USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 323 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 138 TYR OH : rot 162:sc= 0.061 USER MOD Set 1.2: A 142 LYS NZ :NH3+ 161:sc= 0.0553 (180deg=-0.108) USER MOD Single : A 132 MET CE :methyl 176:sc= 0 (180deg=-0.0268) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN :FLIP amide:sc= -0.535 F(o=-1.4,f=-0.54) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.155 3.123 -5.078 1.00 0.00 N ATOM 82 CA ILE A 130 -5.971 3.309 -3.886 1.00 0.00 C ATOM 83 C ILE A 130 -5.162 3.000 -2.635 1.00 0.00 C ATOM 84 O ILE A 130 -4.786 1.853 -2.391 1.00 0.00 O ATOM 85 CB ILE A 130 -7.230 2.420 -3.919 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.008 2.670 -5.207 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.109 2.690 -2.705 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.671 1.700 -6.318 1.00 0.00 C ATOM 0 HA ILE A 130 -6.287 4.352 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.922 1.375 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.075 2.609 -4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.809 3.685 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -8.992 2.053 -2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.549 2.475 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.416 3.736 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.262 1.939 -7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.611 1.777 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.897 0.684 -5.995 1.00 0.00 H new ATOM 100 N ALA A 131 -4.888 4.034 -1.851 1.00 0.00 N ATOM 101 CA ALA A 131 -4.111 3.879 -0.628 1.00 0.00 C ATOM 102 C ALA A 131 -4.282 5.078 0.295 1.00 0.00 C ATOM 103 O ALA A 131 -4.584 6.184 -0.153 1.00 0.00 O ATOM 104 CB ALA A 131 -2.641 3.683 -0.966 1.00 0.00 C ATOM 0 H ALA A 131 -5.192 4.989 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.481 2.998 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.068 3.568 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.525 2.790 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.275 4.551 -1.515 1.00 0.00 H new ATOM 110 N MET A 132 -4.080 4.851 1.589 1.00 0.00 N ATOM 111 CA MET A 132 -4.204 5.911 2.580 1.00 0.00 C ATOM 112 C MET A 132 -3.121 6.969 2.375 1.00 0.00 C ATOM 113 O MET A 132 -2.100 6.706 1.739 1.00 0.00 O ATOM 114 CB MET A 132 -4.108 5.329 3.992 1.00 0.00 C ATOM 115 CG MET A 132 -5.450 5.219 4.695 1.00 0.00 C ATOM 116 SD MET A 132 -5.285 5.010 6.478 1.00 0.00 S ATOM 117 CE MET A 132 -5.469 6.702 7.036 1.00 0.00 C ATOM 0 H MET A 132 -3.829 3.941 1.975 1.00 0.00 H new ATOM 0 HA MET A 132 -5.178 6.384 2.457 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.653 4.340 3.939 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.444 5.954 4.589 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.037 6.114 4.491 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.003 4.375 4.284 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.461 6.729 8.126 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.645 7.303 6.653 1.00 0.00 H new ATOM 0 HE3 MET A 132 -6.413 7.105 6.670 1.00 0.00 H new ATOM 127 N PRO A 133 -3.329 8.182 2.912 1.00 0.00 N ATOM 128 CA PRO A 133 -2.361 9.277 2.785 1.00 0.00 C ATOM 129 C PRO A 133 -1.007 8.922 3.391 1.00 0.00 C ATOM 130 O PRO A 133 0.025 9.457 2.984 1.00 0.00 O ATOM 131 CB PRO A 133 -3.009 10.434 3.557 1.00 0.00 C ATOM 132 CG PRO A 133 -4.031 9.793 4.434 1.00 0.00 C ATOM 133 CD PRO A 133 -4.513 8.583 3.688 1.00 0.00 C ATOM 0 HA PRO A 133 -2.155 9.515 1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.270 10.978 4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.467 11.153 2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.600 9.513 5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.853 10.478 4.640 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.838 7.794 4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.359 8.817 3.042 1.00 0.00 H new ATOM 141 N SER A 134 -1.019 8.018 4.364 1.00 0.00 N ATOM 142 CA SER A 134 0.208 7.592 5.026 1.00 0.00 C ATOM 143 C SER A 134 0.815 6.378 4.328 1.00 0.00 C ATOM 144 O SER A 134 2.033 6.208 4.305 1.00 0.00 O ATOM 145 CB SER A 134 -0.068 7.263 6.495 1.00 0.00 C ATOM 146 OG SER A 134 1.126 6.908 7.171 1.00 0.00 O ATOM 0 H SER A 134 -1.865 7.566 4.712 1.00 0.00 H new ATOM 0 HA SER A 134 0.922 8.414 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.524 8.124 6.984 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.783 6.443 6.559 1.00 0.00 H new ATOM 0 HG SER A 134 0.923 6.704 8.108 1.00 0.00 H new ATOM 152 N VAL A 135 -0.044 5.535 3.762 1.00 0.00 N ATOM 153 CA VAL A 135 0.411 4.336 3.068 1.00 0.00 C ATOM 154 C VAL A 135 1.113 4.681 1.769 1.00 0.00 C ATOM 155 O VAL A 135 2.185 4.158 1.474 1.00 0.00 O ATOM 156 CB VAL A 135 -0.751 3.383 2.760 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.237 2.103 2.119 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.529 3.084 4.026 1.00 0.00 C ATOM 0 H VAL A 135 -1.056 5.660 3.771 1.00 0.00 H new ATOM 0 HA VAL A 135 1.112 3.841 3.740 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.423 3.865 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.076 1.440 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.279 2.343 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.455 1.608 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.352 2.407 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.869 2.618 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.927 4.012 4.436 1.00 0.00 H new ATOM 168 N ARG A 136 0.505 5.563 0.993 1.00 0.00 N ATOM 169 CA ARG A 136 1.084 5.973 -0.276 1.00 0.00 C ATOM 170 C ARG A 136 2.503 6.478 -0.054 1.00 0.00 C ATOM 171 O ARG A 136 3.374 6.316 -0.906 1.00 0.00 O ATOM 172 CB ARG A 136 0.234 7.070 -0.922 1.00 0.00 C ATOM 173 CG ARG A 136 -0.708 6.559 -2.000 1.00 0.00 C ATOM 174 CD ARG A 136 -1.314 7.704 -2.797 1.00 0.00 C ATOM 175 NE ARG A 136 -1.406 7.392 -4.221 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.563 8.310 -5.172 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.645 9.597 -4.855 1.00 0.00 N ATOM 178 NH2 ARG A 136 -1.639 7.942 -6.444 1.00 0.00 N ATOM 0 H ARG A 136 -0.385 6.007 1.218 1.00 0.00 H new ATOM 0 HA ARG A 136 1.108 5.113 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.350 7.568 -0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.894 7.821 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.167 5.893 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.504 5.972 -1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.308 7.928 -2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -0.709 8.600 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.346 6.414 -4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.588 9.886 -3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.765 10.296 -5.588 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.577 6.955 -6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.759 8.646 -7.172 1.00 0.00 H new ATOM 192 N LYS A 137 2.726 7.072 1.114 1.00 0.00 N ATOM 193 CA LYS A 137 4.035 7.588 1.478 1.00 0.00 C ATOM 194 C LYS A 137 4.953 6.454 1.907 1.00 0.00 C ATOM 195 O LYS A 137 6.141 6.443 1.587 1.00 0.00 O ATOM 196 CB LYS A 137 3.908 8.615 2.606 1.00 0.00 C ATOM 197 CG LYS A 137 5.239 9.206 3.044 1.00 0.00 C ATOM 198 CD LYS A 137 5.416 9.131 4.551 1.00 0.00 C ATOM 199 CE LYS A 137 6.104 10.373 5.094 1.00 0.00 C ATOM 200 NZ LYS A 137 6.666 10.147 6.455 1.00 0.00 N ATOM 0 H LYS A 137 2.009 7.207 1.827 1.00 0.00 H new ATOM 0 HA LYS A 137 4.467 8.077 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.252 9.422 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.430 8.143 3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.053 8.672 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.300 10.245 2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.442 9.016 5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 137 6.002 8.248 4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.904 10.671 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.391 11.197 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.126 11.017 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 5.900 9.888 7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.365 9.378 6.419 1.00 0.00 H new ATOM 214 N TYR A 138 4.390 5.503 2.649 1.00 0.00 N ATOM 215 CA TYR A 138 5.158 4.370 3.137 1.00 0.00 C ATOM 216 C TYR A 138 5.626 3.490 1.986 1.00 0.00 C ATOM 217 O TYR A 138 6.804 3.144 1.898 1.00 0.00 O ATOM 218 CB TYR A 138 4.305 3.551 4.097 1.00 0.00 C ATOM 219 CG TYR A 138 4.999 2.305 4.584 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.200 2.384 5.275 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.465 1.052 4.334 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.848 1.244 5.707 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.102 -0.090 4.763 1.00 0.00 C ATOM 224 CZ TYR A 138 6.295 0.008 5.448 1.00 0.00 C ATOM 225 OH TYR A 138 6.935 -1.133 5.876 1.00 0.00 O ATOM 0 H TYR A 138 3.407 5.498 2.923 1.00 0.00 H new ATOM 0 HA TYR A 138 6.038 4.749 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.036 4.169 4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.375 3.272 3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.634 3.352 5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.534 0.970 3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.782 1.320 6.244 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.669 -1.059 4.564 1.00 0.00 H new ATOM 0 HH TYR A 138 6.303 -1.882 5.878 1.00 0.00 H new ATOM 235 N ALA A 139 4.709 3.158 1.087 1.00 0.00 N ATOM 236 CA ALA A 139 5.048 2.354 -0.072 1.00 0.00 C ATOM 237 C ALA A 139 5.979 3.152 -0.961 1.00 0.00 C ATOM 238 O ALA A 139 7.010 2.664 -1.409 1.00 0.00 O ATOM 239 CB ALA A 139 3.795 1.953 -0.838 1.00 0.00 C ATOM 0 H ALA A 139 3.728 3.434 1.141 1.00 0.00 H new ATOM 0 HA ALA A 139 5.543 1.439 0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.074 1.351 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.141 1.372 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.271 2.848 -1.173 1.00 0.00 H new ATOM 245 N ARG A 140 5.615 4.406 -1.185 1.00 0.00 N ATOM 246 CA ARG A 140 6.421 5.300 -1.999 1.00 0.00 C ATOM 247 C ARG A 140 7.851 5.358 -1.466 1.00 0.00 C ATOM 248 O ARG A 140 8.802 5.530 -2.227 1.00 0.00 O ATOM 249 CB ARG A 140 5.802 6.700 -2.009 1.00 0.00 C ATOM 250 CG ARG A 140 6.599 7.718 -2.803 1.00 0.00 C ATOM 251 CD ARG A 140 6.239 7.665 -4.278 1.00 0.00 C ATOM 252 NE ARG A 140 5.080 8.500 -4.588 1.00 0.00 N ATOM 253 CZ ARG A 140 5.130 9.826 -4.699 1.00 0.00 C ATOM 254 NH1 ARG A 140 6.277 10.472 -4.529 1.00 0.00 N ATOM 255 NH2 ARG A 140 4.028 10.508 -4.981 1.00 0.00 N ATOM 0 H ARG A 140 4.764 4.827 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 140 6.447 4.919 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.795 6.639 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.704 7.051 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.407 8.718 -2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.665 7.527 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.092 7.994 -4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.030 6.634 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 140 4.180 8.040 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 140 7.128 9.953 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 140 6.308 11.488 -4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 140 3.144 10.017 -5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 140 4.065 11.524 -5.066 1.00 0.00 H new ATOM 269 N GLU A 141 7.991 5.210 -0.151 1.00 0.00 N ATOM 270 CA GLU A 141 9.295 5.239 0.492 1.00 0.00 C ATOM 271 C GLU A 141 9.961 3.872 0.444 1.00 0.00 C ATOM 272 O GLU A 141 11.174 3.765 0.267 1.00 0.00 O ATOM 273 CB GLU A 141 9.152 5.696 1.943 1.00 0.00 C ATOM 274 CG GLU A 141 8.931 7.191 2.095 1.00 0.00 C ATOM 275 CD GLU A 141 10.170 8.000 1.766 1.00 0.00 C ATOM 276 OE1 GLU A 141 10.402 8.272 0.569 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.910 8.362 2.705 1.00 0.00 O ATOM 0 H GLU A 141 7.211 5.068 0.490 1.00 0.00 H new ATOM 0 HA GLU A 141 9.924 5.945 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.317 5.166 2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.049 5.413 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.115 7.502 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.622 7.407 3.118 1.00 0.00 H new ATOM 284 N LYS A 142 9.158 2.832 0.619 1.00 0.00 N ATOM 285 CA LYS A 142 9.658 1.466 0.614 1.00 0.00 C ATOM 286 C LYS A 142 9.776 0.905 -0.802 1.00 0.00 C ATOM 287 O LYS A 142 9.684 -0.305 -1.000 1.00 0.00 O ATOM 288 CB LYS A 142 8.718 0.588 1.440 1.00 0.00 C ATOM 289 CG LYS A 142 8.701 0.912 2.931 1.00 0.00 C ATOM 290 CD LYS A 142 10.077 1.294 3.454 1.00 0.00 C ATOM 291 CE LYS A 142 10.027 1.673 4.925 1.00 0.00 C ATOM 292 NZ LYS A 142 10.026 0.475 5.808 1.00 0.00 N ATOM 0 H LYS A 142 8.152 2.910 0.767 1.00 0.00 H new ATOM 0 HA LYS A 142 10.658 1.469 1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.706 0.690 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.007 -0.455 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 142 8.005 1.730 3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.331 0.049 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.765 0.460 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.469 2.130 2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.884 2.301 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.133 2.266 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.312 0.752 6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 9.071 0.065 5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.695 -0.230 5.437 1.00 0.00 H new ATOM 306 N GLY A 143 9.971 1.777 -1.790 1.00 0.00 N ATOM 307 CA GLY A 143 10.084 1.314 -3.167 1.00 0.00 C ATOM 308 C GLY A 143 8.889 0.475 -3.594 1.00 0.00 C ATOM 309 O GLY A 143 8.958 -0.277 -4.565 1.00 0.00 O ATOM 0 H GLY A 143 10.052 2.786 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.177 2.174 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.995 0.726 -3.277 1.00 0.00 H new ATOM 313 N VAL A 144 7.794 0.619 -2.857 1.00 0.00 N ATOM 314 CA VAL A 144 6.559 -0.104 -3.124 1.00 0.00 C ATOM 315 C VAL A 144 5.528 0.815 -3.756 1.00 0.00 C ATOM 316 O VAL A 144 5.333 1.946 -3.312 1.00 0.00 O ATOM 317 CB VAL A 144 5.962 -0.665 -1.820 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.693 -1.454 -2.100 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.981 -1.518 -1.082 1.00 0.00 C ATOM 0 H VAL A 144 7.739 1.244 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 144 6.801 -0.921 -3.804 1.00 0.00 H new ATOM 0 HB VAL A 144 5.699 0.176 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.290 -1.840 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.956 -0.803 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.921 -2.286 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.537 -1.903 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.285 -2.351 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.853 -0.912 -0.836 1.00 0.00 H new ATOM 329 N ASP A 145 4.847 0.314 -4.771 1.00 0.00 N ATOM 330 CA ASP A 145 3.814 1.075 -5.435 1.00 0.00 C ATOM 331 C ASP A 145 2.484 0.376 -5.229 1.00 0.00 C ATOM 332 O ASP A 145 2.355 -0.815 -5.493 1.00 0.00 O ATOM 333 CB ASP A 145 4.120 1.228 -6.923 1.00 0.00 C ATOM 334 CG ASP A 145 3.286 2.315 -7.568 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.061 2.347 -7.323 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.855 3.136 -8.317 1.00 0.00 O ATOM 0 H ASP A 145 4.995 -0.621 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 145 3.771 2.077 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.177 1.458 -7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.935 0.281 -7.430 1.00 0.00 H new ATOM 341 N ILE A 146 1.507 1.111 -4.729 1.00 0.00 N ATOM 342 CA ILE A 146 0.188 0.555 -4.456 1.00 0.00 C ATOM 343 C ILE A 146 -0.323 -0.311 -5.612 1.00 0.00 C ATOM 344 O ILE A 146 -1.122 -1.221 -5.400 1.00 0.00 O ATOM 345 CB ILE A 146 -0.837 1.670 -4.168 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.316 2.612 -3.077 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.177 1.076 -3.760 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.125 1.939 -1.735 1.00 0.00 C ATOM 0 H ILE A 146 1.600 2.101 -4.502 1.00 0.00 H new ATOM 0 HA ILE A 146 0.297 -0.076 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.980 2.245 -5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.635 3.037 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -1.013 3.442 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.886 1.880 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.557 0.448 -4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.049 0.474 -2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.245 2.666 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.078 1.538 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.595 1.127 -1.834 1.00 0.00 H new ATOM 360 N ARG A 147 0.141 -0.039 -6.832 1.00 0.00 N ATOM 361 CA ARG A 147 -0.300 -0.820 -7.987 1.00 0.00 C ATOM 362 C ARG A 147 0.162 -2.266 -7.863 1.00 0.00 C ATOM 363 O ARG A 147 -0.549 -3.194 -8.249 1.00 0.00 O ATOM 364 CB ARG A 147 0.201 -0.204 -9.297 1.00 0.00 C ATOM 365 CG ARG A 147 1.710 -0.063 -9.377 1.00 0.00 C ATOM 366 CD ARG A 147 2.205 -0.181 -10.812 1.00 0.00 C ATOM 367 NE ARG A 147 3.035 0.957 -11.199 1.00 0.00 N ATOM 368 CZ ARG A 147 2.552 2.165 -11.478 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.247 2.397 -11.416 1.00 0.00 N ATOM 370 NH2 ARG A 147 3.377 3.146 -11.822 1.00 0.00 N ATOM 0 H ARG A 147 0.809 0.702 -7.044 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.390 -0.805 -8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.141 -0.819 -10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.252 0.780 -9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 147 2.009 0.901 -8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 147 2.181 -0.831 -8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 147 2.777 -1.102 -10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.351 -0.253 -11.486 1.00 0.00 H new ATOM 0 HE ARG A 147 4.044 0.817 -11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.608 1.647 -11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.883 3.325 -11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 147 4.381 2.974 -11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 147 3.007 4.072 -12.036 1.00 0.00 H new ATOM 384 N LEU A 148 1.346 -2.447 -7.295 1.00 0.00 N ATOM 385 CA LEU A 148 1.906 -3.771 -7.083 1.00 0.00 C ATOM 386 C LEU A 148 1.377 -4.371 -5.781 1.00 0.00 C ATOM 387 O LEU A 148 1.621 -5.539 -5.483 1.00 0.00 O ATOM 388 CB LEU A 148 3.435 -3.701 -7.025 1.00 0.00 C ATOM 389 CG LEU A 148 4.073 -2.524 -7.766 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.567 -2.484 -7.514 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.787 -2.617 -9.257 1.00 0.00 C ATOM 0 H LEU A 148 1.941 -1.685 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 148 1.607 -4.404 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.739 -3.656 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.839 -4.627 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 148 3.636 -1.600 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.004 -1.641 -8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.753 -2.372 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 148 6.020 -3.411 -7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.248 -1.772 -9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.198 -3.547 -9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.710 -2.598 -9.423 1.00 0.00 H new ATOM 403 N VAL A 149 0.663 -3.558 -5.000 1.00 0.00 N ATOM 404 CA VAL A 149 0.122 -4.006 -3.724 1.00 0.00 C ATOM 405 C VAL A 149 -1.403 -4.019 -3.737 1.00 0.00 C ATOM 406 O VAL A 149 -2.042 -2.988 -3.942 1.00 0.00 O ATOM 407 CB VAL A 149 0.602 -3.104 -2.567 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.514 -3.840 -1.241 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.023 -2.610 -2.810 1.00 0.00 C ATOM 0 H VAL A 149 0.448 -2.588 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 149 0.487 -5.021 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.055 -2.235 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.857 -3.187 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.520 -4.132 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 149 1.141 -4.731 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.335 -1.977 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.696 -3.463 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.055 -2.036 -3.736 1.00 0.00 H new ATOM 419 N GLN A 150 -1.981 -5.193 -3.504 1.00 0.00 N ATOM 420 CA GLN A 150 -3.432 -5.338 -3.479 1.00 0.00 C ATOM 421 C GLN A 150 -3.985 -4.918 -2.121 1.00 0.00 C ATOM 422 O GLN A 150 -3.840 -5.637 -1.132 1.00 0.00 O ATOM 423 CB GLN A 150 -3.827 -6.785 -3.783 1.00 0.00 C ATOM 424 CG GLN A 150 -4.880 -6.911 -4.872 1.00 0.00 C ATOM 425 CD GLN A 150 -5.027 -8.333 -5.378 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.599 -9.188 -4.703 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.508 -8.592 -6.573 1.00 0.00 N ATOM 0 H GLN A 150 -1.467 -6.057 -3.330 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.857 -4.690 -4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.938 -7.340 -4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.202 -7.250 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.839 -6.565 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.617 -6.258 -5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -4.042 -7.852 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -4.575 -9.531 -6.966 1.00 0.00 H new ATOM 436 N GLY A 151 -4.609 -3.745 -2.075 1.00 0.00 N ATOM 437 CA GLY A 151 -5.158 -3.251 -0.829 1.00 0.00 C ATOM 438 C GLY A 151 -6.529 -3.820 -0.519 1.00 0.00 C ATOM 439 O GLY A 151 -7.356 -3.990 -1.414 1.00 0.00 O ATOM 0 H GLY A 151 -4.743 -3.130 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.476 -3.497 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.223 -2.164 -0.873 1.00 0.00 H new ATOM 443 N THR A 152 -6.766 -4.111 0.755 1.00 0.00 N ATOM 444 CA THR A 152 -8.044 -4.659 1.194 1.00 0.00 C ATOM 445 C THR A 152 -8.730 -3.713 2.178 1.00 0.00 C ATOM 446 O THR A 152 -9.525 -4.142 3.014 1.00 0.00 O ATOM 447 CB THR A 152 -7.841 -6.031 1.842 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.508 -6.176 2.299 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.133 -7.183 0.906 1.00 0.00 C ATOM 0 H THR A 152 -6.087 -3.976 1.504 1.00 0.00 H new ATOM 0 HA THR A 152 -8.684 -4.772 0.319 1.00 0.00 H new ATOM 0 HB THR A 152 -8.549 -6.068 2.670 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.398 -7.058 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.970 -8.126 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.169 -7.127 0.573 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.471 -7.127 0.042 1.00 0.00 H new ATOM 457 N GLY A 153 -8.413 -2.426 2.077 1.00 0.00 N ATOM 458 CA GLY A 153 -9.001 -1.444 2.969 1.00 0.00 C ATOM 459 C GLY A 153 -10.301 -0.871 2.439 1.00 0.00 C ATOM 460 O GLY A 153 -10.308 -0.134 1.454 1.00 0.00 O ATOM 0 H GLY A 153 -7.759 -2.046 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.182 -1.905 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.290 -0.633 3.128 1.00 0.00 H new ATOM 464 N LYS A 154 -11.403 -1.206 3.105 1.00 0.00 N ATOM 465 CA LYS A 154 -12.722 -0.723 2.714 1.00 0.00 C ATOM 466 C LYS A 154 -13.028 -1.051 1.250 1.00 0.00 C ATOM 467 O LYS A 154 -13.655 -2.069 0.955 1.00 0.00 O ATOM 468 CB LYS A 154 -12.827 0.785 2.960 1.00 0.00 C ATOM 469 CG LYS A 154 -14.169 1.370 2.554 1.00 0.00 C ATOM 470 CD LYS A 154 -14.865 2.044 3.726 1.00 0.00 C ATOM 471 CE LYS A 154 -14.409 3.484 3.892 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.415 4.306 4.621 1.00 0.00 N ATOM 0 H LYS A 154 -11.407 -1.815 3.924 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.463 -1.235 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.656 0.986 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.036 1.292 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.023 2.094 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.806 0.579 2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.944 2.018 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.659 1.488 4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.463 3.505 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.225 3.922 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.066 5.281 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.311 4.308 4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -15.572 3.904 5.567 1.00 0.00 H new ATOM 486 N ASN A 155 -12.591 -0.187 0.338 1.00 0.00 N ATOM 487 CA ASN A 155 -12.827 -0.395 -1.087 1.00 0.00 C ATOM 488 C ASN A 155 -11.589 -0.964 -1.770 1.00 0.00 C ATOM 489 O ASN A 155 -11.281 -0.618 -2.910 1.00 0.00 O ATOM 490 CB ASN A 155 -13.232 0.921 -1.754 1.00 0.00 C ATOM 491 CG ASN A 155 -14.465 1.536 -1.122 1.00 0.00 C ATOM 492 OD1 ASN A 155 -14.291 2.686 -0.482 1.00 0.00 O flip ATOM 493 ND2 ASN A 155 -15.562 0.983 -1.208 1.00 0.00 N flip ATOM 0 H ASN A 155 -12.072 0.663 0.560 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.638 -1.115 -1.193 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.404 1.627 -1.690 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.420 0.745 -2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.650 0.099 -1.710 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -16.383 1.409 -0.777 1.00 0.00 H new ATOM 500 N GLY A 156 -10.880 -1.840 -1.065 1.00 0.00 N ATOM 501 CA GLY A 156 -9.683 -2.443 -1.622 1.00 0.00 C ATOM 502 C GLY A 156 -8.483 -1.518 -1.561 1.00 0.00 C ATOM 503 O GLY A 156 -7.560 -1.636 -2.366 1.00 0.00 O ATOM 0 H GLY A 156 -11.113 -2.143 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.457 -3.362 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.870 -2.722 -2.659 1.00 0.00 H new ATOM 507 N ARG A 157 -8.496 -0.595 -0.605 1.00 0.00 N ATOM 508 CA ARG A 157 -7.400 0.354 -0.444 1.00 0.00 C ATOM 509 C ARG A 157 -6.213 -0.301 0.254 1.00 0.00 C ATOM 510 O ARG A 157 -6.385 -1.111 1.165 1.00 0.00 O ATOM 511 CB ARG A 157 -7.872 1.575 0.349 1.00 0.00 C ATOM 512 CG ARG A 157 -6.788 2.617 0.570 1.00 0.00 C ATOM 513 CD ARG A 157 -7.331 3.844 1.283 1.00 0.00 C ATOM 514 NE ARG A 157 -7.864 4.832 0.347 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.056 6.113 0.651 1.00 0.00 C ATOM 516 NH1 ARG A 157 -7.761 6.567 1.863 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.543 6.944 -0.260 1.00 0.00 N ATOM 0 H ARG A 157 -9.253 -0.484 0.070 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.078 0.677 -1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.707 2.038 -0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.249 1.245 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.979 2.183 1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.364 2.911 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.116 3.542 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.538 4.298 1.877 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.103 4.521 -0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.385 5.933 2.568 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -7.911 7.550 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.770 6.601 -1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.690 7.926 -0.027 1.00 0.00 H new ATOM 531 N VAL A 158 -5.009 0.048 -0.186 1.00 0.00 N ATOM 532 CA VAL A 158 -3.792 -0.513 0.389 1.00 0.00 C ATOM 533 C VAL A 158 -3.490 0.098 1.751 1.00 0.00 C ATOM 534 O VAL A 158 -3.522 1.317 1.925 1.00 0.00 O ATOM 535 CB VAL A 158 -2.576 -0.310 -0.545 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.263 -0.604 0.175 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.701 -1.186 -1.778 1.00 0.00 C ATOM 0 H VAL A 158 -4.850 0.717 -0.939 1.00 0.00 H new ATOM 0 HA VAL A 158 -3.967 -1.582 0.510 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.567 0.736 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.430 -0.451 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.158 0.066 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.262 -1.637 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.837 -1.030 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.746 -2.233 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.610 -0.925 -2.319 1.00 0.00 H new ATOM 547 N LEU A 159 -3.180 -0.767 2.705 1.00 0.00 N ATOM 548 CA LEU A 159 -2.847 -0.341 4.055 1.00 0.00 C ATOM 549 C LEU A 159 -1.353 -0.510 4.297 1.00 0.00 C ATOM 550 O LEU A 159 -0.675 -1.210 3.547 1.00 0.00 O ATOM 551 CB LEU A 159 -3.634 -1.168 5.074 1.00 0.00 C ATOM 552 CG LEU A 159 -5.147 -0.918 5.101 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.744 -1.396 6.414 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.462 0.555 4.879 1.00 0.00 C ATOM 0 H LEU A 159 -3.152 -1.777 2.566 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.112 0.710 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.462 -2.225 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.232 -0.966 6.067 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.596 -1.487 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.818 -1.210 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.561 -2.464 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.282 -0.857 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.542 0.704 4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.996 1.149 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.074 0.868 3.910 1.00 0.00 H new ATOM 566 N LYS A 160 -0.833 0.116 5.347 1.00 0.00 N ATOM 567 CA LYS A 160 0.585 -0.008 5.654 1.00 0.00 C ATOM 568 C LYS A 160 0.950 -1.479 5.800 1.00 0.00 C ATOM 569 O LYS A 160 2.058 -1.895 5.457 1.00 0.00 O ATOM 570 CB LYS A 160 0.943 0.756 6.928 1.00 0.00 C ATOM 571 CG LYS A 160 2.441 0.868 7.166 1.00 0.00 C ATOM 572 CD LYS A 160 2.902 2.318 7.165 1.00 0.00 C ATOM 573 CE LYS A 160 4.275 2.467 7.799 1.00 0.00 C ATOM 574 NZ LYS A 160 4.187 2.948 9.206 1.00 0.00 N ATOM 0 H LYS A 160 -1.363 0.705 5.990 1.00 0.00 H new ATOM 0 HA LYS A 160 1.156 0.427 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.516 1.757 6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.483 0.259 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.694 0.406 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.975 0.315 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.931 2.691 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.181 2.930 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.792 1.508 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.872 3.166 7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.144 3.037 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.716 3.875 9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.639 2.269 9.772 1.00 0.00 H new ATOM 588 N GLU A 161 -0.005 -2.268 6.285 1.00 0.00 N ATOM 589 CA GLU A 161 0.200 -3.698 6.445 1.00 0.00 C ATOM 590 C GLU A 161 0.386 -4.334 5.076 1.00 0.00 C ATOM 591 O GLU A 161 1.204 -5.236 4.899 1.00 0.00 O ATOM 592 CB GLU A 161 -0.987 -4.335 7.168 1.00 0.00 C ATOM 593 CG GLU A 161 -1.178 -3.828 8.588 1.00 0.00 C ATOM 594 CD GLU A 161 -1.582 -4.926 9.551 1.00 0.00 C ATOM 595 OE1 GLU A 161 -2.639 -5.552 9.329 1.00 0.00 O ATOM 596 OE2 GLU A 161 -0.841 -5.161 10.529 1.00 0.00 O ATOM 0 H GLU A 161 -0.926 -1.938 6.573 1.00 0.00 H new ATOM 0 HA GLU A 161 1.092 -3.865 7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.895 -4.142 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.849 -5.416 7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.251 -3.370 8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.940 -3.048 8.592 1.00 0.00 H new ATOM 603 N ASP A 162 -0.369 -3.832 4.099 1.00 0.00 N ATOM 604 CA ASP A 162 -0.275 -4.328 2.731 1.00 0.00 C ATOM 605 C ASP A 162 1.122 -4.068 2.184 1.00 0.00 C ATOM 606 O ASP A 162 1.777 -4.967 1.658 1.00 0.00 O ATOM 607 CB ASP A 162 -1.318 -3.646 1.846 1.00 0.00 C ATOM 608 CG ASP A 162 -2.644 -4.383 1.833 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.645 -5.601 1.561 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.681 -3.738 2.097 1.00 0.00 O ATOM 0 H ASP A 162 -1.050 -3.084 4.231 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.466 -5.401 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.477 -2.627 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.935 -3.576 0.828 1.00 0.00 H new ATOM 615 N ILE A 163 1.573 -2.827 2.334 1.00 0.00 N ATOM 616 CA ILE A 163 2.900 -2.423 1.877 1.00 0.00 C ATOM 617 C ILE A 163 3.967 -3.356 2.437 1.00 0.00 C ATOM 618 O ILE A 163 4.777 -3.910 1.694 1.00 0.00 O ATOM 619 CB ILE A 163 3.239 -0.986 2.324 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.107 -0.027 1.967 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.553 -0.525 1.700 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.758 -0.048 0.504 1.00 0.00 C ATOM 0 H ILE A 163 1.036 -2.078 2.771 1.00 0.00 H new ATOM 0 HA ILE A 163 2.887 -2.471 0.788 1.00 0.00 H new ATOM 0 HB ILE A 163 3.356 -0.985 3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.223 -0.285 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.393 0.986 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.775 0.491 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.358 -1.191 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.467 -0.545 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.947 0.655 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.631 0.238 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.443 -1.052 0.219 1.00 0.00 H new ATOM 634 N ASP A 164 3.957 -3.521 3.755 1.00 0.00 N ATOM 635 CA ASP A 164 4.921 -4.383 4.424 1.00 0.00 C ATOM 636 C ASP A 164 4.834 -5.811 3.890 1.00 0.00 C ATOM 637 O ASP A 164 5.849 -6.426 3.561 1.00 0.00 O ATOM 638 CB ASP A 164 4.682 -4.376 5.935 1.00 0.00 C ATOM 639 CG ASP A 164 5.943 -4.678 6.721 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.944 -3.951 6.541 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.931 -5.640 7.516 1.00 0.00 O ATOM 0 H ASP A 164 3.291 -3.068 4.381 1.00 0.00 H new ATOM 0 HA ASP A 164 5.920 -3.997 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.295 -3.402 6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.918 -5.113 6.183 1.00 0.00 H new ATOM 646 N ALA A 165 3.612 -6.331 3.805 1.00 0.00 N ATOM 647 CA ALA A 165 3.388 -7.685 3.309 1.00 0.00 C ATOM 648 C ALA A 165 3.915 -7.839 1.887 1.00 0.00 C ATOM 649 O ALA A 165 4.428 -8.894 1.514 1.00 0.00 O ATOM 650 CB ALA A 165 1.908 -8.029 3.365 1.00 0.00 C ATOM 0 H ALA A 165 2.762 -5.835 4.073 1.00 0.00 H new ATOM 0 HA ALA A 165 3.934 -8.377 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.755 -9.042 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.558 -7.965 4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.348 -7.327 2.748 1.00 0.00 H new ATOM 656 N TRP A 166 3.794 -6.773 1.101 1.00 0.00 N ATOM 657 CA TRP A 166 4.263 -6.775 -0.275 1.00 0.00 C ATOM 658 C TRP A 166 5.759 -7.052 -0.321 1.00 0.00 C ATOM 659 O TRP A 166 6.214 -7.995 -0.968 1.00 0.00 O ATOM 660 CB TRP A 166 3.962 -5.422 -0.911 1.00 0.00 C ATOM 661 CG TRP A 166 4.225 -5.374 -2.381 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.431 -5.853 -3.380 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.368 -4.804 -3.015 1.00 0.00 C ATOM 664 NE1 TRP A 166 4.018 -5.612 -4.601 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.209 -4.971 -4.401 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.508 -4.170 -2.540 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.154 -4.525 -5.319 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.450 -3.724 -3.449 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.268 -3.903 -4.825 1.00 0.00 C ATOM 0 H TRP A 166 3.372 -5.893 1.399 1.00 0.00 H new ATOM 0 HA TRP A 166 3.749 -7.560 -0.830 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.917 -5.171 -0.730 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.564 -4.658 -0.419 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.482 -6.348 -3.235 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.628 -5.870 -5.508 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.657 -4.028 -1.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 6.014 -4.664 -6.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.341 -3.229 -3.091 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.021 -3.543 -5.510 1.00 0.00 H new ATOM 680 N LEU A 167 6.513 -6.217 0.379 1.00 0.00 N ATOM 681 CA LEU A 167 7.963 -6.352 0.440 1.00 0.00 C ATOM 682 C LEU A 167 8.361 -7.679 1.079 1.00 0.00 C ATOM 683 O LEU A 167 9.400 -8.252 0.747 1.00 0.00 O ATOM 684 CB LEU A 167 8.567 -5.189 1.230 1.00 0.00 C ATOM 685 CG LEU A 167 8.245 -3.806 0.671 1.00 0.00 C ATOM 686 CD1 LEU A 167 8.259 -2.759 1.772 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.225 -3.436 -0.430 1.00 0.00 C ATOM 0 H LEU A 167 6.142 -5.433 0.916 1.00 0.00 H new ATOM 0 HA LEU A 167 8.350 -6.332 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.211 -5.242 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.650 -5.311 1.260 1.00 0.00 H new ATOM 0 HG LEU A 167 7.242 -3.836 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 167 8.027 -1.782 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.514 -3.014 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 167 9.246 -2.729 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.981 -2.447 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.238 -3.428 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.160 -4.167 -1.236 1.00 0.00 H new ATOM 699 N ALA A 168 7.530 -8.161 1.996 1.00 0.00 N ATOM 700 CA ALA A 168 7.796 -9.421 2.682 1.00 0.00 C ATOM 701 C ALA A 168 7.525 -10.614 1.770 1.00 0.00 C ATOM 702 O ALA A 168 8.091 -11.691 1.958 1.00 0.00 O ATOM 703 CB ALA A 168 6.958 -9.520 3.946 1.00 0.00 C ATOM 0 H ALA A 168 6.667 -7.699 2.282 1.00 0.00 H new ATOM 0 HA ALA A 168 8.851 -9.440 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.167 -10.465 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.205 -8.693 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 168 5.900 -9.473 3.686 1.00 0.00 H new