USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ -129:sc= 0.381 (180deg=-0.0681) USER MOD Single : A 5 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -52:sc= 0.0013 USER MOD Single : A 11 GLN : amide:sc= -0.829 K(o=-0.83,f=-0.31) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.074 X(o=-0.074,f=-0.018) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0968 X(o=-0.097,f=-0.45) USER MOD Single : A 33 THR OG1 : rot 107:sc= 1.23 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HE2:sc= -0.126 K(o=-0.13,f=-0.97) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 110:sc= -3.49! USER MOD Single : A 60 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-7.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0814 X(o=-0.081,f=-0.017) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.958 -3.875 9.969 1.00 0.00 N ATOM 21 CA LEU A 2 -11.543 -3.975 8.637 1.00 0.00 C ATOM 22 C LEU A 2 -11.010 -5.201 7.899 1.00 0.00 C ATOM 23 O LEU A 2 -10.214 -5.967 8.441 1.00 0.00 O ATOM 24 CB LEU A 2 -11.244 -2.711 7.828 1.00 0.00 C ATOM 25 CG LEU A 2 -11.890 -1.433 8.363 1.00 0.00 C ATOM 26 CD1 LEU A 2 -11.201 -0.205 7.789 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.377 -1.413 8.040 1.00 0.00 C ATOM 0 HA LEU A 2 -12.622 -4.080 8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.164 -2.567 7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.578 -2.867 6.802 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.773 -1.415 9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.675 0.695 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.148 -0.213 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.285 -0.215 6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.821 -0.496 8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.515 -1.454 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.861 -2.274 8.501 1.00 0.00 H new ATOM 39 N LYS A 3 -11.456 -5.377 6.661 1.00 0.00 N ATOM 40 CA LYS A 3 -11.025 -6.507 5.845 1.00 0.00 C ATOM 41 C LYS A 3 -9.910 -6.094 4.890 1.00 0.00 C ATOM 42 O LYS A 3 -9.855 -4.947 4.447 1.00 0.00 O ATOM 43 CB LYS A 3 -12.209 -7.064 5.051 1.00 0.00 C ATOM 44 CG LYS A 3 -12.135 -8.565 4.823 1.00 0.00 C ATOM 45 CD LYS A 3 -11.622 -8.893 3.429 1.00 0.00 C ATOM 46 CE LYS A 3 -12.539 -8.336 2.349 1.00 0.00 C ATOM 47 NZ LYS A 3 -13.264 -9.417 1.625 1.00 0.00 N ATOM 0 H LYS A 3 -12.116 -4.752 6.199 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.641 -7.281 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.133 -6.830 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.258 -6.560 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.479 -9.015 5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.123 -9.004 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.620 -8.483 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.540 -9.974 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.260 -7.655 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.952 -7.754 1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.144 -9.289 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.879 -10.341 1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.276 -9.376 1.863 1.00 0.00 H new ATOM 61 N LEU A 4 -9.025 -7.034 4.575 1.00 0.00 N ATOM 62 CA LEU A 4 -7.913 -6.762 3.669 1.00 0.00 C ATOM 63 C LEU A 4 -8.031 -7.592 2.397 1.00 0.00 C ATOM 64 O LEU A 4 -8.543 -8.711 2.418 1.00 0.00 O ATOM 65 CB LEU A 4 -6.580 -7.053 4.359 1.00 0.00 C ATOM 66 CG LEU A 4 -5.339 -6.590 3.588 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.620 -5.482 4.343 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.398 -7.758 3.333 1.00 0.00 C ATOM 0 H LEU A 4 -9.055 -7.989 4.932 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.950 -5.707 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.582 -6.573 5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.503 -8.127 4.531 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.665 -6.195 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.742 -5.168 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.292 -4.633 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.310 -5.850 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.524 -7.408 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.082 -8.185 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.913 -8.519 2.747 1.00 0.00 H new ATOM 80 N ASN A 5 -7.552 -7.035 1.289 1.00 0.00 N ATOM 81 CA ASN A 5 -7.602 -7.724 0.004 1.00 0.00 C ATOM 82 C ASN A 5 -6.258 -7.633 -0.713 1.00 0.00 C ATOM 83 O ASN A 5 -5.328 -6.989 -0.230 1.00 0.00 O ATOM 84 CB ASN A 5 -8.705 -7.129 -0.872 1.00 0.00 C ATOM 85 CG ASN A 5 -9.524 -8.194 -1.573 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.658 -9.316 -1.082 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.079 -7.849 -2.730 1.00 0.00 N ATOM 0 H ASN A 5 -7.125 -6.109 1.255 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.823 -8.775 0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.363 -6.515 -0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.258 -6.470 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.641 -8.525 -3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.943 -6.909 -3.101 1.00 0.00 H new ATOM 94 N LEU A 6 -6.164 -8.284 -1.868 1.00 0.00 N ATOM 95 CA LEU A 6 -4.933 -8.274 -2.651 1.00 0.00 C ATOM 96 C LEU A 6 -5.235 -8.378 -4.142 1.00 0.00 C ATOM 97 O LEU A 6 -5.718 -9.405 -4.619 1.00 0.00 O ATOM 98 CB LEU A 6 -4.024 -9.427 -2.222 1.00 0.00 C ATOM 99 CG LEU A 6 -3.465 -9.317 -0.801 1.00 0.00 C ATOM 100 CD1 LEU A 6 -2.927 -10.661 -0.333 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.379 -8.254 -0.738 1.00 0.00 C ATOM 0 H LEU A 6 -6.924 -8.824 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.422 -7.329 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.582 -10.360 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.190 -9.491 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.275 -9.022 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.534 -10.563 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.731 -11.397 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.130 -10.987 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.992 -8.189 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.569 -8.520 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.796 -7.290 -1.030 1.00 0.00 H new ATOM 113 N LYS A 7 -4.949 -7.305 -4.874 1.00 0.00 N ATOM 114 CA LYS A 7 -5.190 -7.274 -6.311 1.00 0.00 C ATOM 115 C LYS A 7 -3.998 -7.841 -7.076 1.00 0.00 C ATOM 116 O LYS A 7 -2.979 -8.196 -6.483 1.00 0.00 O ATOM 117 CB LYS A 7 -5.471 -5.842 -6.772 1.00 0.00 C ATOM 118 CG LYS A 7 -6.749 -5.258 -6.192 1.00 0.00 C ATOM 119 CD LYS A 7 -7.983 -5.940 -6.758 1.00 0.00 C ATOM 120 CE LYS A 7 -9.081 -4.936 -7.071 1.00 0.00 C ATOM 121 NZ LYS A 7 -10.427 -5.574 -7.096 1.00 0.00 N ATOM 0 H LYS A 7 -4.550 -6.446 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.062 -7.894 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.631 -5.207 -6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.534 -5.825 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.739 -5.365 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.792 -4.190 -6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.716 -6.483 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.354 -6.675 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.070 -4.141 -6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.882 -4.470 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.148 -4.856 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.446 -6.315 -7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.628 -5.997 -6.167 1.00 0.00 H new ATOM 135 N LYS A 8 -4.133 -7.922 -8.396 1.00 0.00 N ATOM 136 CA LYS A 8 -3.067 -8.447 -9.243 1.00 0.00 C ATOM 137 C LYS A 8 -1.908 -7.459 -9.332 1.00 0.00 C ATOM 138 O LYS A 8 -0.747 -7.858 -9.430 1.00 0.00 O ATOM 139 CB LYS A 8 -3.604 -8.748 -10.643 1.00 0.00 C ATOM 140 CG LYS A 8 -4.791 -9.697 -10.648 1.00 0.00 C ATOM 141 CD LYS A 8 -6.109 -8.941 -10.647 1.00 0.00 C ATOM 142 CE LYS A 8 -7.186 -9.692 -11.414 1.00 0.00 C ATOM 143 NZ LYS A 8 -8.466 -9.759 -10.654 1.00 0.00 N ATOM 0 H LYS A 8 -4.969 -7.631 -8.902 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.700 -9.370 -8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.895 -7.812 -11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.804 -9.177 -11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.740 -10.340 -11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.742 -10.347 -9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.437 -8.782 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.965 -7.956 -11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.358 -9.202 -12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.839 -10.702 -11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.174 -10.279 -11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.308 -10.250 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.811 -8.795 -10.469 1.00 0.00 H new ATOM 157 N SER A 9 -2.229 -6.171 -9.298 1.00 0.00 N ATOM 158 CA SER A 9 -1.213 -5.128 -9.375 1.00 0.00 C ATOM 159 C SER A 9 -0.332 -5.131 -8.128 1.00 0.00 C ATOM 160 O SER A 9 0.868 -4.876 -8.205 1.00 0.00 O ATOM 161 CB SER A 9 -1.871 -3.757 -9.543 1.00 0.00 C ATOM 162 OG SER A 9 -0.986 -2.840 -10.165 1.00 0.00 O ATOM 0 H SER A 9 -3.185 -5.824 -9.218 1.00 0.00 H new ATOM 0 HA SER A 9 -0.585 -5.332 -10.242 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.777 -3.856 -10.141 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.172 -3.373 -8.569 1.00 0.00 H new ATOM 0 HG SER A 9 -0.135 -2.826 -9.679 1.00 0.00 H new ATOM 168 N PHE A 10 -0.940 -5.424 -6.983 1.00 0.00 N ATOM 169 CA PHE A 10 -0.211 -5.462 -5.720 1.00 0.00 C ATOM 170 C PHE A 10 0.699 -6.685 -5.654 1.00 0.00 C ATOM 171 O PHE A 10 1.760 -6.648 -5.032 1.00 0.00 O ATOM 172 CB PHE A 10 -1.188 -5.476 -4.545 1.00 0.00 C ATOM 173 CG PHE A 10 -0.557 -5.099 -3.234 1.00 0.00 C ATOM 174 CD1 PHE A 10 0.103 -6.048 -2.469 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.623 -3.795 -2.768 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.685 -5.704 -1.265 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.043 -3.446 -1.562 1.00 0.00 C ATOM 178 CZ PHE A 10 0.612 -4.401 -0.810 1.00 0.00 C ATOM 0 H PHE A 10 -1.934 -5.638 -6.904 1.00 0.00 H new ATOM 0 HA PHE A 10 0.408 -4.567 -5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.007 -4.788 -4.756 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.623 -6.472 -4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.163 -7.068 -2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.133 -3.044 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.197 -6.453 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.102 -2.427 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.066 -4.130 0.132 1.00 0.00 H new ATOM 188 N GLN A 11 0.278 -7.765 -6.303 1.00 0.00 N ATOM 189 CA GLN A 11 1.056 -8.999 -6.318 1.00 0.00 C ATOM 190 C GLN A 11 2.336 -8.824 -7.130 1.00 0.00 C ATOM 191 O GLN A 11 3.398 -9.314 -6.746 1.00 0.00 O ATOM 192 CB GLN A 11 0.224 -10.144 -6.897 1.00 0.00 C ATOM 193 CG GLN A 11 -0.834 -10.672 -5.940 1.00 0.00 C ATOM 194 CD GLN A 11 -0.233 -11.351 -4.725 1.00 0.00 C ATOM 195 OE1 GLN A 11 -0.054 -12.569 -4.706 1.00 0.00 O ATOM 196 NE2 GLN A 11 0.081 -10.565 -3.702 1.00 0.00 N ATOM 0 H GLN A 11 -0.597 -7.811 -6.825 1.00 0.00 H new ATOM 0 HA GLN A 11 1.328 -9.241 -5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.262 -9.803 -7.811 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.890 -10.961 -7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.468 -9.848 -5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.475 -11.379 -6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.085 -9.560 -3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.488 -10.966 -2.857 1.00 0.00 H new ATOM 205 N LYS A 12 2.228 -8.124 -8.254 1.00 0.00 N ATOM 206 CA LYS A 12 3.378 -7.885 -9.120 1.00 0.00 C ATOM 207 C LYS A 12 4.168 -6.657 -8.669 1.00 0.00 C ATOM 208 O LYS A 12 5.263 -6.401 -9.167 1.00 0.00 O ATOM 209 CB LYS A 12 2.922 -7.709 -10.571 1.00 0.00 C ATOM 210 CG LYS A 12 2.032 -6.496 -10.786 1.00 0.00 C ATOM 211 CD LYS A 12 2.823 -5.308 -11.308 1.00 0.00 C ATOM 212 CE LYS A 12 1.919 -4.119 -11.592 1.00 0.00 C ATOM 213 NZ LYS A 12 2.573 -3.128 -12.490 1.00 0.00 N ATOM 0 H LYS A 12 1.356 -7.712 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 12 4.033 -8.754 -9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.800 -7.623 -11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.385 -8.604 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.240 -6.745 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.548 -6.228 -9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.580 -5.024 -10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.350 -5.592 -12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.993 -4.468 -12.049 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.649 -3.636 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.925 -2.333 -12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.444 -2.776 -12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.808 -3.582 -13.396 1.00 0.00 H new ATOM 227 N ASP A 13 3.612 -5.901 -7.726 1.00 0.00 N ATOM 228 CA ASP A 13 4.275 -4.706 -7.217 1.00 0.00 C ATOM 229 C ASP A 13 5.157 -5.039 -6.015 1.00 0.00 C ATOM 230 O ASP A 13 6.141 -4.355 -5.751 1.00 0.00 O ATOM 231 CB ASP A 13 3.237 -3.651 -6.828 1.00 0.00 C ATOM 232 CG ASP A 13 3.026 -2.618 -7.916 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.899 -1.739 -8.077 1.00 0.00 O ATOM 234 OD2 ASP A 13 1.988 -2.687 -8.607 1.00 0.00 O ATOM 0 H ASP A 13 2.706 -6.095 -7.300 1.00 0.00 H new ATOM 0 HA ASP A 13 4.910 -4.308 -8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.289 -4.142 -6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.556 -3.151 -5.914 1.00 0.00 H new ATOM 239 N PHE A 14 4.791 -6.097 -5.297 1.00 0.00 N ATOM 240 CA PHE A 14 5.532 -6.543 -4.129 1.00 0.00 C ATOM 241 C PHE A 14 6.585 -7.570 -4.530 1.00 0.00 C ATOM 242 O PHE A 14 7.784 -7.293 -4.490 1.00 0.00 O ATOM 243 CB PHE A 14 4.567 -7.140 -3.100 1.00 0.00 C ATOM 244 CG PHE A 14 5.155 -7.293 -1.731 1.00 0.00 C ATOM 245 CD1 PHE A 14 5.887 -6.266 -1.156 1.00 0.00 C ATOM 246 CD2 PHE A 14 4.975 -8.467 -1.014 1.00 0.00 C ATOM 247 CE1 PHE A 14 6.428 -6.406 0.106 1.00 0.00 C ATOM 248 CE2 PHE A 14 5.516 -8.611 0.248 1.00 0.00 C ATOM 249 CZ PHE A 14 6.242 -7.580 0.809 1.00 0.00 C ATOM 0 H PHE A 14 3.972 -6.667 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 14 6.040 -5.688 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.683 -6.506 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.234 -8.116 -3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.036 -5.346 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.406 -9.276 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.996 -5.598 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.371 -9.530 0.796 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.664 -7.691 1.797 1.00 0.00 H new ATOM 259 N ASP A 15 6.119 -8.755 -4.926 1.00 0.00 N ATOM 260 CA ASP A 15 7.003 -9.840 -5.347 1.00 0.00 C ATOM 261 C ASP A 15 8.030 -9.353 -6.362 1.00 0.00 C ATOM 262 O ASP A 15 9.228 -9.593 -6.211 1.00 0.00 O ATOM 263 CB ASP A 15 6.182 -10.982 -5.950 1.00 0.00 C ATOM 264 CG ASP A 15 6.938 -12.297 -5.956 1.00 0.00 C ATOM 265 OD1 ASP A 15 8.186 -12.264 -5.994 1.00 0.00 O ATOM 266 OD2 ASP A 15 6.282 -13.359 -5.925 1.00 0.00 O ATOM 0 H ASP A 15 5.127 -8.988 -4.964 1.00 0.00 H new ATOM 0 HA ASP A 15 7.536 -10.200 -4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.258 -11.100 -5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.900 -10.724 -6.971 1.00 0.00 H new ATOM 271 N LYS A 16 7.554 -8.667 -7.393 1.00 0.00 N ATOM 272 CA LYS A 16 8.431 -8.147 -8.432 1.00 0.00 C ATOM 273 C LYS A 16 9.326 -7.033 -7.893 1.00 0.00 C ATOM 274 O LYS A 16 10.300 -6.647 -8.537 1.00 0.00 O ATOM 275 CB LYS A 16 7.612 -7.628 -9.612 1.00 0.00 C ATOM 276 CG LYS A 16 8.263 -7.877 -10.963 1.00 0.00 C ATOM 277 CD LYS A 16 7.663 -9.088 -11.658 1.00 0.00 C ATOM 278 CE LYS A 16 8.242 -10.387 -11.119 1.00 0.00 C ATOM 279 NZ LYS A 16 7.226 -11.183 -10.377 1.00 0.00 N ATOM 0 H LYS A 16 6.565 -8.458 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 16 9.066 -8.966 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.631 -8.102 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.450 -6.557 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.141 -6.997 -11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.334 -8.027 -10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.581 -9.087 -11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.850 -9.023 -12.730 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.635 -10.980 -11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.081 -10.164 -10.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.661 -12.060 -10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.869 -10.628 -9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.437 -11.418 -11.013 1.00 0.00 H new ATOM 293 N LEU A 17 8.999 -6.524 -6.706 1.00 0.00 N ATOM 294 CA LEU A 17 9.793 -5.465 -6.097 1.00 0.00 C ATOM 295 C LEU A 17 10.883 -6.066 -5.232 1.00 0.00 C ATOM 296 O LEU A 17 12.067 -5.777 -5.406 1.00 0.00 O ATOM 297 CB LEU A 17 8.912 -4.539 -5.256 1.00 0.00 C ATOM 298 CG LEU A 17 8.654 -3.160 -5.867 1.00 0.00 C ATOM 299 CD1 LEU A 17 7.770 -2.324 -4.950 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.970 -2.442 -6.138 1.00 0.00 C ATOM 0 H LEU A 17 8.197 -6.826 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 17 10.249 -4.877 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.954 -5.030 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.379 -4.406 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 17 8.133 -3.297 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.598 -1.347 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.815 -2.830 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.263 -2.196 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.768 -1.463 -6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.516 -2.318 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.569 -3.030 -6.833 1.00 0.00 H new ATOM 312 N LEU A 18 10.470 -6.910 -4.297 1.00 0.00 N ATOM 313 CA LEU A 18 11.413 -7.565 -3.394 1.00 0.00 C ATOM 314 C LEU A 18 12.503 -8.305 -4.168 1.00 0.00 C ATOM 315 O LEU A 18 13.608 -8.504 -3.665 1.00 0.00 O ATOM 316 CB LEU A 18 10.672 -8.532 -2.485 1.00 0.00 C ATOM 317 CG LEU A 18 9.390 -7.966 -1.885 1.00 0.00 C ATOM 318 CD1 LEU A 18 8.213 -8.871 -2.194 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.551 -7.766 -0.392 1.00 0.00 C ATOM 0 H LEU A 18 9.493 -7.158 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 18 11.894 -6.795 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.429 -9.432 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.336 -8.834 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 18 9.191 -6.994 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.307 -8.451 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.091 -8.954 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.394 -9.860 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.628 -7.361 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.773 -8.722 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.369 -7.070 -0.204 1.00 0.00 H new ATOM 331 N LEU A 19 12.185 -8.707 -5.396 1.00 0.00 N ATOM 332 CA LEU A 19 13.140 -9.423 -6.236 1.00 0.00 C ATOM 333 C LEU A 19 13.961 -8.452 -7.077 1.00 0.00 C ATOM 334 O LEU A 19 15.144 -8.684 -7.334 1.00 0.00 O ATOM 335 CB LEU A 19 12.408 -10.411 -7.145 1.00 0.00 C ATOM 336 CG LEU A 19 11.848 -11.649 -6.442 1.00 0.00 C ATOM 337 CD1 LEU A 19 10.925 -12.419 -7.373 1.00 0.00 C ATOM 338 CD2 LEU A 19 12.980 -12.540 -5.952 1.00 0.00 C ATOM 0 H LEU A 19 11.276 -8.549 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 19 13.819 -9.973 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.587 -9.889 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.093 -10.736 -7.928 1.00 0.00 H new ATOM 0 HG LEU A 19 11.269 -11.323 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.536 -13.296 -6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.096 -11.779 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.480 -12.735 -8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.564 -13.416 -5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.586 -12.858 -6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.602 -11.985 -5.250 1.00 0.00 H new ATOM 350 N ASN A 20 13.327 -7.365 -7.507 1.00 0.00 N ATOM 351 CA ASN A 20 14.001 -6.359 -8.321 1.00 0.00 C ATOM 352 C ASN A 20 15.154 -5.715 -7.557 1.00 0.00 C ATOM 353 O ASN A 20 16.088 -5.183 -8.156 1.00 0.00 O ATOM 354 CB ASN A 20 13.007 -5.285 -8.767 1.00 0.00 C ATOM 355 CG ASN A 20 13.642 -4.245 -9.668 1.00 0.00 C ATOM 356 OD1 ASN A 20 13.686 -4.406 -10.887 1.00 0.00 O ATOM 357 ND2 ASN A 20 14.140 -3.168 -9.069 1.00 0.00 N ATOM 0 H ASN A 20 12.349 -7.159 -7.306 1.00 0.00 H new ATOM 0 HA ASN A 20 14.409 -6.857 -9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.177 -5.758 -9.292 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.589 -4.794 -7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.580 -2.434 -9.623 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.082 -3.076 -8.055 1.00 0.00 H new ATOM 364 N GLY A 21 15.084 -5.765 -6.231 1.00 0.00 N ATOM 365 CA GLY A 21 16.129 -5.181 -5.409 1.00 0.00 C ATOM 366 C GLY A 21 15.574 -4.327 -4.287 1.00 0.00 C ATOM 367 O GLY A 21 16.086 -3.242 -4.011 1.00 0.00 O ATOM 0 H GLY A 21 14.322 -6.200 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.742 -5.977 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.783 -4.573 -6.035 1.00 0.00 H new ATOM 371 N PHE A 22 14.524 -4.819 -3.637 1.00 0.00 N ATOM 372 CA PHE A 22 13.897 -4.097 -2.536 1.00 0.00 C ATOM 373 C PHE A 22 14.091 -4.844 -1.221 1.00 0.00 C ATOM 374 O PHE A 22 13.717 -6.011 -1.098 1.00 0.00 O ATOM 375 CB PHE A 22 12.403 -3.901 -2.811 1.00 0.00 C ATOM 376 CG PHE A 22 11.685 -3.156 -1.723 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.218 -3.821 -0.602 1.00 0.00 C ATOM 378 CD2 PHE A 22 11.478 -1.790 -1.824 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.558 -3.137 0.402 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.817 -1.100 -0.824 1.00 0.00 C ATOM 381 CZ PHE A 22 10.359 -1.776 0.290 1.00 0.00 C ATOM 0 H PHE A 22 14.089 -5.716 -3.854 1.00 0.00 H new ATOM 0 HA PHE A 22 14.374 -3.120 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 22 12.283 -3.361 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.935 -4.877 -2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.371 -4.886 -0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.837 -1.258 -2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.199 -3.667 1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.659 -0.035 -0.914 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.845 -1.239 1.074 1.00 0.00 H new ATOM 391 N ASP A 23 14.678 -4.165 -0.240 1.00 0.00 N ATOM 392 CA ASP A 23 14.919 -4.768 1.066 1.00 0.00 C ATOM 393 C ASP A 23 13.619 -5.285 1.675 1.00 0.00 C ATOM 394 O ASP A 23 12.808 -4.510 2.179 1.00 0.00 O ATOM 395 CB ASP A 23 15.569 -3.753 2.009 1.00 0.00 C ATOM 396 CG ASP A 23 16.607 -4.385 2.914 1.00 0.00 C ATOM 397 OD1 ASP A 23 17.233 -5.382 2.494 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.793 -3.886 4.044 1.00 0.00 O ATOM 0 H ASP A 23 14.995 -3.199 -0.325 1.00 0.00 H new ATOM 0 HA ASP A 23 15.596 -5.611 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.037 -2.963 1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.798 -3.283 2.619 1.00 0.00 H new ATOM 403 N ASP A 24 13.430 -6.599 1.622 1.00 0.00 N ATOM 404 CA ASP A 24 12.227 -7.223 2.168 1.00 0.00 C ATOM 405 C ASP A 24 12.027 -6.839 3.632 1.00 0.00 C ATOM 406 O ASP A 24 10.900 -6.794 4.121 1.00 0.00 O ATOM 407 CB ASP A 24 12.312 -8.744 2.034 1.00 0.00 C ATOM 408 CG ASP A 24 13.638 -9.296 2.520 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.116 -8.841 3.581 1.00 0.00 O ATOM 410 OD2 ASP A 24 14.197 -10.182 1.841 1.00 0.00 O ATOM 0 H ASP A 24 14.093 -7.254 1.207 1.00 0.00 H new ATOM 0 HA ASP A 24 11.371 -6.861 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.502 -9.201 2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.167 -9.022 0.990 1.00 0.00 H new ATOM 415 N SER A 25 13.126 -6.566 4.325 1.00 0.00 N ATOM 416 CA SER A 25 13.069 -6.187 5.734 1.00 0.00 C ATOM 417 C SER A 25 12.169 -4.971 5.940 1.00 0.00 C ATOM 418 O SER A 25 11.596 -4.785 7.015 1.00 0.00 O ATOM 419 CB SER A 25 14.473 -5.890 6.261 1.00 0.00 C ATOM 420 OG SER A 25 14.620 -6.332 7.601 1.00 0.00 O ATOM 0 H SER A 25 14.068 -6.600 3.935 1.00 0.00 H new ATOM 0 HA SER A 25 12.648 -7.025 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.213 -6.381 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.667 -4.819 6.205 1.00 0.00 H new ATOM 0 HG SER A 25 15.527 -6.132 7.914 1.00 0.00 H new ATOM 426 N VAL A 26 12.050 -4.143 4.907 1.00 0.00 N ATOM 427 CA VAL A 26 11.223 -2.945 4.976 1.00 0.00 C ATOM 428 C VAL A 26 9.738 -3.296 4.959 1.00 0.00 C ATOM 429 O VAL A 26 8.928 -2.639 5.613 1.00 0.00 O ATOM 430 CB VAL A 26 11.525 -1.986 3.809 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.759 -0.682 3.972 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.020 -1.724 3.702 1.00 0.00 C ATOM 0 H VAL A 26 12.517 -4.281 4.011 1.00 0.00 H new ATOM 0 HA VAL A 26 11.465 -2.450 5.917 1.00 0.00 H new ATOM 0 HB VAL A 26 11.196 -2.460 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.987 -0.019 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.689 -0.888 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.052 -0.202 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.212 -1.044 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.378 -1.275 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.543 -2.665 3.529 1.00 0.00 H new ATOM 442 N LEU A 27 9.388 -4.332 4.204 1.00 0.00 N ATOM 443 CA LEU A 27 8.000 -4.765 4.095 1.00 0.00 C ATOM 444 C LEU A 27 7.426 -5.128 5.463 1.00 0.00 C ATOM 445 O LEU A 27 6.256 -4.875 5.743 1.00 0.00 O ATOM 446 CB LEU A 27 7.890 -5.960 3.140 1.00 0.00 C ATOM 447 CG LEU A 27 8.202 -7.329 3.755 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.920 -8.019 4.198 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.964 -8.198 2.762 1.00 0.00 C ATOM 0 H LEU A 27 10.047 -4.887 3.658 1.00 0.00 H new ATOM 0 HA LEU A 27 7.418 -3.935 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.879 -5.986 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.566 -5.796 2.301 1.00 0.00 H new ATOM 0 HG LEU A 27 8.831 -7.179 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.160 -8.989 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.414 -7.404 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.266 -8.159 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.177 -9.166 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.360 -8.342 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.900 -7.709 2.494 1.00 0.00 H new ATOM 461 N ASN A 28 8.258 -5.723 6.310 1.00 0.00 N ATOM 462 CA ASN A 28 7.834 -6.125 7.646 1.00 0.00 C ATOM 463 C ASN A 28 7.324 -4.930 8.450 1.00 0.00 C ATOM 464 O ASN A 28 6.611 -5.098 9.439 1.00 0.00 O ATOM 465 CB ASN A 28 8.991 -6.800 8.387 1.00 0.00 C ATOM 466 CG ASN A 28 8.692 -8.248 8.728 1.00 0.00 C ATOM 467 OD1 ASN A 28 8.081 -8.969 7.939 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.122 -8.678 9.908 1.00 0.00 N ATOM 0 H ASN A 28 9.232 -5.938 6.095 1.00 0.00 H new ATOM 0 HA ASN A 28 7.014 -6.835 7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.890 -6.752 7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.202 -6.250 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.950 -9.642 10.193 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.624 -8.044 10.530 1.00 0.00 H new ATOM 475 N GLU A 29 7.699 -3.726 8.028 1.00 0.00 N ATOM 476 CA GLU A 29 7.281 -2.512 8.720 1.00 0.00 C ATOM 477 C GLU A 29 5.965 -1.976 8.159 1.00 0.00 C ATOM 478 O GLU A 29 5.128 -1.465 8.904 1.00 0.00 O ATOM 479 CB GLU A 29 8.366 -1.440 8.605 1.00 0.00 C ATOM 480 CG GLU A 29 9.627 -1.763 9.388 1.00 0.00 C ATOM 481 CD GLU A 29 10.412 -0.523 9.767 1.00 0.00 C ATOM 482 OE1 GLU A 29 10.845 0.208 8.852 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.595 -0.284 10.980 1.00 0.00 O ATOM 0 H GLU A 29 8.290 -3.565 7.212 1.00 0.00 H new ATOM 0 HA GLU A 29 7.127 -2.763 9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.625 -1.308 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.964 -0.489 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.359 -2.309 10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.260 -2.422 8.794 1.00 0.00 H new ATOM 490 N VAL A 30 5.794 -2.078 6.846 1.00 0.00 N ATOM 491 CA VAL A 30 4.583 -1.584 6.195 1.00 0.00 C ATOM 492 C VAL A 30 3.495 -2.657 6.109 1.00 0.00 C ATOM 493 O VAL A 30 2.327 -2.383 6.385 1.00 0.00 O ATOM 494 CB VAL A 30 4.885 -1.044 4.781 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.388 -2.155 3.871 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.651 -0.379 4.190 1.00 0.00 C ATOM 0 H VAL A 30 6.475 -2.496 6.212 1.00 0.00 H new ATOM 0 HA VAL A 30 4.212 -0.770 6.817 1.00 0.00 H new ATOM 0 HB VAL A 30 5.673 -0.295 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.594 -1.749 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.302 -2.579 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.629 -2.934 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.882 -0.004 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.841 -1.106 4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.344 0.450 4.827 1.00 0.00 H new ATOM 506 N ILE A 31 3.875 -3.869 5.716 1.00 0.00 N ATOM 507 CA ILE A 31 2.914 -4.962 5.590 1.00 0.00 C ATOM 508 C ILE A 31 2.270 -5.297 6.936 1.00 0.00 C ATOM 509 O ILE A 31 1.046 -5.357 7.046 1.00 0.00 O ATOM 510 CB ILE A 31 3.572 -6.232 4.992 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.523 -6.178 3.463 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.890 -7.500 5.494 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.292 -5.018 2.871 1.00 0.00 C ATOM 0 H ILE A 31 4.835 -4.119 5.480 1.00 0.00 H new ATOM 0 HA ILE A 31 2.136 -4.621 4.907 1.00 0.00 H new ATOM 0 HB ILE A 31 4.612 -6.258 5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.923 -7.110 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.483 -6.114 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.375 -8.372 5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.967 -7.549 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.839 -7.486 5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.212 -5.045 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.879 -4.080 3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.341 -5.092 3.159 1.00 0.00 H new ATOM 525 N LEU A 32 3.097 -5.520 7.953 1.00 0.00 N ATOM 526 CA LEU A 32 2.593 -5.857 9.281 1.00 0.00 C ATOM 527 C LEU A 32 1.584 -4.819 9.765 1.00 0.00 C ATOM 528 O LEU A 32 0.597 -5.158 10.414 1.00 0.00 O ATOM 529 CB LEU A 32 3.755 -6.006 10.278 1.00 0.00 C ATOM 530 CG LEU A 32 3.993 -4.823 11.226 1.00 0.00 C ATOM 531 CD1 LEU A 32 4.926 -5.226 12.356 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.558 -3.632 10.465 1.00 0.00 C ATOM 0 H LEU A 32 4.114 -5.474 7.884 1.00 0.00 H new ATOM 0 HA LEU A 32 2.076 -6.814 9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.577 -6.897 10.880 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.670 -6.181 9.713 1.00 0.00 H new ATOM 0 HG LEU A 32 3.036 -4.531 11.658 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.084 -4.375 13.019 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.482 -6.047 12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.882 -5.545 11.942 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.720 -2.803 11.154 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.506 -3.911 10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.854 -3.328 9.691 1.00 0.00 H new ATOM 544 N THR A 33 1.834 -3.555 9.445 1.00 0.00 N ATOM 545 CA THR A 33 0.941 -2.477 9.849 1.00 0.00 C ATOM 546 C THR A 33 -0.412 -2.613 9.157 1.00 0.00 C ATOM 547 O THR A 33 -1.456 -2.343 9.752 1.00 0.00 O ATOM 548 CB THR A 33 1.560 -1.117 9.525 1.00 0.00 C ATOM 549 OG1 THR A 33 2.808 -0.965 10.177 1.00 0.00 O ATOM 550 CG2 THR A 33 0.687 0.051 9.931 1.00 0.00 C ATOM 0 H THR A 33 2.646 -3.252 8.908 1.00 0.00 H new ATOM 0 HA THR A 33 0.791 -2.546 10.926 1.00 0.00 H new ATOM 0 HB THR A 33 1.676 -1.105 8.441 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.531 -1.036 9.520 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.186 0.985 9.673 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.267 -0.008 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.513 0.018 11.006 1.00 0.00 H new ATOM 558 N LEU A 34 -0.385 -3.035 7.899 1.00 0.00 N ATOM 559 CA LEU A 34 -1.607 -3.210 7.123 1.00 0.00 C ATOM 560 C LEU A 34 -2.378 -4.437 7.595 1.00 0.00 C ATOM 561 O LEU A 34 -3.604 -4.484 7.509 1.00 0.00 O ATOM 562 CB LEU A 34 -1.275 -3.339 5.635 1.00 0.00 C ATOM 563 CG LEU A 34 -0.602 -2.116 5.013 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.231 -2.389 3.565 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.511 -0.900 5.113 1.00 0.00 C ATOM 0 H LEU A 34 0.471 -3.263 7.393 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.234 -2.331 7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.624 -4.202 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.196 -3.544 5.090 1.00 0.00 H new ATOM 0 HG LEU A 34 0.313 -1.908 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.247 -1.507 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.458 -3.233 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.131 -2.624 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.016 -0.038 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.443 -1.098 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.726 -0.691 6.161 1.00 0.00 H new ATOM 577 N ARG A 35 -1.649 -5.431 8.095 1.00 0.00 N ATOM 578 CA ARG A 35 -2.263 -6.662 8.582 1.00 0.00 C ATOM 579 C ARG A 35 -2.315 -6.681 10.109 1.00 0.00 C ATOM 580 O ARG A 35 -2.442 -7.742 10.720 1.00 0.00 O ATOM 581 CB ARG A 35 -1.488 -7.881 8.075 1.00 0.00 C ATOM 582 CG ARG A 35 -0.977 -7.735 6.649 1.00 0.00 C ATOM 583 CD ARG A 35 -0.994 -9.063 5.912 1.00 0.00 C ATOM 584 NE ARG A 35 -2.299 -9.716 5.988 1.00 0.00 N ATOM 585 CZ ARG A 35 -2.496 -11.009 5.745 1.00 0.00 C ATOM 586 NH1 ARG A 35 -1.479 -11.792 5.409 1.00 0.00 N ATOM 587 NH2 ARG A 35 -3.716 -11.523 5.837 1.00 0.00 N ATOM 0 H ARG A 35 -0.632 -5.408 8.173 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.283 -6.702 8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.642 -8.063 8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.132 -8.759 8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.593 -7.013 6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.039 -7.339 6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.730 -8.901 4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.234 -9.721 6.334 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.106 -9.147 6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.539 -11.403 5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.637 -12.783 5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.503 -10.927 6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.867 -12.514 5.651 1.00 0.00 H new ATOM 601 N LYS A 36 -2.214 -5.503 10.721 1.00 0.00 N ATOM 602 CA LYS A 36 -2.248 -5.391 12.177 1.00 0.00 C ATOM 603 C LYS A 36 -3.454 -4.584 12.644 1.00 0.00 C ATOM 604 O LYS A 36 -3.473 -4.078 13.766 1.00 0.00 O ATOM 605 CB LYS A 36 -0.967 -4.734 12.680 1.00 0.00 C ATOM 606 CG LYS A 36 0.131 -5.726 13.023 1.00 0.00 C ATOM 607 CD LYS A 36 -0.059 -6.312 14.414 1.00 0.00 C ATOM 608 CE LYS A 36 1.119 -5.991 15.320 1.00 0.00 C ATOM 609 NZ LYS A 36 1.038 -6.720 16.616 1.00 0.00 N ATOM 0 H LYS A 36 -2.108 -4.614 10.232 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.330 -6.397 12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.599 -4.046 11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.197 -4.139 13.564 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.139 -6.530 12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.100 -5.231 12.965 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.975 -5.918 14.854 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.179 -7.393 14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.048 -6.253 14.814 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.150 -4.918 15.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.859 -6.474 17.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.164 -6.451 17.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.034 -7.745 16.438 1.00 0.00 H new ATOM 623 N LYS A 37 -4.454 -4.464 11.776 1.00 0.00 N ATOM 624 CA LYS A 37 -5.669 -3.717 12.093 1.00 0.00 C ATOM 625 C LYS A 37 -5.340 -2.373 12.740 1.00 0.00 C ATOM 626 O LYS A 37 -6.023 -1.934 13.666 1.00 0.00 O ATOM 627 CB LYS A 37 -6.576 -4.536 13.014 1.00 0.00 C ATOM 628 CG LYS A 37 -5.936 -4.895 14.345 1.00 0.00 C ATOM 629 CD LYS A 37 -6.946 -5.507 15.302 1.00 0.00 C ATOM 630 CE LYS A 37 -6.543 -5.290 16.751 1.00 0.00 C ATOM 631 NZ LYS A 37 -7.264 -4.139 17.361 1.00 0.00 N ATOM 0 H LYS A 37 -4.447 -4.876 10.843 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.195 -3.524 11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.491 -3.974 13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.865 -5.453 12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.119 -5.597 14.179 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.503 -4.001 14.794 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.928 -5.067 15.127 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.035 -6.575 15.104 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.750 -6.193 17.325 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.468 -5.116 16.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.961 -4.024 18.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.047 -3.272 16.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.288 -4.316 17.331 1.00 0.00 H new ATOM 645 N GLU A 38 -4.290 -1.725 12.244 1.00 0.00 N ATOM 646 CA GLU A 38 -3.868 -0.434 12.772 1.00 0.00 C ATOM 647 C GLU A 38 -4.189 0.687 11.782 1.00 0.00 C ATOM 648 O GLU A 38 -3.590 0.766 10.711 1.00 0.00 O ATOM 649 CB GLU A 38 -2.368 -0.449 13.071 1.00 0.00 C ATOM 650 CG GLU A 38 -1.864 0.831 13.716 1.00 0.00 C ATOM 651 CD GLU A 38 -0.510 0.656 14.377 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.422 0.168 13.702 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.380 1.007 15.568 1.00 0.00 O ATOM 0 H GLU A 38 -3.716 -2.074 11.476 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.415 -0.249 13.697 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.145 -1.289 13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.822 -0.617 12.142 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.797 1.613 12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.586 1.168 14.459 1.00 0.00 H new ATOM 660 N PRO A 39 -5.140 1.577 12.128 1.00 0.00 N ATOM 661 CA PRO A 39 -5.528 2.692 11.257 1.00 0.00 C ATOM 662 C PRO A 39 -4.412 3.718 11.101 1.00 0.00 C ATOM 663 O PRO A 39 -3.750 4.085 12.073 1.00 0.00 O ATOM 664 CB PRO A 39 -6.728 3.312 11.978 1.00 0.00 C ATOM 665 CG PRO A 39 -6.559 2.920 13.405 1.00 0.00 C ATOM 666 CD PRO A 39 -5.909 1.566 13.387 1.00 0.00 C ATOM 0 HA PRO A 39 -5.752 2.357 10.244 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.741 4.396 11.864 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.669 2.938 11.574 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.941 3.643 13.938 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.521 2.885 13.917 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.263 1.418 14.252 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.648 0.765 13.400 1.00 0.00 H new ATOM 674 N LEU A 40 -4.208 4.181 9.873 1.00 0.00 N ATOM 675 CA LEU A 40 -3.171 5.167 9.588 1.00 0.00 C ATOM 676 C LEU A 40 -3.634 6.569 9.971 1.00 0.00 C ATOM 677 O LEU A 40 -4.753 6.756 10.448 1.00 0.00 O ATOM 678 CB LEU A 40 -2.795 5.129 8.106 1.00 0.00 C ATOM 679 CG LEU A 40 -2.255 3.787 7.609 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.334 3.708 6.093 1.00 0.00 C ATOM 681 CD2 LEU A 40 -0.823 3.583 8.082 1.00 0.00 C ATOM 0 H LEU A 40 -4.747 3.889 9.058 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.294 4.918 10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.674 5.390 7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.045 5.897 7.917 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.872 2.991 8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.945 2.746 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.372 3.810 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.741 4.511 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.453 2.624 7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.194 4.384 7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.795 3.595 9.172 1.00 0.00 H new ATOM 693 N ASP A 41 -2.764 7.552 9.758 1.00 0.00 N ATOM 694 CA ASP A 41 -3.083 8.938 10.081 1.00 0.00 C ATOM 695 C ASP A 41 -3.205 9.780 8.812 1.00 0.00 C ATOM 696 O ASP A 41 -2.631 9.441 7.777 1.00 0.00 O ATOM 697 CB ASP A 41 -2.009 9.529 10.996 1.00 0.00 C ATOM 698 CG ASP A 41 -1.892 8.778 12.309 1.00 0.00 C ATOM 699 OD1 ASP A 41 -1.105 7.811 12.371 1.00 0.00 O ATOM 700 OD2 ASP A 41 -2.587 9.161 13.275 1.00 0.00 O ATOM 0 H ASP A 41 -1.834 7.414 9.363 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.042 8.953 10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.048 9.510 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.242 10.574 11.198 1.00 0.00 H new ATOM 705 N PRO A 42 -3.954 10.893 8.877 1.00 0.00 N ATOM 706 CA PRO A 42 -4.147 11.785 7.728 1.00 0.00 C ATOM 707 C PRO A 42 -2.861 12.499 7.319 1.00 0.00 C ATOM 708 O PRO A 42 -2.799 13.124 6.260 1.00 0.00 O ATOM 709 CB PRO A 42 -5.184 12.794 8.225 1.00 0.00 C ATOM 710 CG PRO A 42 -5.053 12.778 9.708 1.00 0.00 C ATOM 711 CD PRO A 42 -4.674 11.370 10.073 1.00 0.00 C ATOM 0 HA PRO A 42 -4.460 11.236 6.840 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.992 13.789 7.822 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.190 12.512 7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.294 13.486 10.041 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.989 13.067 10.186 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.043 11.340 10.961 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.551 10.759 10.285 1.00 0.00 H new ATOM 719 N GLN A 43 -1.834 12.404 8.162 1.00 0.00 N ATOM 720 CA GLN A 43 -0.554 13.043 7.878 1.00 0.00 C ATOM 721 C GLN A 43 0.338 12.148 7.016 1.00 0.00 C ATOM 722 O GLN A 43 1.504 12.466 6.784 1.00 0.00 O ATOM 723 CB GLN A 43 0.164 13.389 9.184 1.00 0.00 C ATOM 724 CG GLN A 43 0.466 12.177 10.052 1.00 0.00 C ATOM 725 CD GLN A 43 1.926 12.095 10.453 1.00 0.00 C ATOM 726 OE1 GLN A 43 2.263 12.184 11.633 1.00 0.00 O ATOM 727 NE2 GLN A 43 2.801 11.922 9.469 1.00 0.00 N ATOM 0 H GLN A 43 -1.865 11.892 9.044 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.755 13.958 7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.098 13.900 8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.449 14.088 9.752 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.152 12.215 10.949 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.190 11.271 9.513 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.477 11.853 8.504 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.797 11.858 9.678 1.00 0.00 H new ATOM 736 N PHE A 44 -0.212 11.032 6.540 1.00 0.00 N ATOM 737 CA PHE A 44 0.545 10.106 5.705 1.00 0.00 C ATOM 738 C PHE A 44 0.340 10.409 4.221 1.00 0.00 C ATOM 739 O PHE A 44 0.666 9.588 3.363 1.00 0.00 O ATOM 740 CB PHE A 44 0.129 8.663 6.002 1.00 0.00 C ATOM 741 CG PHE A 44 0.757 8.102 7.247 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.331 8.515 8.499 1.00 0.00 C ATOM 743 CD2 PHE A 44 1.770 7.162 7.163 1.00 0.00 C ATOM 744 CE1 PHE A 44 0.906 8.000 9.646 1.00 0.00 C ATOM 745 CE2 PHE A 44 2.349 6.643 8.306 1.00 0.00 C ATOM 746 CZ PHE A 44 1.915 7.063 9.550 1.00 0.00 C ATOM 0 H PHE A 44 -1.176 10.749 6.718 1.00 0.00 H new ATOM 0 HA PHE A 44 1.602 10.231 5.939 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.956 8.619 6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.398 8.034 5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.459 9.247 8.580 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.112 6.830 6.194 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.566 8.331 10.616 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.139 5.911 8.228 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.365 6.659 10.445 1.00 0.00 H new ATOM 756 N GLN A 45 -0.199 11.589 3.923 1.00 0.00 N ATOM 757 CA GLN A 45 -0.441 11.992 2.542 1.00 0.00 C ATOM 758 C GLN A 45 -1.377 11.011 1.843 1.00 0.00 C ATOM 759 O GLN A 45 -1.203 10.703 0.664 1.00 0.00 O ATOM 760 CB GLN A 45 0.880 12.087 1.777 1.00 0.00 C ATOM 761 CG GLN A 45 1.807 13.176 2.294 1.00 0.00 C ATOM 762 CD GLN A 45 3.267 12.775 2.236 1.00 0.00 C ATOM 763 OE1 GLN A 45 3.803 12.489 1.165 1.00 0.00 O ATOM 764 NE2 GLN A 45 3.920 12.751 3.393 1.00 0.00 N ATOM 0 H GLN A 45 -0.476 12.281 4.619 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.917 12.973 2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.393 11.127 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.668 12.272 0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.659 14.082 1.707 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.541 13.416 3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.436 12.996 4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.905 12.488 3.417 1.00 0.00 H new ATOM 773 N ASP A 46 -2.371 10.524 2.578 1.00 0.00 N ATOM 774 CA ASP A 46 -3.336 9.579 2.030 1.00 0.00 C ATOM 775 C ASP A 46 -4.568 10.305 1.498 1.00 0.00 C ATOM 776 O ASP A 46 -5.336 10.886 2.265 1.00 0.00 O ATOM 777 CB ASP A 46 -3.747 8.563 3.097 1.00 0.00 C ATOM 778 CG ASP A 46 -4.445 9.211 4.277 1.00 0.00 C ATOM 779 OD1 ASP A 46 -3.804 10.033 4.965 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.630 8.898 4.511 1.00 0.00 O ATOM 0 H ASP A 46 -2.529 10.769 3.556 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.862 9.053 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.408 7.820 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.862 8.032 3.449 1.00 0.00 H new ATOM 785 N HIS A 47 -4.750 10.267 0.183 1.00 0.00 N ATOM 786 CA HIS A 47 -5.889 10.922 -0.451 1.00 0.00 C ATOM 787 C HIS A 47 -6.096 10.401 -1.869 1.00 0.00 C ATOM 788 O HIS A 47 -5.404 9.486 -2.314 1.00 0.00 O ATOM 789 CB HIS A 47 -5.684 12.438 -0.475 1.00 0.00 C ATOM 790 CG HIS A 47 -4.508 12.869 -1.295 1.00 0.00 C ATOM 791 ND1 HIS A 47 -3.210 12.507 -1.000 1.00 0.00 N ATOM 792 CD2 HIS A 47 -4.438 13.638 -2.408 1.00 0.00 C ATOM 793 CE1 HIS A 47 -2.394 13.035 -1.894 1.00 0.00 C ATOM 794 NE2 HIS A 47 -3.113 13.725 -2.760 1.00 0.00 N ATOM 0 H HIS A 47 -4.124 9.790 -0.465 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.780 10.693 0.134 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.584 12.912 -0.867 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.555 12.795 0.547 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -2.925 11.923 -0.214 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.269 14.097 -2.923 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.320 12.922 -1.913 1.00 0.00 H new ATOM 803 N ALA A 48 -7.056 10.992 -2.577 1.00 0.00 N ATOM 804 CA ALA A 48 -7.355 10.589 -3.945 1.00 0.00 C ATOM 805 C ALA A 48 -6.414 11.266 -4.935 1.00 0.00 C ATOM 806 O ALA A 48 -6.237 12.483 -4.904 1.00 0.00 O ATOM 807 CB ALA A 48 -8.802 10.912 -4.285 1.00 0.00 C ATOM 0 H ALA A 48 -7.639 11.751 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.206 9.512 -4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.012 10.606 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.464 10.377 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.968 11.985 -4.185 1.00 0.00 H new ATOM 813 N LEU A 49 -5.812 10.470 -5.812 1.00 0.00 N ATOM 814 CA LEU A 49 -4.887 10.993 -6.811 1.00 0.00 C ATOM 815 C LEU A 49 -5.641 11.717 -7.922 1.00 0.00 C ATOM 816 O LEU A 49 -6.872 11.718 -7.953 1.00 0.00 O ATOM 817 CB LEU A 49 -4.046 9.861 -7.404 1.00 0.00 C ATOM 818 CG LEU A 49 -3.224 9.066 -6.388 1.00 0.00 C ATOM 819 CD1 LEU A 49 -3.971 7.813 -5.959 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.864 8.706 -6.968 1.00 0.00 C ATOM 0 H LEU A 49 -5.948 9.460 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.226 11.706 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.708 9.174 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.369 10.282 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.068 9.690 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.370 7.261 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.920 8.094 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.159 7.185 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.293 8.141 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.999 8.101 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.325 9.618 -7.224 1.00 0.00 H new ATOM 832 N LYS A 50 -4.895 12.332 -8.833 1.00 0.00 N ATOM 833 CA LYS A 50 -5.492 13.062 -9.946 1.00 0.00 C ATOM 834 C LYS A 50 -5.414 12.249 -11.234 1.00 0.00 C ATOM 835 O LYS A 50 -4.653 11.286 -11.327 1.00 0.00 O ATOM 836 CB LYS A 50 -4.790 14.408 -10.136 1.00 0.00 C ATOM 837 CG LYS A 50 -3.273 14.308 -10.136 1.00 0.00 C ATOM 838 CD LYS A 50 -2.654 15.202 -11.199 1.00 0.00 C ATOM 839 CE LYS A 50 -2.845 14.626 -12.593 1.00 0.00 C ATOM 840 NZ LYS A 50 -1.706 14.957 -13.491 1.00 0.00 N ATOM 0 H LYS A 50 -3.875 12.340 -8.823 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.542 13.238 -9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.117 14.849 -11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.101 15.086 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.889 14.588 -9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.976 13.274 -10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.104 16.193 -11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.590 15.325 -10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.952 13.543 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.770 15.012 -13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.875 14.546 -14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.619 15.990 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.827 14.566 -13.095 1.00 0.00 H new ATOM 854 N GLY A 51 -6.207 12.644 -12.224 1.00 0.00 N ATOM 855 CA GLY A 51 -6.215 11.941 -13.494 1.00 0.00 C ATOM 856 C GLY A 51 -7.051 10.677 -13.455 1.00 0.00 C ATOM 857 O GLY A 51 -8.147 10.668 -12.894 1.00 0.00 O ATOM 0 H GLY A 51 -6.844 13.438 -12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.600 12.603 -14.269 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.192 11.687 -13.771 1.00 0.00 H new ATOM 861 N LYS A 52 -6.533 9.609 -14.053 1.00 0.00 N ATOM 862 CA LYS A 52 -7.240 8.334 -14.083 1.00 0.00 C ATOM 863 C LYS A 52 -7.128 7.601 -12.746 1.00 0.00 C ATOM 864 O LYS A 52 -7.738 6.549 -12.554 1.00 0.00 O ATOM 865 CB LYS A 52 -6.692 7.453 -15.207 1.00 0.00 C ATOM 866 CG LYS A 52 -7.768 6.695 -15.969 1.00 0.00 C ATOM 867 CD LYS A 52 -8.127 7.391 -17.273 1.00 0.00 C ATOM 868 CE LYS A 52 -7.595 6.629 -18.478 1.00 0.00 C ATOM 869 NZ LYS A 52 -6.167 6.948 -18.752 1.00 0.00 N ATOM 0 H LYS A 52 -5.628 9.601 -14.523 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.294 8.542 -14.267 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.135 8.076 -15.906 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.986 6.738 -14.785 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.421 5.683 -16.180 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.659 6.604 -15.347 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.210 7.485 -17.350 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.719 8.402 -17.271 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.701 5.558 -18.306 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.196 6.872 -19.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.843 6.408 -19.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.069 7.966 -18.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.590 6.693 -17.926 1.00 0.00 H new ATOM 883 N TRP A 53 -6.345 8.157 -11.823 1.00 0.00 N ATOM 884 CA TRP A 53 -6.161 7.548 -10.512 1.00 0.00 C ATOM 885 C TRP A 53 -7.088 8.181 -9.477 1.00 0.00 C ATOM 886 O TRP A 53 -6.737 8.295 -8.303 1.00 0.00 O ATOM 887 CB TRP A 53 -4.706 7.691 -10.060 1.00 0.00 C ATOM 888 CG TRP A 53 -3.717 7.215 -11.079 1.00 0.00 C ATOM 889 CD1 TRP A 53 -3.821 6.106 -11.868 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.472 7.836 -11.422 1.00 0.00 C ATOM 891 NE1 TRP A 53 -2.719 5.997 -12.679 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.875 7.047 -12.425 1.00 0.00 C ATOM 893 CE3 TRP A 53 -1.805 8.981 -10.979 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -0.645 7.370 -12.989 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -0.583 9.299 -11.541 1.00 0.00 C ATOM 896 CH2 TRP A 53 -0.013 8.497 -12.537 1.00 0.00 C ATOM 0 H TRP A 53 -5.830 9.026 -11.961 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.409 6.490 -10.596 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.506 8.738 -9.831 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.563 7.130 -9.136 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.650 5.414 -11.856 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.555 5.255 -13.360 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.236 9.606 -10.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.204 6.753 -13.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.059 10.182 -11.206 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.943 8.773 -12.957 1.00 0.00 H new ATOM 907 N LYS A 54 -8.273 8.589 -9.921 1.00 0.00 N ATOM 908 CA LYS A 54 -9.247 9.208 -9.032 1.00 0.00 C ATOM 909 C LYS A 54 -10.022 8.150 -8.249 1.00 0.00 C ATOM 910 O LYS A 54 -10.121 8.223 -7.024 1.00 0.00 O ATOM 911 CB LYS A 54 -10.216 10.087 -9.827 1.00 0.00 C ATOM 912 CG LYS A 54 -10.475 11.441 -9.188 1.00 0.00 C ATOM 913 CD LYS A 54 -11.830 11.999 -9.593 1.00 0.00 C ATOM 914 CE LYS A 54 -11.838 13.519 -9.564 1.00 0.00 C ATOM 915 NZ LYS A 54 -13.209 14.071 -9.747 1.00 0.00 N ATOM 0 H LYS A 54 -8.580 8.502 -10.890 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.705 9.833 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.816 10.239 -10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.164 9.560 -9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.429 11.347 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.691 12.139 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.083 11.652 -10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.598 11.617 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.431 13.866 -8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.185 13.900 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.171 15.110 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.588 13.761 -10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.826 13.728 -8.983 1.00 0.00 H new ATOM 929 N PRO A 55 -10.582 7.147 -8.948 1.00 0.00 N ATOM 930 CA PRO A 55 -11.345 6.071 -8.306 1.00 0.00 C ATOM 931 C PRO A 55 -10.542 5.356 -7.223 1.00 0.00 C ATOM 932 O PRO A 55 -11.107 4.670 -6.370 1.00 0.00 O ATOM 933 CB PRO A 55 -11.655 5.110 -9.460 1.00 0.00 C ATOM 934 CG PRO A 55 -11.570 5.948 -10.689 1.00 0.00 C ATOM 935 CD PRO A 55 -10.513 6.978 -10.412 1.00 0.00 C ATOM 0 HA PRO A 55 -12.233 6.451 -7.801 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.940 4.288 -9.492 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.645 4.668 -9.351 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -11.308 5.343 -11.557 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.528 6.420 -10.907 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.528 6.640 -10.732 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.715 7.913 -10.935 1.00 0.00 H new ATOM 943 N PHE A 56 -9.222 5.518 -7.260 1.00 0.00 N ATOM 944 CA PHE A 56 -8.347 4.885 -6.279 1.00 0.00 C ATOM 945 C PHE A 56 -7.896 5.886 -5.223 1.00 0.00 C ATOM 946 O PHE A 56 -8.234 7.068 -5.287 1.00 0.00 O ATOM 947 CB PHE A 56 -7.129 4.274 -6.975 1.00 0.00 C ATOM 948 CG PHE A 56 -7.481 3.424 -8.162 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.403 2.396 -8.046 1.00 0.00 C ATOM 950 CD2 PHE A 56 -6.889 3.652 -9.394 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.729 1.612 -9.136 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.211 2.872 -10.488 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.132 1.850 -10.359 1.00 0.00 C ATOM 0 H PHE A 56 -8.736 6.081 -7.958 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.910 4.094 -5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.464 5.076 -7.297 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.575 3.669 -6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.872 2.205 -7.092 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.168 4.449 -9.500 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.450 0.814 -9.032 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.743 3.061 -11.443 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.385 1.238 -11.213 1.00 0.00 H new ATOM 963 N ARG A 57 -7.128 5.406 -4.251 1.00 0.00 N ATOM 964 CA ARG A 57 -6.628 6.259 -3.178 1.00 0.00 C ATOM 965 C ARG A 57 -5.157 5.977 -2.899 1.00 0.00 C ATOM 966 O ARG A 57 -4.723 4.825 -2.900 1.00 0.00 O ATOM 967 CB ARG A 57 -7.449 6.046 -1.905 1.00 0.00 C ATOM 968 CG ARG A 57 -7.240 7.129 -0.859 1.00 0.00 C ATOM 969 CD ARG A 57 -8.452 8.042 -0.750 1.00 0.00 C ATOM 970 NE ARG A 57 -9.660 7.305 -0.390 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.894 7.770 -0.575 1.00 0.00 C ATOM 972 NH1 ARG A 57 -11.087 8.969 -1.112 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.938 7.035 -0.221 1.00 0.00 N ATOM 0 H ARG A 57 -6.838 4.430 -4.184 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.726 7.296 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.506 6.005 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.190 5.080 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.043 6.668 0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.361 7.719 -1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.260 8.812 -0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.608 8.553 -1.700 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.552 6.381 0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.287 9.540 -1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.035 9.319 -1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.796 6.114 0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.884 7.391 -0.362 1.00 0.00 H new ATOM 987 N GLU A 58 -4.391 7.037 -2.659 1.00 0.00 N ATOM 988 CA GLU A 58 -2.967 6.903 -2.377 1.00 0.00 C ATOM 989 C GLU A 58 -2.711 6.892 -0.874 1.00 0.00 C ATOM 990 O GLU A 58 -3.534 7.362 -0.090 1.00 0.00 O ATOM 991 CB GLU A 58 -2.185 8.042 -3.032 1.00 0.00 C ATOM 992 CG GLU A 58 -0.827 7.618 -3.567 1.00 0.00 C ATOM 993 CD GLU A 58 0.008 8.794 -4.035 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.281 9.932 -3.611 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.951 8.575 -4.824 1.00 0.00 O ATOM 0 H GLU A 58 -4.733 7.998 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.627 5.955 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.776 8.454 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.046 8.842 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.286 7.080 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.968 6.924 -4.396 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.562 6.349 -0.478 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.199 6.276 0.932 1.00 0.00 C ATOM 1004 C CYS A 59 0.301 6.061 1.096 1.00 0.00 C ATOM 1005 O CYS A 59 0.832 5.011 0.734 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.965 5.145 1.619 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.236 5.404 3.388 1.00 0.00 S ATOM 0 H CYS A 59 -0.869 5.954 -1.114 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.466 7.223 1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.931 5.025 1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.418 4.213 1.479 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.497 5.635 3.605 1.00 0.00 H new ATOM 1013 N HIS A 60 0.981 7.062 1.647 1.00 0.00 N ATOM 1014 CA HIS A 60 2.421 6.982 1.861 1.00 0.00 C ATOM 1015 C HIS A 60 2.738 6.561 3.293 1.00 0.00 C ATOM 1016 O HIS A 60 2.894 7.402 4.176 1.00 0.00 O ATOM 1017 CB HIS A 60 3.079 8.328 1.556 1.00 0.00 C ATOM 1018 CG HIS A 60 2.624 8.940 0.269 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.491 9.293 -0.745 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.384 9.262 -0.171 1.00 0.00 C ATOM 1021 CE1 HIS A 60 2.804 9.805 -1.751 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.524 9.798 -1.428 1.00 0.00 N ATOM 0 H HIS A 60 0.557 7.938 1.953 1.00 0.00 H new ATOM 0 HA HIS A 60 2.821 6.228 1.183 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.868 9.019 2.372 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.160 8.195 1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.458 9.123 0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.219 10.168 -2.680 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.762 10.136 -2.016 1.00 0.00 H new ATOM 1031 N ILE A 61 2.835 5.253 3.513 1.00 0.00 N ATOM 1032 CA ILE A 61 3.139 4.719 4.837 1.00 0.00 C ATOM 1033 C ILE A 61 4.430 5.321 5.387 1.00 0.00 C ATOM 1034 O ILE A 61 4.612 5.423 6.600 1.00 0.00 O ATOM 1035 CB ILE A 61 3.270 3.182 4.808 1.00 0.00 C ATOM 1036 CG1 ILE A 61 2.007 2.552 4.215 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.530 2.640 6.207 1.00 0.00 C ATOM 1038 CD1 ILE A 61 2.124 2.233 2.741 1.00 0.00 C ATOM 0 H ILE A 61 2.708 4.543 2.792 1.00 0.00 H new ATOM 0 HA ILE A 61 2.308 4.991 5.488 1.00 0.00 H new ATOM 0 HB ILE A 61 4.119 2.919 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.778 1.636 4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.167 3.231 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.619 1.554 6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.455 3.066 6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.702 2.911 6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.192 1.789 2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.322 3.149 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.942 1.530 2.585 1.00 0.00 H new ATOM 1050 N LYS A 62 5.320 5.718 4.485 1.00 0.00 N ATOM 1051 CA LYS A 62 6.595 6.311 4.869 1.00 0.00 C ATOM 1052 C LYS A 62 7.125 7.210 3.755 1.00 0.00 C ATOM 1053 O LYS A 62 6.575 7.229 2.652 1.00 0.00 O ATOM 1054 CB LYS A 62 7.615 5.215 5.195 1.00 0.00 C ATOM 1055 CG LYS A 62 7.519 3.998 4.290 1.00 0.00 C ATOM 1056 CD LYS A 62 8.504 2.918 4.703 1.00 0.00 C ATOM 1057 CE LYS A 62 9.889 3.173 4.131 1.00 0.00 C ATOM 1058 NZ LYS A 62 10.955 2.994 5.156 1.00 0.00 N ATOM 0 H LYS A 62 5.181 5.639 3.478 1.00 0.00 H new ATOM 0 HA LYS A 62 6.437 6.919 5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.619 5.633 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.477 4.899 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.505 3.599 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.713 4.294 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.562 2.874 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.143 1.947 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.069 2.493 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.936 4.186 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.884 3.177 4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.799 3.660 5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.927 2.020 5.519 1.00 0.00 H new ATOM 1072 N PRO A 63 8.197 7.976 4.024 1.00 0.00 N ATOM 1073 CA PRO A 63 8.791 8.884 3.035 1.00 0.00 C ATOM 1074 C PRO A 63 9.437 8.152 1.858 1.00 0.00 C ATOM 1075 O PRO A 63 9.971 8.783 0.947 1.00 0.00 O ATOM 1076 CB PRO A 63 9.855 9.656 3.831 1.00 0.00 C ATOM 1077 CG PRO A 63 9.552 9.387 5.267 1.00 0.00 C ATOM 1078 CD PRO A 63 8.912 8.032 5.307 1.00 0.00 C ATOM 0 HA PRO A 63 8.031 9.521 2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.859 9.320 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.810 10.723 3.614 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.461 9.407 5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.884 10.146 5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.652 7.237 5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.233 7.929 6.154 1.00 0.00 H new ATOM 1086 N ASP A 64 9.382 6.827 1.879 1.00 0.00 N ATOM 1087 CA ASP A 64 9.962 6.022 0.809 1.00 0.00 C ATOM 1088 C ASP A 64 9.009 4.909 0.378 1.00 0.00 C ATOM 1089 O ASP A 64 9.440 3.880 -0.143 1.00 0.00 O ATOM 1090 CB ASP A 64 11.295 5.422 1.260 1.00 0.00 C ATOM 1091 CG ASP A 64 12.484 6.241 0.796 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.554 6.555 -0.410 1.00 0.00 O ATOM 1093 OD2 ASP A 64 13.345 6.569 1.640 1.00 0.00 O ATOM 0 H ASP A 64 8.942 6.286 2.624 1.00 0.00 H new ATOM 0 HA ASP A 64 10.134 6.675 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.309 5.350 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.383 4.407 0.873 1.00 0.00 H new ATOM 1098 N VAL A 65 7.712 5.119 0.595 1.00 0.00 N ATOM 1099 CA VAL A 65 6.707 4.129 0.224 1.00 0.00 C ATOM 1100 C VAL A 65 5.345 4.778 0.003 1.00 0.00 C ATOM 1101 O VAL A 65 4.971 5.722 0.701 1.00 0.00 O ATOM 1102 CB VAL A 65 6.571 3.030 1.297 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.531 1.998 0.882 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.912 2.365 1.553 1.00 0.00 C ATOM 0 H VAL A 65 7.335 5.964 1.025 1.00 0.00 H new ATOM 0 HA VAL A 65 7.045 3.676 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 65 6.237 3.497 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.451 1.232 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.565 2.486 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.832 1.536 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.796 1.592 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.277 1.914 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.627 3.111 1.900 1.00 0.00 H new ATOM 1114 N LEU A 66 4.607 4.262 -0.973 1.00 0.00 N ATOM 1115 CA LEU A 66 3.282 4.779 -1.294 1.00 0.00 C ATOM 1116 C LEU A 66 2.467 3.738 -2.055 1.00 0.00 C ATOM 1117 O LEU A 66 2.642 3.561 -3.261 1.00 0.00 O ATOM 1118 CB LEU A 66 3.387 6.066 -2.121 1.00 0.00 C ATOM 1119 CG LEU A 66 4.722 6.280 -2.842 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.492 6.800 -4.252 1.00 0.00 C ATOM 1121 CD2 LEU A 66 5.605 7.238 -2.056 1.00 0.00 C ATOM 0 H LEU A 66 4.906 3.482 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 66 2.774 5.006 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.589 6.066 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.210 6.916 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 66 5.233 5.319 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.452 6.945 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.900 6.078 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.959 7.750 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.549 7.378 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.100 8.199 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.800 6.824 -1.066 1.00 0.00 H new ATOM 1133 N LEU A 67 1.575 3.051 -1.346 1.00 0.00 N ATOM 1134 CA LEU A 67 0.740 2.028 -1.962 1.00 0.00 C ATOM 1135 C LEU A 67 -0.697 2.525 -2.130 1.00 0.00 C ATOM 1136 O LEU A 67 -1.168 3.363 -1.361 1.00 0.00 O ATOM 1137 CB LEU A 67 0.780 0.736 -1.130 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.420 0.491 -0.210 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.496 -0.307 -0.934 1.00 0.00 C ATOM 1140 CD2 LEU A 67 0.022 -0.232 1.056 1.00 0.00 C ATOM 0 H LEU A 67 1.413 3.185 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 67 1.135 1.811 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.868 -0.109 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.683 0.748 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.842 1.456 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.340 -0.471 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.831 0.246 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.088 -1.269 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.841 -0.399 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.468 -1.191 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.756 0.376 1.584 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.382 2.001 -3.139 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.760 2.386 -3.415 1.00 0.00 C ATOM 1154 C VAL A 68 -3.739 1.345 -2.882 1.00 0.00 C ATOM 1155 O VAL A 68 -3.495 0.143 -2.981 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.993 2.569 -4.930 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.428 2.992 -5.214 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -2.006 3.578 -5.501 1.00 0.00 C ATOM 0 H VAL A 68 -1.004 1.305 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.935 3.335 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.826 1.610 -5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.565 3.114 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.112 2.228 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.635 3.937 -4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.183 3.696 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.139 4.539 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.988 3.223 -5.339 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.847 1.815 -2.314 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.863 0.921 -1.767 1.00 0.00 C ATOM 1170 C TYR A 69 -7.260 1.503 -1.957 1.00 0.00 C ATOM 1171 O TYR A 69 -7.423 2.711 -2.133 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.596 0.658 -0.281 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.929 1.828 0.619 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.238 2.081 1.007 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.932 2.678 1.083 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.547 3.147 1.830 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.233 3.746 1.907 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.540 3.976 2.277 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.844 5.038 3.098 1.00 0.00 O ATOM 0 H TYR A 69 -5.063 2.807 -2.221 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.811 -0.024 -2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.178 -0.208 0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.545 0.400 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.029 1.433 0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.906 2.501 0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.571 3.330 2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.447 4.397 2.259 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.023 5.522 3.324 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.266 0.635 -1.919 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.652 1.061 -2.084 1.00 0.00 C ATOM 1191 C LEU A 70 -10.444 0.841 -0.800 1.00 0.00 C ATOM 1192 O LEU A 70 -10.067 0.024 0.042 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.307 0.299 -3.238 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.301 1.114 -4.068 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.594 2.263 -4.772 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.006 0.222 -5.079 1.00 0.00 C ATOM 0 H LEU A 70 -8.148 -0.368 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.654 2.127 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.524 -0.073 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.823 -0.572 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.050 1.533 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.317 2.831 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.134 2.916 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.824 1.866 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.710 0.817 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.269 -0.224 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.545 -0.567 -4.555 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.542 1.576 -0.653 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.385 1.460 0.532 1.00 0.00 C ATOM 1210 C VAL A 71 -13.754 0.889 0.181 1.00 0.00 C ATOM 1211 O VAL A 71 -14.599 1.580 -0.388 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.572 2.822 1.223 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.282 2.651 2.557 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.231 3.514 1.410 1.00 0.00 C ATOM 0 H VAL A 71 -11.868 2.257 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.876 0.780 1.216 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.193 3.450 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.405 3.625 3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.261 2.201 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.689 2.005 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.383 4.476 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.583 2.891 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.764 3.672 0.438 1.00 0.00 H new ATOM 1224 N LYS A 72 -13.966 -0.376 0.529 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.234 -1.044 0.256 1.00 0.00 C ATOM 1226 C LYS A 72 -16.308 -0.584 1.239 1.00 0.00 C ATOM 1227 O LYS A 72 -16.003 0.030 2.260 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.059 -2.562 0.335 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.551 -3.297 -0.901 1.00 0.00 C ATOM 1230 CD LYS A 72 -14.742 -2.919 -2.131 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.399 -3.424 -3.405 1.00 0.00 C ATOM 1232 NZ LYS A 72 -14.513 -3.257 -4.590 1.00 0.00 N ATOM 0 H LYS A 72 -13.276 -0.960 1.001 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.554 -0.778 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.004 -2.790 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.595 -2.936 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.485 -4.373 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.602 -3.064 -1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.636 -1.835 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.737 -3.334 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.655 -4.477 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.332 -2.885 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.997 -3.613 -5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.289 -2.249 -4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.633 -3.792 -4.444 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.566 -0.887 0.922 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.691 -0.505 1.775 1.00 0.00 C ATOM 1248 C ASP A 73 -18.394 -0.785 3.245 1.00 0.00 C ATOM 1249 O ASP A 73 -18.861 -0.071 4.132 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.955 -1.255 1.348 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.676 -0.569 0.205 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -19.996 -0.125 -0.744 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.920 -0.478 0.258 1.00 0.00 O ATOM 0 H ASP A 73 -17.832 -1.397 0.080 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.849 0.567 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.689 -2.269 1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.629 -1.340 2.200 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.609 -1.827 3.495 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.243 -2.201 4.856 1.00 0.00 C ATOM 1260 C ASP A 74 -15.998 -3.082 4.859 1.00 0.00 C ATOM 1261 O ASP A 74 -15.815 -3.913 5.749 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.403 -2.934 5.536 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.398 -1.978 6.166 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -18.985 -1.175 7.029 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -20.591 -2.035 5.797 1.00 0.00 O ATOM 0 H ASP A 74 -17.214 -2.428 2.772 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.024 -1.289 5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -18.915 -3.557 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.009 -3.602 6.302 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.146 -2.894 3.856 1.00 0.00 N ATOM 1271 CA GLU A 75 -13.915 -3.671 3.740 1.00 0.00 C ATOM 1272 C GLU A 75 -12.816 -2.843 3.080 1.00 0.00 C ATOM 1273 O GLU A 75 -13.089 -1.819 2.456 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.166 -4.942 2.924 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.143 -5.908 3.577 1.00 0.00 C ATOM 1276 CD GLU A 75 -15.632 -6.977 2.618 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -16.159 -6.616 1.546 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -15.489 -8.174 2.944 1.00 0.00 O ATOM 0 H GLU A 75 -15.285 -2.211 3.112 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.590 -3.948 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.547 -4.663 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.217 -5.453 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.662 -6.384 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.997 -5.351 3.961 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.575 -3.295 3.218 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.438 -2.598 2.628 1.00 0.00 C ATOM 1287 C LEU A 76 -9.669 -3.521 1.689 1.00 0.00 C ATOM 1288 O LEU A 76 -9.342 -4.652 2.045 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.506 -2.068 3.722 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.375 -1.166 3.227 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -8.858 0.269 3.087 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.183 -1.241 4.170 1.00 0.00 C ATOM 0 H LEU A 76 -11.330 -4.141 3.733 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.819 -1.754 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.101 -1.514 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.069 -2.917 4.249 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.059 -1.517 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.039 0.896 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.680 0.308 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.202 0.633 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.387 -0.593 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.485 -0.916 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.821 -2.268 4.218 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.389 -3.035 0.483 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.665 -3.825 -0.505 1.00 0.00 C ATOM 1306 C ILE A 77 -7.398 -3.111 -0.967 1.00 0.00 C ATOM 1307 O ILE A 77 -7.424 -1.921 -1.283 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.550 -4.133 -1.731 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -9.862 -2.850 -2.506 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -10.836 -4.823 -1.298 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -8.976 -2.646 -3.715 1.00 0.00 C ATOM 0 H ILE A 77 -9.652 -2.101 0.168 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.388 -4.761 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.003 -4.806 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.903 -2.873 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.754 -1.996 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.449 -5.033 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.595 -5.757 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.386 -4.173 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.252 -1.718 -4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.935 -2.591 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.102 -3.482 -4.403 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.292 -3.847 -1.008 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.017 -3.286 -1.439 1.00 0.00 C ATOM 1325 C LEU A 78 -4.923 -3.272 -2.961 1.00 0.00 C ATOM 1326 O LEU A 78 -5.117 -4.299 -3.613 1.00 0.00 O ATOM 1327 CB LEU A 78 -3.856 -4.089 -0.851 1.00 0.00 C ATOM 1328 CG LEU A 78 -3.809 -4.135 0.677 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.620 -4.957 1.150 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -3.748 -2.727 1.250 1.00 0.00 C ATOM 0 H LEU A 78 -6.253 -4.833 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.956 -2.260 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.912 -5.110 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.920 -3.666 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.720 -4.613 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.603 -4.978 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.706 -5.974 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.698 -4.508 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.715 -2.778 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.854 -2.223 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.632 -2.169 0.940 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.629 -2.104 -3.524 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.516 -1.963 -4.971 1.00 0.00 C ATOM 1344 C LEU A 79 -3.115 -2.332 -5.450 1.00 0.00 C ATOM 1345 O LEU A 79 -2.937 -3.319 -6.164 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.862 -0.533 -5.396 1.00 0.00 C ATOM 1347 CG LEU A 79 -6.034 -0.417 -6.375 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -7.303 -0.008 -5.643 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -5.710 0.577 -7.482 1.00 0.00 C ATOM 0 H LEU A 79 -4.465 -1.244 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.225 -2.650 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.093 0.050 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.981 -0.082 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.200 -1.394 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.125 0.069 -6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.545 -0.757 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.149 0.957 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.554 0.646 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.516 1.557 -7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.827 0.241 -8.026 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.123 -1.537 -5.060 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.746 -1.795 -5.460 1.00 0.00 C ATOM 1363 C ARG A 80 0.244 -1.049 -4.569 1.00 0.00 C ATOM 1364 O ARG A 80 -0.131 -0.146 -3.824 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.535 -1.396 -6.923 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.598 0.104 -7.165 1.00 0.00 C ATOM 1367 CD ARG A 80 -1.849 0.493 -7.936 1.00 0.00 C ATOM 1368 NE ARG A 80 -1.874 1.918 -8.260 1.00 0.00 N ATOM 1369 CZ ARG A 80 -1.183 2.464 -9.258 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -0.412 1.709 -10.030 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -1.265 3.768 -9.485 1.00 0.00 N ATOM 0 H ARG A 80 -2.247 -0.714 -4.471 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.563 -2.864 -5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.434 -1.768 -7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.291 -1.886 -7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.581 0.629 -6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.285 0.421 -7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.903 -0.089 -8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.731 0.240 -7.347 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.455 2.530 -7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.347 0.705 -9.860 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.116 2.132 -10.794 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.857 4.352 -8.895 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.736 4.187 -10.250 1.00 0.00 H new ATOM 1385 N LEU A 81 1.512 -1.440 -4.655 1.00 0.00 N ATOM 1386 CA LEU A 81 2.565 -0.818 -3.861 1.00 0.00 C ATOM 1387 C LEU A 81 3.685 -0.303 -4.761 1.00 0.00 C ATOM 1388 O LEU A 81 4.117 -0.991 -5.685 1.00 0.00 O ATOM 1389 CB LEU A 81 3.119 -1.823 -2.843 1.00 0.00 C ATOM 1390 CG LEU A 81 4.358 -1.367 -2.061 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.613 -1.545 -2.899 1.00 0.00 C ATOM 1392 CD2 LEU A 81 4.213 0.079 -1.609 1.00 0.00 C ATOM 0 H LEU A 81 1.835 -2.187 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 81 2.140 0.030 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.330 -2.061 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.364 -2.746 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 81 4.447 -1.991 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.481 -1.216 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.729 -2.596 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.531 -0.950 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.104 0.379 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.093 0.722 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.338 0.173 -0.965 1.00 0.00 H new ATOM 1404 N GLY A 82 4.152 0.911 -4.485 1.00 0.00 N ATOM 1405 CA GLY A 82 5.218 1.492 -5.280 1.00 0.00 C ATOM 1406 C GLY A 82 5.900 2.654 -4.584 1.00 0.00 C ATOM 1407 O GLY A 82 5.640 2.923 -3.411 1.00 0.00 O ATOM 0 H GLY A 82 3.812 1.502 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.958 0.724 -5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.811 1.832 -6.232 1.00 0.00 H new ATOM 1411 N SER A 83 6.777 3.342 -5.308 1.00 0.00 N ATOM 1412 CA SER A 83 7.501 4.481 -4.753 1.00 0.00 C ATOM 1413 C SER A 83 7.443 5.676 -5.700 1.00 0.00 C ATOM 1414 O SER A 83 6.670 5.685 -6.658 1.00 0.00 O ATOM 1415 CB SER A 83 8.957 4.101 -4.480 1.00 0.00 C ATOM 1416 OG SER A 83 9.428 4.703 -3.286 1.00 0.00 O ATOM 0 H SER A 83 7.004 3.131 -6.280 1.00 0.00 H new ATOM 0 HA SER A 83 7.024 4.762 -3.814 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.045 3.017 -4.403 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.580 4.413 -5.318 1.00 0.00 H new ATOM 0 HG SER A 83 10.360 4.442 -3.134 1.00 0.00 H new ATOM 1422 N HIS A 84 8.265 6.684 -5.425 1.00 0.00 N ATOM 1423 CA HIS A 84 8.307 7.884 -6.251 1.00 0.00 C ATOM 1424 C HIS A 84 9.000 7.608 -7.583 1.00 0.00 C ATOM 1425 O HIS A 84 8.722 8.266 -8.584 1.00 0.00 O ATOM 1426 CB HIS A 84 9.028 9.012 -5.511 1.00 0.00 C ATOM 1427 CG HIS A 84 8.653 10.380 -5.994 1.00 0.00 C ATOM 1428 ND1 HIS A 84 9.518 11.453 -5.965 1.00 0.00 N ATOM 1429 CD2 HIS A 84 7.495 10.848 -6.519 1.00 0.00 C ATOM 1430 CE1 HIS A 84 8.910 12.521 -6.451 1.00 0.00 C ATOM 1431 NE2 HIS A 84 7.682 12.180 -6.794 1.00 0.00 N ATOM 0 H HIS A 84 8.911 6.693 -4.636 1.00 0.00 H new ATOM 0 HA HIS A 84 7.281 8.189 -6.455 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.806 8.938 -4.447 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.104 8.879 -5.622 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.593 10.279 -6.689 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.344 13.505 -6.551 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.985 12.805 -7.198 1.00 0.00 H new ATOM 1440 N SER A 85 9.903 6.633 -7.585 1.00 0.00 N ATOM 1441 CA SER A 85 10.634 6.273 -8.796 1.00 0.00 C ATOM 1442 C SER A 85 9.856 5.260 -9.630 1.00 0.00 C ATOM 1443 O SER A 85 10.071 5.141 -10.836 1.00 0.00 O ATOM 1444 CB SER A 85 12.008 5.705 -8.434 1.00 0.00 C ATOM 1445 OG SER A 85 12.944 5.927 -9.475 1.00 0.00 O ATOM 0 H SER A 85 10.146 6.079 -6.764 1.00 0.00 H new ATOM 0 HA SER A 85 10.763 7.177 -9.391 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.366 6.169 -7.515 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.923 4.636 -8.240 1.00 0.00 H new ATOM 0 HG SER A 85 13.814 5.556 -9.218 1.00 0.00 H new ATOM 1451 N GLU A 86 8.950 4.530 -8.982 1.00 0.00 N ATOM 1452 CA GLU A 86 8.144 3.529 -9.670 1.00 0.00 C ATOM 1453 C GLU A 86 6.884 4.152 -10.260 1.00 0.00 C ATOM 1454 O GLU A 86 6.743 4.258 -11.479 1.00 0.00 O ATOM 1455 CB GLU A 86 7.770 2.398 -8.708 1.00 0.00 C ATOM 1456 CG GLU A 86 7.982 1.010 -9.291 1.00 0.00 C ATOM 1457 CD GLU A 86 6.933 0.645 -10.324 1.00 0.00 C ATOM 1458 OE1 GLU A 86 5.738 0.595 -9.966 1.00 0.00 O ATOM 1459 OE2 GLU A 86 7.308 0.410 -11.493 1.00 0.00 O ATOM 0 H GLU A 86 8.758 4.614 -7.984 1.00 0.00 H new ATOM 0 HA GLU A 86 8.738 3.120 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.362 2.495 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.724 2.507 -8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.970 0.959 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.965 0.275 -8.486 1.00 0.00 H new ATOM 1466 N LEU A 87 5.968 4.561 -9.388 1.00 0.00 N ATOM 1467 CA LEU A 87 4.718 5.173 -9.823 1.00 0.00 C ATOM 1468 C LEU A 87 4.981 6.439 -10.632 1.00 0.00 C ATOM 1469 O LEU A 87 4.320 6.690 -11.641 1.00 0.00 O ATOM 1470 CB LEU A 87 3.840 5.501 -8.612 1.00 0.00 C ATOM 1471 CG LEU A 87 3.680 4.366 -7.600 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.710 4.765 -6.499 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.209 3.097 -8.294 1.00 0.00 C ATOM 0 H LEU A 87 6.068 4.480 -8.376 1.00 0.00 H new ATOM 0 HA LEU A 87 4.197 4.460 -10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.262 6.366 -8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.852 5.792 -8.968 1.00 0.00 H new ATOM 0 HG LEU A 87 4.651 4.170 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.609 3.945 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.088 5.648 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.737 4.989 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.100 2.299 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.248 3.281 -8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.940 2.801 -9.046 1.00 0.00 H new ATOM 1485 N PHE A 88 5.951 7.231 -10.188 1.00 0.00 N ATOM 1486 CA PHE A 88 6.299 8.470 -10.874 1.00 0.00 C ATOM 1487 C PHE A 88 7.625 8.327 -11.617 1.00 0.00 C ATOM 1488 O PHE A 88 8.671 8.679 -11.032 1.00 0.00 O ATOM 1489 CB PHE A 88 6.382 9.625 -9.875 1.00 0.00 C ATOM 1490 CG PHE A 88 5.059 10.287 -9.611 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.434 11.033 -10.597 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.440 10.157 -8.378 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.216 11.643 -10.356 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.224 10.765 -8.131 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.611 11.508 -9.122 1.00 0.00 C ATOM 1496 OXT PHE A 88 7.605 7.865 -12.777 1.00 0.00 O ATOM 0 H PHE A 88 6.510 7.037 -9.357 1.00 0.00 H new ATOM 0 HA PHE A 88 5.517 8.685 -11.602 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.787 9.252 -8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.083 10.370 -10.251 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.903 11.139 -11.564 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.913 9.574 -7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.739 12.224 -11.132 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.753 10.660 -7.165 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.660 11.983 -8.932 1.00 0.00 H new