USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -163:sc= -5.43! (180deg=-7.86!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -5.66! USER MOD Single : A 20 HIS :FLIP no HE2:sc= -1.57! C(o=-2.3!,f=-1.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.123 USER MOD Single : A 40 SER OG : rot 180:sc= -0.264 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -15.8! C(o=-17!,f=-16!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 13.357 6.415 -7.938 1.00 0.00 N ATOM 37 CA MET A 1 12.161 5.594 -7.858 1.00 0.00 C ATOM 38 C MET A 1 11.229 5.867 -9.040 1.00 0.00 C ATOM 39 O MET A 1 10.834 7.008 -9.273 1.00 0.00 O ATOM 40 CB MET A 1 11.426 5.888 -6.549 1.00 0.00 C ATOM 41 CG MET A 1 9.914 5.724 -6.720 1.00 0.00 C ATOM 42 SD MET A 1 9.170 5.263 -5.165 1.00 0.00 S ATOM 43 CE MET A 1 9.892 3.645 -4.944 1.00 0.00 C ATOM 0 H1 MET A 1 13.973 6.211 -7.125 1.00 0.00 H new ATOM 0 H2 MET A 1 13.866 6.202 -8.820 1.00 0.00 H new ATOM 0 H3 MET A 1 13.090 7.420 -7.926 1.00 0.00 H new ATOM 0 HA MET A 1 12.459 4.546 -7.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.782 5.215 -5.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.651 6.903 -6.222 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.477 6.656 -7.079 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.705 4.963 -7.472 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.322 3.091 -4.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.872 3.105 -5.891 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.924 3.750 -4.608 1.00 0.00 H new ATOM 53 N ASP A 2 10.903 4.799 -9.754 1.00 0.00 N ATOM 54 CA ASP A 2 10.025 4.909 -10.906 1.00 0.00 C ATOM 55 C ASP A 2 8.895 3.885 -10.780 1.00 0.00 C ATOM 56 O ASP A 2 9.065 2.842 -10.150 1.00 0.00 O ATOM 57 CB ASP A 2 10.780 4.622 -12.205 1.00 0.00 C ATOM 58 CG ASP A 2 12.056 5.442 -12.406 1.00 0.00 C ATOM 59 OD1 ASP A 2 11.914 6.654 -12.677 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.144 4.839 -12.285 1.00 0.00 O ATOM 0 H ASP A 2 11.231 3.854 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 2 9.633 5.926 -10.935 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.039 3.563 -12.231 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.111 4.807 -13.045 1.00 0.00 H new ATOM 65 N LEU A 3 7.767 4.218 -11.390 1.00 0.00 N ATOM 66 CA LEU A 3 6.609 3.340 -11.353 1.00 0.00 C ATOM 67 C LEU A 3 7.001 1.964 -11.896 1.00 0.00 C ATOM 68 O LEU A 3 6.668 0.941 -11.300 1.00 0.00 O ATOM 69 CB LEU A 3 5.430 3.978 -12.090 1.00 0.00 C ATOM 70 CG LEU A 3 4.465 4.796 -11.229 1.00 0.00 C ATOM 71 CD1 LEU A 3 4.753 6.294 -11.355 1.00 0.00 C ATOM 72 CD2 LEU A 3 3.011 4.462 -11.567 1.00 0.00 C ATOM 0 H LEU A 3 7.630 5.083 -11.913 1.00 0.00 H new ATOM 0 HA LEU A 3 6.273 3.195 -10.326 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.824 4.625 -12.874 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.865 3.187 -12.583 1.00 0.00 H new ATOM 0 HG LEU A 3 4.624 4.524 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.053 6.853 -10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.772 6.497 -11.027 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.639 6.600 -12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.346 5.057 -10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.820 4.688 -12.616 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.829 3.403 -11.385 1.00 0.00 H new ATOM 84 N GLU A 4 7.702 1.984 -13.019 1.00 0.00 N ATOM 85 CA GLU A 4 8.143 0.751 -13.649 1.00 0.00 C ATOM 86 C GLU A 4 8.913 -0.111 -12.646 1.00 0.00 C ATOM 87 O GLU A 4 8.790 -1.335 -12.651 1.00 0.00 O ATOM 88 CB GLU A 4 8.992 1.040 -14.888 1.00 0.00 C ATOM 89 CG GLU A 4 8.118 1.506 -16.054 1.00 0.00 C ATOM 90 CD GLU A 4 8.313 3.000 -16.322 1.00 0.00 C ATOM 91 OE1 GLU A 4 7.889 3.793 -15.454 1.00 0.00 O ATOM 92 OE2 GLU A 4 8.882 3.316 -17.389 1.00 0.00 O ATOM 0 H GLU A 4 7.976 2.835 -13.510 1.00 0.00 H new ATOM 0 HA GLU A 4 7.262 0.198 -13.974 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.733 1.805 -14.655 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.540 0.143 -15.175 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.366 0.937 -16.950 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.070 1.307 -15.830 1.00 0.00 H new ATOM 99 N THR A 5 9.690 0.562 -11.809 1.00 0.00 N ATOM 100 CA THR A 5 10.479 -0.127 -10.803 1.00 0.00 C ATOM 101 C THR A 5 9.601 -0.523 -9.615 1.00 0.00 C ATOM 102 O THR A 5 9.827 -1.557 -8.988 1.00 0.00 O ATOM 103 CB THR A 5 11.650 0.780 -10.418 1.00 0.00 C ATOM 104 OG1 THR A 5 12.667 0.452 -11.360 1.00 0.00 O ATOM 105 CG2 THR A 5 12.260 0.406 -9.066 1.00 0.00 C ATOM 0 H THR A 5 9.789 1.577 -11.808 1.00 0.00 H new ATOM 0 HA THR A 5 10.886 -1.061 -11.191 1.00 0.00 H new ATOM 0 HB THR A 5 11.313 1.816 -10.390 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.463 0.996 -11.184 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.086 1.080 -8.841 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.501 0.490 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.628 -0.619 -9.104 1.00 0.00 H new ATOM 113 N LEU A 6 8.617 0.321 -9.340 1.00 0.00 N ATOM 114 CA LEU A 6 7.703 0.072 -8.238 1.00 0.00 C ATOM 115 C LEU A 6 7.080 -1.315 -8.401 1.00 0.00 C ATOM 116 O LEU A 6 6.906 -2.041 -7.424 1.00 0.00 O ATOM 117 CB LEU A 6 6.675 1.200 -8.130 1.00 0.00 C ATOM 118 CG LEU A 6 7.001 2.311 -7.129 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.609 1.735 -5.849 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.900 3.374 -7.764 1.00 0.00 C ATOM 0 H LEU A 6 8.433 1.178 -9.861 1.00 0.00 H new ATOM 0 HA LEU A 6 8.241 0.070 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.554 1.650 -9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.714 0.764 -7.858 1.00 0.00 H new ATOM 0 HG LEU A 6 6.070 2.803 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.831 2.546 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.901 1.046 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.529 1.202 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.117 4.152 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.832 2.914 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.392 3.815 -8.622 1.00 0.00 H new ATOM 132 N ARG A 7 6.759 -1.642 -9.645 1.00 0.00 N ATOM 133 CA ARG A 7 6.158 -2.930 -9.949 1.00 0.00 C ATOM 134 C ARG A 7 7.073 -4.065 -9.485 1.00 0.00 C ATOM 135 O ARG A 7 6.598 -5.132 -9.098 1.00 0.00 O ATOM 136 CB ARG A 7 5.897 -3.075 -11.449 1.00 0.00 C ATOM 137 CG ARG A 7 5.438 -1.748 -12.057 1.00 0.00 C ATOM 138 CD ARG A 7 4.445 -1.037 -11.135 1.00 0.00 C ATOM 139 NE ARG A 7 3.372 -0.408 -11.936 1.00 0.00 N ATOM 140 CZ ARG A 7 2.269 0.145 -11.413 1.00 0.00 C ATOM 141 NH1 ARG A 7 2.087 0.149 -10.085 1.00 0.00 N ATOM 142 NH2 ARG A 7 1.348 0.693 -12.217 1.00 0.00 N ATOM 0 H ARG A 7 6.904 -1.037 -10.454 1.00 0.00 H new ATOM 0 HA ARG A 7 5.207 -2.986 -9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.805 -3.413 -11.949 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.137 -3.838 -11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.301 -1.106 -12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.974 -1.929 -13.027 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.015 -1.750 -10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.962 -0.280 -10.545 1.00 0.00 H new ATOM 0 HE ARG A 7 3.478 -0.394 -12.950 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.788 -0.269 -9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.248 0.570 -9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.486 0.689 -13.228 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.509 1.114 -11.819 1.00 0.00 H new ATOM 156 N ALA A 8 8.370 -3.797 -9.540 1.00 0.00 N ATOM 157 CA ALA A 8 9.356 -4.783 -9.131 1.00 0.00 C ATOM 158 C ALA A 8 9.136 -5.136 -7.658 1.00 0.00 C ATOM 159 O ALA A 8 9.018 -6.310 -7.309 1.00 0.00 O ATOM 160 CB ALA A 8 10.761 -4.241 -9.397 1.00 0.00 C ATOM 0 H ALA A 8 8.761 -2.911 -9.862 1.00 0.00 H new ATOM 0 HA ALA A 8 9.246 -5.700 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.500 -4.981 -9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.875 -4.033 -10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.910 -3.322 -8.830 1.00 0.00 H new ATOM 166 N ARG A 9 9.089 -4.100 -6.835 1.00 0.00 N ATOM 167 CA ARG A 9 8.886 -4.286 -5.408 1.00 0.00 C ATOM 168 C ARG A 9 7.420 -4.613 -5.119 1.00 0.00 C ATOM 169 O ARG A 9 7.119 -5.371 -4.198 1.00 0.00 O ATOM 170 CB ARG A 9 9.286 -3.033 -4.627 1.00 0.00 C ATOM 171 CG ARG A 9 10.397 -2.268 -5.348 1.00 0.00 C ATOM 172 CD ARG A 9 9.876 -0.942 -5.906 1.00 0.00 C ATOM 173 NE ARG A 9 10.487 0.190 -5.174 1.00 0.00 N ATOM 174 CZ ARG A 9 11.802 0.445 -5.144 1.00 0.00 C ATOM 175 NH1 ARG A 9 12.653 -0.351 -5.807 1.00 0.00 N ATOM 176 NH2 ARG A 9 12.266 1.494 -4.453 1.00 0.00 N ATOM 0 H ARG A 9 9.188 -3.128 -7.129 1.00 0.00 H new ATOM 0 HA ARG A 9 9.517 -5.116 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.418 -2.386 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.622 -3.314 -3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.220 -2.078 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.795 -2.877 -6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.110 -0.868 -6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.791 -0.901 -5.815 1.00 0.00 H new ATOM 0 HE ARG A 9 9.867 0.816 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.299 -1.150 -6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.654 -0.158 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.618 2.100 -3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.267 1.687 -4.431 1.00 0.00 H new ATOM 190 N ARG A 10 6.546 -4.025 -5.923 1.00 0.00 N ATOM 191 CA ARG A 10 5.118 -4.244 -5.765 1.00 0.00 C ATOM 192 C ARG A 10 4.798 -5.738 -5.851 1.00 0.00 C ATOM 193 O ARG A 10 3.884 -6.220 -5.183 1.00 0.00 O ATOM 194 CB ARG A 10 4.324 -3.497 -6.838 1.00 0.00 C ATOM 195 CG ARG A 10 2.967 -3.041 -6.298 1.00 0.00 C ATOM 196 CD ARG A 10 3.011 -1.571 -5.876 1.00 0.00 C ATOM 197 NE ARG A 10 4.166 -1.335 -4.982 1.00 0.00 N ATOM 198 CZ ARG A 10 4.184 -1.647 -3.679 1.00 0.00 C ATOM 199 NH1 ARG A 10 3.110 -2.210 -3.110 1.00 0.00 N ATOM 200 NH2 ARG A 10 5.277 -1.397 -2.945 1.00 0.00 N ATOM 0 H ARG A 10 6.799 -3.397 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 10 4.830 -3.863 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.892 -2.632 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.177 -4.144 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.202 -3.181 -7.062 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.684 -3.659 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.086 -0.933 -6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.086 -1.303 -5.366 1.00 0.00 H new ATOM 0 HE ARG A 10 5.001 -0.908 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.278 -2.401 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.124 -2.447 -2.118 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.095 -0.969 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.291 -1.635 -1.953 1.00 0.00 H new ATOM 214 N GLU A 11 5.568 -6.429 -6.678 1.00 0.00 N ATOM 215 CA GLU A 11 5.378 -7.858 -6.860 1.00 0.00 C ATOM 216 C GLU A 11 5.812 -8.616 -5.603 1.00 0.00 C ATOM 217 O GLU A 11 5.088 -9.482 -5.115 1.00 0.00 O ATOM 218 CB GLU A 11 6.134 -8.360 -8.092 1.00 0.00 C ATOM 219 CG GLU A 11 5.163 -8.799 -9.190 1.00 0.00 C ATOM 220 CD GLU A 11 5.662 -10.066 -9.888 1.00 0.00 C ATOM 221 OE1 GLU A 11 5.377 -11.159 -9.352 1.00 0.00 O ATOM 222 OE2 GLU A 11 6.318 -9.913 -10.941 1.00 0.00 O ATOM 0 H GLU A 11 6.325 -6.026 -7.230 1.00 0.00 H new ATOM 0 HA GLU A 11 4.317 -8.045 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.784 -7.571 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.776 -9.196 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.179 -8.981 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.048 -7.998 -9.920 1.00 0.00 H new ATOM 229 N ALA A 12 6.992 -8.261 -5.116 1.00 0.00 N ATOM 230 CA ALA A 12 7.531 -8.897 -3.926 1.00 0.00 C ATOM 231 C ALA A 12 6.753 -8.416 -2.699 1.00 0.00 C ATOM 232 O ALA A 12 6.463 -9.201 -1.798 1.00 0.00 O ATOM 233 CB ALA A 12 9.028 -8.597 -3.821 1.00 0.00 C ATOM 0 H ALA A 12 7.589 -7.542 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 12 7.418 -9.980 -3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.433 -9.074 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.539 -8.984 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.180 -7.519 -3.757 1.00 0.00 H new ATOM 239 N VAL A 13 6.438 -7.129 -2.705 1.00 0.00 N ATOM 240 CA VAL A 13 5.700 -6.535 -1.604 1.00 0.00 C ATOM 241 C VAL A 13 4.352 -7.244 -1.458 1.00 0.00 C ATOM 242 O VAL A 13 3.875 -7.456 -0.344 1.00 0.00 O ATOM 243 CB VAL A 13 5.561 -5.027 -1.820 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.565 -4.420 -0.830 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.921 -4.332 -1.727 1.00 0.00 C ATOM 0 H VAL A 13 6.680 -6.481 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 13 6.241 -6.667 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 13 5.172 -4.867 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.485 -3.347 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.588 -4.884 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.911 -4.596 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.794 -3.261 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.351 -4.505 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.588 -4.734 -2.490 1.00 0.00 H new ATOM 255 N LEU A 14 3.776 -7.592 -2.599 1.00 0.00 N ATOM 256 CA LEU A 14 2.492 -8.274 -2.612 1.00 0.00 C ATOM 257 C LEU A 14 2.651 -9.663 -1.992 1.00 0.00 C ATOM 258 O LEU A 14 1.803 -10.102 -1.217 1.00 0.00 O ATOM 259 CB LEU A 14 1.911 -8.294 -4.027 1.00 0.00 C ATOM 260 CG LEU A 14 0.917 -7.180 -4.360 1.00 0.00 C ATOM 261 CD1 LEU A 14 1.343 -6.423 -5.619 1.00 0.00 C ATOM 262 CD2 LEU A 14 -0.506 -7.731 -4.476 1.00 0.00 C ATOM 0 H LEU A 14 4.174 -7.415 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 14 1.767 -7.734 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.736 -8.242 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.417 -9.253 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 14 0.919 -6.464 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.619 -5.637 -5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.326 -5.978 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.388 -7.114 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.193 -6.918 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.543 -8.480 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.798 -8.188 -3.530 1.00 0.00 H new ATOM 274 N SER A 15 3.744 -10.318 -2.358 1.00 0.00 N ATOM 275 CA SER A 15 4.024 -11.649 -1.848 1.00 0.00 C ATOM 276 C SER A 15 4.210 -11.599 -0.330 1.00 0.00 C ATOM 277 O SER A 15 3.689 -12.448 0.391 1.00 0.00 O ATOM 278 CB SER A 15 5.266 -12.244 -2.515 1.00 0.00 C ATOM 279 OG SER A 15 5.161 -13.656 -2.674 1.00 0.00 O ATOM 0 H SER A 15 4.445 -9.951 -3.001 1.00 0.00 H new ATOM 0 HA SER A 15 3.175 -12.291 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.412 -11.779 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.146 -12.011 -1.916 1.00 0.00 H new ATOM 0 HG SER A 15 5.972 -13.998 -3.105 1.00 0.00 H new ATOM 285 N LEU A 16 4.955 -10.596 0.111 1.00 0.00 N ATOM 286 CA LEU A 16 5.216 -10.424 1.530 1.00 0.00 C ATOM 287 C LEU A 16 3.966 -9.863 2.210 1.00 0.00 C ATOM 288 O LEU A 16 3.668 -10.209 3.352 1.00 0.00 O ATOM 289 CB LEU A 16 6.468 -9.571 1.745 1.00 0.00 C ATOM 290 CG LEU A 16 6.464 -8.193 1.080 1.00 0.00 C ATOM 291 CD1 LEU A 16 5.676 -7.183 1.916 1.00 0.00 C ATOM 292 CD2 LEU A 16 7.890 -7.716 0.797 1.00 0.00 C ATOM 0 H LEU A 16 5.386 -9.894 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 16 5.429 -11.385 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.611 -9.435 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.330 -10.127 1.377 1.00 0.00 H new ATOM 0 HG LEU A 16 5.958 -8.279 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.689 -6.212 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.646 -7.523 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.131 -7.093 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.858 -6.734 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.444 -7.650 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.385 -8.423 0.131 1.00 0.00 H new ATOM 304 N CYS A 17 3.268 -9.006 1.479 1.00 0.00 N ATOM 305 CA CYS A 17 2.056 -8.394 1.997 1.00 0.00 C ATOM 306 C CYS A 17 1.067 -9.507 2.347 1.00 0.00 C ATOM 307 O CYS A 17 0.391 -9.442 3.373 1.00 0.00 O ATOM 308 CB CYS A 17 1.461 -7.391 1.007 1.00 0.00 C ATOM 309 SG CYS A 17 2.091 -5.710 1.362 1.00 0.00 S ATOM 0 H CYS A 17 3.519 -8.721 0.532 1.00 0.00 H new ATOM 0 HA CYS A 17 2.290 -7.822 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.720 -7.677 -0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.373 -7.402 1.075 1.00 0.00 H new ATOM 0 HG CYS A 17 1.581 -4.867 0.514 1.00 0.00 H new ATOM 315 N ALA A 18 1.013 -10.503 1.475 1.00 0.00 N ATOM 316 CA ALA A 18 0.118 -11.629 1.679 1.00 0.00 C ATOM 317 C ALA A 18 0.568 -12.416 2.911 1.00 0.00 C ATOM 318 O ALA A 18 -0.259 -12.964 3.638 1.00 0.00 O ATOM 319 CB ALA A 18 0.086 -12.491 0.415 1.00 0.00 C ATOM 0 H ALA A 18 1.575 -10.554 0.625 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.899 -11.283 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.585 -13.336 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.269 -11.893 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.089 -12.859 0.200 1.00 0.00 H new ATOM 325 N ARG A 19 1.878 -12.448 3.107 1.00 0.00 N ATOM 326 CA ARG A 19 2.448 -13.159 4.239 1.00 0.00 C ATOM 327 C ARG A 19 2.197 -12.384 5.534 1.00 0.00 C ATOM 328 O ARG A 19 1.880 -12.977 6.564 1.00 0.00 O ATOM 329 CB ARG A 19 3.953 -13.364 4.059 1.00 0.00 C ATOM 330 CG ARG A 19 4.253 -14.748 3.480 1.00 0.00 C ATOM 331 CD ARG A 19 4.673 -14.649 2.012 1.00 0.00 C ATOM 332 NE ARG A 19 5.665 -15.702 1.697 1.00 0.00 N ATOM 333 CZ ARG A 19 6.962 -15.635 2.026 1.00 0.00 C ATOM 334 NH1 ARG A 19 7.433 -14.565 2.681 1.00 0.00 N ATOM 335 NH2 ARG A 19 7.788 -16.638 1.699 1.00 0.00 N ATOM 0 H ARG A 19 2.561 -11.993 2.501 1.00 0.00 H new ATOM 0 HA ARG A 19 1.964 -14.134 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.352 -12.595 3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.456 -13.251 5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.046 -15.224 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.371 -15.382 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.800 -14.755 1.368 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.099 -13.666 1.812 1.00 0.00 H new ATOM 0 HE ARG A 19 5.341 -16.530 1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.804 -13.801 2.929 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.420 -14.514 2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.429 -17.452 1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.776 -16.588 1.949 1.00 0.00 H new ATOM 349 N HIS A 20 2.348 -11.071 5.439 1.00 0.00 N ATOM 350 CA HIS A 20 2.142 -10.209 6.591 1.00 0.00 C ATOM 351 C HIS A 20 0.662 -10.218 6.979 1.00 0.00 C ATOM 352 O HIS A 20 0.327 -10.174 8.162 1.00 0.00 O ATOM 353 CB HIS A 20 2.675 -8.801 6.318 1.00 0.00 C ATOM 354 CG HIS A 20 4.178 -8.688 6.397 1.00 0.00 C ATOM 355 ND1 HIS A 20 5.123 -8.654 5.413 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 4.861 -8.596 7.597 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 6.317 -8.545 5.982 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 6.157 -8.510 7.336 1.00 0.00 N flip ATOM 0 H HIS A 20 2.610 -10.583 4.583 1.00 0.00 H new ATOM 0 HA HIS A 20 2.708 -10.590 7.441 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.349 -8.486 5.327 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.231 -8.110 7.034 1.00 0.00 H new ATOM 0 HD1 HIS A 20 4.942 -8.704 4.410 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.413 -8.595 8.580 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.260 -8.493 5.459 1.00 0.00 H new ATOM 366 N GLY A 21 -0.184 -10.275 5.961 1.00 0.00 N ATOM 367 CA GLY A 21 -1.620 -10.290 6.182 1.00 0.00 C ATOM 368 C GLY A 21 -2.300 -9.135 5.443 1.00 0.00 C ATOM 369 O GLY A 21 -2.986 -8.319 6.057 1.00 0.00 O ATOM 0 H GLY A 21 0.097 -10.311 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.034 -11.239 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.828 -10.216 7.249 1.00 0.00 H new ATOM 373 N ALA A 22 -2.087 -9.103 4.136 1.00 0.00 N ATOM 374 CA ALA A 22 -2.671 -8.062 3.307 1.00 0.00 C ATOM 375 C ALA A 22 -3.342 -8.702 2.090 1.00 0.00 C ATOM 376 O ALA A 22 -2.663 -9.187 1.186 1.00 0.00 O ATOM 377 CB ALA A 22 -1.588 -7.055 2.914 1.00 0.00 C ATOM 0 H ALA A 22 -1.518 -9.782 3.630 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.438 -7.517 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.026 -6.274 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.164 -6.608 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.802 -7.565 2.357 1.00 0.00 H new ATOM 383 N VAL A 23 -4.666 -8.682 2.106 1.00 0.00 N ATOM 384 CA VAL A 23 -5.437 -9.254 1.015 1.00 0.00 C ATOM 385 C VAL A 23 -5.762 -8.158 -0.003 1.00 0.00 C ATOM 386 O VAL A 23 -5.483 -8.308 -1.192 1.00 0.00 O ATOM 387 CB VAL A 23 -6.684 -9.950 1.563 1.00 0.00 C ATOM 388 CG1 VAL A 23 -6.310 -10.998 2.613 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.674 -8.932 2.133 1.00 0.00 C ATOM 0 H VAL A 23 -5.225 -8.278 2.858 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.857 -10.018 0.497 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.172 -10.464 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.215 -11.478 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.660 -11.749 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.788 -10.515 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.552 -9.453 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.200 -8.377 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.977 -8.240 1.347 1.00 0.00 H new ATOM 399 N ARG A 24 -6.348 -7.082 0.501 1.00 0.00 N ATOM 400 CA ARG A 24 -6.714 -5.962 -0.349 1.00 0.00 C ATOM 401 C ARG A 24 -5.468 -5.168 -0.747 1.00 0.00 C ATOM 402 O ARG A 24 -5.344 -3.992 -0.409 1.00 0.00 O ATOM 403 CB ARG A 24 -7.699 -5.031 0.361 1.00 0.00 C ATOM 404 CG ARG A 24 -9.143 -5.375 -0.010 1.00 0.00 C ATOM 405 CD ARG A 24 -9.637 -4.499 -1.163 1.00 0.00 C ATOM 406 NE ARG A 24 -10.606 -5.250 -1.991 1.00 0.00 N ATOM 407 CZ ARG A 24 -11.067 -4.829 -3.177 1.00 0.00 C ATOM 408 NH1 ARG A 24 -10.649 -3.660 -3.681 1.00 0.00 N ATOM 409 NH2 ARG A 24 -11.945 -5.577 -3.858 1.00 0.00 N ATOM 0 H ARG A 24 -6.578 -6.962 1.487 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.192 -6.365 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.568 -5.112 1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.487 -3.997 0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.209 -6.426 -0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.788 -5.237 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.105 -3.596 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.794 -4.180 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.945 -6.145 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.980 -3.091 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.000 -3.339 -4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.263 -6.467 -3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.296 -5.257 -4.761 1.00 0.00 H new ATOM 423 N VAL A 25 -4.577 -5.842 -1.459 1.00 0.00 N ATOM 424 CA VAL A 25 -3.346 -5.214 -1.906 1.00 0.00 C ATOM 425 C VAL A 25 -3.618 -4.422 -3.186 1.00 0.00 C ATOM 426 O VAL A 25 -3.567 -4.973 -4.284 1.00 0.00 O ATOM 427 CB VAL A 25 -2.252 -6.271 -2.078 1.00 0.00 C ATOM 428 CG1 VAL A 25 -0.868 -5.622 -2.133 1.00 0.00 C ATOM 429 CG2 VAL A 25 -2.323 -7.319 -0.966 1.00 0.00 C ATOM 0 H VAL A 25 -4.683 -6.817 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.984 -4.509 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.422 -6.779 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.109 -6.394 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.823 -4.932 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.685 -5.077 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.535 -8.058 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.191 -6.833 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.294 -7.814 -0.994 1.00 0.00 H new ATOM 439 N ARG A 26 -3.902 -3.141 -3.002 1.00 0.00 N ATOM 440 CA ARG A 26 -4.182 -2.267 -4.128 1.00 0.00 C ATOM 441 C ARG A 26 -3.597 -0.875 -3.879 1.00 0.00 C ATOM 442 O ARG A 26 -3.390 -0.481 -2.732 1.00 0.00 O ATOM 443 CB ARG A 26 -5.688 -2.143 -4.368 1.00 0.00 C ATOM 444 CG ARG A 26 -6.248 -3.417 -5.005 1.00 0.00 C ATOM 445 CD ARG A 26 -7.497 -3.897 -4.264 1.00 0.00 C ATOM 446 NE ARG A 26 -7.423 -5.358 -4.040 1.00 0.00 N ATOM 447 CZ ARG A 26 -7.826 -6.276 -4.929 1.00 0.00 C ATOM 448 NH1 ARG A 26 -8.334 -5.890 -6.107 1.00 0.00 N ATOM 449 NH2 ARG A 26 -7.720 -7.580 -4.640 1.00 0.00 N ATOM 0 H ARG A 26 -3.944 -2.687 -2.089 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.719 -2.707 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.196 -1.951 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.888 -1.290 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.491 -3.228 -6.051 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.489 -4.199 -4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.585 -3.379 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.389 -3.654 -4.842 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.041 -5.687 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.414 -4.897 -6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.641 -6.589 -6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.333 -7.874 -3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.027 -8.279 -5.317 1.00 0.00 H new ATOM 463 N VAL A 27 -3.347 -0.169 -4.971 1.00 0.00 N ATOM 464 CA VAL A 27 -2.790 1.170 -4.886 1.00 0.00 C ATOM 465 C VAL A 27 -3.906 2.197 -5.093 1.00 0.00 C ATOM 466 O VAL A 27 -4.615 2.153 -6.097 1.00 0.00 O ATOM 467 CB VAL A 27 -1.642 1.325 -5.885 1.00 0.00 C ATOM 468 CG1 VAL A 27 -0.845 2.602 -5.613 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.731 0.096 -5.868 1.00 0.00 C ATOM 0 H VAL A 27 -3.520 -0.499 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.367 1.345 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.075 1.408 -6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.035 2.687 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.503 3.467 -5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.428 2.563 -4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.077 0.232 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.311 -0.032 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.309 -0.789 -6.135 1.00 0.00 H new ATOM 479 N PHE A 28 -4.026 3.096 -4.128 1.00 0.00 N ATOM 480 CA PHE A 28 -5.043 4.131 -4.192 1.00 0.00 C ATOM 481 C PHE A 28 -4.420 5.522 -4.053 1.00 0.00 C ATOM 482 O PHE A 28 -3.577 5.744 -3.185 1.00 0.00 O ATOM 483 CB PHE A 28 -5.998 3.894 -3.020 1.00 0.00 C ATOM 484 CG PHE A 28 -5.565 4.569 -1.718 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.923 5.857 -1.468 1.00 0.00 C ATOM 486 CD2 PHE A 28 -4.822 3.882 -0.810 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.521 6.484 -0.259 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.420 4.509 0.399 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.778 5.797 0.649 1.00 0.00 C ATOM 0 H PHE A 28 -3.435 3.129 -3.297 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.558 4.087 -5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.989 4.257 -3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.087 2.821 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.513 6.403 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.537 2.859 -1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.806 7.507 -0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.830 3.963 1.120 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.472 6.274 1.568 1.00 0.00 H new ATOM 499 N GLY A 29 -4.859 6.421 -4.921 1.00 0.00 N ATOM 500 CA GLY A 29 -4.355 7.784 -4.906 1.00 0.00 C ATOM 501 C GLY A 29 -3.758 8.163 -6.263 1.00 0.00 C ATOM 502 O GLY A 29 -4.079 7.549 -7.279 1.00 0.00 O ATOM 0 H GLY A 29 -5.558 6.233 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.163 8.471 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.597 7.887 -4.130 1.00 0.00 H new ATOM 506 N SER A 30 -2.900 9.172 -6.235 1.00 0.00 N ATOM 507 CA SER A 30 -2.256 9.640 -7.450 1.00 0.00 C ATOM 508 C SER A 30 -1.193 8.636 -7.898 1.00 0.00 C ATOM 509 O SER A 30 -0.921 8.505 -9.091 1.00 0.00 O ATOM 510 CB SER A 30 -1.628 11.021 -7.244 1.00 0.00 C ATOM 511 OG SER A 30 -1.751 11.467 -5.896 1.00 0.00 O ATOM 0 H SER A 30 -2.636 9.678 -5.390 1.00 0.00 H new ATOM 0 HA SER A 30 -3.015 9.728 -8.227 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.574 10.985 -7.519 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.107 11.740 -7.909 1.00 0.00 H new ATOM 0 HG SER A 30 -1.337 12.351 -5.805 1.00 0.00 H new ATOM 517 N VAL A 31 -0.619 7.952 -6.919 1.00 0.00 N ATOM 518 CA VAL A 31 0.408 6.963 -7.198 1.00 0.00 C ATOM 519 C VAL A 31 -0.155 5.903 -8.146 1.00 0.00 C ATOM 520 O VAL A 31 0.468 5.574 -9.155 1.00 0.00 O ATOM 521 CB VAL A 31 0.937 6.374 -5.889 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.887 5.206 -6.157 1.00 0.00 C ATOM 523 CG2 VAL A 31 1.617 7.450 -5.039 1.00 0.00 C ATOM 0 H VAL A 31 -0.846 8.063 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 31 1.259 7.427 -7.697 1.00 0.00 H new ATOM 0 HB VAL A 31 0.086 5.990 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.248 4.806 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.358 4.425 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.733 5.554 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.984 7.005 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.453 7.877 -5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.899 8.235 -4.804 1.00 0.00 H new ATOM 533 N ALA A 32 -1.326 5.398 -7.789 1.00 0.00 N ATOM 534 CA ALA A 32 -1.980 4.381 -8.596 1.00 0.00 C ATOM 535 C ALA A 32 -2.241 4.938 -9.997 1.00 0.00 C ATOM 536 O ALA A 32 -2.221 4.195 -10.977 1.00 0.00 O ATOM 537 CB ALA A 32 -3.265 3.927 -7.901 1.00 0.00 C ATOM 0 H ALA A 32 -1.839 5.674 -6.952 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.340 3.505 -8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.756 3.164 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.023 3.513 -6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.933 4.779 -7.779 1.00 0.00 H new ATOM 543 N ARG A 33 -2.478 6.240 -10.047 1.00 0.00 N ATOM 544 CA ARG A 33 -2.742 6.905 -11.312 1.00 0.00 C ATOM 545 C ARG A 33 -1.431 7.182 -12.050 1.00 0.00 C ATOM 546 O ARG A 33 -1.441 7.584 -13.212 1.00 0.00 O ATOM 547 CB ARG A 33 -3.486 8.224 -11.096 1.00 0.00 C ATOM 548 CG ARG A 33 -4.936 8.121 -11.573 1.00 0.00 C ATOM 549 CD ARG A 33 -5.010 8.095 -13.101 1.00 0.00 C ATOM 550 NE ARG A 33 -6.133 7.236 -13.540 1.00 0.00 N ATOM 551 CZ ARG A 33 -6.662 7.262 -14.770 1.00 0.00 C ATOM 552 NH1 ARG A 33 -6.174 8.103 -15.692 1.00 0.00 N ATOM 553 NH2 ARG A 33 -7.680 6.447 -15.079 1.00 0.00 N ATOM 0 H ARG A 33 -2.493 6.853 -9.232 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.367 6.242 -11.911 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.465 8.488 -10.039 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.978 9.024 -11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.393 7.218 -11.168 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.509 8.966 -11.192 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.144 9.107 -13.484 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.073 7.720 -13.512 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.529 6.583 -12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.399 8.724 -15.457 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.577 8.123 -16.629 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.052 5.807 -14.377 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.083 6.467 -16.016 1.00 0.00 H new ATOM 567 N GLY A 34 -0.332 6.956 -11.344 1.00 0.00 N ATOM 568 CA GLY A 34 0.984 7.176 -11.917 1.00 0.00 C ATOM 569 C GLY A 34 1.473 8.598 -11.638 1.00 0.00 C ATOM 570 O GLY A 34 2.078 9.232 -12.502 1.00 0.00 O ATOM 0 H GLY A 34 -0.327 6.623 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.690 6.457 -11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.949 7.004 -12.993 1.00 0.00 H new ATOM 574 N GLU A 35 1.193 9.059 -10.428 1.00 0.00 N ATOM 575 CA GLU A 35 1.597 10.395 -10.024 1.00 0.00 C ATOM 576 C GLU A 35 2.227 10.361 -8.630 1.00 0.00 C ATOM 577 O GLU A 35 1.626 9.850 -7.686 1.00 0.00 O ATOM 578 CB GLU A 35 0.412 11.362 -10.065 1.00 0.00 C ATOM 579 CG GLU A 35 -0.011 11.649 -11.508 1.00 0.00 C ATOM 580 CD GLU A 35 0.467 13.032 -11.955 1.00 0.00 C ATOM 581 OE1 GLU A 35 1.667 13.137 -12.289 1.00 0.00 O ATOM 582 OE2 GLU A 35 -0.378 13.953 -11.952 1.00 0.00 O ATOM 0 H GLU A 35 0.691 8.531 -9.714 1.00 0.00 H new ATOM 0 HA GLU A 35 2.344 10.756 -10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.427 10.938 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.681 12.294 -9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.400 10.887 -12.170 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.096 11.591 -11.591 1.00 0.00 H new ATOM 589 N ALA A 36 3.430 10.910 -8.546 1.00 0.00 N ATOM 590 CA ALA A 36 4.148 10.948 -7.283 1.00 0.00 C ATOM 591 C ALA A 36 5.589 11.399 -7.534 1.00 0.00 C ATOM 592 O ALA A 36 6.356 10.699 -8.192 1.00 0.00 O ATOM 593 CB ALA A 36 4.076 9.574 -6.613 1.00 0.00 C ATOM 0 H ALA A 36 3.925 11.332 -9.331 1.00 0.00 H new ATOM 0 HA ALA A 36 3.691 11.667 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.615 9.602 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.034 9.313 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.528 8.827 -7.265 1.00 0.00 H new ATOM 599 N ARG A 37 5.911 12.566 -6.997 1.00 0.00 N ATOM 600 CA ARG A 37 7.246 13.119 -7.154 1.00 0.00 C ATOM 601 C ARG A 37 8.196 12.518 -6.116 1.00 0.00 C ATOM 602 O ARG A 37 7.812 11.624 -5.363 1.00 0.00 O ATOM 603 CB ARG A 37 7.233 14.642 -7.002 1.00 0.00 C ATOM 604 CG ARG A 37 6.385 15.065 -5.801 1.00 0.00 C ATOM 605 CD ARG A 37 4.968 15.446 -6.237 1.00 0.00 C ATOM 606 NE ARG A 37 4.858 16.916 -6.372 1.00 0.00 N ATOM 607 CZ ARG A 37 4.866 17.768 -5.338 1.00 0.00 C ATOM 608 NH1 ARG A 37 4.979 17.302 -4.087 1.00 0.00 N ATOM 609 NH2 ARG A 37 4.761 19.086 -5.555 1.00 0.00 N ATOM 0 H ARG A 37 5.271 13.144 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 37 7.592 12.868 -8.157 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.252 15.008 -6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.838 15.098 -7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.340 14.251 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.855 15.911 -5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.729 14.966 -7.186 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.244 15.084 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 37 4.771 17.305 -7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.059 16.299 -3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.985 17.951 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.675 19.441 -6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.767 19.735 -4.768 1.00 0.00 H new ATOM 623 N GLU A 38 9.416 13.033 -6.110 1.00 0.00 N ATOM 624 CA GLU A 38 10.424 12.558 -5.177 1.00 0.00 C ATOM 625 C GLU A 38 10.184 13.153 -3.788 1.00 0.00 C ATOM 626 O GLU A 38 10.917 12.857 -2.846 1.00 0.00 O ATOM 627 CB GLU A 38 11.832 12.884 -5.677 1.00 0.00 C ATOM 628 CG GLU A 38 12.039 12.375 -7.105 1.00 0.00 C ATOM 629 CD GLU A 38 12.983 13.293 -7.883 1.00 0.00 C ATOM 630 OE1 GLU A 38 14.188 13.281 -7.551 1.00 0.00 O ATOM 631 OE2 GLU A 38 12.479 13.986 -8.793 1.00 0.00 O ATOM 0 H GLU A 38 9.730 13.775 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 38 10.342 11.473 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.993 13.962 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.571 12.431 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.448 11.365 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.078 12.317 -7.617 1.00 0.00 H new ATOM 638 N ASP A 39 9.153 13.982 -3.705 1.00 0.00 N ATOM 639 CA ASP A 39 8.807 14.621 -2.447 1.00 0.00 C ATOM 640 C ASP A 39 7.375 14.244 -2.065 1.00 0.00 C ATOM 641 O ASP A 39 6.788 14.847 -1.168 1.00 0.00 O ATOM 642 CB ASP A 39 8.879 16.145 -2.565 1.00 0.00 C ATOM 643 CG ASP A 39 8.826 16.900 -1.236 1.00 0.00 C ATOM 644 OD1 ASP A 39 8.947 16.222 -0.193 1.00 0.00 O ATOM 645 OD2 ASP A 39 8.665 18.139 -1.293 1.00 0.00 O ATOM 0 H ASP A 39 8.547 14.225 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 39 9.517 14.284 -1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.802 16.411 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.055 16.485 -3.192 1.00 0.00 H new ATOM 650 N SER A 40 6.853 13.247 -2.765 1.00 0.00 N ATOM 651 CA SER A 40 5.500 12.782 -2.510 1.00 0.00 C ATOM 652 C SER A 40 5.536 11.491 -1.689 1.00 0.00 C ATOM 653 O SER A 40 6.585 10.860 -1.564 1.00 0.00 O ATOM 654 CB SER A 40 4.739 12.558 -3.818 1.00 0.00 C ATOM 655 OG SER A 40 3.446 12.003 -3.596 1.00 0.00 O ATOM 0 H SER A 40 7.342 12.749 -3.508 1.00 0.00 H new ATOM 0 HA SER A 40 4.975 13.551 -1.943 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.640 13.506 -4.347 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.313 11.892 -4.462 1.00 0.00 H new ATOM 0 HG SER A 40 2.992 11.877 -4.455 1.00 0.00 H new ATOM 661 N ASP A 41 4.378 11.136 -1.152 1.00 0.00 N ATOM 662 CA ASP A 41 4.265 9.932 -0.347 1.00 0.00 C ATOM 663 C ASP A 41 3.563 8.844 -1.161 1.00 0.00 C ATOM 664 O ASP A 41 2.999 9.121 -2.218 1.00 0.00 O ATOM 665 CB ASP A 41 3.436 10.188 0.914 1.00 0.00 C ATOM 666 CG ASP A 41 2.403 11.311 0.791 1.00 0.00 C ATOM 667 OD1 ASP A 41 2.843 12.474 0.664 1.00 0.00 O ATOM 668 OD2 ASP A 41 1.198 10.980 0.828 1.00 0.00 O ATOM 0 H ASP A 41 3.510 11.661 -1.259 1.00 0.00 H new ATOM 0 HA ASP A 41 5.270 9.622 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.919 9.267 1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.113 10.426 1.734 1.00 0.00 H new ATOM 673 N LEU A 42 3.620 7.628 -0.638 1.00 0.00 N ATOM 674 CA LEU A 42 2.997 6.497 -1.303 1.00 0.00 C ATOM 675 C LEU A 42 1.797 6.024 -0.480 1.00 0.00 C ATOM 676 O LEU A 42 1.964 5.472 0.607 1.00 0.00 O ATOM 677 CB LEU A 42 4.028 5.399 -1.573 1.00 0.00 C ATOM 678 CG LEU A 42 3.471 4.061 -2.062 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.803 4.211 -3.430 1.00 0.00 C ATOM 680 CD2 LEU A 42 4.558 2.984 -2.069 1.00 0.00 C ATOM 0 H LEU A 42 4.088 7.402 0.239 1.00 0.00 H new ATOM 0 HA LEU A 42 2.617 6.793 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.736 5.768 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.590 5.223 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 42 2.701 3.736 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.416 3.245 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.983 4.925 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.534 4.570 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.135 2.043 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.368 3.289 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.946 2.852 -1.059 1.00 0.00 H new ATOM 692 N ASP A 43 0.614 6.257 -1.029 1.00 0.00 N ATOM 693 CA ASP A 43 -0.613 5.862 -0.359 1.00 0.00 C ATOM 694 C ASP A 43 -0.993 4.446 -0.794 1.00 0.00 C ATOM 695 O ASP A 43 -1.225 4.196 -1.976 1.00 0.00 O ATOM 696 CB ASP A 43 -1.768 6.796 -0.728 1.00 0.00 C ATOM 697 CG ASP A 43 -1.635 8.227 -0.204 1.00 0.00 C ATOM 698 OD1 ASP A 43 -1.332 8.365 1.001 1.00 0.00 O ATOM 699 OD2 ASP A 43 -1.839 9.152 -1.020 1.00 0.00 O ATOM 0 H ASP A 43 0.479 6.715 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.440 5.910 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.856 6.829 -1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.696 6.370 -0.346 1.00 0.00 H new ATOM 704 N LEU A 44 -1.046 3.554 0.185 1.00 0.00 N ATOM 705 CA LEU A 44 -1.394 2.169 -0.082 1.00 0.00 C ATOM 706 C LEU A 44 -2.506 1.734 0.874 1.00 0.00 C ATOM 707 O LEU A 44 -2.371 1.863 2.090 1.00 0.00 O ATOM 708 CB LEU A 44 -0.148 1.282 -0.020 1.00 0.00 C ATOM 709 CG LEU A 44 0.242 0.582 -1.323 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.551 1.601 -2.422 1.00 0.00 C ATOM 711 CD2 LEU A 44 1.403 -0.389 -1.097 1.00 0.00 C ATOM 0 H LEU A 44 -0.854 3.764 1.164 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.783 2.062 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.693 1.893 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.305 0.522 0.745 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.609 -0.008 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.825 1.077 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.330 2.216 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.378 2.237 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.661 -0.873 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.268 0.159 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.109 -1.145 -0.369 1.00 0.00 H new ATOM 723 N LEU A 45 -3.582 1.228 0.288 1.00 0.00 N ATOM 724 CA LEU A 45 -4.717 0.773 1.073 1.00 0.00 C ATOM 725 C LEU A 45 -4.727 -0.756 1.108 1.00 0.00 C ATOM 726 O LEU A 45 -4.950 -1.403 0.086 1.00 0.00 O ATOM 727 CB LEU A 45 -6.015 1.385 0.541 1.00 0.00 C ATOM 728 CG LEU A 45 -7.307 0.891 1.196 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.853 -0.340 0.470 1.00 0.00 C ATOM 730 CD2 LEU A 45 -7.100 0.631 2.689 1.00 0.00 C ATOM 0 H LEU A 45 -3.691 1.123 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.629 1.115 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.960 2.467 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.075 1.187 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.057 1.677 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.771 -0.671 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.063 -0.086 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.115 -1.141 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.033 0.281 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.329 -0.127 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.790 1.554 3.180 1.00 0.00 H new ATOM 742 N VAL A 46 -4.483 -1.290 2.296 1.00 0.00 N ATOM 743 CA VAL A 46 -4.461 -2.732 2.478 1.00 0.00 C ATOM 744 C VAL A 46 -5.465 -3.119 3.566 1.00 0.00 C ATOM 745 O VAL A 46 -5.795 -2.307 4.429 1.00 0.00 O ATOM 746 CB VAL A 46 -3.037 -3.199 2.785 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.270 -3.506 1.497 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.292 -2.166 3.633 1.00 0.00 C ATOM 0 H VAL A 46 -4.299 -0.750 3.142 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.764 -3.238 1.561 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.105 -4.121 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.261 -3.836 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.784 -4.293 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.218 -2.608 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.282 -2.523 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.241 -1.221 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.821 -2.018 4.574 1.00 0.00 H new ATOM 758 N ALA A 47 -5.922 -4.360 3.489 1.00 0.00 N ATOM 759 CA ALA A 47 -6.882 -4.865 4.456 1.00 0.00 C ATOM 760 C ALA A 47 -6.279 -6.067 5.186 1.00 0.00 C ATOM 761 O ALA A 47 -5.928 -7.066 4.560 1.00 0.00 O ATOM 762 CB ALA A 47 -8.191 -5.213 3.743 1.00 0.00 C ATOM 0 H ALA A 47 -5.645 -5.031 2.772 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.110 -4.105 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.911 -5.592 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.593 -4.320 3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.002 -5.975 2.987 1.00 0.00 H new ATOM 768 N PHE A 48 -6.177 -5.930 6.500 1.00 0.00 N ATOM 769 CA PHE A 48 -5.623 -6.992 7.322 1.00 0.00 C ATOM 770 C PHE A 48 -6.727 -7.914 7.845 1.00 0.00 C ATOM 771 O PHE A 48 -7.686 -7.452 8.461 1.00 0.00 O ATOM 772 CB PHE A 48 -4.929 -6.322 8.510 1.00 0.00 C ATOM 773 CG PHE A 48 -3.740 -5.441 8.120 1.00 0.00 C ATOM 774 CD1 PHE A 48 -2.519 -6.001 7.911 1.00 0.00 C ATOM 775 CD2 PHE A 48 -3.905 -4.098 7.983 1.00 0.00 C ATOM 776 CE1 PHE A 48 -1.415 -5.184 7.550 1.00 0.00 C ATOM 777 CE2 PHE A 48 -2.802 -3.281 7.622 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.580 -3.841 7.413 1.00 0.00 C ATOM 0 H PHE A 48 -6.469 -5.100 7.016 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.932 -7.595 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.657 -5.715 9.048 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.586 -7.093 9.200 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.389 -7.068 8.020 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.875 -3.653 8.149 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.445 -5.629 7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.933 -2.214 7.513 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.741 -3.219 7.138 1.00 0.00 H new ATOM 788 N GLU A 49 -6.554 -9.200 7.580 1.00 0.00 N ATOM 789 CA GLU A 49 -7.524 -10.191 8.016 1.00 0.00 C ATOM 790 C GLU A 49 -7.532 -10.289 9.543 1.00 0.00 C ATOM 791 O GLU A 49 -7.159 -9.340 10.231 1.00 0.00 O ATOM 792 CB GLU A 49 -7.239 -11.553 7.381 1.00 0.00 C ATOM 793 CG GLU A 49 -6.951 -11.411 5.885 1.00 0.00 C ATOM 794 CD GLU A 49 -7.202 -12.730 5.151 1.00 0.00 C ATOM 795 OE1 GLU A 49 -8.393 -13.034 4.921 1.00 0.00 O ATOM 796 OE2 GLU A 49 -6.198 -13.404 4.835 1.00 0.00 O ATOM 0 H GLU A 49 -5.757 -9.579 7.069 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.513 -9.873 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.387 -12.018 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.093 -12.213 7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.582 -10.629 5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.917 -11.100 5.738 1.00 0.00 H new ATOM 803 N GLU A 50 -7.963 -11.444 10.027 1.00 0.00 N ATOM 804 CA GLU A 50 -8.025 -11.679 11.460 1.00 0.00 C ATOM 805 C GLU A 50 -6.703 -12.264 11.960 1.00 0.00 C ATOM 806 O GLU A 50 -6.060 -13.044 11.259 1.00 0.00 O ATOM 807 CB GLU A 50 -9.199 -12.593 11.816 1.00 0.00 C ATOM 808 CG GLU A 50 -10.521 -12.007 11.318 1.00 0.00 C ATOM 809 CD GLU A 50 -11.565 -11.979 12.437 1.00 0.00 C ATOM 810 OE1 GLU A 50 -11.837 -13.069 12.985 1.00 0.00 O ATOM 811 OE2 GLU A 50 -12.066 -10.870 12.718 1.00 0.00 O ATOM 0 H GLU A 50 -8.273 -12.228 9.453 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.188 -10.723 11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.045 -13.578 11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.242 -12.731 12.896 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.357 -10.997 10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.894 -12.600 10.483 1.00 0.00 H new ATOM 818 N GLY A 51 -6.336 -11.865 13.169 1.00 0.00 N ATOM 819 CA GLY A 51 -5.102 -12.340 13.771 1.00 0.00 C ATOM 820 C GLY A 51 -3.957 -11.355 13.525 1.00 0.00 C ATOM 821 O GLY A 51 -2.976 -11.339 14.267 1.00 0.00 O ATOM 0 H GLY A 51 -6.872 -11.218 13.748 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.245 -12.476 14.843 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.843 -13.315 13.357 1.00 0.00 H new ATOM 825 N ARG A 52 -4.119 -10.558 12.479 1.00 0.00 N ATOM 826 CA ARG A 52 -3.111 -9.573 12.125 1.00 0.00 C ATOM 827 C ARG A 52 -3.194 -8.368 13.065 1.00 0.00 C ATOM 828 O ARG A 52 -4.273 -7.819 13.282 1.00 0.00 O ATOM 829 CB ARG A 52 -3.288 -9.099 10.681 1.00 0.00 C ATOM 830 CG ARG A 52 -3.525 -10.282 9.741 1.00 0.00 C ATOM 831 CD ARG A 52 -2.488 -11.383 9.972 1.00 0.00 C ATOM 832 NE ARG A 52 -3.104 -12.512 10.705 1.00 0.00 N ATOM 833 CZ ARG A 52 -2.409 -13.497 11.289 1.00 0.00 C ATOM 834 NH1 ARG A 52 -1.070 -13.498 11.230 1.00 0.00 N ATOM 835 NH2 ARG A 52 -3.052 -14.481 11.932 1.00 0.00 N ATOM 0 H ARG A 52 -4.933 -10.574 11.865 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.134 -10.047 12.222 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.129 -8.409 10.622 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.402 -8.550 10.364 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.527 -10.682 9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.477 -9.944 8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.095 -11.730 9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.645 -10.987 10.539 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.122 -12.542 10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.581 -12.749 10.741 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.540 -14.248 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.071 -14.480 11.977 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.522 -15.231 12.377 1.00 0.00 H new ATOM 849 N THR A 53 -2.040 -7.992 13.596 1.00 0.00 N ATOM 850 CA THR A 53 -1.968 -6.862 14.507 1.00 0.00 C ATOM 851 C THR A 53 -1.079 -5.762 13.923 1.00 0.00 C ATOM 852 O THR A 53 -0.456 -5.951 12.880 1.00 0.00 O ATOM 853 CB THR A 53 -1.485 -7.378 15.863 1.00 0.00 C ATOM 854 OG1 THR A 53 -0.466 -8.318 15.534 1.00 0.00 O ATOM 855 CG2 THR A 53 -2.546 -8.215 16.583 1.00 0.00 C ATOM 0 H THR A 53 -1.147 -8.450 13.413 1.00 0.00 H new ATOM 0 HA THR A 53 -2.947 -6.404 14.648 1.00 0.00 H new ATOM 0 HB THR A 53 -1.200 -6.534 16.492 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.096 -8.701 16.357 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.152 -8.557 17.540 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.435 -7.608 16.752 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.807 -9.077 15.970 1.00 0.00 H new ATOM 863 N LEU A 54 -1.048 -4.637 14.623 1.00 0.00 N ATOM 864 CA LEU A 54 -0.245 -3.507 14.187 1.00 0.00 C ATOM 865 C LEU A 54 1.207 -3.956 14.013 1.00 0.00 C ATOM 866 O LEU A 54 1.945 -3.386 13.210 1.00 0.00 O ATOM 867 CB LEU A 54 -0.414 -2.329 15.148 1.00 0.00 C ATOM 868 CG LEU A 54 -1.372 -1.225 14.694 1.00 0.00 C ATOM 869 CD1 LEU A 54 -0.831 -0.502 13.460 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.778 -1.782 14.461 1.00 0.00 C ATOM 0 H LEU A 54 -1.566 -4.484 15.488 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.586 -3.148 13.216 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.763 -2.714 16.106 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.566 -1.884 15.322 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.445 -0.487 15.493 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.531 0.277 13.159 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.133 -0.052 13.696 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.709 -1.215 12.645 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.439 -0.978 14.139 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.741 -2.552 13.690 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.156 -2.214 15.387 1.00 0.00 H new ATOM 882 N LEU A 55 1.575 -4.973 14.779 1.00 0.00 N ATOM 883 CA LEU A 55 2.926 -5.504 14.720 1.00 0.00 C ATOM 884 C LEU A 55 3.263 -5.868 13.272 1.00 0.00 C ATOM 885 O LEU A 55 4.362 -5.584 12.797 1.00 0.00 O ATOM 886 CB LEU A 55 3.087 -6.669 15.699 1.00 0.00 C ATOM 887 CG LEU A 55 4.502 -6.909 16.228 1.00 0.00 C ATOM 888 CD1 LEU A 55 5.445 -7.331 15.099 1.00 0.00 C ATOM 889 CD2 LEU A 55 5.022 -5.683 16.981 1.00 0.00 C ATOM 0 H LEU A 55 0.961 -5.443 15.444 1.00 0.00 H new ATOM 0 HA LEU A 55 3.646 -4.749 15.036 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.427 -6.497 16.549 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.744 -7.580 15.208 1.00 0.00 H new ATOM 0 HG LEU A 55 4.465 -7.732 16.941 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.444 -7.495 15.502 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.080 -8.253 14.646 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.483 -6.546 14.344 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.030 -5.881 17.346 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.041 -4.825 16.309 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.366 -5.469 17.825 1.00 0.00 H new ATOM 901 N ASP A 56 2.298 -6.490 12.611 1.00 0.00 N ATOM 902 CA ASP A 56 2.479 -6.894 11.227 1.00 0.00 C ATOM 903 C ASP A 56 2.490 -5.652 10.335 1.00 0.00 C ATOM 904 O ASP A 56 3.228 -5.596 9.352 1.00 0.00 O ATOM 905 CB ASP A 56 1.335 -7.799 10.764 1.00 0.00 C ATOM 906 CG ASP A 56 1.354 -9.214 11.345 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.469 -9.771 11.447 1.00 0.00 O ATOM 908 OD2 ASP A 56 0.254 -9.707 11.675 1.00 0.00 O ATOM 0 H ASP A 56 1.388 -6.724 13.008 1.00 0.00 H new ATOM 0 HA ASP A 56 3.421 -7.437 11.154 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.389 -7.327 11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.364 -7.869 9.677 1.00 0.00 H new ATOM 913 N HIS A 57 1.664 -4.686 10.709 1.00 0.00 N ATOM 914 CA HIS A 57 1.570 -3.448 9.954 1.00 0.00 C ATOM 915 C HIS A 57 2.932 -2.751 9.938 1.00 0.00 C ATOM 916 O HIS A 57 3.439 -2.394 8.876 1.00 0.00 O ATOM 917 CB HIS A 57 0.455 -2.558 10.507 1.00 0.00 C ATOM 918 CG HIS A 57 -0.908 -3.206 10.502 1.00 0.00 C ATOM 919 ND1 HIS A 57 -1.270 -4.521 10.539 1.00 0.00 N flip ATOM 920 CD2 HIS A 57 -2.084 -2.479 10.454 1.00 0.00 C flip ATOM 921 CE1 HIS A 57 -2.595 -4.592 10.515 1.00 0.00 C flip ATOM 922 NE2 HIS A 57 -3.102 -3.327 10.462 1.00 0.00 N flip ATOM 0 H HIS A 57 1.054 -4.736 11.525 1.00 0.00 H new ATOM 0 HA HIS A 57 1.302 -3.668 8.921 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.706 -2.272 11.528 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.412 -1.641 9.920 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.160 -1.402 10.416 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.176 -5.502 10.534 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.091 -3.078 10.434 1.00 0.00 H new ATOM 930 N ALA A 58 3.487 -2.579 11.129 1.00 0.00 N ATOM 931 CA ALA A 58 4.780 -1.932 11.266 1.00 0.00 C ATOM 932 C ALA A 58 5.832 -2.736 10.498 1.00 0.00 C ATOM 933 O ALA A 58 6.693 -2.163 9.833 1.00 0.00 O ATOM 934 CB ALA A 58 5.125 -1.788 12.750 1.00 0.00 C ATOM 0 H ALA A 58 3.064 -2.877 12.008 1.00 0.00 H new ATOM 0 HA ALA A 58 4.754 -0.930 10.839 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.095 -1.302 12.852 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.363 -1.185 13.244 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.162 -2.774 13.212 1.00 0.00 H new ATOM 940 N ARG A 59 5.727 -4.052 10.616 1.00 0.00 N ATOM 941 CA ARG A 59 6.657 -4.940 9.941 1.00 0.00 C ATOM 942 C ARG A 59 6.524 -4.795 8.424 1.00 0.00 C ATOM 943 O ARG A 59 7.521 -4.829 7.704 1.00 0.00 O ATOM 944 CB ARG A 59 6.408 -6.398 10.331 1.00 0.00 C ATOM 945 CG ARG A 59 6.848 -6.663 11.772 1.00 0.00 C ATOM 946 CD ARG A 59 8.309 -7.112 11.826 1.00 0.00 C ATOM 947 NE ARG A 59 8.750 -7.234 13.234 1.00 0.00 N ATOM 948 CZ ARG A 59 9.233 -6.216 13.960 1.00 0.00 C ATOM 949 NH1 ARG A 59 9.341 -4.997 13.416 1.00 0.00 N ATOM 950 NH2 ARG A 59 9.609 -6.419 15.230 1.00 0.00 N ATOM 0 H ARG A 59 5.012 -4.524 11.169 1.00 0.00 H new ATOM 0 HA ARG A 59 7.665 -4.661 10.249 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.349 -6.632 10.222 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.951 -7.057 9.654 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.720 -5.759 12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.212 -7.429 12.215 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.423 -8.069 11.317 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.938 -6.394 11.300 1.00 0.00 H new ATOM 0 HE ARG A 59 8.682 -8.149 13.679 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.056 -4.843 12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.709 -4.223 13.969 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.528 -7.348 15.644 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.977 -5.645 15.783 1.00 0.00 H new ATOM 964 N LEU A 60 5.285 -4.637 7.983 1.00 0.00 N ATOM 965 CA LEU A 60 5.009 -4.487 6.564 1.00 0.00 C ATOM 966 C LEU A 60 5.414 -3.082 6.116 1.00 0.00 C ATOM 967 O LEU A 60 6.010 -2.913 5.054 1.00 0.00 O ATOM 968 CB LEU A 60 3.549 -4.832 6.263 1.00 0.00 C ATOM 969 CG LEU A 60 3.305 -5.690 5.020 1.00 0.00 C ATOM 970 CD1 LEU A 60 1.930 -5.401 4.416 1.00 0.00 C ATOM 971 CD2 LEU A 60 4.430 -5.509 3.999 1.00 0.00 C ATOM 0 H LEU A 60 4.461 -4.610 8.583 1.00 0.00 H new ATOM 0 HA LEU A 60 5.605 -5.191 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.134 -5.352 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.992 -3.902 6.153 1.00 0.00 H new ATOM 0 HG LEU A 60 3.310 -6.737 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.782 -6.024 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.156 -5.623 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.871 -4.350 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.232 -6.130 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.482 -4.463 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.379 -5.805 4.447 1.00 0.00 H new ATOM 983 N LYS A 61 5.073 -2.109 6.948 1.00 0.00 N ATOM 984 CA LYS A 61 5.393 -0.723 6.651 1.00 0.00 C ATOM 985 C LYS A 61 6.913 -0.561 6.573 1.00 0.00 C ATOM 986 O LYS A 61 7.421 0.146 5.704 1.00 0.00 O ATOM 987 CB LYS A 61 4.727 0.210 7.664 1.00 0.00 C ATOM 988 CG LYS A 61 5.718 0.641 8.747 1.00 0.00 C ATOM 989 CD LYS A 61 6.558 1.832 8.280 1.00 0.00 C ATOM 990 CE LYS A 61 7.194 2.554 9.469 1.00 0.00 C ATOM 991 NZ LYS A 61 6.488 3.826 9.741 1.00 0.00 N ATOM 0 H LYS A 61 4.578 -2.253 7.828 1.00 0.00 H new ATOM 0 HA LYS A 61 4.991 -0.439 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.337 1.090 7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.877 -0.294 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.177 0.907 9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.372 -0.194 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.337 1.488 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.931 2.527 7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.158 1.915 10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.246 2.752 9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.932 4.303 10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.544 4.440 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.490 3.629 9.960 1.00 0.00 H new ATOM 1005 N LEU A 62 7.595 -1.228 7.492 1.00 0.00 N ATOM 1006 CA LEU A 62 9.046 -1.166 7.538 1.00 0.00 C ATOM 1007 C LEU A 62 9.624 -1.990 6.385 1.00 0.00 C ATOM 1008 O LEU A 62 10.629 -1.609 5.787 1.00 0.00 O ATOM 1009 CB LEU A 62 9.557 -1.593 8.915 1.00 0.00 C ATOM 1010 CG LEU A 62 9.928 -3.070 9.065 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.171 -3.410 8.241 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.096 -3.446 10.538 1.00 0.00 C ATOM 0 H LEU A 62 7.170 -1.814 8.211 1.00 0.00 H new ATOM 0 HA LEU A 62 9.388 -0.140 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.434 -0.992 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.793 -1.354 9.654 1.00 0.00 H new ATOM 0 HG LEU A 62 9.107 -3.670 8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.413 -4.466 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.977 -3.204 7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.010 -2.803 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.359 -4.501 10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.887 -2.840 10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.161 -3.265 11.069 1.00 0.00 H new ATOM 1024 N ALA A 63 8.964 -3.105 6.108 1.00 0.00 N ATOM 1025 CA ALA A 63 9.399 -3.986 5.038 1.00 0.00 C ATOM 1026 C ALA A 63 9.193 -3.287 3.692 1.00 0.00 C ATOM 1027 O ALA A 63 9.998 -3.447 2.776 1.00 0.00 O ATOM 1028 CB ALA A 63 8.641 -5.312 5.128 1.00 0.00 C ATOM 0 H ALA A 63 8.131 -3.418 6.606 1.00 0.00 H new ATOM 0 HA ALA A 63 10.461 -4.211 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.967 -5.973 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.844 -5.782 6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.571 -5.127 5.033 1.00 0.00 H new ATOM 1034 N LEU A 64 8.110 -2.528 3.616 1.00 0.00 N ATOM 1035 CA LEU A 64 7.788 -1.804 2.397 1.00 0.00 C ATOM 1036 C LEU A 64 8.833 -0.710 2.168 1.00 0.00 C ATOM 1037 O LEU A 64 9.335 -0.550 1.057 1.00 0.00 O ATOM 1038 CB LEU A 64 6.351 -1.281 2.449 1.00 0.00 C ATOM 1039 CG LEU A 64 5.249 -2.336 2.334 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.165 -1.892 1.349 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.833 -3.702 1.966 1.00 0.00 C ATOM 0 H LEU A 64 7.444 -2.398 4.378 1.00 0.00 H new ATOM 0 HA LEU A 64 7.829 -2.470 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.215 -0.743 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.219 -0.557 1.644 1.00 0.00 H new ATOM 0 HG LEU A 64 4.774 -2.441 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.394 -2.660 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.720 -0.959 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.608 -1.741 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.028 -4.433 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.350 -3.631 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.538 -4.016 2.736 1.00 0.00 H new ATOM 1053 N GLU A 65 9.129 0.014 3.237 1.00 0.00 N ATOM 1054 CA GLU A 65 10.105 1.088 3.167 1.00 0.00 C ATOM 1055 C GLU A 65 11.489 0.527 2.835 1.00 0.00 C ATOM 1056 O GLU A 65 12.291 1.190 2.179 1.00 0.00 O ATOM 1057 CB GLU A 65 10.136 1.888 4.471 1.00 0.00 C ATOM 1058 CG GLU A 65 8.984 2.893 4.525 1.00 0.00 C ATOM 1059 CD GLU A 65 9.314 4.055 5.464 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.508 4.181 5.813 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.366 4.792 5.811 1.00 0.00 O ATOM 0 H GLU A 65 8.710 -0.122 4.157 1.00 0.00 H new ATOM 0 HA GLU A 65 9.809 1.769 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.070 1.208 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.087 2.414 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.783 3.275 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.076 2.393 4.864 1.00 0.00 H new ATOM 1068 N GLY A 66 11.727 -0.690 3.303 1.00 0.00 N ATOM 1069 CA GLY A 66 13.000 -1.348 3.064 1.00 0.00 C ATOM 1070 C GLY A 66 13.113 -1.812 1.611 1.00 0.00 C ATOM 1071 O GLY A 66 14.105 -1.530 0.941 1.00 0.00 O ATOM 0 H GLY A 66 11.059 -1.237 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.816 -0.664 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.102 -2.203 3.732 1.00 0.00 H new ATOM 1075 N LEU A 67 12.083 -2.516 1.166 1.00 0.00 N ATOM 1076 CA LEU A 67 12.054 -3.023 -0.195 1.00 0.00 C ATOM 1077 C LEU A 67 12.026 -1.845 -1.172 1.00 0.00 C ATOM 1078 O LEU A 67 12.752 -1.841 -2.166 1.00 0.00 O ATOM 1079 CB LEU A 67 10.892 -4.001 -0.379 1.00 0.00 C ATOM 1080 CG LEU A 67 11.251 -5.364 -0.975 1.00 0.00 C ATOM 1081 CD1 LEU A 67 11.485 -6.400 0.127 1.00 0.00 C ATOM 1082 CD2 LEU A 67 10.188 -5.822 -1.976 1.00 0.00 C ATOM 0 H LEU A 67 11.262 -2.747 1.725 1.00 0.00 H new ATOM 0 HA LEU A 67 12.958 -3.594 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.422 -4.163 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.146 -3.531 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 67 12.187 -5.261 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.738 -7.360 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.304 -6.072 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.579 -6.507 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.467 -6.793 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.225 -5.904 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.113 -5.096 -2.785 1.00 0.00 H new ATOM 1094 N LEU A 68 11.181 -0.875 -0.856 1.00 0.00 N ATOM 1095 CA LEU A 68 11.049 0.305 -1.693 1.00 0.00 C ATOM 1096 C LEU A 68 12.161 1.298 -1.347 1.00 0.00 C ATOM 1097 O LEU A 68 12.396 2.254 -2.084 1.00 0.00 O ATOM 1098 CB LEU A 68 9.642 0.892 -1.573 1.00 0.00 C ATOM 1099 CG LEU A 68 8.525 0.103 -2.259 1.00 0.00 C ATOM 1100 CD1 LEU A 68 8.327 -1.259 -1.591 1.00 0.00 C ATOM 1101 CD2 LEU A 68 7.228 0.913 -2.303 1.00 0.00 C ATOM 0 H LEU A 68 10.581 -0.882 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 68 11.171 0.042 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.397 0.984 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.654 1.900 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 68 8.823 -0.084 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.528 -1.800 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.251 -1.834 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.061 -1.115 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.451 0.329 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.913 1.152 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.394 1.836 -2.858 1.00 0.00 H new ATOM 1113 N GLY A 69 12.816 1.036 -0.225 1.00 0.00 N ATOM 1114 CA GLY A 69 13.898 1.894 0.227 1.00 0.00 C ATOM 1115 C GLY A 69 13.455 3.358 0.269 1.00 0.00 C ATOM 1116 O GLY A 69 14.288 4.263 0.264 1.00 0.00 O ATOM 0 H GLY A 69 12.618 0.242 0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.226 1.581 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.754 1.788 -0.440 1.00 0.00 H new ATOM 1120 N VAL A 70 12.144 3.546 0.310 1.00 0.00 N ATOM 1121 CA VAL A 70 11.581 4.884 0.353 1.00 0.00 C ATOM 1122 C VAL A 70 10.342 4.883 1.252 1.00 0.00 C ATOM 1123 O VAL A 70 9.681 3.857 1.403 1.00 0.00 O ATOM 1124 CB VAL A 70 11.289 5.375 -1.066 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.543 5.304 -1.940 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.138 4.585 -1.694 1.00 0.00 C ATOM 0 H VAL A 70 11.456 2.793 0.314 1.00 0.00 H new ATOM 0 HA VAL A 70 12.296 5.585 0.785 1.00 0.00 H new ATOM 0 HB VAL A 70 10.983 6.419 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.308 5.659 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.324 5.930 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.892 4.273 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.951 4.954 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.403 3.529 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.239 4.709 -1.090 1.00 0.00 H new ATOM 1136 N ARG A 71 10.065 6.045 1.825 1.00 0.00 N ATOM 1137 CA ARG A 71 8.918 6.191 2.705 1.00 0.00 C ATOM 1138 C ARG A 71 7.682 5.544 2.077 1.00 0.00 C ATOM 1139 O ARG A 71 7.395 5.758 0.900 1.00 0.00 O ATOM 1140 CB ARG A 71 8.625 7.666 2.988 1.00 0.00 C ATOM 1141 CG ARG A 71 9.808 8.334 3.692 1.00 0.00 C ATOM 1142 CD ARG A 71 9.373 9.627 4.385 1.00 0.00 C ATOM 1143 NE ARG A 71 9.850 9.635 5.786 1.00 0.00 N ATOM 1144 CZ ARG A 71 9.747 10.688 6.609 1.00 0.00 C ATOM 1145 NH1 ARG A 71 9.185 11.824 6.175 1.00 0.00 N ATOM 1146 NH2 ARG A 71 10.208 10.604 7.864 1.00 0.00 N ATOM 0 H ARG A 71 10.615 6.894 1.697 1.00 0.00 H new ATOM 0 HA ARG A 71 9.155 5.693 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.414 8.185 2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.733 7.751 3.608 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.233 7.649 4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.592 8.552 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.774 10.488 3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.287 9.714 4.361 1.00 0.00 H new ATOM 0 HE ARG A 71 10.284 8.786 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.836 11.887 5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.106 12.626 6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.637 9.739 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.130 11.405 8.491 1.00 0.00 H new ATOM 1160 N VAL A 72 6.983 4.765 2.890 1.00 0.00 N ATOM 1161 CA VAL A 72 5.785 4.085 2.428 1.00 0.00 C ATOM 1162 C VAL A 72 4.674 4.260 3.466 1.00 0.00 C ATOM 1163 O VAL A 72 4.860 3.942 4.639 1.00 0.00 O ATOM 1164 CB VAL A 72 6.098 2.618 2.129 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.821 1.840 1.804 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.118 2.496 0.995 1.00 0.00 C ATOM 0 H VAL A 72 7.224 4.590 3.866 1.00 0.00 H new ATOM 0 HA VAL A 72 5.432 4.524 1.495 1.00 0.00 H new ATOM 0 HB VAL A 72 6.538 2.180 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.072 0.800 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.141 1.886 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.340 2.279 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.323 1.443 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.717 2.959 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.042 2.999 1.281 1.00 0.00 H new ATOM 1176 N ASP A 73 3.542 4.764 2.995 1.00 0.00 N ATOM 1177 CA ASP A 73 2.401 4.984 3.867 1.00 0.00 C ATOM 1178 C ASP A 73 1.351 3.902 3.610 1.00 0.00 C ATOM 1179 O ASP A 73 0.825 3.793 2.503 1.00 0.00 O ATOM 1180 CB ASP A 73 1.755 6.344 3.596 1.00 0.00 C ATOM 1181 CG ASP A 73 0.497 6.637 4.415 1.00 0.00 C ATOM 1182 OD1 ASP A 73 0.127 5.757 5.221 1.00 0.00 O ATOM 1183 OD2 ASP A 73 -0.067 7.735 4.217 1.00 0.00 O ATOM 0 H ASP A 73 3.391 5.026 2.021 1.00 0.00 H new ATOM 0 HA ASP A 73 2.754 4.951 4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.490 7.124 3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.503 6.405 2.537 1.00 0.00 H new ATOM 1188 N ILE A 74 1.078 3.128 4.650 1.00 0.00 N ATOM 1189 CA ILE A 74 0.100 2.058 4.550 1.00 0.00 C ATOM 1190 C ILE A 74 -1.163 2.453 5.318 1.00 0.00 C ATOM 1191 O ILE A 74 -1.082 3.102 6.360 1.00 0.00 O ATOM 1192 CB ILE A 74 0.709 0.731 5.010 1.00 0.00 C ATOM 1193 CG1 ILE A 74 1.932 0.368 4.165 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.340 -0.383 5.009 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.623 -0.884 4.710 1.00 0.00 C ATOM 0 H ILE A 74 1.517 3.220 5.566 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.193 1.906 3.511 1.00 0.00 H new ATOM 0 HB ILE A 74 1.051 0.850 6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.628 0.199 3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.634 1.202 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.119 -1.315 5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.153 -0.118 5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.734 -0.510 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.489 -1.120 4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.948 -0.704 5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.925 -1.721 4.693 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.300 2.045 4.774 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.578 2.349 5.395 1.00 0.00 C ATOM 1209 C VAL A 75 -4.405 1.066 5.502 1.00 0.00 C ATOM 1210 O VAL A 75 -4.318 0.193 4.640 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.289 3.456 4.615 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.776 3.510 4.972 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.619 4.811 4.851 1.00 0.00 C ATOM 0 H VAL A 75 -2.363 1.506 3.910 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.431 2.727 6.407 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.207 3.223 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.258 4.305 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.243 2.556 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.887 3.707 6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.144 5.580 4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.654 5.054 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.580 4.765 4.524 1.00 0.00 H new ATOM 1223 N SER A 76 -5.190 0.994 6.567 1.00 0.00 N ATOM 1224 CA SER A 76 -6.033 -0.168 6.798 1.00 0.00 C ATOM 1225 C SER A 76 -7.491 0.174 6.488 1.00 0.00 C ATOM 1226 O SER A 76 -8.024 1.158 7.000 1.00 0.00 O ATOM 1227 CB SER A 76 -5.899 -0.668 8.238 1.00 0.00 C ATOM 1228 OG SER A 76 -5.817 0.406 9.171 1.00 0.00 O ATOM 0 H SER A 76 -5.260 1.721 7.279 1.00 0.00 H new ATOM 0 HA SER A 76 -5.705 -0.967 6.133 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.754 -1.297 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.009 -1.291 8.324 1.00 0.00 H new ATOM 0 HG SER A 76 -5.734 0.045 10.078 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.096 -0.656 5.651 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.482 -0.454 5.267 1.00 0.00 C ATOM 1236 C GLU A 77 -10.342 -0.185 6.504 1.00 0.00 C ATOM 1237 O GLU A 77 -11.264 0.628 6.459 1.00 0.00 O ATOM 1238 CB GLU A 77 -10.014 -1.654 4.481 1.00 0.00 C ATOM 1239 CG GLU A 77 -10.041 -1.357 2.980 1.00 0.00 C ATOM 1240 CD GLU A 77 -10.745 -2.478 2.212 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -10.658 -3.631 2.685 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -11.354 -2.155 1.169 1.00 0.00 O ATOM 0 H GLU A 77 -7.651 -1.470 5.228 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.534 0.418 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.387 -2.525 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.018 -1.902 4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.554 -0.412 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.022 -1.242 2.610 1.00 0.00 H new ATOM 1249 N ARG A 78 -10.009 -0.883 7.580 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.739 -0.730 8.827 1.00 0.00 C ATOM 1251 C ARG A 78 -10.676 0.723 9.303 1.00 0.00 C ATOM 1252 O ARG A 78 -11.663 1.452 9.216 1.00 0.00 O ATOM 1253 CB ARG A 78 -10.169 -1.642 9.915 1.00 0.00 C ATOM 1254 CG ARG A 78 -11.271 -2.486 10.557 1.00 0.00 C ATOM 1255 CD ARG A 78 -10.782 -3.131 11.855 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.723 -4.193 12.278 1.00 0.00 N ATOM 1257 CZ ARG A 78 -11.828 -5.386 11.678 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -11.051 -5.677 10.625 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -12.709 -6.288 12.130 1.00 0.00 N ATOM 0 H ARG A 78 -9.243 -1.556 7.614 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.776 -1.011 8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.410 -2.295 9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.677 -1.039 10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.140 -1.861 10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.593 -3.260 9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.787 -3.552 11.709 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.697 -2.376 12.637 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.329 -4.004 13.076 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.380 -4.990 10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.131 -6.585 10.168 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.300 -6.066 12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.789 -7.196 11.673 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.506 1.100 9.797 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.302 2.452 10.288 1.00 0.00 C ATOM 1275 C GLY A 79 -9.834 3.483 9.290 1.00 0.00 C ATOM 1276 O GLY A 79 -10.229 4.582 9.679 1.00 0.00 O ATOM 0 H GLY A 79 -8.690 0.493 9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.806 2.575 11.247 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.240 2.623 10.462 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.827 3.093 8.024 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.304 3.970 6.968 1.00 0.00 C ATOM 1282 C LEU A 80 -11.733 4.414 7.286 1.00 0.00 C ATOM 1283 O LEU A 80 -12.266 4.089 8.346 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.159 3.294 5.604 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.094 3.880 4.674 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.029 3.104 3.357 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.327 5.375 4.448 1.00 0.00 C ATOM 0 H LEU A 80 -9.499 2.181 7.705 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.694 4.872 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.932 2.240 5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.122 3.338 5.095 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.123 3.775 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.264 3.541 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.780 2.062 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.996 3.155 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.557 5.767 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.307 5.526 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.283 5.899 5.403 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.313 5.148 6.349 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.670 5.639 6.515 1.00 0.00 C ATOM 1301 C ALA A 81 -14.592 4.927 5.523 1.00 0.00 C ATOM 1302 O ALA A 81 -14.121 4.247 4.612 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.689 7.159 6.340 1.00 0.00 C ATOM 0 H ALA A 81 -11.868 5.415 5.471 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.035 5.422 7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.707 7.527 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.043 7.619 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.330 7.415 5.343 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.922 5.111 5.739 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.913 4.494 4.875 1.00 0.00 C ATOM 1311 C PRO A 82 -16.995 5.219 3.530 1.00 0.00 C ATOM 1312 O PRO A 82 -17.048 4.582 2.479 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.212 4.552 5.661 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.003 5.609 6.734 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.515 5.909 6.808 1.00 0.00 C ATOM 0 HA PRO A 82 -16.664 3.464 4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.049 4.813 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.443 3.584 6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.563 6.513 6.494 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.369 5.253 7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.318 6.971 6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.104 5.637 7.780 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.004 6.542 3.607 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.080 7.361 2.409 1.00 0.00 C ATOM 1325 C ARG A 83 -15.711 7.435 1.730 1.00 0.00 C ATOM 1326 O ARG A 83 -15.624 7.664 0.524 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.555 8.777 2.739 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.487 9.546 3.520 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.093 10.235 4.744 1.00 0.00 C ATOM 1330 NE ARG A 83 -16.367 11.493 5.028 1.00 0.00 N ATOM 1331 CZ ARG A 83 -16.709 12.356 5.995 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -17.767 12.102 6.776 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -15.992 13.473 6.180 1.00 0.00 N ATOM 0 H ARG A 83 -16.960 7.067 4.480 1.00 0.00 H new ATOM 0 HA ARG A 83 -17.800 6.897 1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -17.790 9.309 1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.474 8.729 3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.699 8.862 3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.023 10.290 2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.148 10.446 4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.041 9.572 5.608 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.556 11.717 4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.313 11.252 6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.027 12.759 7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.186 13.666 5.585 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.252 14.130 6.916 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.676 7.236 2.533 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.315 7.278 2.024 1.00 0.00 C ATOM 1349 C LEU A 84 -12.959 5.917 1.421 1.00 0.00 C ATOM 1350 O LEU A 84 -12.443 5.844 0.307 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.348 7.738 3.117 1.00 0.00 C ATOM 1352 CG LEU A 84 -11.612 9.052 2.851 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -12.583 10.234 2.846 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -10.470 9.252 3.849 1.00 0.00 C ATOM 0 H LEU A 84 -14.752 7.045 3.532 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.230 8.014 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.905 7.839 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.607 6.954 3.272 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.166 8.999 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.033 11.156 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -13.330 10.088 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.079 10.302 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.963 10.194 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.872 9.275 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.760 8.430 3.759 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.250 4.873 2.184 1.00 0.00 N ATOM 1367 CA ARG A 85 -12.967 3.520 1.738 1.00 0.00 C ATOM 1368 C ARG A 85 -13.577 3.277 0.357 1.00 0.00 C ATOM 1369 O ARG A 85 -12.894 2.812 -0.555 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.523 2.489 2.723 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.291 1.064 2.214 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.309 0.094 2.818 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.405 -1.123 1.982 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.334 -2.075 2.146 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.252 -1.956 3.115 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -15.345 -3.146 1.340 1.00 0.00 N ATOM 0 H ARG A 85 -13.679 4.937 3.107 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.884 3.408 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.045 2.614 3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.590 2.658 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.366 1.045 1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.281 0.743 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.012 -0.174 3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.285 0.575 2.888 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.722 -1.245 1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.244 -1.141 3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.959 -2.681 3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -14.646 -3.236 0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.052 -3.871 1.465 1.00 0.00 H new ATOM 1390 N GLU A 86 -14.857 3.601 0.245 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.567 3.424 -1.010 1.00 0.00 C ATOM 1392 C GLU A 86 -14.838 4.154 -2.140 1.00 0.00 C ATOM 1393 O GLU A 86 -14.700 3.622 -3.241 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.015 3.903 -0.893 1.00 0.00 C ATOM 1395 CG GLU A 86 -17.839 2.951 -0.024 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.325 3.313 -0.070 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.904 3.199 -1.172 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -19.848 3.697 0.998 1.00 0.00 O ATOM 0 H GLU A 86 -15.421 3.985 1.003 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.589 2.360 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.037 4.904 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.460 3.972 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.700 1.926 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.483 2.992 1.005 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.390 5.362 -1.829 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.678 6.170 -2.805 1.00 0.00 C ATOM 1407 C GLN A 87 -12.278 5.601 -3.045 1.00 0.00 C ATOM 1408 O GLN A 87 -11.778 5.628 -4.169 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.608 7.632 -2.359 1.00 0.00 C ATOM 1410 CG GLN A 87 -13.120 8.529 -3.498 1.00 0.00 C ATOM 1411 CD GLN A 87 -13.342 10.006 -3.166 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.415 10.423 -2.759 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -12.272 10.772 -3.361 1.00 0.00 N ATOM 0 H GLN A 87 -14.506 5.800 -0.915 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.227 6.138 -3.746 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.592 7.962 -2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.936 7.724 -1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.060 8.349 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.648 8.276 -4.417 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.405 10.359 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.319 11.772 -3.168 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.686 5.100 -1.972 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.353 4.526 -2.052 1.00 0.00 C ATOM 1424 C VAL A 88 -10.376 3.324 -2.998 1.00 0.00 C ATOM 1425 O VAL A 88 -9.485 3.168 -3.831 1.00 0.00 O ATOM 1426 CB VAL A 88 -9.850 4.175 -0.650 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.444 3.573 -0.708 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -9.886 5.398 0.268 1.00 0.00 C ATOM 0 H VAL A 88 -12.104 5.079 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.649 5.249 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.520 3.424 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.109 3.332 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.462 2.665 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.758 4.292 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.523 5.121 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.251 6.182 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.910 5.764 0.346 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.406 2.505 -2.838 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.557 1.322 -3.667 1.00 0.00 C ATOM 1440 C LEU A 89 -11.564 1.735 -5.140 1.00 0.00 C ATOM 1441 O LEU A 89 -10.872 1.134 -5.961 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.793 0.526 -3.245 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.833 0.073 -1.784 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.272 0.003 -1.271 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -12.094 -1.255 -1.602 1.00 0.00 C ATOM 0 H LEU A 89 -12.144 2.638 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.711 0.649 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.676 1.134 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.867 -0.357 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.312 0.817 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.272 -0.321 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.733 0.988 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.839 -0.708 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.137 -1.555 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.565 -2.021 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.053 -1.136 -1.903 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.355 2.757 -5.431 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.462 3.257 -6.791 1.00 0.00 C ATOM 1459 C ARG A 90 -11.075 3.583 -7.348 1.00 0.00 C ATOM 1460 O ARG A 90 -10.877 3.601 -8.562 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.336 4.512 -6.850 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.809 4.147 -7.039 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.721 5.228 -6.456 1.00 0.00 C ATOM 1464 NE ARG A 90 -17.130 4.776 -6.493 1.00 0.00 N ATOM 1465 CZ ARG A 90 -18.171 5.528 -6.111 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -17.968 6.774 -5.661 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -19.415 5.035 -6.179 1.00 0.00 N ATOM 0 H ARG A 90 -12.928 3.253 -4.748 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.925 2.477 -7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.215 5.087 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.008 5.150 -7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.022 4.020 -8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.016 3.192 -6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.428 5.448 -5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.612 6.152 -7.023 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.320 3.833 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.021 7.150 -5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.760 7.347 -5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -19.570 4.087 -6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -20.207 5.608 -5.888 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.149 3.833 -6.433 1.00 0.00 N ATOM 1482 CA GLU A 91 -8.786 4.157 -6.817 1.00 0.00 C ATOM 1483 C GLU A 91 -7.891 2.922 -6.693 1.00 0.00 C ATOM 1484 O GLU A 91 -7.021 2.695 -7.532 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.241 5.315 -5.979 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.181 6.521 -6.032 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.853 7.420 -7.226 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -8.853 6.885 -8.356 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -8.610 8.621 -6.982 1.00 0.00 O ATOM 0 H GLU A 91 -10.316 3.818 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.789 4.476 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.115 4.993 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.255 5.601 -6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.214 6.179 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.097 7.093 -5.108 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.137 2.156 -5.640 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.365 0.950 -5.396 1.00 0.00 C ATOM 1498 C ALA A 92 -7.263 0.143 -6.692 1.00 0.00 C ATOM 1499 O ALA A 92 -8.275 -0.143 -7.330 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.010 0.152 -4.261 1.00 0.00 C ATOM 0 H ALA A 92 -8.860 2.347 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.351 1.200 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.431 -0.753 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.031 0.759 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.028 -0.119 -4.540 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.032 -0.201 -7.043 1.00 0.00 N ATOM 1507 CA ILE A 93 -5.785 -0.969 -8.251 1.00 0.00 C ATOM 1508 C ILE A 93 -4.968 -2.214 -7.901 1.00 0.00 C ATOM 1509 O ILE A 93 -3.887 -2.108 -7.322 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.138 -0.089 -9.322 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -3.833 0.526 -8.811 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.116 0.975 -9.823 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -2.638 0.038 -9.632 1.00 0.00 C ATOM 0 H ILE A 93 -5.195 0.038 -6.511 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.725 -1.315 -8.681 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.885 -0.719 -10.175 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.895 1.613 -8.863 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.690 0.264 -7.763 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.630 1.586 -10.583 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.993 0.490 -10.253 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.423 1.608 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.724 0.490 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.565 -1.047 -9.558 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.773 0.323 -10.675 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.529 -3.394 -8.275 1.00 0.00 N ATOM 1526 CA PRO A 94 -4.864 -4.658 -8.007 1.00 0.00 C ATOM 1527 C PRO A 94 -3.689 -4.873 -8.964 1.00 0.00 C ATOM 1528 O PRO A 94 -3.883 -5.006 -10.171 1.00 0.00 O ATOM 1529 CB PRO A 94 -5.949 -5.712 -8.152 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.065 -5.055 -8.947 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.807 -3.557 -8.962 1.00 0.00 C ATOM 0 HA PRO A 94 -4.420 -4.697 -7.012 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.570 -6.594 -8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.306 -6.041 -7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.092 -5.448 -9.963 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.033 -5.271 -8.496 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.760 -3.173 -9.981 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.603 -3.013 -8.453 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.496 -4.901 -8.388 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.290 -5.098 -9.174 1.00 0.00 C ATOM 1541 C LEU A 95 -1.064 -6.596 -9.386 1.00 0.00 C ATOM 1542 O LEU A 95 -0.978 -7.060 -10.522 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.104 -4.382 -8.524 1.00 0.00 C ATOM 1544 CG LEU A 95 1.243 -4.539 -9.231 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.902 -3.179 -9.465 1.00 0.00 C ATOM 1546 CD2 LEU A 95 2.158 -5.494 -8.462 1.00 0.00 C ATOM 0 H LEU A 95 -2.339 -4.791 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.401 -4.649 -10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.337 -3.319 -8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.000 -4.747 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 95 1.064 -4.983 -10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.858 -3.320 -9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.252 -2.562 -10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.066 -2.685 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.109 -5.588 -8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.333 -5.102 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.685 -6.473 -8.391 1.00 0.00 H new