USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 672 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 71 MET CE :methyl -115:sc= -0.95 (180deg=-4.29!) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.139 K(o=-1.1,f=-2.2) USER MOD Single : A 20 SER OG : rot -15:sc= 0.529 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -21:sc= -0.715 USER MOD Single : A 28 LYS NZ :NH3+ -143:sc= 1.68 (180deg=-0.968) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.612 K(o=-0.61,f=-3.8!) USER MOD Single : A 39 SER OG : rot 83:sc= 0.33 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0761) USER MOD Single : A 49 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.5) USER MOD Single : A 51 GLN : amide:sc= -0.785 K(o=-0.79,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.26 X(o=-3.3,f=-3.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -144:sc= -6.06! (180deg=-7.96!) USER MOD Single : A 65 LYS NZ :NH3+ 137:sc= 1.18 (180deg=0.121) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc=-0.00924 (180deg=-0.00924) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 87:sc= -1.12 USER MOD Single : A 70 MET CE :methyl 150:sc= -0.139 (180deg=-0.787) USER MOD Single : A 72 THR OG1 : rot 180:sc=8.63e-05 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 78 LYS NZ :NH3+ 148:sc=-0.00356 (180deg=-0.377) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -167:sc=-0.00135 (180deg=-0.0849) USER MOD Single : A 86 SER OG : rot 86:sc= 1.18 USER MOD Single : A 87 SER OG : rot 88:sc= 0.481 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.745) USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= -1.66 (180deg=-3.09!) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 20 -3.875 -18.296 3.628 1.00 0.00 N ATOM 47 CA SER A 20 -2.905 -17.297 3.198 1.00 0.00 C ATOM 48 C SER A 20 -3.601 -16.107 2.544 1.00 0.00 C ATOM 49 O SER A 20 -3.109 -14.980 2.597 1.00 0.00 O ATOM 50 CB SER A 20 -1.905 -17.917 2.220 1.00 0.00 C ATOM 51 OG SER A 20 -2.509 -18.947 1.456 1.00 0.00 O ATOM 0 HA SER A 20 -2.371 -16.942 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.517 -17.146 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.055 -18.320 2.771 1.00 0.00 H new ATOM 0 HG SER A 20 -3.356 -19.209 1.873 1.00 0.00 H new ATOM 57 N LEU A 21 -4.750 -16.366 1.928 1.00 0.00 N ATOM 58 CA LEU A 21 -5.516 -15.319 1.265 1.00 0.00 C ATOM 59 C LEU A 21 -5.924 -14.233 2.257 1.00 0.00 C ATOM 60 O LEU A 21 -6.016 -13.058 1.901 1.00 0.00 O ATOM 61 CB LEU A 21 -6.761 -15.910 0.602 1.00 0.00 C ATOM 62 CG LEU A 21 -6.494 -16.732 -0.660 1.00 0.00 C ATOM 63 CD1 LEU A 21 -7.655 -17.674 -0.941 1.00 0.00 C ATOM 64 CD2 LEU A 21 -6.249 -15.816 -1.851 1.00 0.00 C ATOM 0 H LEU A 21 -5.171 -17.294 1.875 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.883 -14.870 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.275 -16.542 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.441 -15.096 0.350 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.598 -17.331 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.446 -18.250 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.785 -18.353 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.567 -17.095 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.061 -16.418 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.126 -15.190 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.384 -15.183 -1.651 1.00 0.00 H new ATOM 76 N VAL A 22 -6.167 -14.634 3.500 1.00 0.00 N ATOM 77 CA VAL A 22 -6.566 -13.694 4.539 1.00 0.00 C ATOM 78 C VAL A 22 -5.501 -12.622 4.748 1.00 0.00 C ATOM 79 O VAL A 22 -5.796 -11.428 4.712 1.00 0.00 O ATOM 80 CB VAL A 22 -6.827 -14.410 5.878 1.00 0.00 C ATOM 81 CG1 VAL A 22 -7.356 -13.430 6.916 1.00 0.00 C ATOM 82 CG2 VAL A 22 -7.796 -15.566 5.684 1.00 0.00 C ATOM 0 H VAL A 22 -6.095 -15.603 3.812 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.490 -13.225 4.202 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.882 -14.814 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.534 -13.955 7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.623 -12.639 7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.290 -12.994 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.969 -16.060 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.741 -15.187 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.373 -16.280 4.977 1.00 0.00 H new ATOM 92 N LYS A 23 -4.260 -13.054 4.961 1.00 0.00 N ATOM 93 CA LYS A 23 -3.152 -12.128 5.171 1.00 0.00 C ATOM 94 C LYS A 23 -3.072 -11.118 4.032 1.00 0.00 C ATOM 95 O LYS A 23 -2.935 -9.915 4.259 1.00 0.00 O ATOM 96 CB LYS A 23 -1.833 -12.892 5.288 1.00 0.00 C ATOM 97 CG LYS A 23 -0.872 -12.297 6.304 1.00 0.00 C ATOM 98 CD LYS A 23 -1.392 -12.460 7.724 1.00 0.00 C ATOM 99 CE LYS A 23 -0.270 -12.789 8.694 1.00 0.00 C ATOM 100 NZ LYS A 23 -0.523 -12.228 10.050 1.00 0.00 N ATOM 0 H LYS A 23 -3.998 -14.039 4.993 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.330 -11.589 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.045 -13.925 5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.348 -12.915 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.100 -12.781 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.723 -11.239 6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.888 -11.542 8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.140 -13.252 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.157 -13.871 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.670 -12.395 8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.266 -12.475 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.605 -11.193 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.407 -12.623 10.430 1.00 0.00 H new ATOM 114 N VAL A 24 -3.167 -11.617 2.806 1.00 0.00 N ATOM 115 CA VAL A 24 -3.118 -10.761 1.629 1.00 0.00 C ATOM 116 C VAL A 24 -4.246 -9.738 1.668 1.00 0.00 C ATOM 117 O VAL A 24 -4.040 -8.558 1.381 1.00 0.00 O ATOM 118 CB VAL A 24 -3.219 -11.582 0.329 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.865 -10.724 -0.874 1.00 0.00 C ATOM 120 CG2 VAL A 24 -2.324 -12.809 0.398 1.00 0.00 C ATOM 0 H VAL A 24 -3.278 -12.610 2.602 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.157 -10.247 1.640 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.249 -11.919 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.942 -11.321 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.553 -9.881 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.845 -10.353 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.410 -13.375 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.289 -12.497 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.630 -13.436 1.235 1.00 0.00 H new ATOM 130 N GLY A 25 -5.436 -10.197 2.042 1.00 0.00 N ATOM 131 CA GLY A 25 -6.576 -9.306 2.131 1.00 0.00 C ATOM 132 C GLY A 25 -6.398 -8.274 3.225 1.00 0.00 C ATOM 133 O GLY A 25 -6.805 -7.122 3.076 1.00 0.00 O ATOM 0 H GLY A 25 -5.630 -11.169 2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.719 -8.802 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.478 -9.887 2.323 1.00 0.00 H new ATOM 137 N THR A 26 -5.774 -8.690 4.324 1.00 0.00 N ATOM 138 CA THR A 26 -5.528 -7.794 5.446 1.00 0.00 C ATOM 139 C THR A 26 -4.733 -6.579 4.985 1.00 0.00 C ATOM 140 O THR A 26 -5.100 -5.436 5.267 1.00 0.00 O ATOM 141 CB THR A 26 -4.773 -8.526 6.558 1.00 0.00 C ATOM 142 OG1 THR A 26 -4.966 -9.926 6.459 1.00 0.00 O ATOM 143 CG2 THR A 26 -5.194 -8.103 7.948 1.00 0.00 C ATOM 0 H THR A 26 -5.431 -9.641 4.460 1.00 0.00 H new ATOM 0 HA THR A 26 -6.488 -7.459 5.839 1.00 0.00 H new ATOM 0 HB THR A 26 -3.725 -8.260 6.417 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.780 -10.108 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.620 -8.661 8.688 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.010 -7.036 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.256 -8.307 8.084 1.00 0.00 H new ATOM 151 N LEU A 27 -3.648 -6.831 4.257 1.00 0.00 N ATOM 152 CA LEU A 27 -2.815 -5.754 3.742 1.00 0.00 C ATOM 153 C LEU A 27 -3.622 -4.884 2.788 1.00 0.00 C ATOM 154 O LEU A 27 -3.495 -3.660 2.792 1.00 0.00 O ATOM 155 CB LEU A 27 -1.580 -6.318 3.034 1.00 0.00 C ATOM 156 CG LEU A 27 -0.300 -6.320 3.872 1.00 0.00 C ATOM 157 CD1 LEU A 27 0.844 -6.955 3.096 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.064 -4.904 4.298 1.00 0.00 C ATOM 0 H LEU A 27 -3.328 -7.768 4.013 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.478 -5.143 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.794 -7.340 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.403 -5.738 2.128 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.478 -6.912 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.746 -6.948 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.585 -7.983 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.021 -6.390 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.977 -4.926 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.222 -4.287 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.747 -4.483 4.893 1.00 0.00 H new ATOM 170 N LYS A 28 -4.471 -5.522 1.986 1.00 0.00 N ATOM 171 CA LYS A 28 -5.317 -4.794 1.049 1.00 0.00 C ATOM 172 C LYS A 28 -6.100 -3.725 1.800 1.00 0.00 C ATOM 173 O LYS A 28 -6.293 -2.611 1.311 1.00 0.00 O ATOM 174 CB LYS A 28 -6.276 -5.749 0.335 1.00 0.00 C ATOM 175 CG LYS A 28 -5.832 -6.120 -1.071 1.00 0.00 C ATOM 176 CD LYS A 28 -6.425 -5.180 -2.110 1.00 0.00 C ATOM 177 CE LYS A 28 -6.935 -5.939 -3.325 1.00 0.00 C ATOM 178 NZ LYS A 28 -6.563 -5.264 -4.600 1.00 0.00 N ATOM 0 H LYS A 28 -4.590 -6.535 1.967 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.687 -4.320 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.377 -6.659 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.263 -5.290 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.744 -6.089 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.134 -7.144 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.243 -4.614 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.670 -4.458 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.528 -6.950 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.020 -6.031 -3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.340 -5.361 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.385 -4.255 -4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.704 -5.703 -4.988 1.00 0.00 H new ATOM 192 N LYS A 29 -6.525 -4.074 3.010 1.00 0.00 N ATOM 193 CA LYS A 29 -7.260 -3.152 3.859 1.00 0.00 C ATOM 194 C LYS A 29 -6.342 -2.026 4.313 1.00 0.00 C ATOM 195 O LYS A 29 -6.741 -0.861 4.350 1.00 0.00 O ATOM 196 CB LYS A 29 -7.840 -3.884 5.072 1.00 0.00 C ATOM 197 CG LYS A 29 -9.292 -4.294 4.897 1.00 0.00 C ATOM 198 CD LYS A 29 -9.415 -5.761 4.511 1.00 0.00 C ATOM 199 CE LYS A 29 -10.869 -6.172 4.347 1.00 0.00 C ATOM 200 NZ LYS A 29 -11.074 -7.618 4.636 1.00 0.00 N ATOM 0 H LYS A 29 -6.371 -4.994 3.423 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.086 -2.730 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.241 -4.773 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.756 -3.241 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.836 -4.114 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.756 -3.675 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.878 -5.940 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.944 -6.380 5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.492 -5.577 5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.195 -5.956 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.078 -7.858 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.499 -8.188 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.787 -7.820 5.615 1.00 0.00 H new ATOM 214 N ARG A 30 -5.102 -2.380 4.646 1.00 0.00 N ATOM 215 CA ARG A 30 -4.122 -1.393 5.081 1.00 0.00 C ATOM 216 C ARG A 30 -3.850 -0.398 3.960 1.00 0.00 C ATOM 217 O ARG A 30 -3.666 0.797 4.203 1.00 0.00 O ATOM 218 CB ARG A 30 -2.820 -2.080 5.499 1.00 0.00 C ATOM 219 CG ARG A 30 -3.003 -3.120 6.594 1.00 0.00 C ATOM 220 CD ARG A 30 -2.426 -2.646 7.919 1.00 0.00 C ATOM 221 NE ARG A 30 -3.257 -3.044 9.053 1.00 0.00 N ATOM 222 CZ ARG A 30 -2.836 -3.049 10.315 1.00 0.00 C ATOM 223 NH1 ARG A 30 -1.597 -2.676 10.610 1.00 0.00 N ATOM 224 NH2 ARG A 30 -3.657 -3.424 11.286 1.00 0.00 N ATOM 0 H ARG A 30 -4.755 -3.339 4.622 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.525 -0.859 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.375 -2.558 4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.114 -1.324 5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.064 -3.338 6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.518 -4.050 6.298 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.423 -3.054 8.044 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.329 -1.560 7.904 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.217 -3.335 8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.962 -2.383 9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.280 -2.682 11.579 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.611 -3.709 11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.334 -3.428 12.254 1.00 0.00 H new ATOM 238 N LEU A 31 -3.838 -0.897 2.728 1.00 0.00 N ATOM 239 CA LEU A 31 -3.603 -0.056 1.564 1.00 0.00 C ATOM 240 C LEU A 31 -4.707 0.987 1.435 1.00 0.00 C ATOM 241 O LEU A 31 -4.437 2.176 1.263 1.00 0.00 O ATOM 242 CB LEU A 31 -3.533 -0.908 0.294 1.00 0.00 C ATOM 243 CG LEU A 31 -2.119 -1.268 -0.166 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.389 -0.030 -0.664 1.00 0.00 C ATOM 245 CD2 LEU A 31 -1.344 -1.928 0.965 1.00 0.00 C ATOM 0 H LEU A 31 -3.989 -1.882 2.512 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.649 0.455 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.090 -1.830 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.036 -0.374 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.194 -1.977 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.385 -0.305 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.935 0.401 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.323 0.702 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.340 -2.178 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.278 -1.242 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.858 -2.838 1.276 1.00 0.00 H new ATOM 257 N ASP A 32 -5.954 0.533 1.533 1.00 0.00 N ATOM 258 CA ASP A 32 -7.099 1.428 1.439 1.00 0.00 C ATOM 259 C ASP A 32 -7.041 2.481 2.540 1.00 0.00 C ATOM 260 O ASP A 32 -7.426 3.633 2.338 1.00 0.00 O ATOM 261 CB ASP A 32 -8.405 0.637 1.540 1.00 0.00 C ATOM 262 CG ASP A 32 -9.549 1.315 0.813 1.00 0.00 C ATOM 263 OD1 ASP A 32 -10.213 2.180 1.424 1.00 0.00 O ATOM 264 OD2 ASP A 32 -9.783 0.982 -0.368 1.00 0.00 O ATOM 0 H ASP A 32 -6.195 -0.448 1.677 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.066 1.928 0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.255 -0.360 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.670 0.510 2.590 1.00 0.00 H new ATOM 269 N LYS A 33 -6.542 2.077 3.705 1.00 0.00 N ATOM 270 CA LYS A 33 -6.417 2.982 4.839 1.00 0.00 C ATOM 271 C LYS A 33 -5.500 4.150 4.487 1.00 0.00 C ATOM 272 O LYS A 33 -5.820 5.308 4.754 1.00 0.00 O ATOM 273 CB LYS A 33 -5.874 2.228 6.059 1.00 0.00 C ATOM 274 CG LYS A 33 -5.502 3.128 7.226 1.00 0.00 C ATOM 275 CD LYS A 33 -6.653 4.040 7.620 1.00 0.00 C ATOM 276 CE LYS A 33 -6.201 5.130 8.576 1.00 0.00 C ATOM 277 NZ LYS A 33 -6.570 4.822 9.984 1.00 0.00 N ATOM 0 H LYS A 33 -6.218 1.127 3.887 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.404 3.377 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.623 1.509 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.995 1.657 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.213 2.516 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.634 3.731 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.081 4.494 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.442 3.450 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.120 5.252 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.650 6.079 8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.244 5.590 10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.603 4.731 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.121 3.929 10.273 1.00 0.00 H new ATOM 291 N PHE A 34 -4.363 3.834 3.876 1.00 0.00 N ATOM 292 CA PHE A 34 -3.403 4.854 3.476 1.00 0.00 C ATOM 293 C PHE A 34 -4.023 5.794 2.449 1.00 0.00 C ATOM 294 O PHE A 34 -3.828 7.008 2.507 1.00 0.00 O ATOM 295 CB PHE A 34 -2.146 4.202 2.897 1.00 0.00 C ATOM 296 CG PHE A 34 -1.521 3.186 3.809 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.346 3.459 5.157 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.107 1.957 3.320 1.00 0.00 C ATOM 299 CE1 PHE A 34 -0.771 2.527 5.999 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.531 1.021 4.157 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.363 1.305 5.499 1.00 0.00 C ATOM 0 H PHE A 34 -4.085 2.880 3.647 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.126 5.432 4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.398 3.722 1.951 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.414 4.978 2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.663 4.412 5.554 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.236 1.728 2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.640 2.753 7.047 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.212 0.067 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.086 0.574 6.155 1.00 0.00 H new ATOM 311 N ASN A 35 -4.775 5.222 1.514 1.00 0.00 N ATOM 312 CA ASN A 35 -5.433 6.006 0.475 1.00 0.00 C ATOM 313 C ASN A 35 -6.355 7.054 1.087 1.00 0.00 C ATOM 314 O ASN A 35 -6.449 8.178 0.595 1.00 0.00 O ATOM 315 CB ASN A 35 -6.229 5.090 -0.455 1.00 0.00 C ATOM 316 CG ASN A 35 -5.333 4.227 -1.322 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.351 3.657 -0.846 1.00 0.00 O ATOM 318 ND2 ASN A 35 -5.668 4.127 -2.603 1.00 0.00 N ATOM 0 H ASN A 35 -4.944 4.218 1.455 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.663 6.518 -0.102 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.880 4.450 0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.873 5.695 -1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.103 3.560 -3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.491 4.617 -2.955 1.00 0.00 H new ATOM 325 N GLU A 36 -7.030 6.678 2.169 1.00 0.00 N ATOM 326 CA GLU A 36 -7.941 7.588 2.853 1.00 0.00 C ATOM 327 C GLU A 36 -7.176 8.760 3.452 1.00 0.00 C ATOM 328 O GLU A 36 -7.484 9.923 3.183 1.00 0.00 O ATOM 329 CB GLU A 36 -8.709 6.845 3.950 1.00 0.00 C ATOM 330 CG GLU A 36 -10.190 7.185 3.994 1.00 0.00 C ATOM 331 CD GLU A 36 -10.997 6.407 2.973 1.00 0.00 C ATOM 332 OE1 GLU A 36 -10.775 6.611 1.761 1.00 0.00 O ATOM 333 OE2 GLU A 36 -11.850 5.593 3.387 1.00 0.00 O ATOM 0 H GLU A 36 -6.963 5.751 2.590 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.653 7.974 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.596 5.772 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.262 7.079 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.577 6.978 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.319 8.253 3.817 1.00 0.00 H new ATOM 340 N VAL A 37 -6.170 8.444 4.258 1.00 0.00 N ATOM 341 CA VAL A 37 -5.348 9.465 4.893 1.00 0.00 C ATOM 342 C VAL A 37 -4.693 10.361 3.846 1.00 0.00 C ATOM 343 O VAL A 37 -4.575 11.571 4.035 1.00 0.00 O ATOM 344 CB VAL A 37 -4.251 8.840 5.776 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.505 9.917 6.548 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.851 7.812 6.727 1.00 0.00 C ATOM 0 H VAL A 37 -5.904 7.486 4.487 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.009 10.060 5.522 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.538 8.331 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.735 9.455 7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.041 10.611 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.204 10.458 7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.061 7.381 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.588 8.296 7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.334 7.022 6.152 1.00 0.00 H new ATOM 356 N VAL A 38 -4.274 9.754 2.741 1.00 0.00 N ATOM 357 CA VAL A 38 -3.636 10.492 1.659 1.00 0.00 C ATOM 358 C VAL A 38 -4.665 11.291 0.865 1.00 0.00 C ATOM 359 O VAL A 38 -4.385 12.399 0.405 1.00 0.00 O ATOM 360 CB VAL A 38 -2.885 9.547 0.701 1.00 0.00 C ATOM 361 CG1 VAL A 38 -2.148 10.338 -0.372 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.921 8.661 1.475 1.00 0.00 C ATOM 0 H VAL A 38 -4.365 8.752 2.572 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.920 11.175 2.116 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.617 8.908 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.625 9.650 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.864 10.925 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.427 11.006 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.399 8.000 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.196 9.283 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.476 8.064 2.198 1.00 0.00 H new ATOM 372 N SER A 39 -5.856 10.724 0.709 1.00 0.00 N ATOM 373 CA SER A 39 -6.927 11.384 -0.025 1.00 0.00 C ATOM 374 C SER A 39 -7.282 12.716 0.625 1.00 0.00 C ATOM 375 O SER A 39 -7.619 13.684 -0.058 1.00 0.00 O ATOM 376 CB SER A 39 -8.165 10.487 -0.087 1.00 0.00 C ATOM 377 OG SER A 39 -8.124 9.639 -1.221 1.00 0.00 O ATOM 0 H SER A 39 -6.103 9.807 1.082 1.00 0.00 H new ATOM 0 HA SER A 39 -6.577 11.573 -1.040 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.227 9.885 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.063 11.103 -0.122 1.00 0.00 H new ATOM 0 HG SER A 39 -7.573 8.854 -1.022 1.00 0.00 H new ATOM 383 N ALA A 40 -7.196 12.758 1.951 1.00 0.00 N ATOM 384 CA ALA A 40 -7.503 13.972 2.697 1.00 0.00 C ATOM 385 C ALA A 40 -6.387 15.005 2.559 1.00 0.00 C ATOM 386 O ALA A 40 -6.581 16.184 2.856 1.00 0.00 O ATOM 387 CB ALA A 40 -7.741 13.642 4.163 1.00 0.00 C ATOM 0 H ALA A 40 -6.917 11.966 2.530 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.412 14.404 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.969 14.557 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.578 12.950 4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.846 13.183 4.582 1.00 0.00 H new ATOM 393 N LEU A 41 -5.216 14.558 2.109 1.00 0.00 N ATOM 394 CA LEU A 41 -4.073 15.448 1.936 1.00 0.00 C ATOM 395 C LEU A 41 -4.236 16.317 0.693 1.00 0.00 C ATOM 396 O LEU A 41 -3.998 17.523 0.734 1.00 0.00 O ATOM 397 CB LEU A 41 -2.778 14.637 1.835 1.00 0.00 C ATOM 398 CG LEU A 41 -2.403 13.856 3.094 1.00 0.00 C ATOM 399 CD1 LEU A 41 -1.265 12.889 2.802 1.00 0.00 C ATOM 400 CD2 LEU A 41 -2.022 14.810 4.216 1.00 0.00 C ATOM 0 H LEU A 41 -5.035 13.586 1.858 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.022 16.100 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.870 13.936 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.961 15.315 1.590 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.270 13.277 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.011 12.341 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.574 12.186 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.393 13.446 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.758 14.238 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.169 15.414 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.866 15.462 4.441 1.00 0.00 H new ATOM 412 N LYS A 42 -4.635 15.691 -0.412 1.00 0.00 N ATOM 413 CA LYS A 42 -4.826 16.399 -1.677 1.00 0.00 C ATOM 414 C LYS A 42 -3.496 16.886 -2.254 1.00 0.00 C ATOM 415 O LYS A 42 -3.474 17.633 -3.233 1.00 0.00 O ATOM 416 CB LYS A 42 -5.770 17.586 -1.491 1.00 0.00 C ATOM 417 CG LYS A 42 -7.157 17.192 -1.005 1.00 0.00 C ATOM 418 CD LYS A 42 -7.436 17.732 0.388 1.00 0.00 C ATOM 419 CE LYS A 42 -8.706 17.135 0.972 1.00 0.00 C ATOM 420 NZ LYS A 42 -9.464 18.129 1.782 1.00 0.00 N ATOM 0 H LYS A 42 -4.833 14.691 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.268 15.693 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.329 18.282 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.863 18.117 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.907 17.570 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.246 16.106 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.593 17.508 1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.528 18.817 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.339 16.766 0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.451 16.277 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.323 17.684 2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.870 18.462 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.729 18.936 1.182 1.00 0.00 H new ATOM 434 N ASP A 43 -2.393 16.462 -1.648 1.00 0.00 N ATOM 435 CA ASP A 43 -1.065 16.857 -2.106 1.00 0.00 C ATOM 436 C ASP A 43 -0.186 15.632 -2.329 1.00 0.00 C ATOM 437 O ASP A 43 -0.353 14.609 -1.665 1.00 0.00 O ATOM 438 CB ASP A 43 -0.409 17.794 -1.091 1.00 0.00 C ATOM 439 CG ASP A 43 0.453 18.850 -1.753 1.00 0.00 C ATOM 440 OD1 ASP A 43 -0.111 19.773 -2.377 1.00 0.00 O ATOM 441 OD2 ASP A 43 1.696 18.756 -1.647 1.00 0.00 O ATOM 0 H ASP A 43 -2.392 15.844 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.174 17.384 -3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.183 18.280 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.202 17.210 -0.403 1.00 0.00 H new ATOM 446 N GLY A 44 0.749 15.740 -3.267 1.00 0.00 N ATOM 447 CA GLY A 44 1.637 14.630 -3.558 1.00 0.00 C ATOM 448 C GLY A 44 0.880 13.375 -3.945 1.00 0.00 C ATOM 449 O GLY A 44 1.304 12.263 -3.632 1.00 0.00 O ATOM 0 H GLY A 44 0.908 16.575 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.311 14.909 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.256 14.424 -2.685 1.00 0.00 H new ATOM 453 N LYS A 45 -0.246 13.558 -4.624 1.00 0.00 N ATOM 454 CA LYS A 45 -1.072 12.438 -5.055 1.00 0.00 C ATOM 455 C LYS A 45 -0.323 11.539 -6.039 1.00 0.00 C ATOM 456 O LYS A 45 -0.376 10.316 -5.929 1.00 0.00 O ATOM 457 CB LYS A 45 -2.366 12.948 -5.693 1.00 0.00 C ATOM 458 CG LYS A 45 -3.478 13.204 -4.688 1.00 0.00 C ATOM 459 CD LYS A 45 -4.404 12.003 -4.564 1.00 0.00 C ATOM 460 CE LYS A 45 -5.238 12.073 -3.294 1.00 0.00 C ATOM 461 NZ LYS A 45 -6.520 12.797 -3.511 1.00 0.00 N ATOM 0 H LYS A 45 -0.608 14.474 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.316 11.845 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.156 13.871 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.711 12.220 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.045 13.433 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.053 14.078 -4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.063 11.959 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.815 11.086 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.447 11.063 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.667 12.573 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.955 13.017 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.336 13.681 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.166 12.200 -4.066 1.00 0.00 H new ATOM 475 N PRO A 46 0.382 12.126 -7.023 1.00 0.00 N ATOM 476 CA PRO A 46 1.130 11.356 -8.025 1.00 0.00 C ATOM 477 C PRO A 46 2.188 10.445 -7.405 1.00 0.00 C ATOM 478 O PRO A 46 2.275 9.263 -7.739 1.00 0.00 O ATOM 479 CB PRO A 46 1.797 12.433 -8.889 1.00 0.00 C ATOM 480 CG PRO A 46 0.989 13.663 -8.665 1.00 0.00 C ATOM 481 CD PRO A 46 0.497 13.579 -7.250 1.00 0.00 C ATOM 0 HA PRO A 46 0.474 10.687 -8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.836 12.585 -8.597 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.800 12.149 -9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.591 14.559 -8.817 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.156 13.716 -9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.195 14.042 -6.552 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.461 14.084 -7.125 1.00 0.00 H new ATOM 489 N GLU A 47 3.003 11.002 -6.512 1.00 0.00 N ATOM 490 CA GLU A 47 4.064 10.237 -5.862 1.00 0.00 C ATOM 491 C GLU A 47 3.500 9.123 -4.984 1.00 0.00 C ATOM 492 O GLU A 47 3.921 7.971 -5.082 1.00 0.00 O ATOM 493 CB GLU A 47 4.954 11.162 -5.027 1.00 0.00 C ATOM 494 CG GLU A 47 4.198 11.942 -3.964 1.00 0.00 C ATOM 495 CD GLU A 47 5.067 12.974 -3.270 1.00 0.00 C ATOM 496 OE1 GLU A 47 6.163 12.605 -2.798 1.00 0.00 O ATOM 497 OE2 GLU A 47 4.651 14.149 -3.201 1.00 0.00 O ATOM 0 H GLU A 47 2.949 11.979 -6.222 1.00 0.00 H new ATOM 0 HA GLU A 47 4.662 9.774 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.730 10.567 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.457 11.865 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.344 12.441 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.802 11.248 -3.223 1.00 0.00 H new ATOM 504 N VAL A 48 2.550 9.473 -4.125 1.00 0.00 N ATOM 505 CA VAL A 48 1.935 8.499 -3.230 1.00 0.00 C ATOM 506 C VAL A 48 1.117 7.476 -4.008 1.00 0.00 C ATOM 507 O VAL A 48 1.234 6.278 -3.779 1.00 0.00 O ATOM 508 CB VAL A 48 1.042 9.190 -2.176 1.00 0.00 C ATOM 509 CG1 VAL A 48 -0.131 9.897 -2.837 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.556 8.187 -1.141 1.00 0.00 C ATOM 0 H VAL A 48 2.189 10.422 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 48 2.744 7.982 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 48 1.643 9.942 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.744 10.376 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.242 10.652 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.733 9.171 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.071 8.695 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.023 7.406 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.413 7.740 -0.637 1.00 0.00 H new ATOM 520 N ASN A 49 0.299 7.945 -4.936 1.00 0.00 N ATOM 521 CA ASN A 49 -0.519 7.046 -5.740 1.00 0.00 C ATOM 522 C ASN A 49 0.358 6.080 -6.533 1.00 0.00 C ATOM 523 O ASN A 49 -0.052 4.961 -6.837 1.00 0.00 O ATOM 524 CB ASN A 49 -1.408 7.846 -6.696 1.00 0.00 C ATOM 525 CG ASN A 49 -2.509 8.596 -5.973 1.00 0.00 C ATOM 526 OD1 ASN A 49 -2.797 8.330 -4.805 1.00 0.00 O ATOM 527 ND2 ASN A 49 -3.133 9.542 -6.666 1.00 0.00 N ATOM 0 H ASN A 49 0.183 8.935 -5.152 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.151 6.469 -5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.794 8.555 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.852 7.169 -7.426 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.883 10.081 -6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.862 9.729 -7.631 1.00 0.00 H new ATOM 534 N ARG A 50 1.567 6.524 -6.866 1.00 0.00 N ATOM 535 CA ARG A 50 2.504 5.702 -7.627 1.00 0.00 C ATOM 536 C ARG A 50 3.107 4.598 -6.762 1.00 0.00 C ATOM 537 O ARG A 50 3.155 3.435 -7.163 1.00 0.00 O ATOM 538 CB ARG A 50 3.618 6.574 -8.210 1.00 0.00 C ATOM 539 CG ARG A 50 4.679 5.785 -8.960 1.00 0.00 C ATOM 540 CD ARG A 50 5.601 6.700 -9.748 1.00 0.00 C ATOM 541 NE ARG A 50 6.127 6.048 -10.945 1.00 0.00 N ATOM 542 CZ ARG A 50 7.008 5.049 -10.919 1.00 0.00 C ATOM 543 NH1 ARG A 50 7.459 4.581 -9.762 1.00 0.00 N ATOM 544 NH2 ARG A 50 7.437 4.516 -12.055 1.00 0.00 N ATOM 0 H ARG A 50 1.921 7.449 -6.621 1.00 0.00 H new ATOM 0 HA ARG A 50 1.951 5.231 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.178 7.308 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.094 7.129 -7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.265 5.198 -8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.198 5.080 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.059 7.601 -10.035 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.429 7.014 -9.113 1.00 0.00 H new ATOM 0 HE ARG A 50 5.801 6.377 -11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.131 4.986 -8.885 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.133 3.816 -9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.092 4.871 -12.947 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.112 3.751 -12.037 1.00 0.00 H new ATOM 558 N GLN A 51 3.557 4.970 -5.570 1.00 0.00 N ATOM 559 CA GLN A 51 4.152 4.013 -4.645 1.00 0.00 C ATOM 560 C GLN A 51 3.062 3.123 -4.075 1.00 0.00 C ATOM 561 O GLN A 51 3.188 1.900 -4.026 1.00 0.00 O ATOM 562 CB GLN A 51 4.884 4.745 -3.519 1.00 0.00 C ATOM 563 CG GLN A 51 3.977 5.612 -2.663 1.00 0.00 C ATOM 564 CD GLN A 51 4.749 6.487 -1.695 1.00 0.00 C ATOM 565 OE1 GLN A 51 5.934 6.757 -1.894 1.00 0.00 O ATOM 566 NE2 GLN A 51 4.081 6.935 -0.639 1.00 0.00 N ATOM 0 H GLN A 51 3.521 5.928 -5.221 1.00 0.00 H new ATOM 0 HA GLN A 51 4.877 3.399 -5.179 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.378 4.011 -2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.666 5.369 -3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.367 6.243 -3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.293 4.974 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.100 6.687 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.549 7.528 0.047 1.00 0.00 H new ATOM 575 N ILE A 52 1.982 3.767 -3.666 1.00 0.00 N ATOM 576 CA ILE A 52 0.832 3.086 -3.113 1.00 0.00 C ATOM 577 C ILE A 52 0.287 2.063 -4.109 1.00 0.00 C ATOM 578 O ILE A 52 -0.113 0.961 -3.731 1.00 0.00 O ATOM 579 CB ILE A 52 -0.262 4.114 -2.753 1.00 0.00 C ATOM 580 CG1 ILE A 52 0.194 4.953 -1.551 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.586 3.427 -2.478 1.00 0.00 C ATOM 582 CD1 ILE A 52 -0.915 5.324 -0.587 1.00 0.00 C ATOM 0 H ILE A 52 1.881 4.781 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 52 1.137 2.559 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.416 4.779 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.961 4.400 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.660 5.867 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.339 4.175 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.902 2.878 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.470 2.734 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.503 5.916 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.673 5.907 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.368 4.417 -0.187 1.00 0.00 H new ATOM 594 N LYS A 53 0.283 2.436 -5.386 1.00 0.00 N ATOM 595 CA LYS A 53 -0.202 1.549 -6.437 1.00 0.00 C ATOM 596 C LYS A 53 0.681 0.312 -6.544 1.00 0.00 C ATOM 597 O LYS A 53 0.183 -0.812 -6.586 1.00 0.00 O ATOM 598 CB LYS A 53 -0.244 2.280 -7.780 1.00 0.00 C ATOM 599 CG LYS A 53 -0.737 1.413 -8.930 1.00 0.00 C ATOM 600 CD LYS A 53 0.347 1.196 -9.973 1.00 0.00 C ATOM 601 CE LYS A 53 -0.207 0.519 -11.216 1.00 0.00 C ATOM 602 NZ LYS A 53 0.427 1.038 -12.460 1.00 0.00 N ATOM 0 H LYS A 53 0.609 3.344 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.213 1.236 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.892 3.152 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.755 2.648 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.069 0.449 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.602 1.884 -9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.789 2.154 -10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.145 0.586 -9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.044 -0.557 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.285 0.676 -11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.022 0.551 -13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.250 2.060 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.452 0.866 -12.425 1.00 0.00 H new ATOM 616 N ASN A 54 1.997 0.525 -6.577 1.00 0.00 N ATOM 617 CA ASN A 54 2.950 -0.580 -6.674 1.00 0.00 C ATOM 618 C ASN A 54 2.667 -1.631 -5.607 1.00 0.00 C ATOM 619 O ASN A 54 2.579 -2.822 -5.907 1.00 0.00 O ATOM 620 CB ASN A 54 4.382 -0.066 -6.524 1.00 0.00 C ATOM 621 CG ASN A 54 4.653 1.160 -7.373 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.042 1.348 -8.427 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.572 2.002 -6.918 1.00 0.00 N ATOM 0 H ASN A 54 2.426 1.450 -6.538 1.00 0.00 H new ATOM 0 HA ASN A 54 2.837 -1.037 -7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.571 0.172 -5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.079 -0.857 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.797 2.845 -7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.053 1.806 -6.040 1.00 0.00 H new ATOM 630 N LEU A 55 2.513 -1.189 -4.361 1.00 0.00 N ATOM 631 CA LEU A 55 2.227 -2.109 -3.268 1.00 0.00 C ATOM 632 C LEU A 55 0.937 -2.862 -3.550 1.00 0.00 C ATOM 633 O LEU A 55 0.851 -4.069 -3.327 1.00 0.00 O ATOM 634 CB LEU A 55 2.132 -1.361 -1.936 1.00 0.00 C ATOM 635 CG LEU A 55 3.233 -0.328 -1.688 1.00 0.00 C ATOM 636 CD1 LEU A 55 3.152 0.209 -0.268 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.604 -0.933 -1.953 1.00 0.00 C ATOM 0 H LEU A 55 2.581 -0.209 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 55 3.046 -2.825 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.166 -0.857 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.151 -2.090 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 55 3.085 0.503 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.943 0.942 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.182 0.682 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.272 -0.612 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.374 -0.183 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.761 -1.783 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.660 -1.267 -2.989 1.00 0.00 H new ATOM 649 N GLU A 56 -0.052 -2.150 -4.077 1.00 0.00 N ATOM 650 CA GLU A 56 -1.321 -2.770 -4.427 1.00 0.00 C ATOM 651 C GLU A 56 -1.066 -3.912 -5.405 1.00 0.00 C ATOM 652 O GLU A 56 -1.793 -4.905 -5.432 1.00 0.00 O ATOM 653 CB GLU A 56 -2.271 -1.740 -5.046 1.00 0.00 C ATOM 654 CG GLU A 56 -3.516 -1.483 -4.213 1.00 0.00 C ATOM 655 CD GLU A 56 -4.748 -2.155 -4.784 1.00 0.00 C ATOM 656 OE1 GLU A 56 -5.117 -1.839 -5.935 1.00 0.00 O ATOM 657 OE2 GLU A 56 -5.345 -2.998 -4.081 1.00 0.00 O ATOM 0 H GLU A 56 0.001 -1.150 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.791 -3.162 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.736 -0.801 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.571 -2.084 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.349 -1.841 -3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.690 -0.409 -4.148 1.00 0.00 H new ATOM 664 N ILE A 57 -0.003 -3.759 -6.193 1.00 0.00 N ATOM 665 CA ILE A 57 0.392 -4.766 -7.165 1.00 0.00 C ATOM 666 C ILE A 57 0.955 -5.986 -6.458 1.00 0.00 C ATOM 667 O ILE A 57 0.639 -7.125 -6.802 1.00 0.00 O ATOM 668 CB ILE A 57 1.459 -4.218 -8.133 1.00 0.00 C ATOM 669 CG1 ILE A 57 1.093 -2.804 -8.570 1.00 0.00 C ATOM 670 CG2 ILE A 57 1.611 -5.127 -9.336 1.00 0.00 C ATOM 671 CD1 ILE A 57 -0.365 -2.643 -8.926 1.00 0.00 C ATOM 0 H ILE A 57 0.602 -2.938 -6.173 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.497 -5.040 -7.733 1.00 0.00 H new ATOM 0 HB ILE A 57 2.416 -4.186 -7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.342 -2.108 -7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.702 -2.529 -9.431 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.369 -4.721 -10.006 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.914 -6.121 -9.005 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.660 -5.194 -9.864 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.554 -1.613 -9.228 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.615 -3.314 -9.748 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.980 -2.886 -8.060 1.00 0.00 H new ATOM 683 N SER A 58 1.789 -5.730 -5.459 1.00 0.00 N ATOM 684 CA SER A 58 2.406 -6.797 -4.680 1.00 0.00 C ATOM 685 C SER A 58 1.340 -7.683 -4.041 1.00 0.00 C ATOM 686 O SER A 58 1.354 -8.905 -4.201 1.00 0.00 O ATOM 687 CB SER A 58 3.315 -6.211 -3.599 1.00 0.00 C ATOM 688 OG SER A 58 3.774 -7.219 -2.715 1.00 0.00 O ATOM 0 H SER A 58 2.055 -4.789 -5.168 1.00 0.00 H new ATOM 0 HA SER A 58 3.007 -7.407 -5.354 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.167 -5.717 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.773 -5.450 -3.037 1.00 0.00 H new ATOM 0 HG SER A 58 4.354 -6.818 -2.035 1.00 0.00 H new ATOM 694 N ILE A 59 0.413 -7.058 -3.322 1.00 0.00 N ATOM 695 CA ILE A 59 -0.665 -7.786 -2.664 1.00 0.00 C ATOM 696 C ILE A 59 -1.484 -8.579 -3.676 1.00 0.00 C ATOM 697 O ILE A 59 -1.683 -9.787 -3.525 1.00 0.00 O ATOM 698 CB ILE A 59 -1.599 -6.828 -1.896 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.785 -5.895 -0.997 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.609 -7.616 -1.076 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.200 -4.443 -1.100 1.00 0.00 C ATOM 0 H ILE A 59 0.387 -6.048 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.203 -8.474 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.143 -6.220 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.887 -6.221 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.270 -5.982 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.260 -6.926 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.208 -8.240 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.083 -8.248 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.581 -3.840 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.072 -4.100 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.246 -4.342 -0.812 1.00 0.00 H new ATOM 713 N ASP A 60 -1.951 -7.892 -4.715 1.00 0.00 N ATOM 714 CA ASP A 60 -2.742 -8.532 -5.759 1.00 0.00 C ATOM 715 C ASP A 60 -1.963 -9.682 -6.390 1.00 0.00 C ATOM 716 O ASP A 60 -2.534 -10.716 -6.736 1.00 0.00 O ATOM 717 CB ASP A 60 -3.136 -7.513 -6.831 1.00 0.00 C ATOM 718 CG ASP A 60 -4.560 -7.019 -6.663 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.476 -7.863 -6.587 1.00 0.00 O ATOM 720 OD2 ASP A 60 -4.758 -5.787 -6.610 1.00 0.00 O ATOM 0 H ASP A 60 -1.795 -6.894 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.649 -8.932 -5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.453 -6.665 -6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.025 -7.965 -7.817 1.00 0.00 H new ATOM 725 N ALA A 61 -0.652 -9.496 -6.526 1.00 0.00 N ATOM 726 CA ALA A 61 0.205 -10.524 -7.103 1.00 0.00 C ATOM 727 C ALA A 61 0.077 -11.823 -6.318 1.00 0.00 C ATOM 728 O ALA A 61 -0.136 -12.893 -6.891 1.00 0.00 O ATOM 729 CB ALA A 61 1.652 -10.056 -7.127 1.00 0.00 C ATOM 0 H ALA A 61 -0.163 -8.646 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.115 -10.707 -8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.279 -10.835 -7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.731 -9.150 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.984 -9.847 -6.110 1.00 0.00 H new ATOM 735 N LEU A 62 0.193 -11.718 -4.997 1.00 0.00 N ATOM 736 CA LEU A 62 0.076 -12.881 -4.132 1.00 0.00 C ATOM 737 C LEU A 62 -1.241 -13.598 -4.378 1.00 0.00 C ATOM 738 O LEU A 62 -1.257 -14.799 -4.630 1.00 0.00 O ATOM 739 CB LEU A 62 0.174 -12.462 -2.667 1.00 0.00 C ATOM 740 CG LEU A 62 1.582 -12.092 -2.206 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.720 -10.585 -2.045 1.00 0.00 C ATOM 742 CD2 LEU A 62 1.927 -12.805 -0.907 1.00 0.00 C ATOM 0 H LEU A 62 0.367 -10.841 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 62 0.894 -13.564 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.484 -11.609 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.196 -13.276 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 62 2.286 -12.417 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.731 -10.345 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.524 -10.098 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.004 -10.231 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.934 -12.528 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.216 -12.516 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.878 -13.883 -1.060 1.00 0.00 H new ATOM 754 N MET A 63 -2.342 -12.847 -4.316 1.00 0.00 N ATOM 755 CA MET A 63 -3.675 -13.410 -4.536 1.00 0.00 C ATOM 756 C MET A 63 -3.689 -14.331 -5.751 1.00 0.00 C ATOM 757 O MET A 63 -4.057 -15.501 -5.651 1.00 0.00 O ATOM 758 CB MET A 63 -4.700 -12.291 -4.726 1.00 0.00 C ATOM 759 CG MET A 63 -6.123 -12.710 -4.393 1.00 0.00 C ATOM 760 SD MET A 63 -6.859 -11.714 -3.082 1.00 0.00 S ATOM 761 CE MET A 63 -5.518 -11.666 -1.896 1.00 0.00 C ATOM 0 H MET A 63 -2.337 -11.847 -4.115 1.00 0.00 H new ATOM 0 HA MET A 63 -3.939 -13.995 -3.655 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.423 -11.444 -4.098 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.663 -11.947 -5.760 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.738 -12.633 -5.290 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.127 -13.758 -4.092 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.925 -11.694 -0.885 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.866 -12.526 -2.049 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.945 -10.748 -2.031 1.00 0.00 H new ATOM 771 N ALA A 64 -3.274 -13.802 -6.895 1.00 0.00 N ATOM 772 CA ALA A 64 -3.230 -14.589 -8.118 1.00 0.00 C ATOM 773 C ALA A 64 -2.274 -15.768 -7.965 1.00 0.00 C ATOM 774 O ALA A 64 -2.407 -16.783 -8.649 1.00 0.00 O ATOM 775 CB ALA A 64 -2.814 -13.719 -9.295 1.00 0.00 C ATOM 0 H ALA A 64 -2.965 -12.836 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.229 -14.979 -8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.786 -14.323 -10.202 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.532 -12.909 -9.421 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.825 -13.301 -9.107 1.00 0.00 H new ATOM 781 N LYS A 65 -1.314 -15.630 -7.051 1.00 0.00 N ATOM 782 CA LYS A 65 -0.340 -16.681 -6.791 1.00 0.00 C ATOM 783 C LYS A 65 -0.923 -17.727 -5.853 1.00 0.00 C ATOM 784 O LYS A 65 -0.547 -18.897 -5.893 1.00 0.00 O ATOM 785 CB LYS A 65 0.935 -16.087 -6.188 1.00 0.00 C ATOM 786 CG LYS A 65 2.015 -15.797 -7.218 1.00 0.00 C ATOM 787 CD LYS A 65 2.655 -14.437 -6.990 1.00 0.00 C ATOM 788 CE LYS A 65 3.830 -14.528 -6.028 1.00 0.00 C ATOM 789 NZ LYS A 65 4.429 -13.192 -5.757 1.00 0.00 N ATOM 0 H LYS A 65 -1.193 -14.795 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.091 -17.161 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.684 -15.163 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.331 -16.777 -5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.780 -16.572 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.584 -15.834 -8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.994 -14.029 -7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.911 -13.746 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.498 -14.974 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.590 -15.189 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.633 -13.103 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.312 -13.091 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.761 -12.448 -6.043 1.00 0.00 H new ATOM 803 N ILE A 66 -1.839 -17.290 -5.000 1.00 0.00 N ATOM 804 CA ILE A 66 -2.469 -18.182 -4.038 1.00 0.00 C ATOM 805 C ILE A 66 -3.432 -19.143 -4.725 1.00 0.00 C ATOM 806 O ILE A 66 -3.519 -20.316 -4.363 1.00 0.00 O ATOM 807 CB ILE A 66 -3.240 -17.416 -2.944 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.610 -16.051 -2.678 1.00 0.00 C ATOM 809 CG2 ILE A 66 -3.282 -18.236 -1.670 1.00 0.00 C ATOM 810 CD1 ILE A 66 -1.150 -16.106 -2.279 1.00 0.00 C ATOM 0 H ILE A 66 -2.162 -16.324 -4.955 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.657 -18.739 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.258 -17.251 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.707 -15.438 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.172 -15.552 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.828 -17.688 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.783 -19.185 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.265 -18.426 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.781 -15.095 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.045 -16.689 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.572 -16.574 -3.076 1.00 0.00 H new ATOM 822 N LYS A 67 -4.163 -18.631 -5.709 1.00 0.00 N ATOM 823 CA LYS A 67 -5.134 -19.439 -6.438 1.00 0.00 C ATOM 824 C LYS A 67 -4.526 -20.053 -7.696 1.00 0.00 C ATOM 825 O LYS A 67 -4.962 -21.112 -8.149 1.00 0.00 O ATOM 826 CB LYS A 67 -6.350 -18.591 -6.812 1.00 0.00 C ATOM 827 CG LYS A 67 -7.124 -18.074 -5.611 1.00 0.00 C ATOM 828 CD LYS A 67 -7.954 -19.174 -4.965 1.00 0.00 C ATOM 829 CE LYS A 67 -9.420 -19.065 -5.349 1.00 0.00 C ATOM 830 NZ LYS A 67 -9.630 -19.290 -6.807 1.00 0.00 N ATOM 0 H LYS A 67 -4.102 -17.661 -6.020 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.444 -20.253 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.020 -17.744 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.018 -19.184 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.429 -17.664 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.778 -17.259 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.569 -20.147 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.856 -19.116 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.999 -19.794 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.795 -18.078 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.643 -19.207 -7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.098 -18.579 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.296 -20.241 -7.063 1.00 0.00 H new ATOM 844 N SER A 68 -3.527 -19.386 -8.267 1.00 0.00 N ATOM 845 CA SER A 68 -2.883 -19.882 -9.479 1.00 0.00 C ATOM 846 C SER A 68 -1.525 -20.506 -9.182 1.00 0.00 C ATOM 847 O SER A 68 -0.663 -20.582 -10.056 1.00 0.00 O ATOM 848 CB SER A 68 -2.726 -18.751 -10.497 1.00 0.00 C ATOM 849 OG SER A 68 -2.940 -19.221 -11.818 1.00 0.00 O ATOM 0 H SER A 68 -3.148 -18.507 -7.913 1.00 0.00 H new ATOM 0 HA SER A 68 -3.524 -20.659 -9.896 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.434 -17.954 -10.272 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.727 -18.322 -10.418 1.00 0.00 H new ATOM 0 HG SER A 68 -2.836 -18.479 -12.450 1.00 0.00 H new ATOM 855 N THR A 69 -1.346 -20.962 -7.946 1.00 0.00 N ATOM 856 CA THR A 69 -0.100 -21.592 -7.529 1.00 0.00 C ATOM 857 C THR A 69 -0.137 -21.952 -6.047 1.00 0.00 C ATOM 858 O THR A 69 -0.804 -21.288 -5.252 1.00 0.00 O ATOM 859 CB THR A 69 1.087 -20.673 -7.815 1.00 0.00 C ATOM 860 OG1 THR A 69 0.672 -19.322 -7.905 1.00 0.00 O ATOM 861 CG2 THR A 69 1.793 -21.017 -9.101 1.00 0.00 C ATOM 0 H THR A 69 -2.053 -20.906 -7.213 1.00 0.00 H new ATOM 0 HA THR A 69 0.018 -22.511 -8.103 1.00 0.00 H new ATOM 0 HB THR A 69 1.774 -20.815 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.668 -18.921 -7.011 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.627 -20.332 -9.253 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.168 -22.039 -9.048 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.095 -20.929 -9.934 1.00 0.00 H new ATOM 869 N MET A 70 0.581 -23.009 -5.683 1.00 0.00 N ATOM 870 CA MET A 70 0.631 -23.463 -4.298 1.00 0.00 C ATOM 871 C MET A 70 1.527 -22.559 -3.459 1.00 0.00 C ATOM 872 O MET A 70 2.607 -22.961 -3.029 1.00 0.00 O ATOM 873 CB MET A 70 1.135 -24.906 -4.230 1.00 0.00 C ATOM 874 CG MET A 70 0.028 -25.943 -4.338 1.00 0.00 C ATOM 875 SD MET A 70 -0.092 -26.665 -5.985 1.00 0.00 S ATOM 876 CE MET A 70 1.482 -27.510 -6.100 1.00 0.00 C ATOM 0 H MET A 70 1.137 -23.568 -6.329 1.00 0.00 H new ATOM 0 HA MET A 70 -0.380 -23.419 -3.892 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.854 -25.069 -5.033 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.668 -25.052 -3.290 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.206 -26.735 -3.611 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.924 -25.480 -4.079 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.379 -28.386 -6.740 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.226 -26.836 -6.525 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.801 -27.822 -5.106 1.00 0.00 H new ATOM 886 N MET A 71 1.069 -21.333 -3.227 1.00 0.00 N ATOM 887 CA MET A 71 1.829 -20.370 -2.438 1.00 0.00 C ATOM 888 C MET A 71 1.849 -20.772 -0.966 1.00 0.00 C ATOM 889 O MET A 71 0.800 -20.979 -0.354 1.00 0.00 O ATOM 890 CB MET A 71 1.231 -18.970 -2.592 1.00 0.00 C ATOM 891 CG MET A 71 2.190 -17.968 -3.212 1.00 0.00 C ATOM 892 SD MET A 71 3.746 -17.846 -2.309 1.00 0.00 S ATOM 893 CE MET A 71 4.116 -16.105 -2.508 1.00 0.00 C ATOM 0 H MET A 71 0.176 -20.983 -3.574 1.00 0.00 H new ATOM 0 HA MET A 71 2.855 -20.360 -2.807 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.334 -19.032 -3.208 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.920 -18.606 -1.613 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.394 -18.256 -4.243 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.715 -16.988 -3.244 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.024 -15.991 -3.100 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.287 -15.613 -3.017 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.262 -15.650 -1.528 1.00 0.00 H new ATOM 903 N THR A 72 3.047 -20.880 -0.403 1.00 0.00 N ATOM 904 CA THR A 72 3.203 -21.256 0.996 1.00 0.00 C ATOM 905 C THR A 72 2.979 -20.054 1.908 1.00 0.00 C ATOM 906 O THR A 72 3.363 -18.933 1.577 1.00 0.00 O ATOM 907 CB THR A 72 4.595 -21.841 1.238 1.00 0.00 C ATOM 908 OG1 THR A 72 5.065 -22.510 0.082 1.00 0.00 O ATOM 909 CG2 THR A 72 4.637 -22.825 2.387 1.00 0.00 C ATOM 0 H THR A 72 3.925 -20.712 -0.895 1.00 0.00 H new ATOM 0 HA THR A 72 2.454 -22.013 1.229 1.00 0.00 H new ATOM 0 HB THR A 72 5.229 -20.989 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.957 -22.876 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.653 -23.203 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.326 -22.326 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.963 -23.656 2.179 1.00 0.00 H new ATOM 917 N ARG A 73 2.353 -20.296 3.057 1.00 0.00 N ATOM 918 CA ARG A 73 2.077 -19.232 4.016 1.00 0.00 C ATOM 919 C ARG A 73 3.353 -18.471 4.369 1.00 0.00 C ATOM 920 O ARG A 73 3.325 -17.260 4.586 1.00 0.00 O ATOM 921 CB ARG A 73 1.442 -19.813 5.282 1.00 0.00 C ATOM 922 CG ARG A 73 -0.016 -19.420 5.465 1.00 0.00 C ATOM 923 CD ARG A 73 -0.937 -20.627 5.389 1.00 0.00 C ATOM 924 NE ARG A 73 -0.813 -21.331 4.114 1.00 0.00 N ATOM 925 CZ ARG A 73 -1.228 -22.581 3.914 1.00 0.00 C ATOM 926 NH1 ARG A 73 -1.793 -23.267 4.901 1.00 0.00 N ATOM 927 NH2 ARG A 73 -1.077 -23.147 2.723 1.00 0.00 N ATOM 0 H ARG A 73 2.028 -21.219 3.346 1.00 0.00 H new ATOM 0 HA ARG A 73 1.378 -18.533 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.516 -20.900 5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.011 -19.480 6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.142 -18.926 6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.298 -18.698 4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.706 -21.312 6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.969 -20.305 5.526 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.384 -20.836 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.911 -22.837 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.109 -24.224 4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.643 -22.625 1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.395 -24.104 2.569 1.00 0.00 H new ATOM 941 N GLU A 74 4.469 -19.191 4.421 1.00 0.00 N ATOM 942 CA GLU A 74 5.755 -18.581 4.741 1.00 0.00 C ATOM 943 C GLU A 74 6.100 -17.491 3.732 1.00 0.00 C ATOM 944 O GLU A 74 6.491 -16.385 4.106 1.00 0.00 O ATOM 945 CB GLU A 74 6.856 -19.644 4.762 1.00 0.00 C ATOM 946 CG GLU A 74 6.572 -20.795 5.714 1.00 0.00 C ATOM 947 CD GLU A 74 7.747 -21.107 6.620 1.00 0.00 C ATOM 948 OE1 GLU A 74 8.198 -20.195 7.344 1.00 0.00 O ATOM 949 OE2 GLU A 74 8.216 -22.265 6.605 1.00 0.00 O ATOM 0 H GLU A 74 4.509 -20.195 4.246 1.00 0.00 H new ATOM 0 HA GLU A 74 5.682 -18.128 5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.986 -20.040 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.798 -19.174 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.703 -20.551 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.317 -21.684 5.137 1.00 0.00 H new ATOM 956 N GLN A 75 5.944 -17.813 2.452 1.00 0.00 N ATOM 957 CA GLN A 75 6.232 -16.861 1.386 1.00 0.00 C ATOM 958 C GLN A 75 5.353 -15.621 1.526 1.00 0.00 C ATOM 959 O GLN A 75 5.768 -14.512 1.191 1.00 0.00 O ATOM 960 CB GLN A 75 6.009 -17.509 0.020 1.00 0.00 C ATOM 961 CG GLN A 75 7.077 -18.525 -0.351 1.00 0.00 C ATOM 962 CD GLN A 75 8.156 -17.938 -1.241 1.00 0.00 C ATOM 963 OE1 GLN A 75 7.876 -17.123 -2.120 1.00 0.00 O ATOM 964 NE2 GLN A 75 9.397 -18.352 -1.018 1.00 0.00 N ATOM 0 H GLN A 75 5.620 -18.724 2.128 1.00 0.00 H new ATOM 0 HA GLN A 75 7.277 -16.560 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.035 -17.999 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.979 -16.730 -0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.534 -18.915 0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.610 -19.368 -0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.584 -19.029 -0.278 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.164 -17.993 -1.586 1.00 0.00 H new ATOM 973 N ILE A 76 4.141 -15.821 2.033 1.00 0.00 N ATOM 974 CA ILE A 76 3.205 -14.721 2.229 1.00 0.00 C ATOM 975 C ILE A 76 3.647 -13.838 3.389 1.00 0.00 C ATOM 976 O ILE A 76 3.451 -12.624 3.370 1.00 0.00 O ATOM 977 CB ILE A 76 1.779 -15.234 2.504 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.381 -16.292 1.473 1.00 0.00 C ATOM 979 CG2 ILE A 76 0.789 -14.079 2.493 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.327 -15.766 0.056 1.00 0.00 C ATOM 0 H ILE A 76 3.785 -16.734 2.315 1.00 0.00 H new ATOM 0 HA ILE A 76 3.198 -14.139 1.307 1.00 0.00 H new ATOM 0 HB ILE A 76 1.762 -15.695 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.092 -17.117 1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.405 -16.697 1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.214 -14.458 2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.062 -13.359 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.809 -13.592 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.038 -16.571 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.595 -14.960 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.308 -15.387 -0.229 1.00 0.00 H new ATOM 992 N GLN A 77 4.245 -14.461 4.400 1.00 0.00 N ATOM 993 CA GLN A 77 4.721 -13.737 5.571 1.00 0.00 C ATOM 994 C GLN A 77 5.833 -12.767 5.189 1.00 0.00 C ATOM 995 O GLN A 77 5.829 -11.607 5.603 1.00 0.00 O ATOM 996 CB GLN A 77 5.223 -14.715 6.637 1.00 0.00 C ATOM 997 CG GLN A 77 4.871 -14.301 8.055 1.00 0.00 C ATOM 998 CD GLN A 77 6.050 -13.702 8.798 1.00 0.00 C ATOM 999 OE1 GLN A 77 7.039 -14.383 9.065 1.00 0.00 O ATOM 1000 NE2 GLN A 77 5.948 -12.422 9.135 1.00 0.00 N ATOM 0 H GLN A 77 4.411 -15.467 4.431 1.00 0.00 H new ATOM 0 HA GLN A 77 3.887 -13.167 5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.803 -15.701 6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.306 -14.807 6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.058 -13.576 8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.504 -15.169 8.603 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.108 -11.896 8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.709 -11.964 9.636 1.00 0.00 H new ATOM 1009 N LYS A 78 6.785 -13.246 4.394 1.00 0.00 N ATOM 1010 CA LYS A 78 7.898 -12.412 3.960 1.00 0.00 C ATOM 1011 C LYS A 78 7.408 -11.303 3.044 1.00 0.00 C ATOM 1012 O LYS A 78 7.729 -10.132 3.252 1.00 0.00 O ATOM 1013 CB LYS A 78 8.958 -13.257 3.251 1.00 0.00 C ATOM 1014 CG LYS A 78 9.444 -14.440 4.073 1.00 0.00 C ATOM 1015 CD LYS A 78 10.620 -14.059 4.960 1.00 0.00 C ATOM 1016 CE LYS A 78 10.205 -13.933 6.419 1.00 0.00 C ATOM 1017 NZ LYS A 78 10.264 -12.522 6.892 1.00 0.00 N ATOM 0 H LYS A 78 6.807 -14.202 4.039 1.00 0.00 H new ATOM 0 HA LYS A 78 8.350 -11.959 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.548 -13.623 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.810 -12.623 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.628 -14.815 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.738 -15.251 3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.404 -14.811 4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.043 -13.114 4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.192 -14.316 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.857 -14.551 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.527 -12.365 7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.198 -12.335 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.108 -11.880 6.089 1.00 0.00 H new ATOM 1031 N GLU A 79 6.611 -11.662 2.041 1.00 0.00 N ATOM 1032 CA GLU A 79 6.072 -10.666 1.128 1.00 0.00 C ATOM 1033 C GLU A 79 5.312 -9.622 1.926 1.00 0.00 C ATOM 1034 O GLU A 79 5.333 -8.435 1.604 1.00 0.00 O ATOM 1035 CB GLU A 79 5.159 -11.316 0.086 1.00 0.00 C ATOM 1036 CG GLU A 79 5.894 -12.228 -0.883 1.00 0.00 C ATOM 1037 CD GLU A 79 5.554 -11.938 -2.331 1.00 0.00 C ATOM 1038 OE1 GLU A 79 5.834 -10.810 -2.793 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.007 -12.836 -3.004 1.00 0.00 O ATOM 0 H GLU A 79 6.329 -12.622 1.844 1.00 0.00 H new ATOM 0 HA GLU A 79 6.894 -10.189 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.388 -11.891 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.651 -10.534 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.968 -12.116 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.648 -13.265 -0.657 1.00 0.00 H new ATOM 1046 N TYR A 80 4.675 -10.074 3.002 1.00 0.00 N ATOM 1047 CA TYR A 80 3.952 -9.174 3.878 1.00 0.00 C ATOM 1048 C TYR A 80 4.952 -8.227 4.522 1.00 0.00 C ATOM 1049 O TYR A 80 4.665 -7.048 4.734 1.00 0.00 O ATOM 1050 CB TYR A 80 3.186 -9.955 4.948 1.00 0.00 C ATOM 1051 CG TYR A 80 2.471 -9.075 5.949 1.00 0.00 C ATOM 1052 CD1 TYR A 80 3.170 -8.447 6.973 1.00 0.00 C ATOM 1053 CD2 TYR A 80 1.099 -8.874 5.871 1.00 0.00 C ATOM 1054 CE1 TYR A 80 2.521 -7.643 7.891 1.00 0.00 C ATOM 1055 CE2 TYR A 80 0.443 -8.071 6.785 1.00 0.00 C ATOM 1056 CZ TYR A 80 1.158 -7.458 7.791 1.00 0.00 C ATOM 1057 OH TYR A 80 0.509 -6.657 8.703 1.00 0.00 O ATOM 0 H TYR A 80 4.648 -11.054 3.283 1.00 0.00 H new ATOM 0 HA TYR A 80 3.221 -8.608 3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.457 -10.602 4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.882 -10.603 5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.238 -8.590 7.053 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.536 -9.353 5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.078 -7.163 8.682 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.624 -7.925 6.711 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.448 -6.630 8.492 1.00 0.00 H new ATOM 1067 N ASP A 81 6.146 -8.750 4.808 1.00 0.00 N ATOM 1068 CA ASP A 81 7.205 -7.948 5.397 1.00 0.00 C ATOM 1069 C ASP A 81 7.713 -6.933 4.383 1.00 0.00 C ATOM 1070 O ASP A 81 8.016 -5.793 4.734 1.00 0.00 O ATOM 1071 CB ASP A 81 8.352 -8.837 5.879 1.00 0.00 C ATOM 1072 CG ASP A 81 9.258 -8.128 6.866 1.00 0.00 C ATOM 1073 OD1 ASP A 81 8.844 -7.954 8.033 1.00 0.00 O ATOM 1074 OD2 ASP A 81 10.380 -7.747 6.474 1.00 0.00 O ATOM 0 H ASP A 81 6.398 -9.724 4.639 1.00 0.00 H new ATOM 0 HA ASP A 81 6.801 -7.417 6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.942 -9.733 6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.939 -9.164 5.021 1.00 0.00 H new ATOM 1079 N ALA A 82 7.786 -7.343 3.115 1.00 0.00 N ATOM 1080 CA ALA A 82 8.237 -6.443 2.064 1.00 0.00 C ATOM 1081 C ALA A 82 7.309 -5.240 1.990 1.00 0.00 C ATOM 1082 O ALA A 82 7.746 -4.110 1.768 1.00 0.00 O ATOM 1083 CB ALA A 82 8.289 -7.167 0.726 1.00 0.00 C ATOM 0 H ALA A 82 7.541 -8.281 2.798 1.00 0.00 H new ATOM 0 HA ALA A 82 9.244 -6.098 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.628 -6.478 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.981 -8.006 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.295 -7.536 0.473 1.00 0.00 H new ATOM 1089 N LEU A 83 6.023 -5.495 2.205 1.00 0.00 N ATOM 1090 CA LEU A 83 5.021 -4.443 2.191 1.00 0.00 C ATOM 1091 C LEU A 83 5.106 -3.627 3.475 1.00 0.00 C ATOM 1092 O LEU A 83 4.817 -2.430 3.481 1.00 0.00 O ATOM 1093 CB LEU A 83 3.621 -5.038 2.035 1.00 0.00 C ATOM 1094 CG LEU A 83 3.303 -5.590 0.641 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.762 -7.008 0.736 1.00 0.00 C ATOM 1096 CD2 LEU A 83 2.313 -4.686 -0.078 1.00 0.00 C ATOM 0 H LEU A 83 5.652 -6.427 2.392 1.00 0.00 H new ATOM 0 HA LEU A 83 5.214 -3.789 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.500 -5.840 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.887 -4.271 2.282 1.00 0.00 H new ATOM 0 HG LEU A 83 4.227 -5.615 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.543 -7.381 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.505 -7.650 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.850 -7.010 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.099 -5.094 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.389 -4.627 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.740 -3.689 -0.182 1.00 0.00 H new ATOM 1108 N VAL A 84 5.519 -4.280 4.562 1.00 0.00 N ATOM 1109 CA VAL A 84 5.654 -3.606 5.844 1.00 0.00 C ATOM 1110 C VAL A 84 6.794 -2.594 5.792 1.00 0.00 C ATOM 1111 O VAL A 84 6.718 -1.527 6.403 1.00 0.00 O ATOM 1112 CB VAL A 84 5.911 -4.610 6.989 1.00 0.00 C ATOM 1113 CG1 VAL A 84 6.081 -3.885 8.317 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.778 -5.624 7.072 1.00 0.00 C ATOM 0 H VAL A 84 5.764 -5.270 4.576 1.00 0.00 H new ATOM 0 HA VAL A 84 4.714 -3.091 6.043 1.00 0.00 H new ATOM 0 HB VAL A 84 6.837 -5.144 6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.261 -4.613 9.108 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.928 -3.202 8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.176 -3.321 8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.975 -6.324 7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.838 -5.105 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.709 -6.170 6.131 1.00 0.00 H new ATOM 1124 N LYS A 85 7.844 -2.931 5.049 1.00 0.00 N ATOM 1125 CA LYS A 85 8.992 -2.044 4.907 1.00 0.00 C ATOM 1126 C LYS A 85 8.629 -0.849 4.034 1.00 0.00 C ATOM 1127 O LYS A 85 8.866 0.302 4.402 1.00 0.00 O ATOM 1128 CB LYS A 85 10.178 -2.799 4.301 1.00 0.00 C ATOM 1129 CG LYS A 85 11.327 -3.006 5.275 1.00 0.00 C ATOM 1130 CD LYS A 85 12.418 -1.966 5.076 1.00 0.00 C ATOM 1131 CE LYS A 85 13.362 -1.917 6.267 1.00 0.00 C ATOM 1132 NZ LYS A 85 12.735 -1.257 7.446 1.00 0.00 N ATOM 0 H LYS A 85 7.923 -3.810 4.537 1.00 0.00 H new ATOM 0 HA LYS A 85 9.277 -1.684 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.836 -3.770 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.543 -2.250 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.953 -2.952 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.745 -4.004 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.982 -2.197 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.965 -0.986 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.661 -2.930 6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.269 -1.379 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.466 -1.045 8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.277 -0.373 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.024 -1.892 7.862 1.00 0.00 H new ATOM 1146 N SER A 86 8.033 -1.135 2.882 1.00 0.00 N ATOM 1147 CA SER A 86 7.617 -0.087 1.961 1.00 0.00 C ATOM 1148 C SER A 86 6.526 0.765 2.595 1.00 0.00 C ATOM 1149 O SER A 86 6.460 1.976 2.381 1.00 0.00 O ATOM 1150 CB SER A 86 7.112 -0.698 0.652 1.00 0.00 C ATOM 1151 OG SER A 86 7.792 -1.905 0.356 1.00 0.00 O ATOM 0 H SER A 86 7.828 -2.083 2.565 1.00 0.00 H new ATOM 0 HA SER A 86 8.477 0.546 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.041 -0.889 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.254 0.012 -0.163 1.00 0.00 H new ATOM 0 HG SER A 86 7.343 -2.652 0.804 1.00 0.00 H new ATOM 1157 N SER A 87 5.678 0.120 3.391 1.00 0.00 N ATOM 1158 CA SER A 87 4.593 0.814 4.072 1.00 0.00 C ATOM 1159 C SER A 87 5.153 1.806 5.083 1.00 0.00 C ATOM 1160 O SER A 87 4.720 2.955 5.145 1.00 0.00 O ATOM 1161 CB SER A 87 3.678 -0.190 4.776 1.00 0.00 C ATOM 1162 OG SER A 87 2.689 -0.686 3.890 1.00 0.00 O ATOM 0 H SER A 87 5.722 -0.881 3.579 1.00 0.00 H new ATOM 0 HA SER A 87 4.011 1.359 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.271 -1.018 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.199 0.287 5.631 1.00 0.00 H new ATOM 0 HG SER A 87 3.039 -1.467 3.413 1.00 0.00 H new ATOM 1168 N GLU A 88 6.124 1.355 5.872 1.00 0.00 N ATOM 1169 CA GLU A 88 6.751 2.206 6.876 1.00 0.00 C ATOM 1170 C GLU A 88 7.322 3.463 6.232 1.00 0.00 C ATOM 1171 O GLU A 88 7.143 4.572 6.739 1.00 0.00 O ATOM 1172 CB GLU A 88 7.859 1.444 7.606 1.00 0.00 C ATOM 1173 CG GLU A 88 7.348 0.282 8.442 1.00 0.00 C ATOM 1174 CD GLU A 88 7.296 0.608 9.923 1.00 0.00 C ATOM 1175 OE1 GLU A 88 8.344 0.998 10.482 1.00 0.00 O ATOM 1176 OE2 GLU A 88 6.208 0.477 10.523 1.00 0.00 O ATOM 0 H GLU A 88 6.493 0.405 5.835 1.00 0.00 H new ATOM 0 HA GLU A 88 5.989 2.498 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.573 1.068 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.400 2.136 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.351 0.003 8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.992 -0.584 8.287 1.00 0.00 H new ATOM 1183 N ASP A 89 8.004 3.282 5.109 1.00 0.00 N ATOM 1184 CA ASP A 89 8.598 4.397 4.387 1.00 0.00 C ATOM 1185 C ASP A 89 7.515 5.323 3.839 1.00 0.00 C ATOM 1186 O ASP A 89 7.722 6.529 3.709 1.00 0.00 O ATOM 1187 CB ASP A 89 9.477 3.887 3.243 1.00 0.00 C ATOM 1188 CG ASP A 89 10.653 4.802 2.964 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.423 5.999 2.697 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.804 4.320 3.014 1.00 0.00 O ATOM 0 H ASP A 89 8.159 2.371 4.678 1.00 0.00 H new ATOM 0 HA ASP A 89 9.218 4.960 5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.846 2.891 3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.874 3.790 2.340 1.00 0.00 H new ATOM 1195 N LEU A 90 6.359 4.746 3.519 1.00 0.00 N ATOM 1196 CA LEU A 90 5.242 5.519 2.985 1.00 0.00 C ATOM 1197 C LEU A 90 4.736 6.523 4.013 1.00 0.00 C ATOM 1198 O LEU A 90 4.565 7.704 3.712 1.00 0.00 O ATOM 1199 CB LEU A 90 4.108 4.584 2.557 1.00 0.00 C ATOM 1200 CG LEU A 90 2.814 5.279 2.129 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.016 4.384 1.194 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.980 5.656 3.345 1.00 0.00 C ATOM 0 H LEU A 90 6.172 3.748 3.620 1.00 0.00 H new ATOM 0 HA LEU A 90 5.594 6.070 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.460 3.967 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.883 3.910 3.384 1.00 0.00 H new ATOM 0 HG LEU A 90 3.075 6.193 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.098 4.893 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.610 4.163 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.767 3.454 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.064 6.149 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.728 4.756 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.550 6.333 3.981 1.00 0.00 H new ATOM 1214 N LEU A 91 4.503 6.047 5.230 1.00 0.00 N ATOM 1215 CA LEU A 91 4.023 6.910 6.304 1.00 0.00 C ATOM 1216 C LEU A 91 5.030 8.014 6.573 1.00 0.00 C ATOM 1217 O LEU A 91 4.671 9.180 6.728 1.00 0.00 O ATOM 1218 CB LEU A 91 3.782 6.116 7.591 1.00 0.00 C ATOM 1219 CG LEU A 91 3.264 4.698 7.387 1.00 0.00 C ATOM 1220 CD1 LEU A 91 3.168 3.965 8.716 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.914 4.715 6.686 1.00 0.00 C ATOM 0 H LEU A 91 4.638 5.072 5.498 1.00 0.00 H new ATOM 0 HA LEU A 91 3.076 7.344 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.716 6.068 8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.068 6.662 8.208 1.00 0.00 H new ATOM 0 HG LEU A 91 3.972 4.165 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.796 2.954 8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.155 3.917 9.177 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.484 4.498 9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.562 3.692 6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.196 5.268 7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.015 5.196 5.713 1.00 0.00 H new ATOM 1233 N SER A 92 6.299 7.627 6.619 1.00 0.00 N ATOM 1234 CA SER A 92 7.380 8.574 6.863 1.00 0.00 C ATOM 1235 C SER A 92 7.346 9.714 5.849 1.00 0.00 C ATOM 1236 O SER A 92 7.571 10.873 6.196 1.00 0.00 O ATOM 1237 CB SER A 92 8.733 7.862 6.801 1.00 0.00 C ATOM 1238 OG SER A 92 9.621 8.368 7.784 1.00 0.00 O ATOM 0 H SER A 92 6.605 6.663 6.490 1.00 0.00 H new ATOM 0 HA SER A 92 7.243 8.994 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.591 6.792 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.170 7.990 5.811 1.00 0.00 H new ATOM 0 HG SER A 92 10.478 7.896 7.725 1.00 0.00 H new ATOM 1244 N ALA A 93 7.061 9.377 4.594 1.00 0.00 N ATOM 1245 CA ALA A 93 6.997 10.376 3.535 1.00 0.00 C ATOM 1246 C ALA A 93 5.834 11.337 3.757 1.00 0.00 C ATOM 1247 O ALA A 93 6.018 12.556 3.786 1.00 0.00 O ATOM 1248 CB ALA A 93 6.872 9.700 2.178 1.00 0.00 C ATOM 0 H ALA A 93 6.872 8.423 4.288 1.00 0.00 H new ATOM 0 HA ALA A 93 7.922 10.953 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.825 10.458 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.737 9.059 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.964 9.098 2.154 1.00 0.00 H new ATOM 1254 N LEU A 94 4.637 10.783 3.922 1.00 0.00 N ATOM 1255 CA LEU A 94 3.447 11.593 4.148 1.00 0.00 C ATOM 1256 C LEU A 94 3.595 12.428 5.415 1.00 0.00 C ATOM 1257 O LEU A 94 3.166 13.580 5.464 1.00 0.00 O ATOM 1258 CB LEU A 94 2.208 10.701 4.252 1.00 0.00 C ATOM 1259 CG LEU A 94 1.954 9.799 3.043 1.00 0.00 C ATOM 1260 CD1 LEU A 94 0.815 8.833 3.329 1.00 0.00 C ATOM 1261 CD2 LEU A 94 1.649 10.637 1.811 1.00 0.00 C ATOM 0 H LEU A 94 4.466 9.778 3.903 1.00 0.00 H new ATOM 0 HA LEU A 94 3.328 12.267 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.304 10.075 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.334 11.335 4.402 1.00 0.00 H new ATOM 0 HG LEU A 94 2.855 9.218 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.648 8.199 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.072 8.211 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.093 9.395 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.471 9.980 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.762 11.243 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.496 11.289 1.596 1.00 0.00 H new ATOM 1273 N GLN A 95 4.208 11.839 6.436 1.00 0.00 N ATOM 1274 CA GLN A 95 4.416 12.528 7.706 1.00 0.00 C ATOM 1275 C GLN A 95 5.183 13.828 7.500 1.00 0.00 C ATOM 1276 O GLN A 95 4.733 14.897 7.908 1.00 0.00 O ATOM 1277 CB GLN A 95 5.167 11.622 8.686 1.00 0.00 C ATOM 1278 CG GLN A 95 4.363 11.272 9.930 1.00 0.00 C ATOM 1279 CD GLN A 95 3.778 9.876 9.871 1.00 0.00 C ATOM 1280 OE1 GLN A 95 4.269 8.955 10.526 1.00 0.00 O ATOM 1281 NE2 GLN A 95 2.722 9.710 9.083 1.00 0.00 N ATOM 0 H GLN A 95 4.570 10.886 6.410 1.00 0.00 H new ATOM 0 HA GLN A 95 3.439 12.769 8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.448 10.702 8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.092 12.114 8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.003 11.357 10.808 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.557 11.995 10.052 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.348 10.501 8.558 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.285 8.792 9.003 1.00 0.00 H new ATOM 1290 N LYS A 96 6.344 13.733 6.854 1.00 0.00 N ATOM 1291 CA LYS A 96 7.163 14.909 6.589 1.00 0.00 C ATOM 1292 C LYS A 96 6.361 15.949 5.818 1.00 0.00 C ATOM 1293 O LYS A 96 6.471 17.149 6.069 1.00 0.00 O ATOM 1294 CB LYS A 96 8.411 14.521 5.795 1.00 0.00 C ATOM 1295 CG LYS A 96 9.269 13.480 6.493 1.00 0.00 C ATOM 1296 CD LYS A 96 10.317 12.901 5.556 1.00 0.00 C ATOM 1297 CE LYS A 96 11.588 13.735 5.559 1.00 0.00 C ATOM 1298 NZ LYS A 96 11.505 14.876 4.605 1.00 0.00 N ATOM 0 H LYS A 96 6.735 12.857 6.507 1.00 0.00 H new ATOM 0 HA LYS A 96 7.471 15.336 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.108 14.138 4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.010 15.414 5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.760 13.931 7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.635 12.678 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.550 11.879 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.915 12.852 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.771 14.115 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.437 13.104 5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.396 14.949 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.718 14.719 3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.343 15.758 5.132 1.00 0.00 H new ATOM 1312 N LYS A 97 5.546 15.473 4.885 1.00 0.00 N ATOM 1313 CA LYS A 97 4.711 16.351 4.078 1.00 0.00 C ATOM 1314 C LYS A 97 3.693 17.080 4.945 1.00 0.00 C ATOM 1315 O LYS A 97 3.574 18.304 4.889 1.00 0.00 O ATOM 1316 CB LYS A 97 3.992 15.552 2.993 1.00 0.00 C ATOM 1317 CG LYS A 97 3.638 16.379 1.772 1.00 0.00 C ATOM 1318 CD LYS A 97 2.318 15.939 1.162 1.00 0.00 C ATOM 1319 CE LYS A 97 2.533 15.123 -0.103 1.00 0.00 C ATOM 1320 NZ LYS A 97 3.231 15.908 -1.160 1.00 0.00 N ATOM 0 H LYS A 97 5.446 14.481 4.669 1.00 0.00 H new ATOM 0 HA LYS A 97 5.357 17.091 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.624 14.718 2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.080 15.125 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.578 17.431 2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.431 16.290 1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.760 15.347 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.712 16.815 0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.117 14.234 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.570 14.780 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.796 15.267 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.528 16.397 -1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.857 16.609 -0.715 1.00 0.00 H new