USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 566 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 4 MET CE :methyl -151:sc= -0.713 (180deg=-1.27!) USER MOD Set 1.2: A 63 CYS SG : rot 120:sc= -1.71 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -96:sc= 0.372 USER MOD Single : A 14 ASN : amide:sc= -0.125 K(o=-0.13,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 54:sc= 2.05 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 19:sc= -5.15! USER MOD Single : A 30 THR OG1 : rot -31:sc= 0.0777 USER MOD Single : A 33 SER OG : rot 96:sc= 0.577 USER MOD Single : A 34 THR OG1 : rot 180:sc=0.000864 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0876 X(o=-0.088,f=-0.47) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -90:sc= -0.438 USER MOD Single : A 57 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.0037) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.32) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl 172:sc= -6.47! (180deg=-7.05!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.534 -0.061 -1.986 1.00 0.00 N ATOM 2 CA ALA A 1 2.413 0.798 -1.201 1.00 0.00 C ATOM 3 C ALA A 1 3.875 0.411 -1.395 1.00 0.00 C ATOM 4 O ALA A 1 4.696 1.235 -1.798 1.00 0.00 O ATOM 5 CB ALA A 1 2.038 0.730 0.272 1.00 0.00 C ATOM 0 H1 ALA A 1 0.545 0.224 -1.836 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.771 0.029 -2.995 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.658 -1.050 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 1 2.286 1.823 -1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.702 1.376 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.008 1.062 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.135 -0.297 0.625 1.00 0.00 H new ATOM 11 N ASP A 2 4.193 -0.845 -1.106 1.00 0.00 N ATOM 12 CA ASP A 2 5.557 -1.341 -1.249 1.00 0.00 C ATOM 13 C ASP A 2 6.021 -1.245 -2.699 1.00 0.00 C ATOM 14 O ASP A 2 5.205 -1.185 -3.619 1.00 0.00 O ATOM 15 CB ASP A 2 5.650 -2.789 -0.766 1.00 0.00 C ATOM 16 CG ASP A 2 5.516 -2.907 0.739 1.00 0.00 C ATOM 17 OD1 ASP A 2 5.418 -1.858 1.411 1.00 0.00 O ATOM 18 OD2 ASP A 2 5.509 -4.048 1.246 1.00 0.00 O ATOM 0 H ASP A 2 3.525 -1.539 -0.771 1.00 0.00 H new ATOM 0 HA ASP A 2 6.209 -0.719 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.869 -3.379 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.605 -3.212 -1.077 1.00 0.00 H new ATOM 23 N ASP A 3 7.335 -1.229 -2.895 1.00 0.00 N ATOM 24 CA ASP A 3 7.907 -1.140 -4.233 1.00 0.00 C ATOM 25 C ASP A 3 8.803 -2.341 -4.522 1.00 0.00 C ATOM 26 O ASP A 3 8.863 -2.825 -5.652 1.00 0.00 O ATOM 27 CB ASP A 3 8.706 0.155 -4.384 1.00 0.00 C ATOM 28 CG ASP A 3 7.820 1.385 -4.380 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.650 1.276 -4.805 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.295 2.457 -3.950 1.00 0.00 O ATOM 0 H ASP A 3 8.024 -1.277 -2.144 1.00 0.00 H new ATOM 0 HA ASP A 3 7.088 -1.139 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.429 0.229 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.273 0.122 -5.314 1.00 0.00 H new ATOM 35 N MET A 4 9.498 -2.815 -3.493 1.00 0.00 N ATOM 36 CA MET A 4 10.391 -3.960 -3.637 1.00 0.00 C ATOM 37 C MET A 4 9.998 -5.080 -2.679 1.00 0.00 C ATOM 38 O MET A 4 10.177 -6.258 -2.982 1.00 0.00 O ATOM 39 CB MET A 4 11.839 -3.539 -3.382 1.00 0.00 C ATOM 40 CG MET A 4 12.052 -2.883 -2.027 1.00 0.00 C ATOM 41 SD MET A 4 11.826 -1.095 -2.077 1.00 0.00 S ATOM 42 CE MET A 4 13.121 -0.622 -3.221 1.00 0.00 C ATOM 0 H MET A 4 9.460 -2.425 -2.551 1.00 0.00 H new ATOM 0 HA MET A 4 10.303 -4.332 -4.658 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.482 -4.416 -3.457 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.151 -2.847 -4.164 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.357 -3.313 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.058 -3.108 -1.673 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.462 0.387 -2.988 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.956 -1.317 -3.133 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.734 -0.648 -4.240 1.00 0.00 H new ATOM 52 N GLU A 5 9.462 -4.702 -1.523 1.00 0.00 N ATOM 53 CA GLU A 5 9.045 -5.676 -0.521 1.00 0.00 C ATOM 54 C GLU A 5 8.023 -6.650 -1.100 1.00 0.00 C ATOM 55 O GLU A 5 8.165 -7.866 -0.968 1.00 0.00 O ATOM 56 CB GLU A 5 8.454 -4.966 0.699 1.00 0.00 C ATOM 57 CG GLU A 5 9.487 -4.231 1.536 1.00 0.00 C ATOM 58 CD GLU A 5 10.527 -5.163 2.128 1.00 0.00 C ATOM 59 OE1 GLU A 5 10.164 -6.297 2.503 1.00 0.00 O ATOM 60 OE2 GLU A 5 11.705 -4.757 2.215 1.00 0.00 O ATOM 0 H GLU A 5 9.306 -3.730 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 5 9.925 -6.240 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.698 -4.256 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.947 -5.700 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.984 -3.483 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.983 -3.696 2.341 1.00 0.00 H new ATOM 67 N ARG A 6 6.995 -6.107 -1.742 1.00 0.00 N ATOM 68 CA ARG A 6 5.948 -6.926 -2.341 1.00 0.00 C ATOM 69 C ARG A 6 6.547 -7.981 -3.267 1.00 0.00 C ATOM 70 O ARG A 6 5.961 -9.045 -3.472 1.00 0.00 O ATOM 71 CB ARG A 6 4.965 -6.049 -3.118 1.00 0.00 C ATOM 72 CG ARG A 6 3.703 -6.780 -3.546 1.00 0.00 C ATOM 73 CD ARG A 6 3.001 -6.059 -4.686 1.00 0.00 C ATOM 74 NE ARG A 6 1.662 -5.614 -4.310 1.00 0.00 N ATOM 75 CZ ARG A 6 1.424 -4.515 -3.602 1.00 0.00 C ATOM 76 NH1 ARG A 6 2.430 -3.753 -3.197 1.00 0.00 N ATOM 77 NH2 ARG A 6 0.177 -4.176 -3.300 1.00 0.00 N ATOM 0 H ARG A 6 6.864 -5.102 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 6 5.414 -7.433 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.688 -5.194 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.464 -5.655 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.956 -7.794 -3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.025 -6.866 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.596 -5.199 -4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.934 -6.723 -5.548 1.00 0.00 H new ATOM 0 HE ARG A 6 0.866 -6.178 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.390 -4.010 -3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.245 -2.910 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.600 -4.759 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.005 -3.332 -2.756 1.00 0.00 H new ATOM 91 N ILE A 7 7.715 -7.679 -3.822 1.00 0.00 N ATOM 92 CA ILE A 7 8.393 -8.602 -4.725 1.00 0.00 C ATOM 93 C ILE A 7 9.335 -9.526 -3.961 1.00 0.00 C ATOM 94 O ILE A 7 9.469 -10.704 -4.292 1.00 0.00 O ATOM 95 CB ILE A 7 9.193 -7.848 -5.803 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.529 -6.506 -6.117 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.312 -8.693 -7.062 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.197 -5.751 -7.245 1.00 0.00 C ATOM 0 H ILE A 7 8.212 -6.803 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 7 7.618 -9.197 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 7 10.196 -7.655 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.484 -6.678 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.538 -5.886 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.880 -8.146 -7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.825 -9.626 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.317 -8.913 -7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.674 -4.810 -7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.235 -5.547 -6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.164 -6.351 -8.154 1.00 0.00 H new ATOM 110 N PHE A 8 9.985 -8.984 -2.937 1.00 0.00 N ATOM 111 CA PHE A 8 10.915 -9.760 -2.124 1.00 0.00 C ATOM 112 C PHE A 8 10.178 -10.840 -1.337 1.00 0.00 C ATOM 113 O PHE A 8 10.683 -11.949 -1.159 1.00 0.00 O ATOM 114 CB PHE A 8 11.675 -8.843 -1.165 1.00 0.00 C ATOM 115 CG PHE A 8 12.371 -9.579 -0.056 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.434 -10.425 -0.329 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.962 -9.426 1.259 1.00 0.00 C ATOM 118 CE1 PHE A 8 14.077 -11.104 0.689 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.601 -10.102 2.281 1.00 0.00 C ATOM 120 CZ PHE A 8 13.659 -10.943 1.996 1.00 0.00 C ATOM 0 H PHE A 8 9.885 -8.010 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 8 11.627 -10.244 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.412 -8.271 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.978 -8.125 -0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.764 -10.555 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.134 -8.771 1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.905 -11.759 0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.273 -9.973 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.158 -11.474 2.793 1.00 0.00 H new ATOM 130 N LYS A 9 8.981 -10.508 -0.866 1.00 0.00 N ATOM 131 CA LYS A 9 8.173 -11.447 -0.098 1.00 0.00 C ATOM 132 C LYS A 9 7.568 -12.514 -1.006 1.00 0.00 C ATOM 133 O LYS A 9 7.215 -13.602 -0.550 1.00 0.00 O ATOM 134 CB LYS A 9 7.060 -10.705 0.646 1.00 0.00 C ATOM 135 CG LYS A 9 7.572 -9.644 1.605 1.00 0.00 C ATOM 136 CD LYS A 9 6.592 -8.491 1.736 1.00 0.00 C ATOM 137 CE LYS A 9 5.650 -8.690 2.914 1.00 0.00 C ATOM 138 NZ LYS A 9 6.290 -8.313 4.205 1.00 0.00 N ATOM 0 H LYS A 9 8.549 -9.594 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 9 8.822 -11.937 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.398 -10.236 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.462 -11.427 1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.743 -10.090 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.533 -9.268 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.141 -7.558 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.013 -8.398 0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.751 -8.091 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.335 -9.733 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.616 -8.463 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.134 -8.901 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.568 -7.311 4.175 1.00 0.00 H new ATOM 152 N ARG A 10 7.454 -12.195 -2.291 1.00 0.00 N ATOM 153 CA ARG A 10 6.893 -13.127 -3.262 1.00 0.00 C ATOM 154 C ARG A 10 7.921 -14.181 -3.660 1.00 0.00 C ATOM 155 O ARG A 10 7.607 -15.369 -3.745 1.00 0.00 O ATOM 156 CB ARG A 10 6.411 -12.374 -4.503 1.00 0.00 C ATOM 157 CG ARG A 10 4.911 -12.469 -4.730 1.00 0.00 C ATOM 158 CD ARG A 10 4.137 -11.715 -3.660 1.00 0.00 C ATOM 159 NE ARG A 10 2.893 -12.393 -3.305 1.00 0.00 N ATOM 160 CZ ARG A 10 2.067 -11.964 -2.357 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.351 -10.864 -1.673 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.953 -12.635 -2.092 1.00 0.00 N ATOM 0 H ARG A 10 7.742 -11.299 -2.684 1.00 0.00 H new ATOM 0 HA ARG A 10 6.044 -13.630 -2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.690 -11.324 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.928 -12.766 -5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.664 -12.065 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.608 -13.516 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.758 -11.608 -2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.913 -10.709 -4.015 1.00 0.00 H new ATOM 0 HE ARG A 10 2.645 -13.242 -3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.206 -10.345 -1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.715 -10.537 -0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.730 -13.481 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.320 -12.305 -1.364 1.00 0.00 H new ATOM 176 N PHE A 11 9.150 -13.739 -3.905 1.00 0.00 N ATOM 177 CA PHE A 11 10.224 -14.645 -4.297 1.00 0.00 C ATOM 178 C PHE A 11 10.790 -15.374 -3.082 1.00 0.00 C ATOM 179 O PHE A 11 11.391 -16.441 -3.210 1.00 0.00 O ATOM 180 CB PHE A 11 11.338 -13.872 -5.007 1.00 0.00 C ATOM 181 CG PHE A 11 10.961 -13.410 -6.386 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.599 -14.323 -7.362 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.969 -12.061 -6.705 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.253 -13.901 -8.632 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.624 -11.633 -7.973 1.00 0.00 C ATOM 186 CZ PHE A 11 10.265 -12.554 -8.937 1.00 0.00 C ATOM 0 H PHE A 11 9.427 -12.760 -3.839 1.00 0.00 H new ATOM 0 HA PHE A 11 9.810 -15.385 -4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.610 -13.006 -4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.223 -14.505 -5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.587 -15.377 -7.128 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.248 -11.336 -5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.974 -14.623 -9.385 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.635 -10.579 -8.210 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.994 -12.222 -9.928 1.00 0.00 H new ATOM 196 N ASP A 12 10.595 -14.790 -1.905 1.00 0.00 N ATOM 197 CA ASP A 12 11.085 -15.383 -0.666 1.00 0.00 C ATOM 198 C ASP A 12 10.127 -16.458 -0.162 1.00 0.00 C ATOM 199 O ASP A 12 9.632 -16.386 0.963 1.00 0.00 O ATOM 200 CB ASP A 12 11.271 -14.305 0.402 1.00 0.00 C ATOM 201 CG ASP A 12 11.909 -14.846 1.666 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.225 -16.054 1.701 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.093 -14.062 2.621 1.00 0.00 O ATOM 0 H ASP A 12 10.101 -13.906 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 12 12.049 -15.849 -0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.890 -13.503 0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.303 -13.868 0.646 1.00 0.00 H new ATOM 208 N THR A 13 9.868 -17.455 -1.003 1.00 0.00 N ATOM 209 CA THR A 13 8.967 -18.543 -0.644 1.00 0.00 C ATOM 210 C THR A 13 9.698 -19.881 -0.635 1.00 0.00 C ATOM 211 O THR A 13 9.072 -20.940 -0.656 1.00 0.00 O ATOM 212 CB THR A 13 7.774 -18.628 -1.614 1.00 0.00 C ATOM 213 OG1 THR A 13 8.182 -18.232 -2.928 1.00 0.00 O ATOM 214 CG2 THR A 13 6.630 -17.743 -1.144 1.00 0.00 C ATOM 0 H THR A 13 10.270 -17.531 -1.937 1.00 0.00 H new ATOM 0 HA THR A 13 8.595 -18.329 0.358 1.00 0.00 H new ATOM 0 HB THR A 13 7.426 -19.661 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.957 -17.289 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.799 -17.820 -1.845 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.302 -18.066 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.968 -16.708 -1.094 1.00 0.00 H new ATOM 222 N ASN A 14 11.025 -19.825 -0.604 1.00 0.00 N ATOM 223 CA ASN A 14 11.841 -21.034 -0.592 1.00 0.00 C ATOM 224 C ASN A 14 11.858 -21.665 0.797 1.00 0.00 C ATOM 225 O ASN A 14 11.650 -22.869 0.945 1.00 0.00 O ATOM 226 CB ASN A 14 13.270 -20.714 -1.036 1.00 0.00 C ATOM 227 CG ASN A 14 13.976 -21.920 -1.625 1.00 0.00 C ATOM 228 OD1 ASN A 14 13.340 -22.911 -1.985 1.00 0.00 O ATOM 229 ND2 ASN A 14 15.298 -21.841 -1.725 1.00 0.00 N ATOM 0 H ASN A 14 11.558 -18.956 -0.587 1.00 0.00 H new ATOM 0 HA ASN A 14 11.401 -21.746 -1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.247 -19.913 -1.775 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.839 -20.344 -0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.828 -22.622 -2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.784 -21.000 -1.414 1.00 0.00 H new ATOM 236 N GLY A 15 12.106 -20.844 1.812 1.00 0.00 N ATOM 237 CA GLY A 15 12.144 -21.339 3.175 1.00 0.00 C ATOM 238 C GLY A 15 13.335 -20.812 3.951 1.00 0.00 C ATOM 239 O GLY A 15 13.310 -20.759 5.181 1.00 0.00 O ATOM 0 H GLY A 15 12.281 -19.844 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.225 -21.054 3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.176 -22.428 3.162 1.00 0.00 H new ATOM 243 N ASP A 16 14.381 -20.421 3.231 1.00 0.00 N ATOM 244 CA ASP A 16 15.588 -19.895 3.860 1.00 0.00 C ATOM 245 C ASP A 16 15.445 -18.404 4.148 1.00 0.00 C ATOM 246 O ASP A 16 15.775 -17.937 5.237 1.00 0.00 O ATOM 247 CB ASP A 16 16.803 -20.139 2.964 1.00 0.00 C ATOM 248 CG ASP A 16 17.160 -21.609 2.860 1.00 0.00 C ATOM 249 OD1 ASP A 16 16.507 -22.324 2.071 1.00 0.00 O ATOM 250 OD2 ASP A 16 18.092 -22.045 3.568 1.00 0.00 O ATOM 0 H ASP A 16 14.418 -20.458 2.212 1.00 0.00 H new ATOM 0 HA ASP A 16 15.732 -20.417 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.601 -19.746 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 16 17.657 -19.588 3.357 1.00 0.00 H new ATOM 255 N GLY A 17 14.951 -17.660 3.162 1.00 0.00 N ATOM 256 CA GLY A 17 14.774 -16.230 3.329 1.00 0.00 C ATOM 257 C GLY A 17 15.309 -15.438 2.153 1.00 0.00 C ATOM 258 O GLY A 17 14.914 -14.293 1.933 1.00 0.00 O ATOM 0 H GLY A 17 14.671 -18.023 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.714 -16.011 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.279 -15.908 4.240 1.00 0.00 H new ATOM 262 N LYS A 18 16.214 -16.047 1.394 1.00 0.00 N ATOM 263 CA LYS A 18 16.806 -15.393 0.234 1.00 0.00 C ATOM 264 C LYS A 18 16.005 -15.695 -1.029 1.00 0.00 C ATOM 265 O LYS A 18 15.157 -16.588 -1.038 1.00 0.00 O ATOM 266 CB LYS A 18 18.256 -15.847 0.051 1.00 0.00 C ATOM 267 CG LYS A 18 19.038 -15.921 1.351 1.00 0.00 C ATOM 268 CD LYS A 18 20.439 -16.467 1.129 1.00 0.00 C ATOM 269 CE LYS A 18 21.361 -16.126 2.290 1.00 0.00 C ATOM 270 NZ LYS A 18 22.569 -16.997 2.313 1.00 0.00 N ATOM 0 H LYS A 18 16.554 -16.994 1.562 1.00 0.00 H new ATOM 0 HA LYS A 18 16.787 -14.317 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.264 -16.828 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.760 -15.160 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.100 -14.928 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.507 -16.556 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.393 -17.549 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.848 -16.057 0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 18 21.667 -15.082 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 18 20.818 -16.233 3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.172 -16.733 3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.279 -17.991 2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.101 -16.876 1.428 1.00 0.00 H new ATOM 284 N ILE A 19 16.281 -14.947 -2.092 1.00 0.00 N ATOM 285 CA ILE A 19 15.588 -15.138 -3.360 1.00 0.00 C ATOM 286 C ILE A 19 16.578 -15.329 -4.504 1.00 0.00 C ATOM 287 O ILE A 19 17.569 -14.607 -4.608 1.00 0.00 O ATOM 288 CB ILE A 19 14.669 -13.945 -3.684 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.494 -12.665 -3.834 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.615 -13.778 -2.600 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.660 -11.443 -4.154 1.00 0.00 C ATOM 0 H ILE A 19 16.979 -14.204 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 19 14.980 -16.037 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 19 14.162 -14.142 -4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.045 -12.487 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.232 -12.808 -4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.974 -12.931 -2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.012 -14.684 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.103 -13.600 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.310 -10.573 -4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.129 -11.601 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.940 -11.274 -3.354 1.00 0.00 H new ATOM 303 N SER A 20 16.300 -16.305 -5.362 1.00 0.00 N ATOM 304 CA SER A 20 17.167 -16.593 -6.499 1.00 0.00 C ATOM 305 C SER A 20 17.139 -15.448 -7.507 1.00 0.00 C ATOM 306 O SER A 20 16.161 -15.270 -8.235 1.00 0.00 O ATOM 307 CB SER A 20 16.739 -17.895 -7.177 1.00 0.00 C ATOM 308 OG SER A 20 17.841 -18.770 -7.343 1.00 0.00 O ATOM 0 H SER A 20 15.482 -16.910 -5.292 1.00 0.00 H new ATOM 0 HA SER A 20 18.186 -16.703 -6.128 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.969 -18.384 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.296 -17.674 -8.148 1.00 0.00 H new ATOM 0 HG SER A 20 18.281 -18.909 -6.479 1.00 0.00 H new ATOM 314 N LEU A 21 18.218 -14.674 -7.544 1.00 0.00 N ATOM 315 CA LEU A 21 18.318 -13.545 -8.463 1.00 0.00 C ATOM 316 C LEU A 21 17.834 -13.932 -9.856 1.00 0.00 C ATOM 317 O LEU A 21 17.006 -13.241 -10.451 1.00 0.00 O ATOM 318 CB LEU A 21 19.763 -13.047 -8.533 1.00 0.00 C ATOM 319 CG LEU A 21 20.841 -14.058 -8.143 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.980 -14.039 -9.151 1.00 0.00 C ATOM 321 CD2 LEU A 21 21.362 -13.769 -6.742 1.00 0.00 C ATOM 0 H LEU A 21 19.036 -14.807 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 21 17.681 -12.744 -8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.961 -12.709 -9.550 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.858 -12.176 -7.884 1.00 0.00 H new ATOM 0 HG LEU A 21 20.397 -15.053 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.738 -14.765 -8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.596 -14.295 -10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 21 22.423 -13.044 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.129 -14.499 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 21 21.790 -12.767 -6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 21 20.541 -13.834 -6.028 1.00 0.00 H new ATOM 333 N SER A 22 18.353 -15.042 -10.371 1.00 0.00 N ATOM 334 CA SER A 22 17.975 -15.521 -11.695 1.00 0.00 C ATOM 335 C SER A 22 16.457 -15.552 -11.848 1.00 0.00 C ATOM 336 O SER A 22 15.917 -15.116 -12.864 1.00 0.00 O ATOM 337 CB SER A 22 18.552 -16.916 -11.941 1.00 0.00 C ATOM 338 OG SER A 22 17.938 -17.533 -13.059 1.00 0.00 O ATOM 0 H SER A 22 19.037 -15.627 -9.891 1.00 0.00 H new ATOM 0 HA SER A 22 18.384 -14.832 -12.434 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.627 -16.844 -12.106 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.406 -17.534 -11.055 1.00 0.00 H new ATOM 0 HG SER A 22 18.326 -18.423 -13.196 1.00 0.00 H new ATOM 344 N GLU A 23 15.776 -16.072 -10.831 1.00 0.00 N ATOM 345 CA GLU A 23 14.321 -16.161 -10.853 1.00 0.00 C ATOM 346 C GLU A 23 13.691 -14.771 -10.888 1.00 0.00 C ATOM 347 O GLU A 23 12.613 -14.579 -11.452 1.00 0.00 O ATOM 348 CB GLU A 23 13.817 -16.931 -9.631 1.00 0.00 C ATOM 349 CG GLU A 23 13.776 -18.436 -9.835 1.00 0.00 C ATOM 350 CD GLU A 23 12.545 -18.888 -10.597 1.00 0.00 C ATOM 351 OE1 GLU A 23 11.440 -18.397 -10.286 1.00 0.00 O ATOM 352 OE2 GLU A 23 12.688 -19.735 -11.504 1.00 0.00 O ATOM 0 H GLU A 23 16.209 -16.438 -9.983 1.00 0.00 H new ATOM 0 HA GLU A 23 14.029 -16.696 -11.757 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.459 -16.706 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.817 -16.580 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.669 -18.750 -10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.800 -18.931 -8.864 1.00 0.00 H new ATOM 359 N LEU A 24 14.371 -13.805 -10.281 1.00 0.00 N ATOM 360 CA LEU A 24 13.879 -12.432 -10.241 1.00 0.00 C ATOM 361 C LEU A 24 14.152 -11.717 -11.560 1.00 0.00 C ATOM 362 O LEU A 24 13.230 -11.240 -12.223 1.00 0.00 O ATOM 363 CB LEU A 24 14.535 -11.668 -9.089 1.00 0.00 C ATOM 364 CG LEU A 24 13.967 -10.279 -8.796 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.146 -9.928 -7.327 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.630 -9.234 -9.680 1.00 0.00 C ATOM 0 H LEU A 24 15.264 -13.947 -9.810 1.00 0.00 H new ATOM 0 HA LEU A 24 12.801 -12.463 -10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.451 -12.271 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.598 -11.566 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 24 12.900 -10.290 -9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.736 -8.936 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.624 -10.660 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.207 -9.936 -7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.213 -8.252 -9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.703 -9.224 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.449 -9.476 -10.727 1.00 0.00 H new ATOM 378 N THR A 25 15.424 -11.648 -11.938 1.00 0.00 N ATOM 379 CA THR A 25 15.818 -10.993 -13.179 1.00 0.00 C ATOM 380 C THR A 25 15.062 -11.571 -14.370 1.00 0.00 C ATOM 381 O THR A 25 14.918 -10.916 -15.403 1.00 0.00 O ATOM 382 CB THR A 25 17.332 -11.130 -13.431 1.00 0.00 C ATOM 383 OG1 THR A 25 17.704 -10.387 -14.597 1.00 0.00 O ATOM 384 CG2 THR A 25 17.721 -12.590 -13.608 1.00 0.00 C ATOM 0 H THR A 25 16.200 -12.038 -11.402 1.00 0.00 H new ATOM 0 HA THR A 25 15.569 -9.937 -13.072 1.00 0.00 H new ATOM 0 HB THR A 25 17.860 -10.732 -12.564 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.008 -9.728 -14.801 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.794 -12.662 -13.785 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.463 -13.147 -12.707 1.00 0.00 H new ATOM 0 HG23 THR A 25 17.184 -13.009 -14.459 1.00 0.00 H new ATOM 392 N ASP A 26 14.581 -12.800 -14.220 1.00 0.00 N ATOM 393 CA ASP A 26 13.838 -13.465 -15.283 1.00 0.00 C ATOM 394 C ASP A 26 12.335 -13.292 -15.086 1.00 0.00 C ATOM 395 O ASP A 26 11.552 -13.470 -16.019 1.00 0.00 O ATOM 396 CB ASP A 26 14.190 -14.953 -15.327 1.00 0.00 C ATOM 397 CG ASP A 26 13.924 -15.571 -16.686 1.00 0.00 C ATOM 398 OD1 ASP A 26 13.881 -14.819 -17.682 1.00 0.00 O ATOM 399 OD2 ASP A 26 13.759 -16.807 -16.753 1.00 0.00 O ATOM 0 H ASP A 26 14.693 -13.356 -13.372 1.00 0.00 H new ATOM 0 HA ASP A 26 14.118 -13.005 -16.231 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.242 -15.082 -15.072 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.611 -15.483 -14.571 1.00 0.00 H new ATOM 404 N ALA A 27 11.939 -12.944 -13.866 1.00 0.00 N ATOM 405 CA ALA A 27 10.531 -12.746 -13.546 1.00 0.00 C ATOM 406 C ALA A 27 10.193 -11.262 -13.455 1.00 0.00 C ATOM 407 O ALA A 27 9.281 -10.866 -12.726 1.00 0.00 O ATOM 408 CB ALA A 27 10.181 -13.451 -12.244 1.00 0.00 C ATOM 0 H ALA A 27 12.574 -12.793 -13.082 1.00 0.00 H new ATOM 0 HA ALA A 27 9.936 -13.178 -14.351 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.126 -13.294 -12.018 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.376 -14.519 -12.345 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.790 -13.046 -11.436 1.00 0.00 H new ATOM 414 N LEU A 28 10.932 -10.444 -14.196 1.00 0.00 N ATOM 415 CA LEU A 28 10.710 -9.003 -14.198 1.00 0.00 C ATOM 416 C LEU A 28 10.033 -8.557 -15.491 1.00 0.00 C ATOM 417 O LEU A 28 8.989 -7.905 -15.463 1.00 0.00 O ATOM 418 CB LEU A 28 12.038 -8.263 -14.023 1.00 0.00 C ATOM 419 CG LEU A 28 12.426 -7.912 -12.587 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.938 -7.937 -12.422 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.868 -6.550 -12.200 1.00 0.00 C ATOM 0 H LEU A 28 11.690 -10.754 -14.803 1.00 0.00 H new ATOM 0 HA LEU A 28 10.052 -8.760 -13.363 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.831 -8.874 -14.453 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.996 -7.341 -14.603 1.00 0.00 H new ATOM 0 HG LEU A 28 11.995 -8.660 -11.922 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.196 -7.685 -11.393 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.313 -8.933 -12.656 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.390 -7.211 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.155 -6.317 -11.174 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.268 -5.789 -12.870 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.781 -6.567 -12.278 1.00 0.00 H new ATOM 433 N ARG A 29 10.634 -8.915 -16.621 1.00 0.00 N ATOM 434 CA ARG A 29 10.088 -8.553 -17.924 1.00 0.00 C ATOM 435 C ARG A 29 8.657 -9.062 -18.074 1.00 0.00 C ATOM 436 O ARG A 29 7.868 -8.512 -18.843 1.00 0.00 O ATOM 437 CB ARG A 29 10.963 -9.122 -19.042 1.00 0.00 C ATOM 438 CG ARG A 29 10.638 -8.558 -20.416 1.00 0.00 C ATOM 439 CD ARG A 29 10.999 -9.539 -21.520 1.00 0.00 C ATOM 440 NE ARG A 29 10.227 -9.301 -22.737 1.00 0.00 N ATOM 441 CZ ARG A 29 8.980 -9.725 -22.911 1.00 0.00 C ATOM 442 NH1 ARG A 29 8.367 -10.404 -21.951 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.343 -9.469 -24.047 1.00 0.00 N ATOM 0 H ARG A 29 11.498 -9.455 -16.661 1.00 0.00 H new ATOM 0 HA ARG A 29 10.078 -7.466 -17.997 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.009 -8.918 -18.813 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.847 -10.206 -19.067 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.575 -8.321 -20.471 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.181 -7.625 -20.565 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.063 -9.458 -21.744 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.823 -10.557 -21.172 1.00 0.00 H new ATOM 0 HE ARG A 29 10.670 -8.781 -23.495 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.853 -10.602 -21.076 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.410 -10.728 -22.087 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.811 -8.946 -24.787 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.386 -9.795 -24.180 1.00 0.00 H new ATOM 457 N THR A 30 8.329 -10.117 -17.335 1.00 0.00 N ATOM 458 CA THR A 30 6.995 -10.702 -17.387 1.00 0.00 C ATOM 459 C THR A 30 6.011 -9.902 -16.541 1.00 0.00 C ATOM 460 O THR A 30 4.796 -10.051 -16.676 1.00 0.00 O ATOM 461 CB THR A 30 7.002 -12.163 -16.902 1.00 0.00 C ATOM 462 OG1 THR A 30 5.726 -12.766 -17.143 1.00 0.00 O ATOM 463 CG2 THR A 30 7.332 -12.239 -15.419 1.00 0.00 C ATOM 0 H THR A 30 8.969 -10.584 -16.693 1.00 0.00 H new ATOM 0 HA THR A 30 6.679 -10.676 -18.430 1.00 0.00 H new ATOM 0 HB THR A 30 7.769 -12.703 -17.457 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.025 -12.083 -17.084 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.331 -13.281 -15.099 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.317 -11.806 -15.243 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.585 -11.684 -14.851 1.00 0.00 H new ATOM 471 N LEU A 31 6.542 -9.053 -15.668 1.00 0.00 N ATOM 472 CA LEU A 31 5.710 -8.228 -14.799 1.00 0.00 C ATOM 473 C LEU A 31 5.643 -6.793 -15.312 1.00 0.00 C ATOM 474 O LEU A 31 5.272 -5.878 -14.578 1.00 0.00 O ATOM 475 CB LEU A 31 6.256 -8.246 -13.370 1.00 0.00 C ATOM 476 CG LEU A 31 6.509 -9.628 -12.766 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.122 -9.500 -11.380 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.216 -10.429 -12.707 1.00 0.00 C ATOM 0 H LEU A 31 7.545 -8.918 -15.543 1.00 0.00 H new ATOM 0 HA LEU A 31 4.702 -8.643 -14.801 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.192 -7.687 -13.353 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.555 -7.714 -12.728 1.00 0.00 H new ATOM 0 HG LEU A 31 7.214 -10.160 -13.405 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.295 -10.493 -10.966 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.069 -8.965 -11.449 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.441 -8.949 -10.731 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.415 -11.410 -12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.489 -9.901 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.817 -10.551 -13.714 1.00 0.00 H new ATOM 490 N GLY A 32 6.002 -6.605 -16.578 1.00 0.00 N ATOM 491 CA GLY A 32 5.974 -5.279 -17.168 1.00 0.00 C ATOM 492 C GLY A 32 7.215 -4.473 -16.842 1.00 0.00 C ATOM 493 O GLY A 32 7.121 -3.334 -16.385 1.00 0.00 O ATOM 0 H GLY A 32 6.312 -7.347 -17.206 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.876 -5.368 -18.250 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.093 -4.745 -16.811 1.00 0.00 H new ATOM 497 N SER A 33 8.382 -5.064 -17.077 1.00 0.00 N ATOM 498 CA SER A 33 9.648 -4.395 -16.801 1.00 0.00 C ATOM 499 C SER A 33 10.445 -4.190 -18.085 1.00 0.00 C ATOM 500 O SER A 33 10.425 -5.030 -18.985 1.00 0.00 O ATOM 501 CB SER A 33 10.471 -5.209 -15.800 1.00 0.00 C ATOM 502 OG SER A 33 9.746 -5.428 -14.602 1.00 0.00 O ATOM 0 H SER A 33 8.477 -6.005 -17.458 1.00 0.00 H new ATOM 0 HA SER A 33 9.429 -3.418 -16.371 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.745 -6.166 -16.243 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.400 -4.684 -15.576 1.00 0.00 H new ATOM 0 HG SER A 33 9.315 -6.308 -14.637 1.00 0.00 H new ATOM 508 N THR A 34 11.148 -3.064 -18.163 1.00 0.00 N ATOM 509 CA THR A 34 11.952 -2.745 -19.337 1.00 0.00 C ATOM 510 C THR A 34 13.412 -3.131 -19.124 1.00 0.00 C ATOM 511 O THR A 34 14.014 -3.802 -19.962 1.00 0.00 O ATOM 512 CB THR A 34 11.875 -1.246 -19.680 1.00 0.00 C ATOM 513 OG1 THR A 34 10.847 -0.618 -18.905 1.00 0.00 O ATOM 514 CG2 THR A 34 11.594 -1.044 -21.162 1.00 0.00 C ATOM 0 H THR A 34 11.177 -2.358 -17.427 1.00 0.00 H new ATOM 0 HA THR A 34 11.543 -3.322 -20.167 1.00 0.00 H new ATOM 0 HB THR A 34 12.837 -0.792 -19.443 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.806 0.335 -19.128 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.544 0.023 -21.381 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.393 -1.498 -21.749 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.644 -1.512 -21.419 1.00 0.00 H new ATOM 522 N SER A 35 13.974 -2.704 -17.999 1.00 0.00 N ATOM 523 CA SER A 35 15.365 -3.003 -17.678 1.00 0.00 C ATOM 524 C SER A 35 15.481 -4.345 -16.961 1.00 0.00 C ATOM 525 O SER A 35 15.732 -4.398 -15.757 1.00 0.00 O ATOM 526 CB SER A 35 15.959 -1.894 -16.808 1.00 0.00 C ATOM 527 OG SER A 35 15.401 -0.633 -17.136 1.00 0.00 O ATOM 0 H SER A 35 13.488 -2.150 -17.294 1.00 0.00 H new ATOM 0 HA SER A 35 15.923 -3.061 -18.612 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.774 -2.114 -15.757 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.040 -1.862 -16.942 1.00 0.00 H new ATOM 0 HG SER A 35 15.796 0.058 -16.565 1.00 0.00 H new ATOM 533 N ALA A 36 15.297 -5.426 -17.710 1.00 0.00 N ATOM 534 CA ALA A 36 15.383 -6.769 -17.149 1.00 0.00 C ATOM 535 C ALA A 36 16.701 -7.437 -17.522 1.00 0.00 C ATOM 536 O ALA A 36 17.432 -7.918 -16.656 1.00 0.00 O ATOM 537 CB ALA A 36 14.208 -7.614 -17.619 1.00 0.00 C ATOM 0 H ALA A 36 15.087 -5.399 -18.708 1.00 0.00 H new ATOM 0 HA ALA A 36 15.344 -6.685 -16.063 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.285 -8.614 -17.192 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.275 -7.152 -17.295 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.221 -7.682 -18.707 1.00 0.00 H new ATOM 543 N ASP A 37 16.999 -7.465 -18.817 1.00 0.00 N ATOM 544 CA ASP A 37 18.230 -8.075 -19.305 1.00 0.00 C ATOM 545 C ASP A 37 19.453 -7.354 -18.745 1.00 0.00 C ATOM 546 O ASP A 37 20.558 -7.894 -18.749 1.00 0.00 O ATOM 547 CB ASP A 37 18.265 -8.051 -20.834 1.00 0.00 C ATOM 548 CG ASP A 37 18.361 -6.643 -21.389 1.00 0.00 C ATOM 549 OD1 ASP A 37 19.494 -6.141 -21.542 1.00 0.00 O ATOM 550 OD2 ASP A 37 17.302 -6.044 -21.672 1.00 0.00 O ATOM 0 H ASP A 37 16.405 -7.072 -19.547 1.00 0.00 H new ATOM 0 HA ASP A 37 18.253 -9.110 -18.965 1.00 0.00 H new ATOM 0 HB2 ASP A 37 19.116 -8.635 -21.184 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.367 -8.531 -21.223 1.00 0.00 H new ATOM 555 N GLU A 38 19.245 -6.131 -18.266 1.00 0.00 N ATOM 556 CA GLU A 38 20.331 -5.337 -17.705 1.00 0.00 C ATOM 557 C GLU A 38 21.047 -6.101 -16.594 1.00 0.00 C ATOM 558 O GLU A 38 22.239 -5.906 -16.360 1.00 0.00 O ATOM 559 CB GLU A 38 19.795 -4.010 -17.163 1.00 0.00 C ATOM 560 CG GLU A 38 18.844 -4.172 -15.989 1.00 0.00 C ATOM 561 CD GLU A 38 18.563 -2.861 -15.281 1.00 0.00 C ATOM 562 OE1 GLU A 38 19.033 -1.811 -15.767 1.00 0.00 O ATOM 563 OE2 GLU A 38 17.872 -2.885 -14.241 1.00 0.00 O ATOM 0 H GLU A 38 18.335 -5.670 -18.255 1.00 0.00 H new ATOM 0 HA GLU A 38 21.047 -5.134 -18.502 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.635 -3.387 -16.856 1.00 0.00 H new ATOM 0 HB3 GLU A 38 19.281 -3.480 -17.965 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.905 -4.598 -16.343 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.268 -4.881 -15.278 1.00 0.00 H new ATOM 570 N VAL A 39 20.309 -6.971 -15.913 1.00 0.00 N ATOM 571 CA VAL A 39 20.871 -7.765 -14.827 1.00 0.00 C ATOM 572 C VAL A 39 20.837 -9.252 -15.159 1.00 0.00 C ATOM 573 O VAL A 39 21.610 -10.038 -14.612 1.00 0.00 O ATOM 574 CB VAL A 39 20.114 -7.527 -13.507 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.629 -7.804 -13.686 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.695 -8.389 -12.397 1.00 0.00 C ATOM 0 H VAL A 39 19.320 -7.144 -16.094 1.00 0.00 H new ATOM 0 HA VAL A 39 21.906 -7.447 -14.705 1.00 0.00 H new ATOM 0 HB VAL A 39 20.233 -6.481 -13.224 1.00 0.00 H new ATOM 0 HG11 VAL A 39 18.110 -7.631 -12.743 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.225 -7.140 -14.450 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.487 -8.840 -13.993 1.00 0.00 H new ATOM 0 HG21 VAL A 39 20.148 -8.208 -11.472 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.608 -9.441 -12.670 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.746 -8.137 -12.253 1.00 0.00 H new ATOM 586 N GLN A 40 19.935 -9.632 -16.059 1.00 0.00 N ATOM 587 CA GLN A 40 19.800 -11.026 -16.464 1.00 0.00 C ATOM 588 C GLN A 40 21.134 -11.583 -16.951 1.00 0.00 C ATOM 589 O GLN A 40 21.353 -12.794 -16.938 1.00 0.00 O ATOM 590 CB GLN A 40 18.746 -11.160 -17.564 1.00 0.00 C ATOM 591 CG GLN A 40 18.005 -12.487 -17.538 1.00 0.00 C ATOM 592 CD GLN A 40 18.554 -13.481 -18.542 1.00 0.00 C ATOM 593 OE1 GLN A 40 18.823 -13.135 -19.693 1.00 0.00 O ATOM 594 NE2 GLN A 40 18.723 -14.726 -18.111 1.00 0.00 N ATOM 0 H GLN A 40 19.287 -8.994 -16.521 1.00 0.00 H new ATOM 0 HA GLN A 40 19.482 -11.601 -15.594 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.025 -10.349 -17.465 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.228 -11.042 -18.534 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.068 -12.915 -16.537 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.949 -12.313 -17.744 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.487 -14.969 -17.149 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.089 -15.439 -18.742 1.00 0.00 H new ATOM 603 N ARG A 41 22.021 -10.691 -17.380 1.00 0.00 N ATOM 604 CA ARG A 41 23.332 -11.094 -17.872 1.00 0.00 C ATOM 605 C ARG A 41 24.442 -10.515 -17.000 1.00 0.00 C ATOM 606 O ARG A 41 25.620 -10.582 -17.351 1.00 0.00 O ATOM 607 CB ARG A 41 23.518 -10.640 -19.321 1.00 0.00 C ATOM 608 CG ARG A 41 23.494 -9.130 -19.494 1.00 0.00 C ATOM 609 CD ARG A 41 24.681 -8.643 -20.311 1.00 0.00 C ATOM 610 NE ARG A 41 24.610 -9.091 -21.699 1.00 0.00 N ATOM 611 CZ ARG A 41 25.436 -8.668 -22.650 1.00 0.00 C ATOM 612 NH1 ARG A 41 26.391 -7.794 -22.364 1.00 0.00 N ATOM 613 NH2 ARG A 41 25.308 -9.122 -23.891 1.00 0.00 N ATOM 0 H ARG A 41 21.855 -9.685 -17.397 1.00 0.00 H new ATOM 0 HA ARG A 41 23.390 -12.182 -17.829 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.467 -11.025 -19.694 1.00 0.00 H new ATOM 0 HB3 ARG A 41 22.732 -11.080 -19.935 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.567 -8.834 -19.985 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.504 -8.650 -18.515 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.718 -7.554 -20.283 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.605 -9.005 -19.860 1.00 0.00 H new ATOM 0 HE ARG A 41 23.887 -9.765 -21.952 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.493 -7.444 -21.411 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.023 -7.472 -23.097 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.575 -9.796 -24.115 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.942 -8.797 -24.621 1.00 0.00 H new ATOM 627 N MET A 42 24.057 -9.946 -15.863 1.00 0.00 N ATOM 628 CA MET A 42 25.020 -9.355 -14.940 1.00 0.00 C ATOM 629 C MET A 42 24.555 -9.509 -13.496 1.00 0.00 C ATOM 630 O MET A 42 24.839 -8.663 -12.649 1.00 0.00 O ATOM 631 CB MET A 42 25.229 -7.875 -15.266 1.00 0.00 C ATOM 632 CG MET A 42 25.802 -7.632 -16.652 1.00 0.00 C ATOM 633 SD MET A 42 26.697 -6.072 -16.771 1.00 0.00 S ATOM 634 CE MET A 42 27.822 -6.428 -18.119 1.00 0.00 C ATOM 0 H MET A 42 23.086 -9.881 -15.558 1.00 0.00 H new ATOM 0 HA MET A 42 25.967 -9.882 -15.056 1.00 0.00 H new ATOM 0 HB2 MET A 42 24.275 -7.355 -15.180 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.898 -7.439 -14.524 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.472 -8.451 -16.912 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.992 -7.638 -17.382 1.00 0.00 H new ATOM 0 HE1 MET A 42 28.446 -5.555 -18.313 1.00 0.00 H new ATOM 0 HE2 MET A 42 28.455 -7.274 -17.851 1.00 0.00 H new ATOM 0 HE3 MET A 42 27.251 -6.672 -19.015 1.00 0.00 H new ATOM 644 N MET A 43 23.838 -10.595 -13.222 1.00 0.00 N ATOM 645 CA MET A 43 23.334 -10.859 -11.880 1.00 0.00 C ATOM 646 C MET A 43 24.428 -11.450 -10.995 1.00 0.00 C ATOM 647 O MET A 43 24.394 -11.309 -9.773 1.00 0.00 O ATOM 648 CB MET A 43 22.139 -11.813 -11.939 1.00 0.00 C ATOM 649 CG MET A 43 22.494 -13.201 -12.447 1.00 0.00 C ATOM 650 SD MET A 43 21.050 -14.129 -12.999 1.00 0.00 S ATOM 651 CE MET A 43 21.829 -15.439 -13.940 1.00 0.00 C ATOM 0 H MET A 43 23.594 -11.306 -13.912 1.00 0.00 H new ATOM 0 HA MET A 43 23.012 -9.912 -11.447 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.704 -11.900 -10.943 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.373 -11.384 -12.585 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.201 -13.112 -13.272 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.997 -13.756 -11.655 1.00 0.00 H new ATOM 0 HE1 MET A 43 21.063 -16.099 -14.348 1.00 0.00 H new ATOM 0 HE2 MET A 43 22.407 -15.006 -14.756 1.00 0.00 H new ATOM 0 HE3 MET A 43 22.491 -16.010 -13.289 1.00 0.00 H new ATOM 661 N ALA A 44 25.395 -12.112 -11.621 1.00 0.00 N ATOM 662 CA ALA A 44 26.499 -12.723 -10.891 1.00 0.00 C ATOM 663 C ALA A 44 27.678 -11.763 -10.775 1.00 0.00 C ATOM 664 O ALA A 44 28.792 -12.171 -10.448 1.00 0.00 O ATOM 665 CB ALA A 44 26.932 -14.014 -11.570 1.00 0.00 C ATOM 0 H ALA A 44 25.436 -12.239 -12.632 1.00 0.00 H new ATOM 0 HA ALA A 44 26.152 -12.955 -9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.757 -14.459 -11.014 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.094 -14.711 -11.595 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.256 -13.799 -12.588 1.00 0.00 H new ATOM 671 N GLU A 45 27.425 -10.486 -11.047 1.00 0.00 N ATOM 672 CA GLU A 45 28.468 -9.469 -10.974 1.00 0.00 C ATOM 673 C GLU A 45 27.936 -8.190 -10.335 1.00 0.00 C ATOM 674 O GLU A 45 28.440 -7.097 -10.596 1.00 0.00 O ATOM 675 CB GLU A 45 29.013 -9.166 -12.371 1.00 0.00 C ATOM 676 CG GLU A 45 28.047 -8.384 -13.245 1.00 0.00 C ATOM 677 CD GLU A 45 28.568 -8.184 -14.655 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.511 -9.146 -15.449 1.00 0.00 O ATOM 679 OE2 GLU A 45 29.031 -7.067 -14.965 1.00 0.00 O ATOM 0 H GLU A 45 26.508 -10.132 -11.319 1.00 0.00 H new ATOM 0 HA GLU A 45 29.276 -9.856 -10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.941 -8.602 -12.275 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.260 -10.105 -12.867 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.093 -8.909 -13.285 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.857 -7.412 -12.790 1.00 0.00 H new ATOM 686 N ILE A 46 26.915 -8.334 -9.497 1.00 0.00 N ATOM 687 CA ILE A 46 26.315 -7.191 -8.820 1.00 0.00 C ATOM 688 C ILE A 46 26.445 -7.318 -7.306 1.00 0.00 C ATOM 689 O ILE A 46 26.606 -6.323 -6.600 1.00 0.00 O ATOM 690 CB ILE A 46 24.827 -7.037 -9.186 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.176 -8.412 -9.351 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.677 -6.217 -10.458 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.730 -8.452 -8.910 1.00 0.00 C ATOM 0 H ILE A 46 26.486 -9.231 -9.271 1.00 0.00 H new ATOM 0 HA ILE A 46 26.856 -6.306 -9.155 1.00 0.00 H new ATOM 0 HB ILE A 46 24.321 -6.511 -8.377 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.237 -8.711 -10.398 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.743 -9.145 -8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.620 -6.117 -10.704 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.110 -5.228 -10.306 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.194 -6.718 -11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.333 -9.457 -9.055 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.664 -8.184 -7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.150 -7.744 -9.501 1.00 0.00 H new ATOM 705 N ASP A 47 26.374 -8.550 -6.813 1.00 0.00 N ATOM 706 CA ASP A 47 26.486 -8.809 -5.383 1.00 0.00 C ATOM 707 C ASP A 47 26.624 -10.304 -5.110 1.00 0.00 C ATOM 708 O ASP A 47 27.654 -10.764 -4.617 1.00 0.00 O ATOM 709 CB ASP A 47 25.266 -8.255 -4.645 1.00 0.00 C ATOM 710 CG ASP A 47 25.649 -7.364 -3.480 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.633 -7.689 -2.782 1.00 0.00 O ATOM 712 OD2 ASP A 47 24.966 -6.340 -3.267 1.00 0.00 O ATOM 0 H ASP A 47 26.239 -9.385 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 47 27.382 -8.306 -5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.649 -7.690 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.658 -9.083 -4.281 1.00 0.00 H new ATOM 717 N THR A 48 25.578 -11.059 -5.434 1.00 0.00 N ATOM 718 CA THR A 48 25.582 -12.501 -5.222 1.00 0.00 C ATOM 719 C THR A 48 26.863 -13.132 -5.756 1.00 0.00 C ATOM 720 O THR A 48 27.596 -12.513 -6.528 1.00 0.00 O ATOM 721 CB THR A 48 24.372 -13.171 -5.900 1.00 0.00 C ATOM 722 OG1 THR A 48 24.393 -14.582 -5.656 1.00 0.00 O ATOM 723 CG2 THR A 48 24.379 -12.910 -7.399 1.00 0.00 C ATOM 0 H THR A 48 24.718 -10.695 -5.844 1.00 0.00 H new ATOM 0 HA THR A 48 25.522 -12.663 -4.146 1.00 0.00 H new ATOM 0 HB THR A 48 23.463 -12.743 -5.477 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.895 -15.030 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.515 -13.393 -7.856 1.00 0.00 H new ATOM 0 HG22 THR A 48 24.334 -11.836 -7.582 1.00 0.00 H new ATOM 0 HG23 THR A 48 25.293 -13.314 -7.834 1.00 0.00 H new ATOM 731 N ASP A 49 27.127 -14.366 -5.340 1.00 0.00 N ATOM 732 CA ASP A 49 28.320 -15.081 -5.778 1.00 0.00 C ATOM 733 C ASP A 49 28.085 -16.588 -5.763 1.00 0.00 C ATOM 734 O ASP A 49 28.543 -17.307 -6.650 1.00 0.00 O ATOM 735 CB ASP A 49 29.509 -14.728 -4.884 1.00 0.00 C ATOM 736 CG ASP A 49 29.081 -14.113 -3.567 1.00 0.00 C ATOM 737 OD1 ASP A 49 28.710 -12.920 -3.561 1.00 0.00 O ATOM 738 OD2 ASP A 49 29.115 -14.824 -2.541 1.00 0.00 O ATOM 0 H ASP A 49 26.531 -14.892 -4.700 1.00 0.00 H new ATOM 0 HA ASP A 49 28.542 -14.776 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 49 30.093 -15.628 -4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.162 -14.033 -5.411 1.00 0.00 H new ATOM 743 N GLY A 50 27.369 -17.061 -4.747 1.00 0.00 N ATOM 744 CA GLY A 50 27.088 -18.480 -4.634 1.00 0.00 C ATOM 745 C GLY A 50 26.214 -18.989 -5.764 1.00 0.00 C ATOM 746 O GLY A 50 26.312 -18.515 -6.896 1.00 0.00 O ATOM 0 H GLY A 50 26.979 -16.486 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 50 28.027 -19.034 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 50 26.595 -18.675 -3.681 1.00 0.00 H new ATOM 750 N ASP A 51 25.360 -19.959 -5.457 1.00 0.00 N ATOM 751 CA ASP A 51 24.466 -20.534 -6.456 1.00 0.00 C ATOM 752 C ASP A 51 23.737 -19.438 -7.228 1.00 0.00 C ATOM 753 O ASP A 51 23.506 -19.561 -8.430 1.00 0.00 O ATOM 754 CB ASP A 51 23.452 -21.465 -5.788 1.00 0.00 C ATOM 755 CG ASP A 51 24.098 -22.714 -5.223 1.00 0.00 C ATOM 756 OD1 ASP A 51 24.896 -23.349 -5.945 1.00 0.00 O ATOM 757 OD2 ASP A 51 23.808 -23.057 -4.058 1.00 0.00 O ATOM 0 H ASP A 51 25.268 -20.364 -4.525 1.00 0.00 H new ATOM 0 HA ASP A 51 25.068 -21.109 -7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 51 22.943 -20.929 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 51 22.691 -21.750 -6.515 1.00 0.00 H new ATOM 762 N GLY A 52 23.376 -18.367 -6.527 1.00 0.00 N ATOM 763 CA GLY A 52 22.677 -17.266 -7.163 1.00 0.00 C ATOM 764 C GLY A 52 21.444 -16.839 -6.391 1.00 0.00 C ATOM 765 O GLY A 52 20.322 -16.956 -6.884 1.00 0.00 O ATOM 0 H GLY A 52 23.555 -18.243 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 52 23.354 -16.417 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.387 -17.558 -8.172 1.00 0.00 H new ATOM 769 N PHE A 53 21.652 -16.344 -5.175 1.00 0.00 N ATOM 770 CA PHE A 53 20.548 -15.901 -4.332 1.00 0.00 C ATOM 771 C PHE A 53 20.909 -14.615 -3.594 1.00 0.00 C ATOM 772 O PHE A 53 22.049 -14.152 -3.655 1.00 0.00 O ATOM 773 CB PHE A 53 20.177 -16.993 -3.325 1.00 0.00 C ATOM 774 CG PHE A 53 19.612 -18.229 -3.963 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.445 -19.149 -4.580 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.248 -18.472 -3.946 1.00 0.00 C ATOM 777 CE1 PHE A 53 19.929 -20.289 -5.167 1.00 0.00 C ATOM 778 CE2 PHE A 53 17.726 -19.610 -4.532 1.00 0.00 C ATOM 779 CZ PHE A 53 18.567 -20.519 -5.144 1.00 0.00 C ATOM 0 H PHE A 53 22.574 -16.240 -4.752 1.00 0.00 H new ATOM 0 HA PHE A 53 19.690 -15.702 -4.975 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.063 -17.263 -2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.449 -16.593 -2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.510 -18.973 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.585 -17.765 -3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.589 -20.999 -5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.661 -19.788 -4.511 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.161 -21.408 -5.604 1.00 0.00 H new ATOM 789 N ILE A 54 19.931 -14.044 -2.900 1.00 0.00 N ATOM 790 CA ILE A 54 20.146 -12.812 -2.151 1.00 0.00 C ATOM 791 C ILE A 54 19.200 -12.722 -0.958 1.00 0.00 C ATOM 792 O ILE A 54 17.998 -12.957 -1.086 1.00 0.00 O ATOM 793 CB ILE A 54 19.950 -11.570 -3.041 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.641 -11.679 -3.826 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.130 -11.406 -3.988 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.439 -10.559 -4.822 1.00 0.00 C ATOM 0 H ILE A 54 18.982 -14.414 -2.841 1.00 0.00 H new ATOM 0 HA ILE A 54 21.176 -12.835 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 54 19.896 -10.688 -2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.622 -12.632 -4.354 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.806 -11.686 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.977 -10.524 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.047 -11.288 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.213 -12.288 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.491 -10.701 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.426 -9.604 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.254 -10.564 -5.546 1.00 0.00 H new ATOM 808 N ASP A 55 19.750 -12.379 0.202 1.00 0.00 N ATOM 809 CA ASP A 55 18.955 -12.254 1.418 1.00 0.00 C ATOM 810 C ASP A 55 18.077 -11.008 1.368 1.00 0.00 C ATOM 811 O ASP A 55 16.852 -11.095 1.453 1.00 0.00 O ATOM 812 CB ASP A 55 19.867 -12.203 2.645 1.00 0.00 C ATOM 813 CG ASP A 55 19.115 -11.836 3.910 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.166 -12.564 4.267 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.476 -10.821 4.541 1.00 0.00 O ATOM 0 H ASP A 55 20.743 -12.183 0.326 1.00 0.00 H new ATOM 0 HA ASP A 55 18.308 -13.128 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.346 -13.173 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.661 -11.476 2.474 1.00 0.00 H new ATOM 820 N PHE A 56 18.712 -9.848 1.232 1.00 0.00 N ATOM 821 CA PHE A 56 17.989 -8.584 1.173 1.00 0.00 C ATOM 822 C PHE A 56 18.914 -7.447 0.748 1.00 0.00 C ATOM 823 O PHE A 56 18.621 -6.714 -0.195 1.00 0.00 O ATOM 824 CB PHE A 56 17.363 -8.266 2.533 1.00 0.00 C ATOM 825 CG PHE A 56 16.525 -7.019 2.531 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.671 -6.745 1.475 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.591 -6.122 3.585 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.900 -5.598 1.470 1.00 0.00 C ATOM 829 CE2 PHE A 56 15.822 -4.974 3.586 1.00 0.00 C ATOM 830 CZ PHE A 56 14.974 -4.712 2.527 1.00 0.00 C ATOM 0 H PHE A 56 19.726 -9.758 1.161 1.00 0.00 H new ATOM 0 HA PHE A 56 17.197 -8.682 0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.746 -9.108 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.156 -8.160 3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.607 -7.435 0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.251 -6.323 4.416 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.240 -5.395 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.884 -4.283 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.370 -3.816 2.526 1.00 0.00 H new ATOM 840 N ASN A 57 20.032 -7.308 1.453 1.00 0.00 N ATOM 841 CA ASN A 57 21.001 -6.260 1.151 1.00 0.00 C ATOM 842 C ASN A 57 21.387 -6.286 -0.325 1.00 0.00 C ATOM 843 O ASN A 57 21.441 -5.246 -0.980 1.00 0.00 O ATOM 844 CB ASN A 57 22.249 -6.425 2.019 1.00 0.00 C ATOM 845 CG ASN A 57 22.845 -5.094 2.435 1.00 0.00 C ATOM 846 OD1 ASN A 57 23.997 -4.793 2.125 1.00 0.00 O ATOM 847 ND2 ASN A 57 22.059 -4.290 3.142 1.00 0.00 N ATOM 0 H ASN A 57 20.290 -7.907 2.237 1.00 0.00 H new ATOM 0 HA ASN A 57 20.539 -5.298 1.371 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.995 -7.000 2.909 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.996 -6.999 1.471 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.404 -3.381 3.451 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.110 -4.581 3.376 1.00 0.00 H new ATOM 854 N GLU A 58 21.653 -7.482 -0.841 1.00 0.00 N ATOM 855 CA GLU A 58 22.034 -7.642 -2.239 1.00 0.00 C ATOM 856 C GLU A 58 20.830 -7.452 -3.156 1.00 0.00 C ATOM 857 O GLU A 58 20.977 -7.123 -4.333 1.00 0.00 O ATOM 858 CB GLU A 58 22.651 -9.024 -2.467 1.00 0.00 C ATOM 859 CG GLU A 58 23.950 -9.243 -1.711 1.00 0.00 C ATOM 860 CD GLU A 58 23.781 -10.158 -0.513 1.00 0.00 C ATOM 861 OE1 GLU A 58 22.847 -9.927 0.283 1.00 0.00 O ATOM 862 OE2 GLU A 58 24.583 -11.104 -0.373 1.00 0.00 O ATOM 0 H GLU A 58 21.612 -8.353 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 58 22.774 -6.878 -2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.933 -9.787 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.834 -9.160 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.692 -9.669 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 58 24.338 -8.281 -1.377 1.00 0.00 H new ATOM 869 N PHE A 59 19.637 -7.664 -2.609 1.00 0.00 N ATOM 870 CA PHE A 59 18.406 -7.518 -3.377 1.00 0.00 C ATOM 871 C PHE A 59 18.072 -6.045 -3.594 1.00 0.00 C ATOM 872 O PHE A 59 17.549 -5.665 -4.642 1.00 0.00 O ATOM 873 CB PHE A 59 17.248 -8.215 -2.661 1.00 0.00 C ATOM 874 CG PHE A 59 15.895 -7.720 -3.087 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.349 -8.113 -4.298 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.170 -6.863 -2.276 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.105 -7.659 -4.693 1.00 0.00 C ATOM 878 CE2 PHE A 59 13.925 -6.405 -2.665 1.00 0.00 C ATOM 879 CZ PHE A 59 13.391 -6.805 -3.875 1.00 0.00 C ATOM 0 H PHE A 59 19.497 -7.938 -1.636 1.00 0.00 H new ATOM 0 HA PHE A 59 18.556 -7.985 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.309 -9.287 -2.847 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.357 -8.071 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.902 -8.782 -4.941 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.582 -6.549 -1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.691 -7.972 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.371 -5.736 -2.024 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.418 -6.451 -4.181 1.00 0.00 H new ATOM 889 N ILE A 60 18.377 -5.222 -2.597 1.00 0.00 N ATOM 890 CA ILE A 60 18.110 -3.791 -2.679 1.00 0.00 C ATOM 891 C ILE A 60 19.179 -3.079 -3.500 1.00 0.00 C ATOM 892 O ILE A 60 18.907 -2.069 -4.150 1.00 0.00 O ATOM 893 CB ILE A 60 18.041 -3.151 -1.280 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.906 -3.774 -0.465 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.853 -1.645 -1.396 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.528 -3.397 -0.962 1.00 0.00 C ATOM 0 H ILE A 60 18.809 -5.521 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 60 17.143 -3.677 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 60 18.981 -3.342 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.007 -4.859 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 60 17.005 -3.466 0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.806 -1.206 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.692 -1.215 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.926 -1.434 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.773 -3.874 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.407 -2.315 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.409 -3.730 -1.993 1.00 0.00 H new ATOM 908 N SER A 61 20.396 -3.611 -3.467 1.00 0.00 N ATOM 909 CA SER A 61 21.508 -3.025 -4.206 1.00 0.00 C ATOM 910 C SER A 61 21.137 -2.819 -5.672 1.00 0.00 C ATOM 911 O SER A 61 21.178 -1.700 -6.183 1.00 0.00 O ATOM 912 CB SER A 61 22.745 -3.919 -4.103 1.00 0.00 C ATOM 913 OG SER A 61 23.864 -3.317 -4.730 1.00 0.00 O ATOM 0 H SER A 61 20.637 -4.448 -2.936 1.00 0.00 H new ATOM 0 HA SER A 61 21.733 -2.054 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.972 -4.111 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.540 -4.884 -4.567 1.00 0.00 H new ATOM 0 HG SER A 61 24.642 -3.908 -4.649 1.00 0.00 H new ATOM 919 N PHE A 62 20.774 -3.908 -6.343 1.00 0.00 N ATOM 920 CA PHE A 62 20.396 -3.848 -7.750 1.00 0.00 C ATOM 921 C PHE A 62 19.023 -3.205 -7.917 1.00 0.00 C ATOM 922 O PHE A 62 18.638 -2.817 -9.021 1.00 0.00 O ATOM 923 CB PHE A 62 20.392 -5.252 -8.359 1.00 0.00 C ATOM 924 CG PHE A 62 19.056 -5.663 -8.909 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.052 -6.108 -8.065 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.805 -5.604 -10.270 1.00 0.00 C ATOM 927 CE1 PHE A 62 16.821 -6.486 -8.568 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.577 -5.981 -10.779 1.00 0.00 C ATOM 929 CZ PHE A 62 16.584 -6.423 -9.927 1.00 0.00 C ATOM 0 H PHE A 62 20.734 -4.842 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 62 21.131 -3.235 -8.272 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.133 -5.295 -9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.699 -5.970 -7.599 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.233 -6.160 -7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.578 -5.259 -10.941 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.046 -6.830 -7.899 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.394 -5.930 -11.842 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.624 -6.719 -10.323 1.00 0.00 H new ATOM 939 N CYS A 63 18.290 -3.095 -6.815 1.00 0.00 N ATOM 940 CA CYS A 63 16.958 -2.500 -6.839 1.00 0.00 C ATOM 941 C CYS A 63 17.043 -0.977 -6.847 1.00 0.00 C ATOM 942 O CYS A 63 16.504 -0.311 -5.964 1.00 0.00 O ATOM 943 CB CYS A 63 16.144 -2.972 -5.633 1.00 0.00 C ATOM 944 SG CYS A 63 14.393 -2.527 -5.705 1.00 0.00 S ATOM 0 H CYS A 63 18.595 -3.410 -5.894 1.00 0.00 H new ATOM 0 HA CYS A 63 16.459 -2.822 -7.753 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.229 -4.056 -5.552 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.578 -2.549 -4.727 1.00 0.00 H new ATOM 0 HG CYS A 63 13.670 -3.607 -5.684 1.00 0.00 H new ATOM 950 N ASN A 64 17.725 -0.433 -7.849 1.00 0.00 N ATOM 951 CA ASN A 64 17.883 1.012 -7.970 1.00 0.00 C ATOM 952 C ASN A 64 16.530 1.714 -7.916 1.00 0.00 C ATOM 953 O ASN A 64 16.390 2.768 -7.297 1.00 0.00 O ATOM 954 CB ASN A 64 18.598 1.360 -9.278 1.00 0.00 C ATOM 955 CG ASN A 64 19.839 0.517 -9.500 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.567 0.202 -8.558 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.086 0.147 -10.751 1.00 0.00 N ATOM 0 H ASN A 64 18.177 -0.970 -8.589 1.00 0.00 H new ATOM 0 HA ASN A 64 18.486 1.358 -7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 64 17.912 1.218 -10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.875 2.414 -9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 64 20.906 -0.421 -10.962 1.00 0.00 H new ATOM 0 HD22 ASN A 64 19.455 0.431 -11.501 1.00 0.00 H new ATOM 964 N ALA A 65 15.535 1.120 -8.568 1.00 0.00 N ATOM 965 CA ALA A 65 14.192 1.686 -8.592 1.00 0.00 C ATOM 966 C ALA A 65 14.230 3.176 -8.915 1.00 0.00 C ATOM 967 O ALA A 65 13.439 3.956 -8.386 1.00 0.00 O ATOM 968 CB ALA A 65 13.496 1.451 -7.260 1.00 0.00 C ATOM 0 H ALA A 65 15.634 0.247 -9.086 1.00 0.00 H new ATOM 0 HA ALA A 65 13.627 1.184 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.494 1.879 -7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.427 0.380 -7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.067 1.925 -6.462 1.00 0.00 H new ATOM 974 N ASN A 66 15.156 3.565 -9.786 1.00 0.00 N ATOM 975 CA ASN A 66 15.297 4.962 -10.178 1.00 0.00 C ATOM 976 C ASN A 66 14.338 5.309 -11.313 1.00 0.00 C ATOM 977 O ASN A 66 13.421 6.116 -11.160 1.00 0.00 O ATOM 978 CB ASN A 66 16.738 5.250 -10.607 1.00 0.00 C ATOM 979 CG ASN A 66 17.499 6.056 -9.571 1.00 0.00 C ATOM 980 OD1 ASN A 66 17.524 7.285 -9.621 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.124 5.363 -8.626 1.00 0.00 N ATOM 0 H ASN A 66 15.819 2.932 -10.233 1.00 0.00 H new ATOM 0 HA ASN A 66 15.050 5.582 -9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.257 4.308 -10.784 1.00 0.00 H new ATOM 0 HB3 ASN A 66 16.731 5.792 -11.552 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.652 5.850 -7.902 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.076 4.344 -8.624 1.00 0.00 H new ATOM 988 N PRO A 67 14.554 4.684 -12.481 1.00 0.00 N ATOM 989 CA PRO A 67 13.719 4.909 -13.664 1.00 0.00 C ATOM 990 C PRO A 67 12.316 4.333 -13.502 1.00 0.00 C ATOM 991 O PRO A 67 11.337 4.919 -13.961 1.00 0.00 O ATOM 992 CB PRO A 67 14.473 4.175 -14.776 1.00 0.00 C ATOM 993 CG PRO A 67 15.259 3.124 -14.070 1.00 0.00 C ATOM 994 CD PRO A 67 15.628 3.710 -12.735 1.00 0.00 C ATOM 0 HA PRO A 67 13.569 5.971 -13.861 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.785 3.736 -15.498 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.124 4.853 -15.327 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.672 2.214 -13.948 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.150 2.855 -14.638 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.669 2.946 -11.959 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.607 4.189 -12.763 1.00 0.00 H new ATOM 1002 N GLY A 68 12.227 3.180 -12.847 1.00 0.00 N ATOM 1003 CA GLY A 68 10.940 2.544 -12.636 1.00 0.00 C ATOM 1004 C GLY A 68 10.969 1.060 -12.943 1.00 0.00 C ATOM 1005 O GLY A 68 10.000 0.507 -13.465 1.00 0.00 O ATOM 0 H GLY A 68 13.023 2.675 -12.459 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.631 2.692 -11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.192 3.027 -13.265 1.00 0.00 H new ATOM 1009 N LEU A 69 12.083 0.412 -12.620 1.00 0.00 N ATOM 1010 CA LEU A 69 12.236 -1.018 -12.866 1.00 0.00 C ATOM 1011 C LEU A 69 11.652 -1.833 -11.716 1.00 0.00 C ATOM 1012 O LEU A 69 11.133 -2.930 -11.922 1.00 0.00 O ATOM 1013 CB LEU A 69 13.713 -1.367 -13.056 1.00 0.00 C ATOM 1014 CG LEU A 69 14.655 -0.938 -11.930 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.639 -2.050 -11.604 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.394 0.337 -12.311 1.00 0.00 C ATOM 0 H LEU A 69 12.894 0.854 -12.187 1.00 0.00 H new ATOM 0 HA LEU A 69 11.691 -1.266 -13.777 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.797 -2.446 -13.181 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.057 -0.910 -13.984 1.00 0.00 H new ATOM 0 HG LEU A 69 14.059 -0.737 -11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.301 -1.726 -10.801 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.092 -2.938 -11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.230 -2.284 -12.489 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.060 0.628 -11.499 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.978 0.163 -13.214 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.674 1.134 -12.493 1.00 0.00 H new ATOM 1028 N MET A 70 11.740 -1.289 -10.507 1.00 0.00 N ATOM 1029 CA MET A 70 11.217 -1.965 -9.326 1.00 0.00 C ATOM 1030 C MET A 70 10.133 -1.127 -8.655 1.00 0.00 C ATOM 1031 O MET A 70 9.312 -1.646 -7.898 1.00 0.00 O ATOM 1032 CB MET A 70 12.346 -2.249 -8.333 1.00 0.00 C ATOM 1033 CG MET A 70 13.640 -2.695 -8.995 1.00 0.00 C ATOM 1034 SD MET A 70 13.858 -4.484 -8.958 1.00 0.00 S ATOM 1035 CE MET A 70 12.216 -5.035 -9.413 1.00 0.00 C ATOM 0 H MET A 70 12.168 -0.382 -10.319 1.00 0.00 H new ATOM 0 HA MET A 70 10.776 -2.910 -9.644 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.538 -1.350 -7.747 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.020 -3.020 -7.635 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.651 -2.353 -10.030 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.483 -2.220 -8.493 1.00 0.00 H new ATOM 0 HE1 MET A 70 12.225 -6.113 -9.572 1.00 0.00 H new ATOM 0 HE2 MET A 70 11.516 -4.792 -8.613 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.906 -4.535 -10.331 1.00 0.00 H new ATOM 1045 N LYS A 71 10.136 0.171 -8.937 1.00 0.00 N ATOM 1046 CA LYS A 71 9.153 1.082 -8.362 1.00 0.00 C ATOM 1047 C LYS A 71 7.852 1.052 -9.159 1.00 0.00 C ATOM 1048 O LYS A 71 6.769 1.235 -8.603 1.00 0.00 O ATOM 1049 CB LYS A 71 9.708 2.508 -8.325 1.00 0.00 C ATOM 1050 CG LYS A 71 8.857 3.471 -7.515 1.00 0.00 C ATOM 1051 CD LYS A 71 9.489 4.851 -7.447 1.00 0.00 C ATOM 1052 CE LYS A 71 9.001 5.628 -6.234 1.00 0.00 C ATOM 1053 NZ LYS A 71 9.613 6.984 -6.161 1.00 0.00 N ATOM 0 H LYS A 71 10.809 0.616 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 71 8.943 0.754 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.715 2.486 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.794 2.882 -9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.865 3.545 -7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.724 3.080 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.574 4.754 -7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.253 5.406 -8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.916 5.721 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.239 5.073 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.255 7.482 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.647 6.895 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.365 7.523 -7.015 1.00 0.00 H new ATOM 1067 N ASP A 72 7.967 0.818 -10.461 1.00 0.00 N ATOM 1068 CA ASP A 72 6.800 0.761 -11.334 1.00 0.00 C ATOM 1069 C ASP A 72 6.481 -0.680 -11.722 1.00 0.00 C ATOM 1070 O ASP A 72 6.037 -0.949 -12.838 1.00 0.00 O ATOM 1071 CB ASP A 72 7.034 1.601 -12.590 1.00 0.00 C ATOM 1072 CG ASP A 72 6.697 3.064 -12.380 1.00 0.00 C ATOM 1073 OD1 ASP A 72 5.695 3.349 -11.692 1.00 0.00 O ATOM 1074 OD2 ASP A 72 7.437 3.924 -12.903 1.00 0.00 O ATOM 0 H ASP A 72 8.857 0.665 -10.936 1.00 0.00 H new ATOM 0 HA ASP A 72 5.949 1.168 -10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.077 1.512 -12.894 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.429 1.205 -13.406 1.00 0.00 H new ATOM 1079 N VAL A 73 6.712 -1.602 -10.793 1.00 0.00 N ATOM 1080 CA VAL A 73 6.450 -3.015 -11.037 1.00 0.00 C ATOM 1081 C VAL A 73 5.676 -3.639 -9.881 1.00 0.00 C ATOM 1082 O VAL A 73 4.885 -4.562 -10.076 1.00 0.00 O ATOM 1083 CB VAL A 73 7.758 -3.801 -11.248 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.115 -4.589 -9.997 1.00 0.00 C ATOM 1085 CG2 VAL A 73 7.637 -4.722 -12.452 1.00 0.00 C ATOM 0 H VAL A 73 7.080 -1.396 -9.864 1.00 0.00 H new ATOM 0 HA VAL A 73 5.850 -3.072 -11.945 1.00 0.00 H new ATOM 0 HB VAL A 73 8.562 -3.091 -11.442 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.042 -5.138 -10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.246 -3.903 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.314 -5.292 -9.768 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.570 -5.270 -12.586 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.822 -5.428 -12.290 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.432 -4.130 -13.344 1.00 0.00 H new ATOM 1095 N ALA A 74 5.908 -3.127 -8.677 1.00 0.00 N ATOM 1096 CA ALA A 74 5.231 -3.632 -7.489 1.00 0.00 C ATOM 1097 C ALA A 74 3.716 -3.538 -7.639 1.00 0.00 C ATOM 1098 O ALA A 74 2.969 -4.226 -6.943 1.00 0.00 O ATOM 1099 CB ALA A 74 5.690 -2.868 -6.255 1.00 0.00 C ATOM 0 H ALA A 74 6.560 -2.363 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 74 5.494 -4.683 -7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.176 -3.256 -5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.766 -2.991 -6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.457 -1.810 -6.375 1.00 0.00 H new ATOM 1105 N LYS A 75 3.269 -2.681 -8.550 1.00 0.00 N ATOM 1106 CA LYS A 75 1.843 -2.496 -8.792 1.00 0.00 C ATOM 1107 C LYS A 75 1.422 -3.165 -10.097 1.00 0.00 C ATOM 1108 O LYS A 75 0.232 -3.278 -10.392 1.00 0.00 O ATOM 1109 CB LYS A 75 1.501 -1.005 -8.837 1.00 0.00 C ATOM 1110 CG LYS A 75 2.444 -0.191 -9.706 1.00 0.00 C ATOM 1111 CD LYS A 75 2.049 -0.255 -11.171 1.00 0.00 C ATOM 1112 CE LYS A 75 0.720 0.442 -11.421 1.00 0.00 C ATOM 1113 NZ LYS A 75 0.853 1.554 -12.402 1.00 0.00 N ATOM 0 H LYS A 75 3.874 -2.103 -9.133 1.00 0.00 H new ATOM 0 HA LYS A 75 1.297 -2.963 -7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.483 -0.885 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.519 -0.606 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.442 0.847 -9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.462 -0.562 -9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.825 0.210 -11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.980 -1.296 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.006 -0.282 -11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.332 0.832 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.074 2.003 -12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.527 2.258 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.199 1.178 -13.308 1.00 0.00 H new ATOM 1127 N VAL A 76 2.405 -3.606 -10.875 1.00 0.00 N ATOM 1128 CA VAL A 76 2.136 -4.266 -12.147 1.00 0.00 C ATOM 1129 C VAL A 76 1.972 -5.771 -11.962 1.00 0.00 C ATOM 1130 O VAL A 76 2.388 -6.331 -10.948 1.00 0.00 O ATOM 1131 CB VAL A 76 3.263 -4.005 -13.164 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.829 -4.421 -14.561 1.00 0.00 C ATOM 1133 CG2 VAL A 76 3.674 -2.540 -13.139 1.00 0.00 C ATOM 0 H VAL A 76 3.395 -3.518 -10.647 1.00 0.00 H new ATOM 0 HA VAL A 76 1.206 -3.847 -12.531 1.00 0.00 H new ATOM 0 HB VAL A 76 4.128 -4.607 -12.884 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.638 -4.229 -15.266 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.588 -5.484 -14.566 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.949 -3.848 -14.854 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.471 -2.373 -13.863 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.816 -1.917 -13.393 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.029 -2.279 -12.142 1.00 0.00 H new ATOM 1143 N PHE A 77 1.364 -6.420 -12.949 1.00 0.00 N ATOM 1144 CA PHE A 77 1.144 -7.860 -12.896 1.00 0.00 C ATOM 1145 C PHE A 77 1.888 -8.566 -14.026 1.00 0.00 C ATOM 1146 O PHE A 77 1.872 -9.793 -14.121 1.00 0.00 O ATOM 1147 CB PHE A 77 -0.352 -8.173 -12.981 1.00 0.00 C ATOM 1148 CG PHE A 77 -0.934 -7.949 -14.347 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -1.313 -6.680 -14.754 1.00 0.00 C ATOM 1150 CD2 PHE A 77 -1.102 -9.008 -15.225 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -1.849 -6.472 -16.011 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -1.638 -8.806 -16.483 1.00 0.00 C ATOM 1153 CZ PHE A 77 -2.011 -7.536 -16.877 1.00 0.00 C ATOM 0 H PHE A 77 1.015 -5.971 -13.796 1.00 0.00 H new ATOM 0 HA PHE A 77 1.531 -8.226 -11.945 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.515 -9.211 -12.691 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.886 -7.553 -12.261 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.188 -5.844 -14.082 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.811 -10.003 -14.923 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.141 -5.478 -16.316 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.765 -9.640 -17.157 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.428 -7.375 -17.860 1.00 0.00 H new TER 1163 PHE A 77