USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 518 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 1 SER OG : rot 180:sc= 0.285 USER MOD Set 1.2: A 2 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 1 SER N :NH3+ -154:sc= 0.0258 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= -0.121 (180deg=-0.613) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -7.45! K(o=-7.5!,f=-0.19) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 95:sc= 0.536 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 171:sc= -0.595 USER MOD Single : A 36 GLN : amide:sc= -17.8! C(o=-18!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.416 K(o=-0.42,f=-1.8!) USER MOD Single : A 55 ASN : amide:sc= -10.2! C(o=-10!,f=-8.2!) USER MOD Single : A 60 THR OG1 : rot -97:sc= 0.418 USER MOD Single : A 61 SER OG : rot 170:sc= -2.14! USER MOD Single : A 62 CYS SG : rot -51:sc= -3.42! USER MOD Single : A 65 LYS NZ :NH3+ -106:sc= -1.25 (180deg=-1.81) USER MOD Single : A 66 MET CE :methyl -122:sc= -0.137 (180deg=-0.814) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.371 -10.949 -1.028 1.00 0.00 N ATOM 2 CA SER A 1 -8.782 -11.000 -0.555 1.00 0.00 C ATOM 3 C SER A 1 -9.108 -9.720 0.218 1.00 0.00 C ATOM 4 O SER A 1 -9.786 -8.840 -0.274 1.00 0.00 O ATOM 5 CB SER A 1 -8.971 -12.210 0.360 1.00 0.00 C ATOM 6 OG SER A 1 -8.032 -12.146 1.424 1.00 0.00 O ATOM 0 H1 SER A 1 -7.267 -11.542 -1.876 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.118 -9.967 -1.259 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.741 -11.302 -0.280 1.00 0.00 H new ATOM 0 HA SER A 1 -9.449 -11.086 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.986 -12.225 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.835 -13.132 -0.205 1.00 0.00 H new ATOM 0 HG SER A 1 -8.152 -12.920 2.013 1.00 0.00 H new ATOM 11 N SER A 2 -8.626 -9.607 1.427 1.00 0.00 N ATOM 12 CA SER A 2 -8.908 -8.382 2.229 1.00 0.00 C ATOM 13 C SER A 2 -7.944 -7.272 1.821 1.00 0.00 C ATOM 14 O SER A 2 -7.649 -6.383 2.592 1.00 0.00 O ATOM 15 CB SER A 2 -8.718 -8.691 3.719 1.00 0.00 C ATOM 16 OG SER A 2 -8.354 -10.058 3.872 1.00 0.00 O ATOM 0 H SER A 2 -8.050 -10.309 1.893 1.00 0.00 H new ATOM 0 HA SER A 2 -9.934 -8.061 2.048 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.946 -8.048 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.638 -8.484 4.266 1.00 0.00 H new ATOM 0 HG SER A 2 -8.230 -10.259 4.823 1.00 0.00 H new ATOM 22 N ALA A 3 -7.444 -7.308 0.620 1.00 0.00 N ATOM 23 CA ALA A 3 -6.499 -6.244 0.194 1.00 0.00 C ATOM 24 C ALA A 3 -7.274 -4.977 -0.149 1.00 0.00 C ATOM 25 O ALA A 3 -6.797 -3.875 0.040 1.00 0.00 O ATOM 26 CB ALA A 3 -5.715 -6.706 -1.025 1.00 0.00 C ATOM 0 H ALA A 3 -7.647 -8.022 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.806 -6.036 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.024 -5.921 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.154 -7.607 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.405 -6.922 -1.841 1.00 0.00 H new ATOM 32 N LYS A 4 -8.478 -5.116 -0.625 1.00 0.00 N ATOM 33 CA LYS A 4 -9.285 -3.912 -0.944 1.00 0.00 C ATOM 34 C LYS A 4 -9.853 -3.389 0.373 1.00 0.00 C ATOM 35 O LYS A 4 -9.922 -2.200 0.612 1.00 0.00 O ATOM 36 CB LYS A 4 -10.411 -4.291 -1.916 1.00 0.00 C ATOM 37 CG LYS A 4 -11.623 -3.381 -1.696 1.00 0.00 C ATOM 38 CD LYS A 4 -12.559 -3.459 -2.908 1.00 0.00 C ATOM 39 CE LYS A 4 -11.984 -2.647 -4.074 1.00 0.00 C ATOM 40 NZ LYS A 4 -13.091 -2.256 -4.994 1.00 0.00 N ATOM 0 H LYS A 4 -8.936 -6.009 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.680 -3.142 -1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.060 -4.201 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.696 -5.332 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.156 -3.682 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.294 -2.353 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.690 -4.498 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.545 -3.078 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.477 -1.758 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.240 -3.236 -4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.705 -1.705 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.556 -3.111 -5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.785 -1.679 -4.477 1.00 0.00 H new ATOM 54 N ARG A 5 -10.238 -4.285 1.240 1.00 0.00 N ATOM 55 CA ARG A 5 -10.782 -3.875 2.562 1.00 0.00 C ATOM 56 C ARG A 5 -9.710 -3.090 3.313 1.00 0.00 C ATOM 57 O ARG A 5 -9.937 -1.997 3.792 1.00 0.00 O ATOM 58 CB ARG A 5 -11.112 -5.131 3.366 1.00 0.00 C ATOM 59 CG ARG A 5 -11.911 -4.753 4.617 1.00 0.00 C ATOM 60 CD ARG A 5 -11.850 -5.901 5.636 1.00 0.00 C ATOM 61 NE ARG A 5 -13.201 -6.121 6.238 1.00 0.00 N ATOM 62 CZ ARG A 5 -13.939 -5.115 6.630 1.00 0.00 C ATOM 63 NH1 ARG A 5 -13.475 -3.897 6.580 1.00 0.00 N ATOM 64 NH2 ARG A 5 -15.138 -5.334 7.097 1.00 0.00 N ATOM 0 H ARG A 5 -10.198 -5.292 1.086 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.674 -3.264 2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.686 -5.826 2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.193 -5.643 3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.507 -3.841 5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.947 -4.546 4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.507 -6.813 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.128 -5.666 6.418 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.553 -7.072 6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.531 -3.725 6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.056 -3.117 6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.496 -6.287 7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.717 -4.552 7.404 1.00 0.00 H new ATOM 78 N VAL A 6 -8.538 -3.651 3.414 1.00 0.00 N ATOM 79 CA VAL A 6 -7.436 -2.962 4.129 1.00 0.00 C ATOM 80 C VAL A 6 -7.158 -1.631 3.416 1.00 0.00 C ATOM 81 O VAL A 6 -6.933 -0.607 4.037 1.00 0.00 O ATOM 82 CB VAL A 6 -6.197 -3.892 4.129 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.197 -3.484 3.049 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.517 -3.867 5.511 1.00 0.00 C ATOM 0 H VAL A 6 -8.297 -4.564 3.028 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.696 -2.745 5.165 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.537 -4.905 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.339 -4.156 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.674 -3.542 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.863 -2.462 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.647 -4.524 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.201 -2.850 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.221 -4.209 6.269 1.00 0.00 H new ATOM 94 N PHE A 7 -7.199 -1.645 2.113 1.00 0.00 N ATOM 95 CA PHE A 7 -6.964 -0.385 1.355 1.00 0.00 C ATOM 96 C PHE A 7 -7.998 0.651 1.796 1.00 0.00 C ATOM 97 O PHE A 7 -7.675 1.788 2.078 1.00 0.00 O ATOM 98 CB PHE A 7 -7.117 -0.624 -0.149 1.00 0.00 C ATOM 99 CG PHE A 7 -7.251 0.708 -0.842 1.00 0.00 C ATOM 100 CD1 PHE A 7 -8.488 1.368 -0.860 1.00 0.00 C ATOM 101 CD2 PHE A 7 -6.140 1.297 -1.442 1.00 0.00 C ATOM 102 CE1 PHE A 7 -8.609 2.612 -1.479 1.00 0.00 C ATOM 103 CE2 PHE A 7 -6.264 2.541 -2.055 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.497 3.199 -2.074 1.00 0.00 C ATOM 0 H PHE A 7 -7.384 -2.470 1.543 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.952 -0.033 1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.253 -1.165 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.993 -1.242 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.349 0.912 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.186 0.791 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.563 3.118 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.403 3.000 -2.518 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.586 4.164 -2.551 1.00 0.00 H new ATOM 114 N GLU A 8 -9.244 0.264 1.848 1.00 0.00 N ATOM 115 CA GLU A 8 -10.305 1.221 2.263 1.00 0.00 C ATOM 116 C GLU A 8 -9.911 1.864 3.589 1.00 0.00 C ATOM 117 O GLU A 8 -9.918 3.065 3.739 1.00 0.00 O ATOM 118 CB GLU A 8 -11.629 0.471 2.430 1.00 0.00 C ATOM 119 CG GLU A 8 -12.124 -0.014 1.064 1.00 0.00 C ATOM 120 CD GLU A 8 -12.926 1.098 0.382 1.00 0.00 C ATOM 121 OE1 GLU A 8 -12.473 2.229 0.407 1.00 0.00 O ATOM 122 OE2 GLU A 8 -13.981 0.796 -0.154 1.00 0.00 O ATOM 0 H GLU A 8 -9.571 -0.675 1.620 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.421 1.994 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.495 -0.377 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.373 1.124 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.277 -0.300 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.745 -0.902 1.185 1.00 0.00 H new ATOM 129 N LYS A 9 -9.581 1.067 4.559 1.00 0.00 N ATOM 130 CA LYS A 9 -9.204 1.629 5.881 1.00 0.00 C ATOM 131 C LYS A 9 -8.129 2.696 5.704 1.00 0.00 C ATOM 132 O LYS A 9 -8.145 3.718 6.360 1.00 0.00 O ATOM 133 CB LYS A 9 -8.655 0.518 6.771 1.00 0.00 C ATOM 134 CG LYS A 9 -9.673 -0.623 6.888 1.00 0.00 C ATOM 135 CD LYS A 9 -11.057 -0.062 7.229 1.00 0.00 C ATOM 136 CE LYS A 9 -11.946 -1.182 7.772 1.00 0.00 C ATOM 137 NZ LYS A 9 -11.437 -1.620 9.104 1.00 0.00 N ATOM 0 H LYS A 9 -9.556 0.049 4.495 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.087 2.072 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.720 0.139 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.428 0.914 7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.718 -1.178 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.357 -1.325 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.966 0.734 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.511 0.378 6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.975 -0.833 7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.953 -2.023 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.222 -2.007 9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.710 -2.352 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.024 -0.806 9.602 1.00 0.00 H new ATOM 151 N PHE A 10 -7.194 2.478 4.825 1.00 0.00 N ATOM 152 CA PHE A 10 -6.129 3.492 4.621 1.00 0.00 C ATOM 153 C PHE A 10 -6.591 4.541 3.628 1.00 0.00 C ATOM 154 O PHE A 10 -5.970 5.574 3.501 1.00 0.00 O ATOM 155 CB PHE A 10 -4.877 2.803 4.120 1.00 0.00 C ATOM 156 CG PHE A 10 -4.543 1.683 5.073 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.279 1.968 6.422 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.507 0.360 4.620 1.00 0.00 C ATOM 159 CE1 PHE A 10 -3.976 0.931 7.310 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.200 -0.674 5.510 1.00 0.00 C ATOM 161 CZ PHE A 10 -3.935 -0.390 6.854 1.00 0.00 C ATOM 0 H PHE A 10 -7.122 1.644 4.242 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.911 3.989 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.034 2.413 3.115 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.051 3.511 4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.310 2.988 6.774 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.716 0.137 3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.774 1.151 8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.167 -1.695 5.159 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.699 -1.191 7.539 1.00 0.00 H new ATOM 171 N ASP A 11 -7.674 4.315 2.929 1.00 0.00 N ATOM 172 CA ASP A 11 -8.138 5.361 1.972 1.00 0.00 C ATOM 173 C ASP A 11 -8.172 6.692 2.719 1.00 0.00 C ATOM 174 O ASP A 11 -9.206 7.206 3.095 1.00 0.00 O ATOM 175 CB ASP A 11 -9.531 5.015 1.430 1.00 0.00 C ATOM 176 CG ASP A 11 -10.587 5.187 2.525 1.00 0.00 C ATOM 177 OD1 ASP A 11 -10.207 5.294 3.681 1.00 0.00 O ATOM 178 OD2 ASP A 11 -11.760 5.210 2.191 1.00 0.00 O ATOM 0 H ASP A 11 -8.245 3.471 2.977 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.460 5.421 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.769 5.658 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.541 3.988 1.064 1.00 0.00 H new ATOM 183 N LYS A 12 -7.022 7.245 2.921 1.00 0.00 N ATOM 184 CA LYS A 12 -6.900 8.539 3.630 1.00 0.00 C ATOM 185 C LYS A 12 -7.177 9.658 2.635 1.00 0.00 C ATOM 186 O LYS A 12 -7.349 10.807 2.990 1.00 0.00 O ATOM 187 CB LYS A 12 -5.486 8.616 4.193 1.00 0.00 C ATOM 188 CG LYS A 12 -4.737 9.840 3.672 1.00 0.00 C ATOM 189 CD LYS A 12 -3.330 9.827 4.262 1.00 0.00 C ATOM 190 CE LYS A 12 -2.374 10.624 3.368 1.00 0.00 C ATOM 191 NZ LYS A 12 -2.668 12.079 3.504 1.00 0.00 N ATOM 0 H LYS A 12 -6.135 6.845 2.616 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.613 8.634 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.529 8.652 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.938 7.713 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.692 9.823 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.259 10.754 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.344 10.255 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.978 8.800 4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.341 10.422 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.487 10.314 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.020 12.622 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.650 12.263 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.539 12.368 4.495 1.00 0.00 H new ATOM 205 N ASN A 13 -7.261 9.302 1.389 1.00 0.00 N ATOM 206 CA ASN A 13 -7.575 10.295 0.321 1.00 0.00 C ATOM 207 C ASN A 13 -8.897 9.885 -0.343 1.00 0.00 C ATOM 208 O ASN A 13 -9.250 10.380 -1.394 1.00 0.00 O ATOM 209 CB ASN A 13 -6.456 10.298 -0.722 1.00 0.00 C ATOM 210 CG ASN A 13 -6.078 8.857 -1.074 1.00 0.00 C ATOM 211 OD1 ASN A 13 -4.928 8.564 -1.333 1.00 0.00 O ATOM 212 ND2 ASN A 13 -7.004 7.937 -1.093 1.00 0.00 N ATOM 0 H ASN A 13 -7.123 8.348 1.055 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.662 11.294 0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.781 10.828 -1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.586 10.829 -0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.761 6.974 -1.325 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.970 8.181 -0.876 1.00 0.00 H new ATOM 219 N LYS A 14 -9.617 8.975 0.276 1.00 0.00 N ATOM 220 CA LYS A 14 -10.914 8.501 -0.298 1.00 0.00 C ATOM 221 C LYS A 14 -10.855 8.687 -1.811 1.00 0.00 C ATOM 222 O LYS A 14 -11.711 9.293 -2.426 1.00 0.00 O ATOM 223 CB LYS A 14 -12.062 9.317 0.291 1.00 0.00 C ATOM 224 CG LYS A 14 -12.096 9.123 1.815 1.00 0.00 C ATOM 225 CD LYS A 14 -13.544 9.150 2.317 1.00 0.00 C ATOM 226 CE LYS A 14 -14.083 10.580 2.253 1.00 0.00 C ATOM 227 NZ LYS A 14 -15.532 10.581 2.599 1.00 0.00 N ATOM 0 H LYS A 14 -9.357 8.539 1.161 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.080 7.451 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.934 10.372 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.009 9.003 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.629 8.174 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.519 9.909 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.163 8.490 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.592 8.778 3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.533 11.219 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.936 10.991 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.899 11.553 2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.051 9.985 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.660 10.206 3.560 1.00 0.00 H new ATOM 241 N ASP A 15 -9.796 8.199 -2.386 1.00 0.00 N ATOM 242 CA ASP A 15 -9.582 8.361 -3.838 1.00 0.00 C ATOM 243 C ASP A 15 -9.690 7.025 -4.547 1.00 0.00 C ATOM 244 O ASP A 15 -10.007 6.982 -5.719 1.00 0.00 O ATOM 245 CB ASP A 15 -8.189 8.951 -4.084 1.00 0.00 C ATOM 246 CG ASP A 15 -8.219 10.466 -3.862 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.296 10.995 -3.646 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.161 11.072 -3.914 1.00 0.00 O ATOM 0 H ASP A 15 -9.060 7.687 -1.899 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.347 9.030 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.465 8.490 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.865 8.730 -5.101 1.00 0.00 H new ATOM 253 N GLY A 16 -9.384 5.926 -3.907 1.00 0.00 N ATOM 254 CA GLY A 16 -9.429 4.642 -4.639 1.00 0.00 C ATOM 255 C GLY A 16 -8.004 4.360 -5.046 1.00 0.00 C ATOM 256 O GLY A 16 -7.720 3.522 -5.877 1.00 0.00 O ATOM 0 H GLY A 16 -9.110 5.869 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.822 3.844 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.080 4.710 -5.511 1.00 0.00 H new ATOM 260 N LYS A 17 -7.106 5.063 -4.406 1.00 0.00 N ATOM 261 CA LYS A 17 -5.665 4.888 -4.644 1.00 0.00 C ATOM 262 C LYS A 17 -4.920 5.264 -3.390 1.00 0.00 C ATOM 263 O LYS A 17 -5.349 6.086 -2.603 1.00 0.00 O ATOM 264 CB LYS A 17 -5.166 5.777 -5.760 1.00 0.00 C ATOM 265 CG LYS A 17 -5.833 5.413 -7.094 1.00 0.00 C ATOM 266 CD LYS A 17 -7.027 6.343 -7.340 1.00 0.00 C ATOM 267 CE LYS A 17 -6.525 7.693 -7.862 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.500 7.670 -9.353 1.00 0.00 N ATOM 0 H LYS A 17 -7.332 5.771 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.497 3.848 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.372 6.820 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.084 5.679 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.114 5.503 -7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.165 4.375 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.709 5.893 -8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.588 6.484 -6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.174 8.495 -7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.527 7.897 -7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.159 8.586 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.864 6.914 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.459 7.494 -9.714 1.00 0.00 H new ATOM 282 N LEU A 18 -3.800 4.657 -3.212 1.00 0.00 N ATOM 283 CA LEU A 18 -2.977 4.932 -2.027 1.00 0.00 C ATOM 284 C LEU A 18 -1.645 5.489 -2.424 1.00 0.00 C ATOM 285 O LEU A 18 -1.158 5.272 -3.499 1.00 0.00 O ATOM 286 CB LEU A 18 -2.751 3.675 -1.269 1.00 0.00 C ATOM 287 CG LEU A 18 -3.525 3.725 0.017 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.037 3.922 -0.180 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.226 2.437 0.712 1.00 0.00 C ATOM 0 H LEU A 18 -3.411 3.965 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.506 5.659 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.066 2.817 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.688 3.547 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.222 4.592 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.530 3.948 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.216 4.861 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.438 3.096 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.759 2.404 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.546 1.603 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.154 2.363 0.895 1.00 0.00 H new ATOM 301 N SER A 19 -1.054 6.179 -1.523 1.00 0.00 N ATOM 302 CA SER A 19 0.273 6.760 -1.765 1.00 0.00 C ATOM 303 C SER A 19 1.275 5.953 -0.979 1.00 0.00 C ATOM 304 O SER A 19 0.947 5.347 0.021 1.00 0.00 O ATOM 305 CB SER A 19 0.292 8.190 -1.258 1.00 0.00 C ATOM 306 OG SER A 19 -0.964 8.803 -1.520 1.00 0.00 O ATOM 0 H SER A 19 -1.443 6.373 -0.600 1.00 0.00 H new ATOM 0 HA SER A 19 0.509 6.748 -2.829 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.500 8.205 -0.188 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.090 8.749 -1.746 1.00 0.00 H new ATOM 0 HG SER A 19 -1.536 8.730 -0.727 1.00 0.00 H new ATOM 312 N LEU A 20 2.491 5.942 -1.399 1.00 0.00 N ATOM 313 CA LEU A 20 3.491 5.182 -0.642 1.00 0.00 C ATOM 314 C LEU A 20 3.350 5.616 0.793 1.00 0.00 C ATOM 315 O LEU A 20 3.694 4.924 1.721 1.00 0.00 O ATOM 316 CB LEU A 20 4.870 5.540 -1.174 1.00 0.00 C ATOM 317 CG LEU A 20 5.932 4.713 -0.465 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.188 5.251 0.915 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.481 3.263 -0.355 1.00 0.00 C ATOM 0 H LEU A 20 2.835 6.424 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 20 3.355 4.104 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.913 5.358 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.063 6.602 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 20 6.850 4.770 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.950 4.646 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.533 6.283 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.267 5.215 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.249 2.681 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.552 3.213 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.319 2.856 -1.353 1.00 0.00 H new ATOM 331 N ASP A 21 2.771 6.748 0.941 1.00 0.00 N ATOM 332 CA ASP A 21 2.509 7.298 2.286 1.00 0.00 C ATOM 333 C ASP A 21 1.434 6.459 2.997 1.00 0.00 C ATOM 334 O ASP A 21 1.599 6.113 4.151 1.00 0.00 O ATOM 335 CB ASP A 21 2.036 8.751 2.167 1.00 0.00 C ATOM 336 CG ASP A 21 2.776 9.437 1.018 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.734 8.917 -0.084 1.00 0.00 O ATOM 338 OD2 ASP A 21 3.371 10.475 1.260 1.00 0.00 O ATOM 0 H ASP A 21 2.457 7.338 0.170 1.00 0.00 H new ATOM 0 HA ASP A 21 3.429 7.265 2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.961 8.781 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.221 9.282 3.101 1.00 0.00 H new ATOM 343 N GLU A 22 0.324 6.118 2.358 1.00 0.00 N ATOM 344 CA GLU A 22 -0.697 5.313 3.075 1.00 0.00 C ATOM 345 C GLU A 22 -0.178 3.893 3.229 1.00 0.00 C ATOM 346 O GLU A 22 -0.308 3.276 4.265 1.00 0.00 O ATOM 347 CB GLU A 22 -1.988 5.303 2.274 1.00 0.00 C ATOM 348 CG GLU A 22 -2.794 6.562 2.585 1.00 0.00 C ATOM 349 CD GLU A 22 -1.982 7.795 2.184 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.140 8.204 2.965 1.00 0.00 O ATOM 351 OE2 GLU A 22 -2.218 8.307 1.102 1.00 0.00 O ATOM 0 H GLU A 22 0.098 6.363 1.394 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.891 5.744 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.766 5.255 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.572 4.416 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.740 6.544 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.034 6.601 3.647 1.00 0.00 H new ATOM 358 N PHE A 23 0.446 3.391 2.206 1.00 0.00 N ATOM 359 CA PHE A 23 1.023 2.047 2.260 1.00 0.00 C ATOM 360 C PHE A 23 2.217 2.095 3.231 1.00 0.00 C ATOM 361 O PHE A 23 2.617 1.093 3.784 1.00 0.00 O ATOM 362 CB PHE A 23 1.469 1.644 0.869 1.00 0.00 C ATOM 363 CG PHE A 23 2.130 0.286 0.888 1.00 0.00 C ATOM 364 CD1 PHE A 23 1.430 -0.829 1.357 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.442 0.144 0.427 1.00 0.00 C ATOM 366 CE1 PHE A 23 2.043 -2.088 1.368 1.00 0.00 C ATOM 367 CE2 PHE A 23 4.056 -1.114 0.437 1.00 0.00 C ATOM 368 CZ PHE A 23 3.357 -2.230 0.910 1.00 0.00 C ATOM 0 H PHE A 23 0.578 3.876 1.319 1.00 0.00 H new ATOM 0 HA PHE A 23 0.297 1.312 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.610 1.626 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.164 2.386 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.416 -0.720 1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.982 1.005 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.501 -2.949 1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.069 -1.223 0.080 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.832 -3.200 0.921 1.00 0.00 H new ATOM 378 N ARG A 24 2.769 3.278 3.473 1.00 0.00 N ATOM 379 CA ARG A 24 3.905 3.418 4.447 1.00 0.00 C ATOM 380 C ARG A 24 3.325 3.415 5.857 1.00 0.00 C ATOM 381 O ARG A 24 3.905 2.902 6.785 1.00 0.00 O ATOM 382 CB ARG A 24 4.621 4.758 4.229 1.00 0.00 C ATOM 383 CG ARG A 24 6.137 4.555 4.170 1.00 0.00 C ATOM 384 CD ARG A 24 6.803 5.878 3.784 1.00 0.00 C ATOM 385 NE ARG A 24 8.142 5.613 3.195 1.00 0.00 N ATOM 386 CZ ARG A 24 8.791 6.566 2.584 1.00 0.00 C ATOM 387 NH1 ARG A 24 8.271 7.761 2.498 1.00 0.00 N ATOM 388 NH2 ARG A 24 9.961 6.326 2.056 1.00 0.00 N ATOM 0 H ARG A 24 2.475 4.150 3.033 1.00 0.00 H new ATOM 0 HA ARG A 24 4.610 2.599 4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.274 5.216 3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.372 5.445 5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.509 4.214 5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.385 3.782 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.180 6.414 3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.901 6.516 4.662 1.00 0.00 H new ATOM 0 HE ARG A 24 8.555 4.683 3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.357 7.950 2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.779 8.505 2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.368 5.393 2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.468 7.071 1.579 1.00 0.00 H new ATOM 402 N GLU A 25 2.146 3.945 5.992 1.00 0.00 N ATOM 403 CA GLU A 25 1.471 3.927 7.317 1.00 0.00 C ATOM 404 C GLU A 25 1.017 2.491 7.487 1.00 0.00 C ATOM 405 O GLU A 25 1.102 1.892 8.535 1.00 0.00 O ATOM 406 CB GLU A 25 0.264 4.871 7.311 1.00 0.00 C ATOM 407 CG GLU A 25 0.745 6.313 7.485 1.00 0.00 C ATOM 408 CD GLU A 25 -0.458 7.256 7.486 1.00 0.00 C ATOM 409 OE1 GLU A 25 -1.213 7.222 6.528 1.00 0.00 O ATOM 410 OE2 GLU A 25 -0.602 8.001 8.441 1.00 0.00 O ATOM 0 H GLU A 25 1.618 4.391 5.242 1.00 0.00 H new ATOM 0 HA GLU A 25 2.125 4.256 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.286 4.770 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.423 4.606 8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.299 6.412 8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.428 6.579 6.679 1.00 0.00 H new ATOM 417 N VAL A 26 0.579 1.951 6.398 1.00 0.00 N ATOM 418 CA VAL A 26 0.132 0.542 6.304 1.00 0.00 C ATOM 419 C VAL A 26 1.306 -0.373 6.610 1.00 0.00 C ATOM 420 O VAL A 26 1.196 -1.374 7.288 1.00 0.00 O ATOM 421 CB VAL A 26 -0.227 0.353 4.827 1.00 0.00 C ATOM 422 CG1 VAL A 26 0.076 -1.058 4.326 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.676 0.683 4.553 1.00 0.00 C ATOM 0 H VAL A 26 0.508 2.459 5.516 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.688 0.322 6.987 1.00 0.00 H new ATOM 0 HB VAL A 26 0.405 1.052 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.197 -1.137 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.140 -1.264 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.498 -1.781 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.889 0.536 3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.316 0.030 5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.870 1.722 4.821 1.00 0.00 H new ATOM 433 N ALA A 27 2.418 -0.036 6.039 1.00 0.00 N ATOM 434 CA ALA A 27 3.631 -0.863 6.185 1.00 0.00 C ATOM 435 C ALA A 27 4.288 -0.614 7.544 1.00 0.00 C ATOM 436 O ALA A 27 4.788 -1.515 8.184 1.00 0.00 O ATOM 437 CB ALA A 27 4.606 -0.504 5.060 1.00 0.00 C ATOM 0 H ALA A 27 2.538 0.798 5.464 1.00 0.00 H new ATOM 0 HA ALA A 27 3.362 -1.918 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.509 -1.108 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.137 -0.701 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.867 0.552 5.128 1.00 0.00 H new ATOM 443 N LEU A 28 4.290 0.610 7.971 1.00 0.00 N ATOM 444 CA LEU A 28 4.916 0.947 9.279 1.00 0.00 C ATOM 445 C LEU A 28 3.964 0.564 10.410 1.00 0.00 C ATOM 446 O LEU A 28 4.386 0.202 11.490 1.00 0.00 O ATOM 447 CB LEU A 28 5.197 2.453 9.349 1.00 0.00 C ATOM 448 CG LEU A 28 6.530 2.801 8.657 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.786 1.888 7.450 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.474 4.253 8.178 1.00 0.00 C ATOM 0 H LEU A 28 3.883 1.400 7.470 1.00 0.00 H new ATOM 0 HA LEU A 28 5.852 0.398 9.379 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.383 3.001 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.230 2.772 10.391 1.00 0.00 H new ATOM 0 HG LEU A 28 7.339 2.659 9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.733 2.159 6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.828 0.850 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.979 2.006 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.412 4.510 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.651 4.372 7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.319 4.912 9.032 1.00 0.00 H new ATOM 462 N ALA A 29 2.685 0.650 10.180 1.00 0.00 N ATOM 463 CA ALA A 29 1.701 0.301 11.240 1.00 0.00 C ATOM 464 C ALA A 29 1.536 -1.218 11.369 1.00 0.00 C ATOM 465 O ALA A 29 1.761 -1.794 12.414 1.00 0.00 O ATOM 466 CB ALA A 29 0.355 0.911 10.851 1.00 0.00 C ATOM 0 H ALA A 29 2.276 0.950 9.295 1.00 0.00 H new ATOM 0 HA ALA A 29 2.055 0.687 12.196 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.387 0.670 11.612 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.455 1.993 10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.035 0.505 9.891 1.00 0.00 H new ATOM 472 N PHE A 30 1.107 -1.862 10.314 1.00 0.00 N ATOM 473 CA PHE A 30 0.882 -3.337 10.366 1.00 0.00 C ATOM 474 C PHE A 30 2.178 -4.069 10.715 1.00 0.00 C ATOM 475 O PHE A 30 2.230 -4.840 11.653 1.00 0.00 O ATOM 476 CB PHE A 30 0.376 -3.819 9.003 1.00 0.00 C ATOM 477 CG PHE A 30 -0.314 -5.152 9.162 1.00 0.00 C ATOM 478 CD1 PHE A 30 -1.686 -5.202 9.433 1.00 0.00 C ATOM 479 CD2 PHE A 30 0.420 -6.339 9.039 1.00 0.00 C ATOM 480 CE1 PHE A 30 -2.327 -6.439 9.579 1.00 0.00 C ATOM 481 CE2 PHE A 30 -0.222 -7.576 9.186 1.00 0.00 C ATOM 482 CZ PHE A 30 -1.594 -7.625 9.455 1.00 0.00 C ATOM 0 H PHE A 30 0.902 -1.427 9.415 1.00 0.00 H new ATOM 0 HA PHE A 30 0.142 -3.552 11.137 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.314 -3.089 8.581 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.209 -3.910 8.306 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.251 -4.287 9.530 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.479 -6.301 8.831 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.386 -6.478 9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.343 -8.492 9.092 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.088 -8.579 9.567 1.00 0.00 H new ATOM 492 N SER A 31 3.219 -3.842 9.966 1.00 0.00 N ATOM 493 CA SER A 31 4.510 -4.529 10.248 1.00 0.00 C ATOM 494 C SER A 31 5.649 -3.511 10.137 1.00 0.00 C ATOM 495 O SER A 31 6.108 -3.212 9.053 1.00 0.00 O ATOM 496 CB SER A 31 4.715 -5.643 9.218 1.00 0.00 C ATOM 497 OG SER A 31 3.922 -6.766 9.579 1.00 0.00 O ATOM 0 H SER A 31 3.232 -3.208 9.167 1.00 0.00 H new ATOM 0 HA SER A 31 4.498 -4.956 11.251 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.437 -5.291 8.224 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.767 -5.925 9.174 1.00 0.00 H new ATOM 0 HG SER A 31 4.049 -7.481 8.921 1.00 0.00 H new ATOM 503 N PRO A 32 6.099 -2.966 11.243 1.00 0.00 N ATOM 504 CA PRO A 32 7.192 -1.953 11.233 1.00 0.00 C ATOM 505 C PRO A 32 8.510 -2.535 10.723 1.00 0.00 C ATOM 506 O PRO A 32 9.475 -1.824 10.528 1.00 0.00 O ATOM 507 CB PRO A 32 7.318 -1.511 12.697 1.00 0.00 C ATOM 508 CG PRO A 32 6.696 -2.605 13.501 1.00 0.00 C ATOM 509 CD PRO A 32 5.634 -3.253 12.612 1.00 0.00 C ATOM 0 HA PRO A 32 6.966 -1.125 10.561 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.362 -1.366 12.974 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.808 -0.562 12.865 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.445 -3.336 13.805 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.249 -2.209 14.413 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.561 -4.325 12.793 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.646 -2.830 12.796 1.00 0.00 H new ATOM 517 N TYR A 33 8.565 -3.821 10.503 1.00 0.00 N ATOM 518 CA TYR A 33 9.826 -4.430 10.008 1.00 0.00 C ATOM 519 C TYR A 33 9.958 -4.183 8.505 1.00 0.00 C ATOM 520 O TYR A 33 10.966 -4.506 7.906 1.00 0.00 O ATOM 521 CB TYR A 33 9.801 -5.934 10.283 1.00 0.00 C ATOM 522 CG TYR A 33 9.262 -6.177 11.674 1.00 0.00 C ATOM 523 CD1 TYR A 33 10.041 -5.851 12.791 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.987 -6.727 11.846 1.00 0.00 C ATOM 525 CE1 TYR A 33 9.541 -6.074 14.081 1.00 0.00 C ATOM 526 CE2 TYR A 33 7.488 -6.949 13.134 1.00 0.00 C ATOM 527 CZ TYR A 33 8.264 -6.623 14.252 1.00 0.00 C ATOM 528 OH TYR A 33 7.773 -6.842 15.523 1.00 0.00 O ATOM 0 H TYR A 33 7.792 -4.472 10.645 1.00 0.00 H new ATOM 0 HA TYR A 33 10.676 -3.980 10.521 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.178 -6.440 9.545 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.805 -6.349 10.192 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.026 -5.428 12.659 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.388 -6.980 10.984 1.00 0.00 H new ATOM 0 HE1 TYR A 33 10.140 -5.822 14.943 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.503 -7.372 13.266 1.00 0.00 H new ATOM 0 HH TYR A 33 6.873 -7.226 15.464 1.00 0.00 H new ATOM 538 N PHE A 34 8.962 -3.604 7.882 1.00 0.00 N ATOM 539 CA PHE A 34 9.081 -3.342 6.420 1.00 0.00 C ATOM 540 C PHE A 34 10.178 -2.335 6.212 1.00 0.00 C ATOM 541 O PHE A 34 10.168 -1.253 6.766 1.00 0.00 O ATOM 542 CB PHE A 34 7.779 -2.756 5.839 1.00 0.00 C ATOM 543 CG PHE A 34 6.919 -3.837 5.231 1.00 0.00 C ATOM 544 CD1 PHE A 34 6.204 -4.698 6.060 1.00 0.00 C ATOM 545 CD2 PHE A 34 6.832 -3.969 3.836 1.00 0.00 C ATOM 546 CE1 PHE A 34 5.397 -5.699 5.507 1.00 0.00 C ATOM 547 CE2 PHE A 34 6.026 -4.969 3.281 1.00 0.00 C ATOM 548 CZ PHE A 34 5.309 -5.836 4.116 1.00 0.00 C ATOM 0 H PHE A 34 8.088 -3.307 8.315 1.00 0.00 H new ATOM 0 HA PHE A 34 9.291 -4.286 5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.224 -2.245 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.019 -2.009 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.272 -4.593 7.133 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.386 -3.301 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.843 -6.365 6.152 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.957 -5.073 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.689 -6.609 3.687 1.00 0.00 H new ATOM 558 N THR A 35 11.127 -2.680 5.414 1.00 0.00 N ATOM 559 CA THR A 35 12.218 -1.738 5.177 1.00 0.00 C ATOM 560 C THR A 35 11.736 -0.686 4.209 1.00 0.00 C ATOM 561 O THR A 35 10.997 -0.955 3.283 1.00 0.00 O ATOM 562 CB THR A 35 13.422 -2.473 4.609 1.00 0.00 C ATOM 563 OG1 THR A 35 13.101 -3.846 4.429 1.00 0.00 O ATOM 564 CG2 THR A 35 14.551 -2.332 5.603 1.00 0.00 C ATOM 0 H THR A 35 11.192 -3.570 4.919 1.00 0.00 H new ATOM 0 HA THR A 35 12.519 -1.266 6.112 1.00 0.00 H new ATOM 0 HB THR A 35 13.710 -2.058 3.643 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.821 -4.288 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.434 -2.849 5.227 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.782 -1.276 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.253 -2.769 6.556 1.00 0.00 H new ATOM 572 N GLN A 36 12.141 0.513 4.428 1.00 0.00 N ATOM 573 CA GLN A 36 11.708 1.605 3.551 1.00 0.00 C ATOM 574 C GLN A 36 12.064 1.274 2.108 1.00 0.00 C ATOM 575 O GLN A 36 11.394 1.680 1.190 1.00 0.00 O ATOM 576 CB GLN A 36 12.435 2.862 3.988 1.00 0.00 C ATOM 577 CG GLN A 36 11.752 4.088 3.386 1.00 0.00 C ATOM 578 CD GLN A 36 10.254 4.061 3.688 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.805 4.647 4.652 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.458 3.400 2.896 1.00 0.00 N ATOM 0 H GLN A 36 12.763 0.788 5.188 1.00 0.00 H new ATOM 0 HA GLN A 36 10.629 1.748 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.437 2.933 5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.476 2.821 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 36 12.196 4.997 3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.912 4.110 2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.837 2.908 2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.456 3.374 3.085 1.00 0.00 H new ATOM 589 N GLU A 37 13.106 0.525 1.925 1.00 0.00 N ATOM 590 CA GLU A 37 13.518 0.142 0.545 1.00 0.00 C ATOM 591 C GLU A 37 12.549 -0.916 0.014 1.00 0.00 C ATOM 592 O GLU A 37 12.234 -0.946 -1.157 1.00 0.00 O ATOM 593 CB GLU A 37 14.939 -0.430 0.572 1.00 0.00 C ATOM 594 CG GLU A 37 15.913 0.611 1.148 1.00 0.00 C ATOM 595 CD GLU A 37 16.609 1.357 0.007 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.187 0.696 -0.841 1.00 0.00 O ATOM 597 OE2 GLU A 37 16.554 2.576 0.001 1.00 0.00 O ATOM 0 H GLU A 37 13.696 0.157 2.671 1.00 0.00 H new ATOM 0 HA GLU A 37 13.499 1.019 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.964 -1.337 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.247 -0.710 -0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.374 1.316 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.654 0.120 1.779 1.00 0.00 H new ATOM 604 N ASP A 38 12.070 -1.782 0.866 1.00 0.00 N ATOM 605 CA ASP A 38 11.117 -2.829 0.402 1.00 0.00 C ATOM 606 C ASP A 38 9.757 -2.187 0.126 1.00 0.00 C ATOM 607 O ASP A 38 9.061 -2.553 -0.798 1.00 0.00 O ATOM 608 CB ASP A 38 10.966 -3.899 1.484 1.00 0.00 C ATOM 609 CG ASP A 38 12.328 -4.539 1.764 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.309 -3.814 1.779 1.00 0.00 O ATOM 611 OD2 ASP A 38 12.365 -5.742 1.960 1.00 0.00 O ATOM 0 H ASP A 38 12.297 -1.809 1.860 1.00 0.00 H new ATOM 0 HA ASP A 38 11.496 -3.289 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.567 -3.455 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.255 -4.659 1.162 1.00 0.00 H new ATOM 616 N ILE A 39 9.371 -1.233 0.926 1.00 0.00 N ATOM 617 CA ILE A 39 8.054 -0.565 0.718 1.00 0.00 C ATOM 618 C ILE A 39 8.132 0.333 -0.512 1.00 0.00 C ATOM 619 O ILE A 39 7.264 0.327 -1.351 1.00 0.00 O ATOM 620 CB ILE A 39 7.718 0.290 1.941 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.941 -0.523 3.213 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.256 0.713 1.886 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.310 0.404 4.385 1.00 0.00 C ATOM 0 H ILE A 39 9.912 -0.885 1.718 1.00 0.00 H new ATOM 0 HA ILE A 39 7.282 -1.321 0.575 1.00 0.00 H new ATOM 0 HB ILE A 39 8.361 1.170 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.039 -1.085 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.736 -1.251 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.020 1.322 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.079 1.293 0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.621 -0.173 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.466 -0.191 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.225 0.946 4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.501 1.114 4.556 1.00 0.00 H new ATOM 635 N VAL A 40 9.167 1.113 -0.603 1.00 0.00 N ATOM 636 CA VAL A 40 9.332 2.027 -1.757 1.00 0.00 C ATOM 637 C VAL A 40 9.750 1.243 -2.987 1.00 0.00 C ATOM 638 O VAL A 40 9.262 1.488 -4.064 1.00 0.00 O ATOM 639 CB VAL A 40 10.387 3.042 -1.404 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.955 3.740 -0.125 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.718 2.335 -1.209 1.00 0.00 C ATOM 0 H VAL A 40 9.918 1.155 0.086 1.00 0.00 H new ATOM 0 HA VAL A 40 8.390 2.528 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 40 10.505 3.778 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.703 4.482 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.996 4.233 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.856 3.006 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.485 3.067 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.628 1.607 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.997 1.824 -2.131 1.00 0.00 H new ATOM 651 N LYS A 41 10.621 0.282 -2.864 1.00 0.00 N ATOM 652 CA LYS A 41 10.975 -0.484 -4.079 1.00 0.00 C ATOM 653 C LYS A 41 9.688 -1.133 -4.555 1.00 0.00 C ATOM 654 O LYS A 41 9.253 -0.938 -5.671 1.00 0.00 O ATOM 655 CB LYS A 41 12.002 -1.566 -3.737 1.00 0.00 C ATOM 656 CG LYS A 41 12.330 -2.378 -4.992 1.00 0.00 C ATOM 657 CD LYS A 41 13.426 -3.398 -4.667 1.00 0.00 C ATOM 658 CE LYS A 41 13.670 -4.297 -5.880 1.00 0.00 C ATOM 659 NZ LYS A 41 14.520 -3.575 -6.870 1.00 0.00 N ATOM 0 H LYS A 41 11.088 0.003 -2.001 1.00 0.00 H new ATOM 0 HA LYS A 41 11.410 0.160 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.908 -1.109 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.609 -2.222 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.437 -2.889 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.661 -1.715 -5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.347 -2.882 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.132 -4.001 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.159 -5.220 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.720 -4.577 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.686 -4.186 -7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.037 -2.706 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.431 -3.329 -6.432 1.00 0.00 H new ATOM 673 N PHE A 42 9.072 -1.903 -3.700 1.00 0.00 N ATOM 674 CA PHE A 42 7.808 -2.580 -4.068 1.00 0.00 C ATOM 675 C PHE A 42 6.724 -1.548 -4.400 1.00 0.00 C ATOM 676 O PHE A 42 6.062 -1.656 -5.411 1.00 0.00 O ATOM 677 CB PHE A 42 7.360 -3.463 -2.899 1.00 0.00 C ATOM 678 CG PHE A 42 6.492 -4.577 -3.432 1.00 0.00 C ATOM 679 CD1 PHE A 42 7.053 -5.548 -4.270 1.00 0.00 C ATOM 680 CD2 PHE A 42 5.137 -4.642 -3.094 1.00 0.00 C ATOM 681 CE1 PHE A 42 6.258 -6.586 -4.769 1.00 0.00 C ATOM 682 CE2 PHE A 42 4.343 -5.682 -3.595 1.00 0.00 C ATOM 683 CZ PHE A 42 4.903 -6.653 -4.431 1.00 0.00 C ATOM 0 H PHE A 42 9.399 -2.091 -2.752 1.00 0.00 H new ATOM 0 HA PHE A 42 7.970 -3.196 -4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.228 -3.875 -2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.807 -2.871 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.100 -5.496 -4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.703 -3.893 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.691 -7.335 -5.415 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.296 -5.734 -3.335 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.289 -7.454 -4.815 1.00 0.00 H new ATOM 693 N PHE A 43 6.536 -0.540 -3.586 1.00 0.00 N ATOM 694 CA PHE A 43 5.494 0.475 -3.923 1.00 0.00 C ATOM 695 C PHE A 43 5.850 1.075 -5.269 1.00 0.00 C ATOM 696 O PHE A 43 5.054 1.137 -6.185 1.00 0.00 O ATOM 697 CB PHE A 43 5.513 1.561 -2.868 1.00 0.00 C ATOM 698 CG PHE A 43 4.658 2.732 -3.289 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.137 3.664 -4.215 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.402 2.912 -2.714 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.353 4.768 -4.559 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.621 4.014 -3.061 1.00 0.00 C ATOM 703 CZ PHE A 43 3.097 4.944 -3.981 1.00 0.00 C ATOM 0 H PHE A 43 7.048 -0.378 -2.719 1.00 0.00 H new ATOM 0 HA PHE A 43 4.504 0.021 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.149 1.161 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.537 1.894 -2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.111 3.531 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.031 2.195 -1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.721 5.487 -5.275 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.646 4.146 -2.616 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.494 5.800 -4.246 1.00 0.00 H new ATOM 713 N GLU A 44 7.079 1.467 -5.393 1.00 0.00 N ATOM 714 CA GLU A 44 7.544 2.011 -6.687 1.00 0.00 C ATOM 715 C GLU A 44 7.234 0.943 -7.741 1.00 0.00 C ATOM 716 O GLU A 44 6.893 1.232 -8.871 1.00 0.00 O ATOM 717 CB GLU A 44 9.050 2.283 -6.626 1.00 0.00 C ATOM 718 CG GLU A 44 9.323 3.478 -5.703 1.00 0.00 C ATOM 719 CD GLU A 44 9.264 4.779 -6.511 1.00 0.00 C ATOM 720 OE1 GLU A 44 8.264 4.994 -7.175 1.00 0.00 O ATOM 721 OE2 GLU A 44 10.218 5.535 -6.449 1.00 0.00 O ATOM 0 H GLU A 44 7.781 1.434 -4.654 1.00 0.00 H new ATOM 0 HA GLU A 44 7.049 2.952 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.574 1.401 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.433 2.488 -7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.587 3.504 -4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.302 3.373 -5.236 1.00 0.00 H new ATOM 728 N GLU A 45 7.341 -0.301 -7.345 1.00 0.00 N ATOM 729 CA GLU A 45 7.052 -1.442 -8.255 1.00 0.00 C ATOM 730 C GLU A 45 5.543 -1.659 -8.406 1.00 0.00 C ATOM 731 O GLU A 45 5.057 -1.973 -9.475 1.00 0.00 O ATOM 732 CB GLU A 45 7.644 -2.708 -7.639 1.00 0.00 C ATOM 733 CG GLU A 45 8.073 -3.664 -8.745 1.00 0.00 C ATOM 734 CD GLU A 45 6.866 -4.015 -9.619 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.064 -4.825 -9.187 1.00 0.00 O ATOM 736 OE2 GLU A 45 6.767 -3.466 -10.703 1.00 0.00 O ATOM 0 H GLU A 45 7.624 -0.575 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 45 7.482 -1.225 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.499 -2.454 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.908 -3.189 -6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.853 -3.206 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.497 -4.570 -8.312 1.00 0.00 H new ATOM 743 N ILE A 46 4.802 -1.524 -7.338 1.00 0.00 N ATOM 744 CA ILE A 46 3.334 -1.758 -7.422 1.00 0.00 C ATOM 745 C ILE A 46 2.647 -0.496 -7.930 1.00 0.00 C ATOM 746 O ILE A 46 1.709 -0.557 -8.698 1.00 0.00 O ATOM 747 CB ILE A 46 2.794 -2.177 -6.041 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.776 -3.305 -6.221 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.120 -1.005 -5.339 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.491 -4.603 -6.621 1.00 0.00 C ATOM 0 H ILE A 46 5.150 -1.263 -6.415 1.00 0.00 H new ATOM 0 HA ILE A 46 3.125 -2.566 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 46 3.631 -2.513 -5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.222 -3.457 -5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.049 -3.031 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.748 -1.328 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.841 -0.199 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.288 -0.648 -5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.757 -5.399 -6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.024 -4.450 -7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.200 -4.883 -5.842 1.00 0.00 H new ATOM 762 N ASP A 47 3.127 0.652 -7.555 1.00 0.00 N ATOM 763 CA ASP A 47 2.514 1.895 -8.077 1.00 0.00 C ATOM 764 C ASP A 47 2.802 1.906 -9.574 1.00 0.00 C ATOM 765 O ASP A 47 3.726 2.546 -10.034 1.00 0.00 O ATOM 766 CB ASP A 47 3.167 3.105 -7.400 1.00 0.00 C ATOM 767 CG ASP A 47 2.227 4.306 -7.466 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.628 4.511 -8.508 1.00 0.00 O ATOM 769 OD2 ASP A 47 2.124 4.999 -6.469 1.00 0.00 O ATOM 0 H ASP A 47 3.911 0.782 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 47 1.443 1.939 -7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.399 2.870 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.110 3.343 -7.892 1.00 0.00 H new ATOM 774 N VAL A 48 2.055 1.158 -10.341 1.00 0.00 N ATOM 775 CA VAL A 48 2.302 1.054 -11.806 1.00 0.00 C ATOM 776 C VAL A 48 1.808 2.265 -12.580 1.00 0.00 C ATOM 777 O VAL A 48 2.268 2.549 -13.668 1.00 0.00 O ATOM 778 CB VAL A 48 1.480 -0.132 -12.291 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.001 0.092 -11.938 1.00 0.00 C ATOM 780 CG2 VAL A 48 1.615 -0.262 -13.809 1.00 0.00 C ATOM 0 H VAL A 48 1.268 0.604 -10.005 1.00 0.00 H new ATOM 0 HA VAL A 48 3.376 0.963 -11.968 1.00 0.00 H new ATOM 0 HB VAL A 48 1.842 -1.041 -11.810 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.588 -0.757 -12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.104 0.190 -10.858 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.355 1.002 -12.421 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.026 -1.111 -14.155 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.253 0.649 -14.286 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.662 -0.416 -14.069 1.00 0.00 H new ATOM 790 N ASP A 49 0.840 2.938 -12.070 1.00 0.00 N ATOM 791 CA ASP A 49 0.275 4.082 -12.821 1.00 0.00 C ATOM 792 C ASP A 49 1.210 5.273 -12.683 1.00 0.00 C ATOM 793 O ASP A 49 1.145 6.225 -13.435 1.00 0.00 O ATOM 794 CB ASP A 49 -1.129 4.367 -12.279 1.00 0.00 C ATOM 795 CG ASP A 49 -1.293 5.845 -11.922 1.00 0.00 C ATOM 796 OD1 ASP A 49 -1.028 6.677 -12.773 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.691 6.117 -10.802 1.00 0.00 O ATOM 0 H ASP A 49 0.409 2.752 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 49 0.186 3.862 -13.885 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.874 4.085 -13.023 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.313 3.754 -11.396 1.00 0.00 H new ATOM 802 N GLY A 50 2.115 5.202 -11.757 1.00 0.00 N ATOM 803 CA GLY A 50 3.102 6.287 -11.585 1.00 0.00 C ATOM 804 C GLY A 50 2.448 7.578 -11.087 1.00 0.00 C ATOM 805 O GLY A 50 3.080 8.615 -11.046 1.00 0.00 O ATOM 0 H GLY A 50 2.212 4.425 -11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.869 5.972 -10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.603 6.476 -12.534 1.00 0.00 H new ATOM 809 N ASN A 51 1.209 7.541 -10.688 1.00 0.00 N ATOM 810 CA ASN A 51 0.578 8.784 -10.179 1.00 0.00 C ATOM 811 C ASN A 51 1.090 9.000 -8.763 1.00 0.00 C ATOM 812 O ASN A 51 0.622 9.851 -8.034 1.00 0.00 O ATOM 813 CB ASN A 51 -0.945 8.640 -10.160 1.00 0.00 C ATOM 814 CG ASN A 51 -1.580 9.974 -9.765 1.00 0.00 C ATOM 815 OD1 ASN A 51 -1.042 11.024 -10.055 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.710 9.978 -9.113 1.00 0.00 N ATOM 0 H ASN A 51 0.613 6.713 -10.692 1.00 0.00 H new ATOM 0 HA ASN A 51 0.828 9.629 -10.821 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.304 8.331 -11.142 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.238 7.863 -9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.142 10.863 -8.847 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.162 9.096 -8.870 1.00 0.00 H new ATOM 823 N GLY A 52 2.061 8.220 -8.380 1.00 0.00 N ATOM 824 CA GLY A 52 2.626 8.352 -7.019 1.00 0.00 C ATOM 825 C GLY A 52 1.691 7.685 -6.013 1.00 0.00 C ATOM 826 O GLY A 52 1.770 7.925 -4.825 1.00 0.00 O ATOM 0 H GLY A 52 2.486 7.495 -8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.612 7.890 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.756 9.405 -6.768 1.00 0.00 H new ATOM 830 N GLU A 53 0.793 6.856 -6.481 1.00 0.00 N ATOM 831 CA GLU A 53 -0.153 6.184 -5.545 1.00 0.00 C ATOM 832 C GLU A 53 -0.454 4.767 -6.015 1.00 0.00 C ATOM 833 O GLU A 53 -0.355 4.446 -7.182 1.00 0.00 O ATOM 834 CB GLU A 53 -1.471 6.983 -5.477 1.00 0.00 C ATOM 835 CG GLU A 53 -1.229 8.428 -5.923 1.00 0.00 C ATOM 836 CD GLU A 53 -2.531 9.223 -5.798 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.580 8.602 -5.757 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.455 10.440 -5.746 1.00 0.00 O ATOM 0 H GLU A 53 0.675 6.617 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 53 0.308 6.142 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.222 6.517 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.863 6.968 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.451 8.884 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.875 8.448 -6.954 1.00 0.00 H new ATOM 845 N LEU A 54 -0.851 3.925 -5.103 1.00 0.00 N ATOM 846 CA LEU A 54 -1.192 2.543 -5.465 1.00 0.00 C ATOM 847 C LEU A 54 -2.586 2.520 -6.048 1.00 0.00 C ATOM 848 O LEU A 54 -3.488 3.139 -5.530 1.00 0.00 O ATOM 849 CB LEU A 54 -1.256 1.696 -4.209 1.00 0.00 C ATOM 850 CG LEU A 54 0.096 1.534 -3.526 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.271 1.882 -4.445 1.00 0.00 C ATOM 852 CD2 LEU A 54 0.076 2.420 -2.308 1.00 0.00 C ATOM 0 H LEU A 54 -0.951 4.149 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.446 2.169 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.958 2.149 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.648 0.711 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 54 0.248 0.489 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.208 1.748 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.258 1.227 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.184 2.919 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.028 2.338 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.082 3.454 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.732 2.110 -1.646 1.00 0.00 H new ATOM 864 N ASN A 55 -2.786 1.805 -7.102 1.00 0.00 N ATOM 865 CA ASN A 55 -4.160 1.727 -7.673 1.00 0.00 C ATOM 866 C ASN A 55 -4.870 0.540 -7.031 1.00 0.00 C ATOM 867 O ASN A 55 -4.309 -0.172 -6.226 1.00 0.00 O ATOM 868 CB ASN A 55 -4.142 1.541 -9.196 1.00 0.00 C ATOM 869 CG ASN A 55 -2.735 1.211 -9.673 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.769 1.811 -9.240 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.581 0.278 -10.564 1.00 0.00 N ATOM 0 H ASN A 55 -2.071 1.272 -7.597 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.678 2.663 -7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.826 0.741 -9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.495 2.450 -9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.648 0.046 -10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.394 -0.222 -10.924 1.00 0.00 H new ATOM 878 N ALA A 56 -6.106 0.350 -7.358 1.00 0.00 N ATOM 879 CA ALA A 56 -6.890 -0.754 -6.737 1.00 0.00 C ATOM 880 C ALA A 56 -6.295 -2.151 -7.027 1.00 0.00 C ATOM 881 O ALA A 56 -5.942 -2.892 -6.111 1.00 0.00 O ATOM 882 CB ALA A 56 -8.334 -0.643 -7.234 1.00 0.00 C ATOM 0 H ALA A 56 -6.619 0.914 -8.035 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.853 -0.649 -5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.932 -1.441 -6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.746 0.323 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.353 -0.732 -8.320 1.00 0.00 H new ATOM 888 N ASP A 57 -6.166 -2.532 -8.265 1.00 0.00 N ATOM 889 CA ASP A 57 -5.595 -3.884 -8.551 1.00 0.00 C ATOM 890 C ASP A 57 -4.190 -3.974 -7.950 1.00 0.00 C ATOM 891 O ASP A 57 -3.701 -5.038 -7.588 1.00 0.00 O ATOM 892 CB ASP A 57 -5.518 -4.096 -10.065 1.00 0.00 C ATOM 893 CG ASP A 57 -5.213 -5.566 -10.361 1.00 0.00 C ATOM 894 OD1 ASP A 57 -6.053 -6.398 -10.056 1.00 0.00 O ATOM 895 OD2 ASP A 57 -4.147 -5.835 -10.889 1.00 0.00 O ATOM 0 H ASP A 57 -6.425 -1.980 -9.082 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.232 -4.652 -8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.460 -3.808 -10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.743 -3.460 -10.493 1.00 0.00 H new ATOM 900 N GLU A 58 -3.540 -2.858 -7.835 1.00 0.00 N ATOM 901 CA GLU A 58 -2.177 -2.857 -7.271 1.00 0.00 C ATOM 902 C GLU A 58 -2.307 -3.023 -5.768 1.00 0.00 C ATOM 903 O GLU A 58 -1.463 -3.616 -5.128 1.00 0.00 O ATOM 904 CB GLU A 58 -1.434 -1.569 -7.661 1.00 0.00 C ATOM 905 CG GLU A 58 -1.022 -1.643 -9.137 1.00 0.00 C ATOM 906 CD GLU A 58 -0.095 -2.840 -9.375 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.605 -3.906 -9.676 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.106 -2.669 -9.263 1.00 0.00 O ATOM 0 H GLU A 58 -3.898 -1.943 -8.110 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.583 -3.679 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.074 -0.703 -7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.553 -1.440 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.909 -1.732 -9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.517 -0.721 -9.427 1.00 0.00 H new ATOM 915 N PHE A 59 -3.388 -2.558 -5.195 1.00 0.00 N ATOM 916 CA PHE A 59 -3.559 -2.773 -3.739 1.00 0.00 C ATOM 917 C PHE A 59 -3.483 -4.268 -3.503 1.00 0.00 C ATOM 918 O PHE A 59 -2.895 -4.737 -2.549 1.00 0.00 O ATOM 919 CB PHE A 59 -4.954 -2.410 -3.236 1.00 0.00 C ATOM 920 CG PHE A 59 -5.387 -1.028 -3.573 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.461 -0.033 -3.844 1.00 0.00 C ATOM 922 CD2 PHE A 59 -6.756 -0.753 -3.588 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.907 1.244 -4.152 1.00 0.00 C ATOM 924 CE2 PHE A 59 -7.202 0.525 -3.893 1.00 0.00 C ATOM 925 CZ PHE A 59 -6.280 1.521 -4.183 1.00 0.00 C ATOM 0 H PHE A 59 -4.139 -2.052 -5.664 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.806 -2.165 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.673 -3.115 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.980 -2.532 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.403 -0.250 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.467 -1.534 -3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.194 2.026 -4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.260 0.743 -3.905 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.622 2.514 -4.434 1.00 0.00 H new ATOM 935 N THR A 60 -4.102 -5.025 -4.375 1.00 0.00 N ATOM 936 CA THR A 60 -4.100 -6.503 -4.211 1.00 0.00 C ATOM 937 C THR A 60 -2.677 -7.013 -4.281 1.00 0.00 C ATOM 938 O THR A 60 -2.237 -7.749 -3.430 1.00 0.00 O ATOM 939 CB THR A 60 -4.937 -7.129 -5.321 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.210 -7.098 -6.540 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.231 -6.331 -5.469 1.00 0.00 C ATOM 0 H THR A 60 -4.607 -4.679 -5.191 1.00 0.00 H new ATOM 0 HA THR A 60 -4.526 -6.772 -3.245 1.00 0.00 H new ATOM 0 HB THR A 60 -5.169 -8.165 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.493 -6.324 -7.070 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.840 -6.768 -6.260 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.784 -6.357 -4.530 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.994 -5.298 -5.722 1.00 0.00 H new ATOM 949 N SER A 61 -1.948 -6.622 -5.278 1.00 0.00 N ATOM 950 CA SER A 61 -0.539 -7.086 -5.374 1.00 0.00 C ATOM 951 C SER A 61 0.300 -6.364 -4.311 1.00 0.00 C ATOM 952 O SER A 61 1.348 -6.847 -3.871 1.00 0.00 O ATOM 953 CB SER A 61 0.010 -6.763 -6.763 1.00 0.00 C ATOM 954 OG SER A 61 1.329 -7.279 -6.879 1.00 0.00 O ATOM 0 H SER A 61 -2.260 -6.005 -6.028 1.00 0.00 H new ATOM 0 HA SER A 61 -0.494 -8.163 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.631 -7.197 -7.530 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.014 -5.685 -6.923 1.00 0.00 H new ATOM 0 HG SER A 61 1.623 -7.218 -7.812 1.00 0.00 H new ATOM 960 N CYS A 62 -0.198 -5.267 -3.798 1.00 0.00 N ATOM 961 CA CYS A 62 0.541 -4.557 -2.721 1.00 0.00 C ATOM 962 C CYS A 62 0.417 -5.383 -1.457 1.00 0.00 C ATOM 963 O CYS A 62 1.382 -5.645 -0.766 1.00 0.00 O ATOM 964 CB CYS A 62 -0.070 -3.172 -2.500 1.00 0.00 C ATOM 965 SG CYS A 62 0.989 -2.216 -1.387 1.00 0.00 S ATOM 0 H CYS A 62 -1.079 -4.838 -4.079 1.00 0.00 H new ATOM 0 HA CYS A 62 1.589 -4.431 -2.993 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.176 -2.653 -3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.070 -3.267 -2.076 1.00 0.00 H new ATOM 0 HG CYS A 62 1.246 -2.918 -0.323 1.00 0.00 H new ATOM 971 N ILE A 63 -0.771 -5.822 -1.166 1.00 0.00 N ATOM 972 CA ILE A 63 -0.969 -6.663 0.029 1.00 0.00 C ATOM 973 C ILE A 63 -0.468 -8.058 -0.302 1.00 0.00 C ATOM 974 O ILE A 63 0.107 -8.722 0.535 1.00 0.00 O ATOM 975 CB ILE A 63 -2.454 -6.686 0.408 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.772 -5.467 1.277 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.782 -7.956 1.195 1.00 0.00 C ATOM 978 CD1 ILE A 63 -2.142 -4.220 0.664 1.00 0.00 C ATOM 0 H ILE A 63 -1.613 -5.631 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.418 -6.266 0.882 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.051 -6.666 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.851 -5.338 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.392 -5.619 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.840 -7.958 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.557 -8.831 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.183 -7.985 2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.370 -3.354 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.061 -4.350 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.544 -4.064 -0.337 1.00 0.00 H new ATOM 990 N GLU A 64 -0.654 -8.527 -1.514 1.00 0.00 N ATOM 991 CA GLU A 64 -0.156 -9.878 -1.851 1.00 0.00 C ATOM 992 C GLU A 64 1.292 -9.985 -1.423 1.00 0.00 C ATOM 993 O GLU A 64 1.754 -11.061 -1.097 1.00 0.00 O ATOM 994 CB GLU A 64 -0.260 -10.120 -3.358 1.00 0.00 C ATOM 995 CG GLU A 64 -0.142 -11.619 -3.644 1.00 0.00 C ATOM 996 CD GLU A 64 -1.432 -12.323 -3.218 1.00 0.00 C ATOM 997 OE1 GLU A 64 -2.407 -12.225 -3.947 1.00 0.00 O ATOM 998 OE2 GLU A 64 -1.425 -12.948 -2.171 1.00 0.00 O ATOM 0 H GLU A 64 -1.125 -8.031 -2.270 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.758 -10.625 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.211 -9.741 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.528 -9.576 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.041 -11.784 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.708 -12.037 -3.105 1.00 0.00 H new ATOM 1005 N LYS A 65 2.028 -8.892 -1.363 1.00 0.00 N ATOM 1006 CA LYS A 65 3.424 -9.035 -0.878 1.00 0.00 C ATOM 1007 C LYS A 65 3.387 -9.851 0.423 1.00 0.00 C ATOM 1008 O LYS A 65 4.384 -10.353 0.902 1.00 0.00 O ATOM 1009 CB LYS A 65 4.018 -7.655 -0.599 1.00 0.00 C ATOM 1010 CG LYS A 65 5.530 -7.792 -0.412 1.00 0.00 C ATOM 1011 CD LYS A 65 6.237 -6.604 -1.060 1.00 0.00 C ATOM 1012 CE LYS A 65 7.668 -6.497 -0.522 1.00 0.00 C ATOM 1013 NZ LYS A 65 7.633 -6.138 0.922 1.00 0.00 N ATOM 0 H LYS A 65 1.730 -7.951 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 65 4.038 -9.534 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.801 -6.978 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.566 -7.224 0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.772 -7.837 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.879 -8.723 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.254 -6.725 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.690 -5.685 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.191 -7.444 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.222 -5.743 -1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.912 -5.143 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.670 -6.273 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.293 -6.747 1.447 1.00 0.00 H new ATOM 1027 N MET A 66 2.206 -10.001 0.963 1.00 0.00 N ATOM 1028 CA MET A 66 1.985 -10.782 2.187 1.00 0.00 C ATOM 1029 C MET A 66 0.499 -11.127 2.179 1.00 0.00 C ATOM 1030 O MET A 66 -0.176 -10.927 1.189 1.00 0.00 O ATOM 1031 CB MET A 66 2.342 -9.954 3.431 1.00 0.00 C ATOM 1032 CG MET A 66 1.758 -8.535 3.325 1.00 0.00 C ATOM 1033 SD MET A 66 0.223 -8.437 4.281 1.00 0.00 S ATOM 1034 CE MET A 66 0.953 -7.860 5.832 1.00 0.00 C ATOM 0 H MET A 66 1.356 -9.590 0.577 1.00 0.00 H new ATOM 0 HA MET A 66 2.610 -11.675 2.218 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.956 -10.446 4.324 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.425 -9.900 3.539 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.478 -7.806 3.698 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.565 -8.287 2.281 1.00 0.00 H new ATOM 0 HE1 MET A 66 0.713 -8.562 6.630 1.00 0.00 H new ATOM 0 HE2 MET A 66 2.035 -7.792 5.721 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.551 -6.878 6.080 1.00 0.00 H new ATOM 1044 N LEU A 67 -0.021 -11.645 3.233 1.00 0.00 N ATOM 1045 CA LEU A 67 -1.470 -12.001 3.244 1.00 0.00 C ATOM 1046 C LEU A 67 -1.743 -13.024 2.136 1.00 0.00 C ATOM 1047 CB LEU A 67 -2.314 -10.740 3.001 1.00 0.00 C ATOM 1048 CG LEU A 67 -3.730 -10.922 3.570 1.00 0.00 C ATOM 1049 CD1 LEU A 67 -4.368 -12.183 2.983 1.00 0.00 C ATOM 1050 CD2 LEU A 67 -3.673 -11.039 5.102 1.00 0.00 C ATOM 0 H LEU A 67 0.484 -11.843 4.097 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.735 -12.427 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.836 -9.879 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.369 -10.532 1.932 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.331 -10.054 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.371 -12.306 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.425 -12.091 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.762 -13.051 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.682 -11.168 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.063 -11.899 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.234 -10.133 5.520 1.00 0.00 H new TER 1062 LEU A 67