.025 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.370 -0.504 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.426 -1.519 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.689 -3.352 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.221 -3.967 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.665 -4.551 1.898 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.114 -1.032 2.715 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.520 -0.066 3.626 1.00 0.00 C ATOM 1217 C ILE A 79 -0.885 1.350 3.210 1.00 0.00 C ATOM 1218 O ILE A 79 -0.522 1.803 2.125 1.00 0.00 O ATOM 1219 CB ILE A 79 1.011 -0.193 3.689 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.425 -1.660 3.834 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.548 0.633 4.845 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.520 -2.073 2.877 1.00 0.00 C ATOM 0 H ILE A 79 -0.953 -0.835 1.727 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.921 -0.279 4.617 1.00 0.00 H new ATOM 0 HB ILE A 79 1.435 0.186 2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.761 -1.836 4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.553 -2.294 3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.633 0.540 4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.279 1.679 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.118 0.273 5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.764 -3.124 3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.180 -1.929 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.407 -1.464 3.054 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.625 2.037 4.067 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.062 3.395 3.778 1.00 0.00 C ATOM 1236 C ILE A 80 -1.102 4.442 4.351 1.00 0.00 C ATOM 1237 O ILE A 80 -0.500 4.236 5.404 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.484 3.630 4.312 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.404 2.497 3.846 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.011 4.977 3.847 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.518 2.386 2.340 1.00 0.00 C ATOM 0 H ILE A 80 -1.936 1.676 4.969 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.064 3.509 2.694 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.459 3.637 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.033 1.553 4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.398 2.652 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.019 5.127 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.359 5.769 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.033 5.003 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.185 1.563 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.918 3.316 1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.532 2.200 1.913 1.00 0.00 H new ATOM 1253 N MET A 81 -0.955 5.560 3.632 1.00 0.00 N ATOM 1254 CA MET A 81 -0.050 6.641 4.054 1.00 0.00 C ATOM 1255 C MET A 81 -0.677 7.542 5.113 1.00 0.00 C ATOM 1256 O MET A 81 0.039 8.198 5.863 1.00 0.00 O ATOM 1257 CB MET A 81 0.399 7.520 2.871 1.00 0.00 C ATOM 1258 CG MET A 81 -0.315 7.254 1.560 1.00 0.00 C ATOM 1259 SD MET A 81 0.377 5.840 0.680 1.00 0.00 S ATOM 1260 CE MET A 81 1.971 6.492 0.190 1.00 0.00 C ATOM 0 H MET A 81 -1.448 5.742 2.758 1.00 0.00 H new ATOM 0 HA MET A 81 0.818 6.137 4.480 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.252 8.566 3.140 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.469 7.377 2.719 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.373 7.076 1.754 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.251 8.140 0.928 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.066 6.444 -0.895 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.056 7.529 0.516 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.763 5.901 0.650 1.00 0.00 H new ATOM 1270 N THR A 82 -2.004 7.603 5.159 1.00 0.00 N ATOM 1271 CA THR A 82 -2.679 8.460 6.131 1.00 0.00 C ATOM 1272 C THR A 82 -4.019 7.869 6.574 1.00 0.00 C ATOM 1273 O THR A 82 -4.685 7.176 5.811 1.00 0.00 O ATOM 1274 CB THR A 82 -2.877 9.856 5.537 1.00 0.00 C ATOM 1275 OG1 THR A 82 -1.734 10.254 4.794 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.141 10.917 6.585 1.00 0.00 C ATOM 0 H THR A 82 -2.627 7.078 4.545 1.00 0.00 H new ATOM 0 HA THR A 82 -2.049 8.530 7.017 1.00 0.00 H new ATOM 0 HB THR A 82 -3.754 9.777 4.894 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.991 10.421 3.863 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.272 11.884 6.099 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.045 10.664 7.140 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.296 10.968 7.272 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.418 8.149 7.812 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.687 7.639 8.330 1.00 0.00 C ATOM 1286 C ALA A 83 -6.550 8.766 8.891 1.00 0.00 C ATOM 1287 O ALA A 83 -6.768 8.850 10.100 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.443 6.578 9.392 1.00 0.00 C ATOM 0 H ALA A 83 -3.888 8.720 8.470 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.227 7.184 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.399 6.211 9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.881 5.751 8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.874 7.011 10.215 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.035 9.638 8.013 1.00 0.00 N ATOM 1295 CA HIS A 84 -7.863 10.759 8.437 1.00 0.00 C ATOM 1296 C HIS A 84 -9.349 10.458 8.259 1.00 0.00 C ATOM 1297 O HIS A 84 -9.848 10.366 7.137 1.00 0.00 O ATOM 1298 CB HIS A 84 -7.483 12.018 7.654 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.466 11.823 6.169 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.477 12.268 5.344 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -6.551 11.239 5.356 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -8.187 11.964 4.093 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.025 11.342 4.072 1.00 0.00 N ATOM 0 H HIS A 84 -6.869 9.590 7.008 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.682 10.925 9.499 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.187 12.813 7.899 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.498 12.353 7.979 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.623 10.779 5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -8.799 12.187 3.231 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.554 10.994 3.237 1.00 0.00 H new ATOM 1312 N SER A 85 -10.051 10.316 9.381 1.00 0.00 N ATOM 1313 CA SER A 85 -11.485 10.038 9.374 1.00 0.00 C ATOM 1314 C SER A 85 -11.825 8.804 8.541 1.00 0.00 C ATOM 1315 O SER A 85 -10.988 8.282 7.805 1.00 0.00 O ATOM 1316 CB SER A 85 -12.254 11.247 8.837 1.00 0.00 C ATOM 1317 OG SER A 85 -13.601 11.244 9.288 1.00 0.00 O ATOM 0 H SER A 85 -9.645 10.390 10.314 1.00 0.00 H new ATOM 0 HA SER A 85 -11.781 9.839 10.404 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.763 12.165 9.159 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.233 11.239 7.747 1.00 0.00 H new ATOM 0 HG SER A 85 -14.157 10.743 8.655 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.070 8.347 8.671 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.552 7.178 7.940 1.00 0.00 C ATOM 1325 C ASP A 86 -12.771 5.920 8.317 1.00 0.00 C ATOM 1326 O ASP A 86 -12.853 4.906 7.625 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.457 7.418 6.432 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.282 8.607 5.978 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -14.271 9.640 6.680 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.937 8.505 4.919 1.00 0.00 O ATOM 0 H ASP A 86 -13.767 8.773 9.281 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.595 7.023 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.414 7.578 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.792 6.525 5.904 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.022 5.989 9.419 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.222 4.858 9.895 1.00 0.00 C ATOM 1337 C LEU A 87 -12.016 3.552 9.887 1.00 0.00 C ATOM 1338 O LEU A 87 -11.441 2.465 9.814 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.707 5.146 11.307 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.187 5.260 11.435 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.794 5.520 12.880 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.512 4.000 10.911 1.00 0.00 C ATOM 0 H LEU A 87 -11.952 6.823 10.003 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.381 4.736 9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.156 6.075 11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.053 4.354 11.971 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.850 6.103 10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.709 5.598 12.954 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.249 6.451 13.219 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.142 4.698 13.505 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.431 4.098 11.010 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.852 3.139 11.486 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.769 3.859 9.861 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.333 3.665 9.977 1.00 0.00 N ATOM 1355 CA ASP A 88 -14.210 2.498 9.994 1.00 0.00 C ATOM 1356 C ASP A 88 -13.874 1.517 8.871 1.00 0.00 C ATOM 1357 O ASP A 88 -13.892 0.303 9.075 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.670 2.932 9.864 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.258 3.398 11.181 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.210 2.625 12.161 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.771 4.536 11.231 1.00 0.00 O ATOM 0 H ASP A 88 -13.822 4.558 10.040 1.00 0.00 H new ATOM 0 HA ASP A 88 -14.056 1.992 10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.742 3.737 9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.260 2.099 9.481 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.585 2.042 7.684 1.00 0.00 N ATOM 1367 CA ALA A 89 -13.268 1.196 6.541 1.00 0.00 C ATOM 1368 C ALA A 89 -11.903 0.528 6.694 1.00 0.00 C ATOM 1369 O ALA A 89 -11.639 -0.504 6.079 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.337 1.996 5.250 1.00 0.00 C ATOM 0 H ALA A 89 -13.564 3.043 7.490 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.015 0.403 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.097 1.348 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.342 2.398 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.621 2.817 5.292 1.00 0.00 H new ATOM 1376 N ALA A 90 -11.043 1.110 7.523 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.714 0.551 7.753 1.00 0.00 C ATOM 1378 C ALA A 90 -9.809 -0.750 8.536 1.00 0.00 C ATOM 1379 O ALA A 90 -9.019 -1.671 8.331 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.830 1.540 8.500 1.00 0.00 C ATOM 0 H ALA A 90 -11.240 1.964 8.045 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.265 0.348 6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.846 1.100 8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.729 2.453 7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.282 1.776 9.463 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.780 -0.816 9.440 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.973 -2.004 10.257 1.00 0.00 C ATOM 1388 C VAL A 91 -11.284 -3.218 9.395 1.00 0.00 C ATOM 1389 O VAL A 91 -10.723 -4.296 9.596 1.00 0.00 O ATOM 1390 CB VAL A 91 -12.095 -1.822 11.290 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -12.020 -2.923 12.336 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -12.009 -0.449 11.941 1.00 0.00 C ATOM 0 H VAL A 91 -11.443 -0.063 9.624 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.036 -2.164 10.790 1.00 0.00 H new ATOM 0 HB VAL A 91 -13.056 -1.890 10.781 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.819 -2.787 13.065 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.132 -3.893 11.852 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.056 -2.879 12.842 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.813 -0.341 12.669 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.047 -0.344 12.443 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.105 0.323 11.177 1.00 0.00 H new ATOM 1402 N SER A 92 -12.176 -3.037 8.428 1.00 0.00 N ATOM 1403 CA SER A 92 -12.550 -4.121 7.530 1.00 0.00 C ATOM 1404 C SER A 92 -11.324 -4.661 6.803 1.00 0.00 C ATOM 1405 O SER A 92 -11.095 -5.870 6.761 1.00 0.00 O ATOM 1406 CB SER A 92 -13.588 -3.643 6.515 1.00 0.00 C ATOM 1407 OG SER A 92 -14.865 -3.517 7.111 1.00 0.00 O ATOM 0 H SER A 92 -12.652 -2.153 8.247 1.00 0.00 H new ATOM 0 HA SER A 92 -12.985 -4.922 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.281 -2.683 6.101 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.639 -4.347 5.684 1.00 0.00 H new ATOM 0 HG SER A 92 -15.510 -3.208 6.441 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.528 -3.759 6.238 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.323 -4.151 5.519 1.00 0.00 C ATOM 1415 C ALA A 93 -8.516 -5.152 6.320 1.00 0.00 C ATOM 1416 O ALA A 93 -8.030 -6.149 5.788 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.477 -2.935 5.197 1.00 0.00 C ATOM 0 H ALA A 93 -10.696 -2.753 6.264 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.627 -4.624 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.581 -3.247 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.051 -2.247 4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.190 -2.436 6.123 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.388 -4.880 7.607 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.646 -5.762 8.501 1.00 0.00 C ATOM 1425 C TYR A 94 -8.199 -7.179 8.414 1.00 0.00 C ATOM 1426 O TYR A 94 -7.490 -8.154 8.661 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.718 -5.259 9.947 1.00 0.00 C ATOM 1428 CG TYR A 94 -7.355 -3.799 10.112 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -6.350 -3.216 9.346 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -8.019 -3.003 11.036 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -6.022 -1.881 9.497 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.695 -1.667 11.192 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.697 -1.111 10.421 1.00 0.00 C ATOM 1434 OH TYR A 94 -6.376 0.219 10.572 1.00 0.00 O ATOM 0 H TYR A 94 -8.787 -4.057 8.059 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.601 -5.765 8.190 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.728 -5.416 10.325 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.050 -5.860 10.563 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.818 -3.816 8.622 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.801 -3.434 11.643 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.240 -1.443 8.894 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.222 -1.062 11.915 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.045 0.574 9.721 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.472 -7.278 8.050 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.131 -8.569 7.916 1.00 0.00 C ATOM 1446 C GLN A 95 -9.574 -9.327 6.713 1.00 0.00 C ATOM 1447 O GLN A 95 -9.241 -10.508 6.811 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.664 -8.387 7.822 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.296 -8.702 6.461 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.087 -7.540 5.888 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -14.265 -7.363 6.199 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.443 -6.741 5.041 1.00 0.00 N ATOM 0 H GLN A 95 -10.069 -6.477 7.842 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.927 -9.166 8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.132 -9.023 8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.904 -7.356 8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.511 -8.981 5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.953 -9.566 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.466 -6.924 4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.926 -5.946 4.623 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.484 -8.644 5.575 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.980 -9.265 4.363 1.00 0.00 C ATOM 1463 C GLN A 96 -7.471 -9.493 4.430 1.00 0.00 C ATOM 1464 O GLN A 96 -6.930 -10.314 3.688 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.333 -8.403 3.154 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.798 -8.469 2.772 1.00 0.00 C ATOM 1467 CD GLN A 96 -11.315 -9.885 2.610 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -10.566 -10.854 2.726 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -12.608 -10.011 2.335 1.00 0.00 N ATOM 0 H GLN A 96 -9.753 -7.666 5.471 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.454 -10.241 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.067 -7.367 3.366 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.729 -8.719 2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.388 -7.960 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.947 -7.927 1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.194 -9.181 2.247 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.015 -10.938 2.212 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.797 -8.787 5.332 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.362 -8.960 5.477 1.00 0.00 C ATOM 1480 C GLY A 97 -4.568 -7.675 5.308 1.00 0.00 C ATOM 1481 O GLY A 97 -3.403 -7.716 4.913 1.00 0.00 O ATOM 0 H GLY A 97 -7.215 -8.102 5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.154 -9.378 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.017 -9.688 4.743 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.179 -6.534 5.616 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.483 -5.257 5.496 1.00 0.00 C ATOM 1487 C ALA A 98 -3.283 -5.219 6.434 1.00 0.00 C ATOM 1488 O ALA A 98 -3.315 -5.809 7.515 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.423 -4.096 5.784 1.00 0.00 C ATOM 0 H ALA A 98 -6.142 -6.467 5.946 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.128 -5.156 4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.880 -3.156 5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.249 -4.112 5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.814 -4.187 6.797 1.00 0.00 H new ATOM 1495 N PHE A 99 -2.219 -4.535 6.021 1.00 0.00 N ATOM 1496 CA PHE A 99 -1.022 -4.448 6.841 1.00 0.00 C ATOM 1497 C PHE A 99 -1.232 -3.507 8.020 1.00 0.00 C ATOM 1498 O PHE A 99 -1.021 -3.894 9.170 1.00 0.00 O ATOM 1499 CB PHE A 99 0.173 -3.979 6.006 1.00 0.00 C ATOM 1500 CG PHE A 99 1.490 -4.130 6.714 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.029 -5.387 6.944 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.189 -3.017 7.153 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.238 -5.529 7.596 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.399 -3.154 7.808 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.924 -4.411 8.029 1.00 0.00 C ATOM 0 H PHE A 99 -2.164 -4.039 5.132 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.813 -5.445 7.228 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.202 -4.546 5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.031 -2.932 5.737 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.497 -6.265 6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.784 -2.031 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.647 -6.514 7.767 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.933 -2.278 8.146 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.869 -4.520 8.540 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.656 -2.273 7.732 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.903 -1.273 8.777 1.00 0.00 C ATOM 1517 C ASP A 100 -2.066 0.124 8.185 1.00 0.00 C ATOM 1518 O ASP A 100 -2.298 0.285 6.986 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.766 -1.262 9.809 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.285 -1.220 11.230 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -2.237 -0.454 11.491 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.742 -1.951 12.084 1.00 0.00 O ATOM 0 H ASP A 100 -1.836 -1.942 6.784 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.832 -1.552 9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.148 -2.150 9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.125 -0.398 9.632 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.935 1.133 9.045 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.059 2.523 8.635 1.00 0.00 C ATOM 1529 C TYR A 101 -0.892 3.339 9.171 1.00 0.00 C ATOM 1530 O TYR A 101 -0.300 2.998 10.195 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.381 3.111 9.136 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.480 3.118 8.102 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.205 1.967 7.820 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.799 4.283 7.416 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.221 1.981 6.881 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.808 4.306 6.475 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.518 3.151 6.212 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.530 3.168 5.280 1.00 0.00 O ATOM 0 H TYR A 101 -1.741 1.007 10.038 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.046 2.563 7.546 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.715 2.541 10.003 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.208 4.133 9.474 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.973 1.050 8.340 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.247 5.188 7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.779 1.080 6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.041 5.220 5.948 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.253 3.702 4.506 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.564 4.417 8.473 1.00 0.00 N ATOM 1549 CA LEU A 102 0.534 5.284 8.876 1.00 0.00 C ATOM 1550 C LEU A 102 0.166 6.743 8.622 1.00 0.00 C ATOM 1551 O LEU A 102 -0.600 7.041 7.711 1.00 0.00 O ATOM 1552 CB LEU A 102 1.815 4.879 8.115 1.00 0.00 C ATOM 1553 CG LEU A 102 2.761 6.015 7.674 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.162 5.805 8.243 1.00 0.00 C ATOM 1555 CD2 LEU A 102 2.819 6.106 6.157 1.00 0.00 C ATOM 0 H LEU A 102 -1.044 4.713 7.623 1.00 0.00 H new ATOM 0 HA LEU A 102 0.723 5.172 9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.381 4.194 8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.518 4.322 7.226 1.00 0.00 H new ATOM 0 HG LEU A 102 2.366 6.953 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.812 6.618 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.114 5.791 9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.562 4.856 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.491 6.913 5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.186 5.164 5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.821 6.306 5.766 1.00 0.00 H new ATOM 1567 N PRO A 103 0.700 7.672 9.432 1.00 0.00 N ATOM 1568 CA PRO A 103 0.420 9.104 9.281 1.00 0.00 C ATOM 1569 C PRO A 103 0.953 9.640 7.953 1.00 0.00 C ATOM 1570 O PRO A 103 1.806 9.010 7.330 1.00 0.00 O ATOM 1571 CB PRO A 103 1.159 9.745 10.462 1.00 0.00 C ATOM 1572 CG PRO A 103 2.190 8.747 10.866 1.00 0.00 C ATOM 1573 CD PRO A 103 1.609 7.397 10.557 1.00 0.00 C ATOM 0 HA PRO A 103 -0.648 9.321 9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.618 10.690 10.173 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.476 9.960 11.284 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.120 8.905 10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.424 8.837 11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.382 6.679 10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.077 6.982 11.413 1.00 0.00 H new ATOM 1581 N LYS A 104 0.442 10.799 7.519 1.00 0.00 N ATOM 1582 CA LYS A 104 0.864 11.412 6.250 1.00 0.00 C ATOM 1583 C LYS A 104 2.336 11.150 5.936 1.00 0.00 C ATOM 1584 O LYS A 104 2.661 10.691 4.842 1.00 0.00 O ATOM 1585 CB LYS A 104 0.602 12.917 6.247 1.00 0.00 C ATOM 1586 CG LYS A 104 0.813 13.559 4.880 1.00 0.00 C ATOM 1587 CD LYS A 104 0.049 12.825 3.782 1.00 0.00 C ATOM 1588 CE LYS A 104 0.955 11.892 2.985 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.423 11.630 1.614 1.00 0.00 N ATOM 0 H LYS A 104 -0.264 11.332 8.027 1.00 0.00 H new ATOM 0 HA LYS A 104 0.264 10.940 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.421 13.102 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.260 13.396 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.490 14.599 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.877 13.563 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.763 12.250 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.406 13.551 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.950 12.330 2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.062 10.948 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.878 10.781 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.605 11.481 1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.625 12.446 1.001 1.00 0.00 H new ATOM 1603 N PRO A 105 3.259 11.423 6.880 1.00 0.00 N ATOM 1604 CA PRO A 105 4.684 11.190 6.652 1.00 0.00 C ATOM 1605 C PRO A 105 4.906 9.804 6.061 1.00 0.00 C ATOM 1606 O PRO A 105 4.017 8.955 6.121 1.00 0.00 O ATOM 1607 CB PRO A 105 5.309 11.300 8.055 1.00 0.00 C ATOM 1608 CG PRO A 105 4.156 11.401 9.006 1.00 0.00 C ATOM 1609 CD PRO A 105 3.014 11.969 8.219 1.00 0.00 C ATOM 0 HA PRO A 105 5.123 11.895 5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.925 10.429 8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.955 12.175 8.128 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.900 10.423 9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.404 12.043 9.851 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.049 11.654 8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.020 13.059 8.222 1.00 0.00 H new ATOM 1617 N PHE A 106 6.069 9.572 5.472 1.00 0.00 N ATOM 1618 CA PHE A 106 6.347 8.284 4.860 1.00 0.00 C ATOM 1619 C PHE A 106 7.719 8.275 4.205 1.00 0.00 C ATOM 1620 O PHE A 106 8.675 7.739 4.763 1.00 0.00 O ATOM 1621 CB PHE A 106 5.271 7.938 3.817 1.00 0.00 C ATOM 1622 CG PHE A 106 4.719 6.537 3.914 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.310 5.575 4.727 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.591 6.183 3.190 1.00 0.00 C ATOM 1625 CE1 PHE A 106 4.782 4.298 4.810 1.00 0.00 C ATOM 1626 CE2 PHE A 106 3.063 4.909 3.271 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.660 3.968 4.083 1.00 0.00 C ATOM 0 H PHE A 106 6.827 10.251 5.405 1.00 0.00 H new ATOM 0 HA PHE A 106 6.334 7.532 5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.448 8.645 3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.692 8.079 2.822 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.190 5.827 5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.117 6.915 2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.250 3.560 5.445 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.184 4.650 2.699 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.248 2.972 4.149 1.00 0.00 H new ATOM 1637 N ASP A 107 7.811 8.852 3.008 1.00 0.00 N ATOM 1638 CA ASP A 107 9.067 8.879 2.276 1.00 0.00 C ATOM 1639 C ASP A 107 9.751 7.522 2.383 1.00 0.00 C ATOM 1640 O ASP A 107 9.143 6.550 2.820 1.00 0.00 O ATOM 1641 CB ASP A 107 9.980 9.990 2.799 1.00 0.00 C ATOM 1642 CG ASP A 107 10.336 9.819 4.263 1.00 0.00 C ATOM 1643 OD1 ASP A 107 10.929 8.776 4.610 1.00 0.00 O ATOM 1644 OD2 ASP A 107 10.024 10.728 5.061 1.00 0.00 O ATOM 0 H ASP A 107 7.032 9.304 2.530 1.00 0.00 H new ATOM 0 HA ASP A 107 8.859 9.089 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.895 10.010 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.489 10.953 2.659 1.00 0.00 H new ATOM 1649 N ILE A 108 10.998 7.444 1.982 1.00 0.00 N ATOM 1650 CA ILE A 108 11.710 6.183 2.053 1.00 0.00 C ATOM 1651 C ILE A 108 11.963 5.759 3.485 1.00 0.00 C ATOM 1652 O ILE A 108 11.736 4.609 3.857 1.00 0.00 O ATOM 1653 CB ILE A 108 13.012 6.240 1.231 1.00 0.00 C ATOM 1654 CG1 ILE A 108 12.696 5.903 -0.225 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.096 5.305 1.769 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.372 6.462 -0.701 1.00 0.00 C ATOM 0 H ILE A 108 11.537 8.225 1.608 1.00 0.00 H new ATOM 0 HA ILE A 108 11.074 5.417 1.610 1.00 0.00 H new ATOM 0 HB ILE A 108 13.411 7.251 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.493 6.289 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.688 4.820 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 108 14.989 5.389 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.339 5.582 2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.734 4.277 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.213 6.184 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.565 6.057 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.383 7.548 -0.613 1.00 0.00 H new ATOM 1668 N ASP A 109 12.442 6.689 4.276 1.00 0.00 N ATOM 1669 CA ASP A 109 12.742 6.413 5.669 1.00 0.00 C ATOM 1670 C ASP A 109 11.556 5.774 6.388 1.00 0.00 C ATOM 1671 O ASP A 109 11.684 4.690 6.952 1.00 0.00 O ATOM 1672 CB ASP A 109 13.163 7.699 6.386 1.00 0.00 C ATOM 1673 CG ASP A 109 14.496 8.225 5.889 1.00 0.00 C ATOM 1674 OD1 ASP A 109 14.674 8.318 4.658 1.00 0.00 O ATOM 1675 OD2 ASP A 109 15.361 8.543 6.733 1.00 0.00 O ATOM 0 H ASP A 109 12.634 7.647 3.982 1.00 0.00 H new ATOM 0 HA ASP A 109 13.567 5.701 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.397 8.461 6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.226 7.511 7.458 1.00 0.00 H new ATOM 1680 N GLU A 110 10.415 6.461 6.392 1.00 0.00 N ATOM 1681 CA GLU A 110 9.226 5.969 7.075 1.00 0.00 C ATOM 1682 C GLU A 110 8.492 4.872 6.303 1.00 0.00 C ATOM 1683 O GLU A 110 7.886 3.993 6.916 1.00 0.00 O ATOM 1684 CB GLU A 110 8.260 7.122 7.387 1.00 0.00 C ATOM 1685 CG GLU A 110 8.888 8.273 8.155 1.00 0.00 C ATOM 1686 CD GLU A 110 8.752 8.111 9.656 1.00 0.00 C ATOM 1687 OE1 GLU A 110 7.745 7.522 10.101 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.652 8.576 10.387 1.00 0.00 O ATOM 0 H GLU A 110 10.292 7.361 5.928 1.00 0.00 H new ATOM 0 HA GLU A 110 9.579 5.522 8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.854 7.504 6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.421 6.732 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.944 8.346 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.419 9.208 7.850 1.00 0.00 H new ATOM 1695 N ALA A 111 8.526 4.907 4.973 1.00 0.00 N ATOM 1696 CA ALA A 111 7.829 3.886 4.200 1.00 0.00 C ATOM 1697 C ALA A 111 8.670 2.626 4.052 1.00 0.00 C ATOM 1698 O ALA A 111 8.194 1.527 4.342 1.00 0.00 O ATOM 1699 CB ALA A 111 7.359 4.416 2.853 1.00 0.00 C ATOM 0 H ALA A 111 9.015 5.612 4.421 1.00 0.00 H new ATOM 0 HA ALA A 111 6.935 3.613 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.845 3.623 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.676 5.251 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.219 4.754 2.275 1.00 0.00 H new ATOM 1705 N VAL A 112 9.926 2.771 3.636 1.00 0.00 N ATOM 1706 CA VAL A 112 10.796 1.608 3.507 1.00 0.00 C ATOM 1707 C VAL A 112 10.931 0.915 4.854 1.00 0.00 C ATOM 1708 O VAL A 112 11.069 -0.304 4.939 1.00 0.00 O ATOM 1709 CB VAL A 112 12.195 1.972 2.987 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.021 0.709 2.784 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.090 2.764 1.696 1.00 0.00 C ATOM 0 H VAL A 112 10.356 3.662 3.388 1.00 0.00 H new ATOM 0 HA VAL A 112 10.334 0.943 2.777 1.00 0.00 H new ATOM 0 HB VAL A 112 12.696 2.596 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.011 0.977 2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.118 0.181 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.526 0.063 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.089 3.014 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.576 2.166 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.529 3.681 1.876 1.00 0.00 H new ATOM 1721 N ALA A 113 10.864 1.709 5.908 1.00 0.00 N ATOM 1722 CA ALA A 113 10.946 1.193 7.261 1.00 0.00 C ATOM 1723 C ALA A 113 9.816 0.208 7.510 1.00 0.00 C ATOM 1724 O ALA A 113 10.025 -0.909 7.984 1.00 0.00 O ATOM 1725 CB ALA A 113 10.842 2.335 8.255 1.00 0.00 C ATOM 0 H ALA A 113 10.752 2.721 5.851 1.00 0.00 H new ATOM 0 HA ALA A 113 11.903 0.686 7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.904 1.941 9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.658 3.038 8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.889 2.847 8.122 1.00 0.00 H new ATOM 1731 N LEU A 114 8.611 0.664 7.199 1.00 0.00 N ATOM 1732 CA LEU A 114 7.407 -0.124 7.392 1.00 0.00 C ATOM 1733 C LEU A 114 7.241 -1.214 6.333 1.00 0.00 C ATOM 1734 O LEU A 114 6.524 -2.189 6.556 1.00 0.00 O ATOM 1735 CB LEU A 114 6.184 0.796 7.394 1.00 0.00 C ATOM 1736 CG LEU A 114 4.845 0.097 7.623 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.536 0.001 9.108 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.728 0.830 6.901 1.00 0.00 C ATOM 0 H LEU A 114 8.443 1.590 6.806 1.00 0.00 H new ATOM 0 HA LEU A 114 7.499 -0.627 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.319 1.551 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.143 1.322 6.440 1.00 0.00 H new ATOM 0 HG LEU A 114 4.917 -0.912 7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.578 -0.500 9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.320 -0.569 9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.488 1.003 9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.783 0.316 7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.661 1.851 7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.937 0.849 5.831 1.00 0.00 H new ATOM 1750 N VAL A 115 7.888 -1.056 5.184 1.00 0.00 N ATOM 1751 CA VAL A 115 7.766 -2.056 4.125 1.00 0.00 C ATOM 1752 C VAL A 115 8.654 -3.275 4.382 1.00 0.00 C ATOM 1753 O VAL A 115 8.199 -4.414 4.276 1.00 0.00 O ATOM 1754 CB VAL A 115 8.062 -1.478 2.721 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.556 -1.321 2.485 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.445 -2.363 1.649 1.00 0.00 C ATOM 0 H VAL A 115 8.491 -0.264 4.962 1.00 0.00 H new ATOM 0 HA VAL A 115 6.724 -2.374 4.143 1.00 0.00 H new ATOM 0 HB VAL A 115 7.613 -0.486 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.726 -0.913 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.973 -0.644 3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.041 -2.294 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.660 -1.946 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.866 -3.366 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.366 -2.412 1.794 1.00 0.00 H new ATOM 1766 N GLU A 116 9.919 -3.032 4.713 1.00 0.00 N ATOM 1767 CA GLU A 116 10.858 -4.117 4.977 1.00 0.00 C ATOM 1768 C GLU A 116 10.443 -4.901 6.214 1.00 0.00 C ATOM 1769 O GLU A 116 10.521 -6.130 6.235 1.00 0.00 O ATOM 1770 CB GLU A 116 12.275 -3.566 5.140 1.00 0.00 C ATOM 1771 CG GLU A 116 12.906 -3.141 3.824 1.00 0.00 C ATOM 1772 CD GLU A 116 14.322 -2.627 3.987 1.00 0.00 C ATOM 1773 OE1 GLU A 116 15.225 -3.446 4.257 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.529 -1.405 3.839 1.00 0.00 O ATOM 0 H GLU A 116 10.316 -2.097 4.804 1.00 0.00 H new ATOM 0 HA GLU A 116 10.846 -4.797 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.250 -2.712 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.902 -4.325 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.909 -3.988 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.293 -2.364 3.367 1.00 0.00 H new ATOM 1781 N ARG A 117 9.988 -4.191 7.241 1.00 0.00 N ATOM 1782 CA ARG A 117 9.549 -4.840 8.469 1.00 0.00 C ATOM 1783 C ARG A 117 8.354 -5.747 8.193 1.00 0.00 C ATOM 1784 O ARG A 117 8.110 -6.708 8.921 1.00 0.00 O ATOM 1785 CB ARG A 117 9.189 -3.800 9.534 1.00 0.00 C ATOM 1786 CG ARG A 117 7.967 -2.964 9.187 1.00 0.00 C ATOM 1787 CD ARG A 117 7.549 -2.081 10.354 1.00 0.00 C ATOM 1788 NE ARG A 117 6.627 -2.764 11.259 1.00 0.00 N ATOM 1789 CZ ARG A 117 7.002 -3.416 12.358 1.00 0.00 C ATOM 1790 NH1 ARG A 117 8.286 -3.510 12.684 1.00 0.00 N ATOM 1791 NH2 ARG A 117 6.089 -3.985 13.133 1.00 0.00 N ATOM 0 H ARG A 117 9.914 -3.174 7.247 1.00 0.00 H new ATOM 0 HA ARG A 117 10.372 -5.448 8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.012 -4.310 10.481 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.041 -3.137 9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.184 -2.343 8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.142 -3.620 8.911 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.435 -1.769 10.907 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.077 -1.176 9.972 1.00 0.00 H new ATOM 0 HE ARG A 117 5.632 -2.740 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 117 8.996 -3.081 12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.562 -4.012 13.528 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.101 -3.923 12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.375 -4.485 13.975 1.00 0.00 H new ATOM 1805 N ALA A 118 7.617 -5.431 7.133 1.00 0.00 N ATOM 1806 CA ALA A 118 6.449 -6.213 6.751 1.00 0.00 C ATOM 1807 C ALA A 118 6.857 -7.576 6.203 1.00 0.00 C ATOM 1808 O ALA A 118 6.334 -8.607 6.625 1.00 0.00 O ATOM 1809 CB ALA A 118 5.619 -5.461 5.723 1.00 0.00 C ATOM 0 H ALA A 118 7.809 -4.637 6.523 1.00 0.00 H new ATOM 0 HA ALA A 118 5.845 -6.372 7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.750 -6.059 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.287 -4.513 6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.223 -5.271 4.836 1.00 0.00 H new ATOM 1815 N ILE A 119 7.795 -7.572 5.262 1.00 0.00 N ATOM 1816 CA ILE A 119 8.276 -8.806 4.659 1.00 0.00 C ATOM 1817 C ILE A 119 9.020 -9.655 5.681 1.00 0.00 C ATOM 1818 O ILE A 119 9.002 -10.884 5.620 1.00 0.00 O ATOM 1819 CB ILE A 119 9.209 -8.516 3.468 1.00 0.00 C ATOM 1820 CG1 ILE A 119 8.549 -7.539 2.494 1.00 0.00 C ATOM 1821 CG2 ILE A 119 9.591 -9.803 2.755 1.00 0.00 C ATOM 1822 CD1 ILE A 119 9.522 -6.554 1.892 1.00 0.00 C ATOM 0 H ILE A 119 8.237 -6.726 4.901 1.00 0.00 H new ATOM 0 HA ILE A 119 7.403 -9.353 4.302 1.00 0.00 H new ATOM 0 HB ILE A 119 10.119 -8.057 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.069 -8.102 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.763 -6.992 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.250 -9.573 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.106 -10.465 3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.691 -10.294 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.992 -5.889 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.983 -5.967 2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 119 10.294 -7.094 1.344 1.00 0.00 H new ATOM 1834 N SER A 120 9.671 -8.983 6.621 1.00 0.00 N ATOM 1835 CA SER A 120 10.425 -9.659 7.668 1.00 0.00 C ATOM 1836 C SER A 120 9.485 -10.371 8.636 1.00 0.00 C ATOM 1837 O SER A 120 9.825 -11.414 9.193 1.00 0.00 O ATOM 1838 CB SER A 120 11.297 -8.657 8.428 1.00 0.00 C ATOM 1839 OG SER A 120 12.501 -9.261 8.871 1.00 0.00 O ATOM 0 H SER A 120 9.692 -7.965 6.680 1.00 0.00 H new ATOM 0 HA SER A 120 11.068 -10.403 7.198 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.528 -7.809 7.783 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.746 -8.266 9.284 1.00 0.00 H new ATOM 0 HG SER A 120 13.041 -8.600 9.352 1.00 0.00 H new ATOM 1845 N HIS A 121 8.302 -9.799 8.828 1.00 0.00 N ATOM 1846 CA HIS A 121 7.309 -10.378 9.725 1.00 0.00 C ATOM 1847 C HIS A 121 6.742 -11.672 9.149 1.00 0.00 C ATOM 1848 O HIS A 121 6.269 -12.536 9.886 1.00 0.00 O ATOM 1849 CB HIS A 121 6.179 -9.377 9.979 1.00 0.00 C ATOM 1850 CG HIS A 121 6.478 -8.402 11.075 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.760 -8.084 11.468 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.652 -7.671 11.864 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.713 -7.203 12.452 1.00 0.00 C ATOM 1854 NE2 HIS A 121 6.446 -6.935 12.710 1.00 0.00 N ATOM 0 H HIS A 121 8.007 -8.934 8.374 1.00 0.00 H new ATOM 0 HA HIS A 121 7.799 -10.610 10.670 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.978 -8.827 9.060 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.270 -9.924 10.228 1.00 0.00 H new ATOM 0 HD1 HIS A 121 8.613 -8.469 11.062 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.572 -7.668 11.833 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.565 -6.775 12.959 1.00 0.00 H new