USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 385 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl -163:sc= -0.444 (180deg=-1.21) USER MOD Single : A 140 LYS NZ :NH3+ 159:sc= -0.152 (180deg=-0.821) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -176:sc= -0.102 (180deg=-0.134) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 53:sc= 1.17 USER MOD Single : A 159 THR OG1 : rot -90:sc= -0.604 USER MOD Single : A 164 LYS NZ :NH3+ 153:sc= 0.109 (180deg=-0.896) USER MOD Single : A 170 THR OG1 : rot -89:sc= 0.565 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 125 9.322 7.588 8.252 1.00 0.00 N ATOM 2 CA GLY A 125 10.391 6.777 8.898 1.00 0.00 C ATOM 3 C GLY A 125 10.976 5.738 7.962 1.00 0.00 C ATOM 4 O GLY A 125 10.637 4.557 8.044 1.00 0.00 O ATOM 0 HA2 GLY A 125 11.185 7.438 9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 125 9.984 6.280 9.779 1.00 0.00 H new ATOM 10 N SER A 126 11.857 6.178 7.070 1.00 0.00 N ATOM 11 CA SER A 126 12.491 5.277 6.114 1.00 0.00 C ATOM 12 C SER A 126 13.632 4.504 6.767 1.00 0.00 C ATOM 13 O SER A 126 14.801 4.860 6.618 1.00 0.00 O ATOM 14 CB SER A 126 13.017 6.065 4.911 1.00 0.00 C ATOM 15 OG SER A 126 12.048 6.126 3.878 1.00 0.00 O ATOM 0 H SER A 126 12.148 7.152 6.989 1.00 0.00 H new ATOM 0 HA SER A 126 11.741 4.563 5.774 1.00 0.00 H new ATOM 0 HB2 SER A 126 13.285 7.075 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 126 13.926 5.596 4.534 1.00 0.00 H new ATOM 0 HG SER A 126 12.407 6.636 3.122 1.00 0.00 H new ATOM 21 N ARG A 127 13.284 3.447 7.493 1.00 0.00 N ATOM 22 CA ARG A 127 14.280 2.623 8.171 1.00 0.00 C ATOM 23 C ARG A 127 14.127 1.155 7.784 1.00 0.00 C ATOM 24 O ARG A 127 15.013 0.572 7.159 1.00 0.00 O ATOM 25 CB ARG A 127 14.155 2.779 9.688 1.00 0.00 C ATOM 26 CG ARG A 127 15.100 3.818 10.271 1.00 0.00 C ATOM 27 CD ARG A 127 15.139 3.746 11.789 1.00 0.00 C ATOM 28 NE ARG A 127 16.163 2.821 12.269 1.00 0.00 N ATOM 29 CZ ARG A 127 16.184 2.310 13.497 1.00 0.00 C ATOM 30 NH1 ARG A 127 15.240 2.631 14.374 1.00 0.00 N ATOM 31 NH2 ARG A 127 17.151 1.475 13.852 1.00 0.00 N ATOM 0 H ARG A 127 12.321 3.140 7.627 1.00 0.00 H new ATOM 0 HA ARG A 127 15.268 2.961 7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.129 3.054 9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.349 1.817 10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 127 16.103 3.664 9.872 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.784 4.814 9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.330 4.740 12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 127 14.164 3.432 12.162 1.00 0.00 H new ATOM 0 HE ARG A 127 16.906 2.551 11.624 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.493 3.273 14.108 1.00 0.00 H new ATOM 0 HH12 ARG A 127 15.262 2.236 15.314 1.00 0.00 H new ATOM 0 HH21 ARG A 127 17.879 1.224 13.183 1.00 0.00 H new ATOM 0 HH22 ARG A 127 17.167 1.084 14.794 1.00 0.00 H new ATOM 45 N GLU A 128 12.998 0.562 8.162 1.00 0.00 N ATOM 46 CA GLU A 128 12.731 -0.839 7.855 1.00 0.00 C ATOM 47 C GLU A 128 11.488 -0.979 6.983 1.00 0.00 C ATOM 48 O GLU A 128 11.456 -1.788 6.055 1.00 0.00 O ATOM 49 CB GLU A 128 12.559 -1.642 9.148 1.00 0.00 C ATOM 50 CG GLU A 128 13.652 -2.676 9.370 1.00 0.00 C ATOM 51 CD GLU A 128 14.655 -2.247 10.423 1.00 0.00 C ATOM 52 OE1 GLU A 128 15.333 -1.219 10.211 1.00 0.00 O ATOM 53 OE2 GLU A 128 14.762 -2.938 11.457 1.00 0.00 O ATOM 0 H GLU A 128 12.254 1.029 8.681 1.00 0.00 H new ATOM 0 HA GLU A 128 13.584 -1.233 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 128 12.543 -0.955 9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.592 -2.145 9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 128 13.198 -3.621 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 128 14.173 -2.857 8.430 1.00 0.00 H new ATOM 60 N VAL A 129 10.467 -0.187 7.288 1.00 0.00 N ATOM 61 CA VAL A 129 9.221 -0.221 6.533 1.00 0.00 C ATOM 62 C VAL A 129 9.250 0.778 5.386 1.00 0.00 C ATOM 63 O VAL A 129 9.075 1.978 5.595 1.00 0.00 O ATOM 64 CB VAL A 129 8.006 0.103 7.422 1.00 0.00 C ATOM 65 CG1 VAL A 129 6.738 -0.490 6.828 1.00 0.00 C ATOM 66 CG2 VAL A 129 8.219 -0.396 8.844 1.00 0.00 C ATOM 0 H VAL A 129 10.478 0.487 8.054 1.00 0.00 H new ATOM 0 HA VAL A 129 9.124 -1.235 6.144 1.00 0.00 H new ATOM 0 HB VAL A 129 7.895 1.187 7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.890 -0.251 7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.571 -0.072 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 129 6.843 -1.572 6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.346 -0.154 9.449 1.00 0.00 H new ATOM 0 HG22 VAL A 129 8.364 -1.476 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 129 9.100 0.084 9.270 1.00 0.00 H new ATOM 76 N ALA A 130 9.467 0.284 4.175 1.00 0.00 N ATOM 77 CA ALA A 130 9.508 1.152 3.008 1.00 0.00 C ATOM 78 C ALA A 130 8.126 1.288 2.381 1.00 0.00 C ATOM 79 O ALA A 130 7.309 0.368 2.439 1.00 0.00 O ATOM 80 CB ALA A 130 10.502 0.628 1.984 1.00 0.00 C ATOM 0 H ALA A 130 9.616 -0.705 3.976 1.00 0.00 H new ATOM 0 HA ALA A 130 9.834 2.139 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.517 1.291 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.496 0.589 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.206 -0.373 1.669 1.00 0.00 H new ATOM 86 N ALA A 131 7.880 2.439 1.774 1.00 0.00 N ATOM 87 CA ALA A 131 6.606 2.703 1.120 1.00 0.00 C ATOM 88 C ALA A 131 6.787 3.683 -0.033 1.00 0.00 C ATOM 89 O ALA A 131 6.779 4.896 0.170 1.00 0.00 O ATOM 90 CB ALA A 131 5.598 3.245 2.123 1.00 0.00 C ATOM 0 H ALA A 131 8.548 3.208 1.720 1.00 0.00 H new ATOM 0 HA ALA A 131 6.226 1.764 0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.651 3.437 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.445 2.513 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.975 4.173 2.553 1.00 0.00 H new ATOM 96 N MET A 132 6.958 3.155 -1.246 1.00 0.00 N ATOM 97 CA MET A 132 7.148 4.002 -2.424 1.00 0.00 C ATOM 98 C MET A 132 6.112 5.132 -2.459 1.00 0.00 C ATOM 99 O MET A 132 5.149 5.123 -1.692 1.00 0.00 O ATOM 100 CB MET A 132 7.085 3.164 -3.706 1.00 0.00 C ATOM 101 CG MET A 132 5.844 2.295 -3.823 1.00 0.00 C ATOM 102 SD MET A 132 5.843 1.297 -5.326 1.00 0.00 S ATOM 103 CE MET A 132 6.421 2.486 -6.534 1.00 0.00 C ATOM 0 H MET A 132 6.969 2.153 -1.438 1.00 0.00 H new ATOM 0 HA MET A 132 8.137 4.456 -2.361 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.129 3.832 -4.566 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.967 2.526 -3.753 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.780 1.639 -2.955 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.957 2.929 -3.810 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.191 2.127 -7.537 1.00 0.00 H new ATOM 0 HE2 MET A 132 5.925 3.443 -6.369 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.499 2.613 -6.432 1.00 0.00 H new ATOM 113 N PRO A 133 6.309 6.135 -3.336 1.00 0.00 N ATOM 114 CA PRO A 133 5.401 7.286 -3.448 1.00 0.00 C ATOM 115 C PRO A 133 4.014 6.904 -3.948 1.00 0.00 C ATOM 116 O PRO A 133 3.003 7.346 -3.404 1.00 0.00 O ATOM 117 CB PRO A 133 6.097 8.205 -4.465 1.00 0.00 C ATOM 118 CG PRO A 133 7.502 7.712 -4.543 1.00 0.00 C ATOM 119 CD PRO A 133 7.434 6.239 -4.274 1.00 0.00 C ATOM 0 HA PRO A 133 5.231 7.750 -2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.608 8.156 -5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.063 9.246 -4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 133 7.932 7.911 -5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.134 8.214 -3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.256 5.669 -5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.360 5.863 -3.839 1.00 0.00 H new ATOM 127 N ALA A 134 3.971 6.086 -4.992 1.00 0.00 N ATOM 128 CA ALA A 134 2.707 5.650 -5.573 1.00 0.00 C ATOM 129 C ALA A 134 1.796 5.023 -4.519 1.00 0.00 C ATOM 130 O ALA A 134 0.636 5.416 -4.370 1.00 0.00 O ATOM 131 CB ALA A 134 2.973 4.667 -6.703 1.00 0.00 C ATOM 0 H ALA A 134 4.799 5.710 -5.455 1.00 0.00 H new ATOM 0 HA ALA A 134 2.193 6.524 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.026 4.344 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.576 5.151 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.509 3.801 -6.314 1.00 0.00 H new ATOM 137 N ALA A 135 2.331 4.052 -3.790 1.00 0.00 N ATOM 138 CA ALA A 135 1.575 3.369 -2.749 1.00 0.00 C ATOM 139 C ALA A 135 1.312 4.296 -1.572 1.00 0.00 C ATOM 140 O ALA A 135 0.274 4.210 -0.915 1.00 0.00 O ATOM 141 CB ALA A 135 2.317 2.122 -2.299 1.00 0.00 C ATOM 0 H ALA A 135 3.289 3.719 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 135 0.610 3.071 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.744 1.618 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.446 1.450 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.294 2.402 -1.906 1.00 0.00 H new ATOM 147 N ARG A 136 2.257 5.192 -1.317 1.00 0.00 N ATOM 148 CA ARG A 136 2.133 6.152 -0.230 1.00 0.00 C ATOM 149 C ARG A 136 1.019 7.145 -0.529 1.00 0.00 C ATOM 150 O ARG A 136 0.176 7.435 0.320 1.00 0.00 O ATOM 151 CB ARG A 136 3.449 6.902 -0.047 1.00 0.00 C ATOM 152 CG ARG A 136 4.365 6.281 0.990 1.00 0.00 C ATOM 153 CD ARG A 136 4.092 6.834 2.378 1.00 0.00 C ATOM 154 NE ARG A 136 5.320 6.999 3.153 1.00 0.00 N ATOM 155 CZ ARG A 136 6.298 7.840 2.825 1.00 0.00 C ATOM 156 NH1 ARG A 136 6.194 8.600 1.741 1.00 0.00 N ATOM 157 NH2 ARG A 136 7.383 7.923 3.582 1.00 0.00 N ATOM 0 H ARG A 136 3.122 5.273 -1.852 1.00 0.00 H new ATOM 0 HA ARG A 136 1.893 5.613 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.971 6.941 -1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.234 7.931 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 136 4.230 5.199 0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.404 6.471 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.586 7.795 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.416 6.164 2.909 1.00 0.00 H new ATOM 0 HE ARG A 136 5.434 6.436 3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 136 5.361 8.541 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 136 6.947 9.243 1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 136 7.469 7.342 4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 136 8.132 8.568 3.330 1.00 0.00 H new ATOM 171 N ARG A 137 1.033 7.657 -1.751 1.00 0.00 N ATOM 172 CA ARG A 137 0.037 8.623 -2.195 1.00 0.00 C ATOM 173 C ARG A 137 -1.366 8.042 -2.111 1.00 0.00 C ATOM 174 O ARG A 137 -2.250 8.613 -1.473 1.00 0.00 O ATOM 175 CB ARG A 137 0.327 9.054 -3.632 1.00 0.00 C ATOM 176 CG ARG A 137 -0.558 10.191 -4.116 1.00 0.00 C ATOM 177 CD ARG A 137 -0.064 11.535 -3.610 1.00 0.00 C ATOM 178 NE ARG A 137 -0.982 12.619 -3.950 1.00 0.00 N ATOM 179 CZ ARG A 137 -0.998 13.799 -3.333 1.00 0.00 C ATOM 180 NH1 ARG A 137 -0.148 14.052 -2.346 1.00 0.00 N ATOM 181 NH2 ARG A 137 -1.867 14.730 -3.705 1.00 0.00 N ATOM 0 H ARG A 137 1.728 7.418 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 137 0.093 9.489 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.371 9.360 -3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.197 8.197 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -0.581 10.197 -5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -1.581 10.027 -3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.061 11.491 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 137 0.917 11.744 -4.036 1.00 0.00 H new ATOM 0 HE ARG A 137 -1.650 12.463 -4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 137 0.523 13.341 -2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.165 14.958 -1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -2.523 14.542 -4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -1.879 15.634 -3.233 1.00 0.00 H new ATOM 195 N LEU A 138 -1.566 6.902 -2.764 1.00 0.00 N ATOM 196 CA LEU A 138 -2.858 6.248 -2.768 1.00 0.00 C ATOM 197 C LEU A 138 -3.260 5.837 -1.357 1.00 0.00 C ATOM 198 O LEU A 138 -4.411 5.994 -0.966 1.00 0.00 O ATOM 199 CB LEU A 138 -2.812 5.030 -3.685 1.00 0.00 C ATOM 200 CG LEU A 138 -1.924 3.894 -3.203 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.673 3.021 -2.213 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.441 3.074 -4.383 1.00 0.00 C ATOM 0 H LEU A 138 -0.845 6.416 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.606 6.948 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.826 4.650 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.467 5.348 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.056 4.316 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -2.024 2.212 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.977 3.622 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.557 2.601 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.806 2.263 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.298 2.658 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.871 3.711 -5.060 1.00 0.00 H new ATOM 214 N ALA A 139 -2.307 5.307 -0.596 1.00 0.00 N ATOM 215 CA ALA A 139 -2.577 4.876 0.771 1.00 0.00 C ATOM 216 C ALA A 139 -3.138 6.023 1.604 1.00 0.00 C ATOM 217 O ALA A 139 -4.039 5.830 2.420 1.00 0.00 O ATOM 218 CB ALA A 139 -1.312 4.323 1.411 1.00 0.00 C ATOM 0 H ALA A 139 -1.344 5.166 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.326 4.085 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.529 4.005 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.955 3.470 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.544 5.097 1.428 1.00 0.00 H new ATOM 224 N LYS A 140 -2.603 7.220 1.386 1.00 0.00 N ATOM 225 CA LYS A 140 -3.051 8.402 2.111 1.00 0.00 C ATOM 226 C LYS A 140 -4.382 8.908 1.559 1.00 0.00 C ATOM 227 O LYS A 140 -5.186 9.489 2.288 1.00 0.00 O ATOM 228 CB LYS A 140 -1.995 9.506 2.032 1.00 0.00 C ATOM 229 CG LYS A 140 -1.178 9.659 3.304 1.00 0.00 C ATOM 230 CD LYS A 140 0.082 8.809 3.261 1.00 0.00 C ATOM 231 CE LYS A 140 0.829 8.854 4.584 1.00 0.00 C ATOM 232 NZ LYS A 140 2.296 8.685 4.400 1.00 0.00 N ATOM 0 H LYS A 140 -1.858 7.396 0.712 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.196 8.125 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.322 9.295 1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.487 10.453 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -0.908 10.706 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -1.783 9.371 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.181 7.778 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.734 9.162 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 140 0.633 9.805 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 140 0.453 8.069 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.796 9.065 5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 2.518 7.675 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 2.600 9.198 3.548 1.00 0.00 H new ATOM 246 N GLU A 141 -4.608 8.684 0.268 1.00 0.00 N ATOM 247 CA GLU A 141 -5.844 9.120 -0.377 1.00 0.00 C ATOM 248 C GLU A 141 -6.979 8.132 -0.113 1.00 0.00 C ATOM 249 O GLU A 141 -8.153 8.497 -0.152 1.00 0.00 O ATOM 250 CB GLU A 141 -5.626 9.279 -1.884 1.00 0.00 C ATOM 251 CG GLU A 141 -6.876 9.703 -2.638 1.00 0.00 C ATOM 252 CD GLU A 141 -6.559 10.446 -3.922 1.00 0.00 C ATOM 253 OE1 GLU A 141 -5.481 10.194 -4.502 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.386 11.279 -4.346 1.00 0.00 O ATOM 0 H GLU A 141 -3.954 8.205 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.125 10.084 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.842 10.017 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.268 8.334 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.472 8.821 -2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.485 10.339 -1.996 1.00 0.00 H new ATOM 261 N LEU A 142 -6.618 6.881 0.150 1.00 0.00 N ATOM 262 CA LEU A 142 -7.593 5.836 0.415 1.00 0.00 C ATOM 263 C LEU A 142 -7.902 5.748 1.906 1.00 0.00 C ATOM 264 O LEU A 142 -9.003 5.366 2.301 1.00 0.00 O ATOM 265 CB LEU A 142 -7.063 4.496 -0.092 1.00 0.00 C ATOM 266 CG LEU A 142 -7.136 4.305 -1.609 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.844 3.700 -2.139 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.327 3.435 -1.978 1.00 0.00 C ATOM 0 H LEU A 142 -5.648 6.567 0.185 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.516 6.081 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -6.025 4.390 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.625 3.695 0.388 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.267 5.283 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.918 3.573 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -5.010 4.363 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.677 2.730 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.364 3.309 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.226 2.459 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.246 3.912 -1.636 1.00 0.00 H new ATOM 280 N GLY A 143 -6.923 6.111 2.730 1.00 0.00 N ATOM 281 CA GLY A 143 -7.114 6.075 4.168 1.00 0.00 C ATOM 282 C GLY A 143 -6.710 4.751 4.787 1.00 0.00 C ATOM 283 O GLY A 143 -7.289 4.330 5.789 1.00 0.00 O ATOM 0 H GLY A 143 -6.002 6.429 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.534 6.876 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.162 6.271 4.395 1.00 0.00 H new ATOM 287 N ILE A 144 -5.713 4.092 4.203 1.00 0.00 N ATOM 288 CA ILE A 144 -5.244 2.814 4.725 1.00 0.00 C ATOM 289 C ILE A 144 -3.840 2.934 5.305 1.00 0.00 C ATOM 290 O ILE A 144 -3.016 3.703 4.809 1.00 0.00 O ATOM 291 CB ILE A 144 -5.245 1.706 3.647 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.090 0.337 4.322 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.137 1.945 2.623 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.685 -0.783 3.388 1.00 0.00 C ATOM 0 H ILE A 144 -5.218 4.420 3.374 1.00 0.00 H new ATOM 0 HA ILE A 144 -5.944 2.535 5.513 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.194 1.728 3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.346 0.419 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.034 0.072 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.157 1.153 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.292 2.908 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.170 1.944 3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.599 -1.713 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -5.439 -0.898 2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -3.725 -0.546 2.930 1.00 0.00 H new ATOM 306 N ASP A 145 -3.571 2.160 6.349 1.00 0.00 N ATOM 307 CA ASP A 145 -2.263 2.170 6.986 1.00 0.00 C ATOM 308 C ASP A 145 -1.282 1.326 6.181 1.00 0.00 C ATOM 309 O ASP A 145 -1.293 0.098 6.270 1.00 0.00 O ATOM 310 CB ASP A 145 -2.364 1.627 8.413 1.00 0.00 C ATOM 311 CG ASP A 145 -1.602 2.478 9.410 1.00 0.00 C ATOM 312 OD1 ASP A 145 -1.485 3.701 9.181 1.00 0.00 O ATOM 313 OD2 ASP A 145 -1.123 1.922 10.421 1.00 0.00 O ATOM 0 H ASP A 145 -4.242 1.518 6.771 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.902 3.198 7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.412 1.579 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -1.978 0.608 8.439 1.00 0.00 H new ATOM 318 N ALA A 146 -0.439 1.984 5.393 1.00 0.00 N ATOM 319 CA ALA A 146 0.540 1.279 4.573 1.00 0.00 C ATOM 320 C ALA A 146 1.308 0.255 5.401 1.00 0.00 C ATOM 321 O ALA A 146 1.686 -0.804 4.900 1.00 0.00 O ATOM 322 CB ALA A 146 1.494 2.264 3.918 1.00 0.00 C ATOM 0 H ALA A 146 -0.413 3.000 5.304 1.00 0.00 H new ATOM 0 HA ALA A 146 0.004 0.744 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 146 2.217 1.721 3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.931 2.950 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 146 2.019 2.829 4.688 1.00 0.00 H new ATOM 328 N SER A 147 1.521 0.568 6.676 1.00 0.00 N ATOM 329 CA SER A 147 2.227 -0.337 7.572 1.00 0.00 C ATOM 330 C SER A 147 1.435 -1.624 7.740 1.00 0.00 C ATOM 331 O SER A 147 2.007 -2.710 7.838 1.00 0.00 O ATOM 332 CB SER A 147 2.460 0.323 8.932 1.00 0.00 C ATOM 333 OG SER A 147 3.120 -0.561 9.822 1.00 0.00 O ATOM 0 H SER A 147 1.215 1.439 7.109 1.00 0.00 H new ATOM 0 HA SER A 147 3.198 -0.572 7.135 1.00 0.00 H new ATOM 0 HB2 SER A 147 3.056 1.227 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 147 1.505 0.629 9.360 1.00 0.00 H new ATOM 0 HG SER A 147 3.259 -0.115 10.683 1.00 0.00 H new ATOM 339 N LYS A 148 0.113 -1.499 7.739 1.00 0.00 N ATOM 340 CA LYS A 148 -0.755 -2.657 7.857 1.00 0.00 C ATOM 341 C LYS A 148 -0.721 -3.445 6.548 1.00 0.00 C ATOM 342 O LYS A 148 -1.054 -4.630 6.507 1.00 0.00 O ATOM 343 CB LYS A 148 -2.179 -2.214 8.225 1.00 0.00 C ATOM 344 CG LYS A 148 -3.136 -2.127 7.049 1.00 0.00 C ATOM 345 CD LYS A 148 -3.736 -3.483 6.750 1.00 0.00 C ATOM 346 CE LYS A 148 -5.127 -3.624 7.348 1.00 0.00 C ATOM 347 NZ LYS A 148 -5.090 -3.655 8.837 1.00 0.00 N ATOM 0 H LYS A 148 -0.377 -0.608 7.658 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.404 -3.310 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.585 -2.912 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.129 -1.239 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.929 -1.413 7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.609 -1.755 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.787 -3.629 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -3.088 -4.264 7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.750 -2.793 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.591 -4.538 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -6.049 -3.820 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.461 -4.421 9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.734 -2.746 9.194 1.00 0.00 H new ATOM 361 N VAL A 149 -0.286 -2.769 5.484 1.00 0.00 N ATOM 362 CA VAL A 149 -0.168 -3.377 4.169 1.00 0.00 C ATOM 363 C VAL A 149 1.262 -3.866 3.944 1.00 0.00 C ATOM 364 O VAL A 149 2.101 -3.138 3.416 1.00 0.00 O ATOM 365 CB VAL A 149 -0.551 -2.368 3.066 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.188 -2.890 1.683 1.00 0.00 C ATOM 367 CG2 VAL A 149 -2.032 -2.041 3.146 1.00 0.00 C ATOM 0 H VAL A 149 -0.008 -1.788 5.515 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.852 -4.225 4.121 1.00 0.00 H new ATOM 0 HB VAL A 149 0.020 -1.454 3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.472 -2.154 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 149 0.886 -3.066 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.718 -3.824 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.290 -1.328 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.614 -2.953 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.257 -1.607 4.120 1.00 0.00 H new ATOM 377 N LYS A 150 1.531 -5.100 4.358 1.00 0.00 N ATOM 378 CA LYS A 150 2.860 -5.690 4.215 1.00 0.00 C ATOM 379 C LYS A 150 3.376 -5.549 2.786 1.00 0.00 C ATOM 380 O LYS A 150 2.999 -6.313 1.897 1.00 0.00 O ATOM 381 CB LYS A 150 2.825 -7.167 4.614 1.00 0.00 C ATOM 382 CG LYS A 150 4.155 -7.884 4.440 1.00 0.00 C ATOM 383 CD LYS A 150 5.065 -7.672 5.639 1.00 0.00 C ATOM 384 CE LYS A 150 5.126 -8.910 6.519 1.00 0.00 C ATOM 385 NZ LYS A 150 5.989 -8.700 7.715 1.00 0.00 N ATOM 0 H LYS A 150 0.845 -5.714 4.797 1.00 0.00 H new ATOM 0 HA LYS A 150 3.540 -5.153 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.515 -7.244 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.068 -7.676 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 150 3.979 -8.951 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 150 4.649 -7.522 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 150 6.068 -7.419 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.706 -6.826 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 150 4.119 -9.177 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 150 5.508 -9.750 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 6.004 -9.567 8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 6.956 -8.470 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 5.610 -7.916 8.283 1.00 0.00 H new ATOM 399 N GLY A 151 4.241 -4.562 2.576 1.00 0.00 N ATOM 400 CA GLY A 151 4.801 -4.326 1.260 1.00 0.00 C ATOM 401 C GLY A 151 5.867 -5.336 0.881 1.00 0.00 C ATOM 402 O GLY A 151 6.667 -5.749 1.721 1.00 0.00 O ATOM 0 H GLY A 151 4.565 -3.919 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.001 -4.355 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.229 -3.324 1.227 1.00 0.00 H new ATOM 406 N THR A 152 5.880 -5.730 -0.388 1.00 0.00 N ATOM 407 CA THR A 152 6.860 -6.696 -0.883 1.00 0.00 C ATOM 408 C THR A 152 7.737 -6.080 -1.976 1.00 0.00 C ATOM 409 O THR A 152 8.454 -6.792 -2.679 1.00 0.00 O ATOM 410 CB THR A 152 6.155 -7.960 -1.407 1.00 0.00 C ATOM 411 OG1 THR A 152 6.468 -8.196 -2.770 1.00 0.00 O ATOM 412 CG2 THR A 152 4.646 -7.906 -1.295 1.00 0.00 C ATOM 0 H THR A 152 5.224 -5.397 -1.094 1.00 0.00 H new ATOM 0 HA THR A 152 7.505 -6.977 -0.051 1.00 0.00 H new ATOM 0 HB THR A 152 6.525 -8.764 -0.771 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.441 -8.210 -2.884 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.219 -8.831 -1.683 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.363 -7.787 -0.249 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.268 -7.062 -1.872 1.00 0.00 H new ATOM 420 N GLY A 153 7.677 -4.759 -2.114 1.00 0.00 N ATOM 421 CA GLY A 153 8.469 -4.084 -3.127 1.00 0.00 C ATOM 422 C GLY A 153 9.952 -4.058 -2.795 1.00 0.00 C ATOM 423 O GLY A 153 10.329 -4.111 -1.623 1.00 0.00 O ATOM 0 H GLY A 153 7.095 -4.145 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.325 -4.582 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.109 -3.062 -3.241 1.00 0.00 H new ATOM 427 N PRO A 154 10.821 -3.970 -3.820 1.00 0.00 N ATOM 428 CA PRO A 154 12.278 -3.937 -3.637 1.00 0.00 C ATOM 429 C PRO A 154 12.712 -2.997 -2.518 1.00 0.00 C ATOM 430 O PRO A 154 12.650 -1.778 -2.657 1.00 0.00 O ATOM 431 CB PRO A 154 12.784 -3.434 -4.986 1.00 0.00 C ATOM 432 CG PRO A 154 11.770 -3.913 -5.966 1.00 0.00 C ATOM 433 CD PRO A 154 10.447 -3.888 -5.245 1.00 0.00 C ATOM 0 HA PRO A 154 12.674 -4.910 -3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.866 -2.347 -4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.773 -3.831 -5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.746 -3.271 -6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 154 12.007 -4.919 -6.311 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.891 -2.976 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.814 -4.725 -5.541 1.00 0.00 H new ATOM 441 N GLY A 155 13.151 -3.579 -1.408 1.00 0.00 N ATOM 442 CA GLY A 155 13.589 -2.783 -0.277 1.00 0.00 C ATOM 443 C GLY A 155 12.506 -2.635 0.773 1.00 0.00 C ATOM 444 O GLY A 155 12.568 -1.742 1.617 1.00 0.00 O ATOM 0 H GLY A 155 13.211 -4.588 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.467 -3.246 0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.892 -1.796 -0.625 1.00 0.00 H new ATOM 448 N GLY A 156 11.509 -3.515 0.720 1.00 0.00 N ATOM 449 CA GLY A 156 10.422 -3.461 1.677 1.00 0.00 C ATOM 450 C GLY A 156 9.437 -2.350 1.379 1.00 0.00 C ATOM 451 O GLY A 156 8.718 -1.901 2.272 1.00 0.00 O ATOM 0 H GLY A 156 11.437 -4.263 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.897 -4.416 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.831 -3.320 2.678 1.00 0.00 H new ATOM 455 N VAL A 157 9.400 -1.892 0.129 1.00 0.00 N ATOM 456 CA VAL A 157 8.490 -0.821 -0.242 1.00 0.00 C ATOM 457 C VAL A 157 7.124 -1.376 -0.619 1.00 0.00 C ATOM 458 O VAL A 157 7.012 -2.215 -1.514 1.00 0.00 O ATOM 459 CB VAL A 157 9.036 0.054 -1.410 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.524 -0.151 -1.620 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.290 -0.201 -2.716 1.00 0.00 C ATOM 0 H VAL A 157 9.982 -2.243 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 157 8.397 -0.182 0.636 1.00 0.00 H new ATOM 0 HB VAL A 157 8.866 1.090 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.865 0.477 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.060 0.120 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.717 -1.197 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.705 0.431 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.398 -1.248 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.234 0.032 -2.583 1.00 0.00 H new ATOM 471 N ILE A 158 6.080 -0.892 0.041 1.00 0.00 N ATOM 472 CA ILE A 158 4.739 -1.340 -0.280 1.00 0.00 C ATOM 473 C ILE A 158 4.403 -0.896 -1.692 1.00 0.00 C ATOM 474 O ILE A 158 4.300 0.296 -1.976 1.00 0.00 O ATOM 475 CB ILE A 158 3.688 -0.817 0.722 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.592 0.708 0.691 1.00 0.00 C ATOM 477 CG2 ILE A 158 4.023 -1.290 2.127 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.282 1.224 1.237 1.00 0.00 C ATOM 0 H ILE A 158 6.137 -0.201 0.789 1.00 0.00 H new ATOM 0 HA ILE A 158 4.713 -2.427 -0.211 1.00 0.00 H new ATOM 0 HB ILE A 158 2.719 -1.219 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.413 1.131 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.714 1.054 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.275 -0.915 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 158 4.029 -2.380 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 158 5.006 -0.915 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.272 2.313 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.459 0.827 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.169 0.905 2.273 1.00 0.00 H new ATOM 490 N THR A 159 4.286 -1.856 -2.593 1.00 0.00 N ATOM 491 CA THR A 159 4.018 -1.541 -3.983 1.00 0.00 C ATOM 492 C THR A 159 2.570 -1.137 -4.195 1.00 0.00 C ATOM 493 O THR A 159 1.686 -1.474 -3.409 1.00 0.00 O ATOM 494 CB THR A 159 4.401 -2.715 -4.879 1.00 0.00 C ATOM 495 OG1 THR A 159 3.681 -3.882 -4.524 1.00 0.00 O ATOM 496 CG2 THR A 159 5.878 -3.039 -4.808 1.00 0.00 C ATOM 0 H THR A 159 4.372 -2.852 -2.388 1.00 0.00 H new ATOM 0 HA THR A 159 4.634 -0.685 -4.258 1.00 0.00 H new ATOM 0 HB THR A 159 4.153 -2.407 -5.895 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.183 -4.383 -3.848 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.098 -3.882 -5.464 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.456 -2.171 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.145 -3.298 -3.783 1.00 0.00 H new ATOM 504 N VAL A 160 2.342 -0.392 -5.263 1.00 0.00 N ATOM 505 CA VAL A 160 1.007 0.086 -5.587 1.00 0.00 C ATOM 506 C VAL A 160 0.022 -1.067 -5.688 1.00 0.00 C ATOM 507 O VAL A 160 -1.097 -0.989 -5.185 1.00 0.00 O ATOM 508 CB VAL A 160 0.974 0.889 -6.903 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.056 2.073 -6.735 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.363 1.352 -7.322 1.00 0.00 C ATOM 0 H VAL A 160 3.065 -0.104 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 160 0.717 0.749 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 160 0.602 0.237 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.028 2.646 -7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.948 1.724 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.424 2.707 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.294 1.914 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.784 1.989 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.007 0.485 -7.468 1.00 0.00 H new ATOM 520 N GLU A 161 0.454 -2.141 -6.327 1.00 0.00 N ATOM 521 CA GLU A 161 -0.379 -3.322 -6.486 1.00 0.00 C ATOM 522 C GLU A 161 -0.703 -3.918 -5.122 1.00 0.00 C ATOM 523 O GLU A 161 -1.741 -4.554 -4.938 1.00 0.00 O ATOM 524 CB GLU A 161 0.326 -4.360 -7.363 1.00 0.00 C ATOM 525 CG GLU A 161 -0.253 -4.465 -8.765 1.00 0.00 C ATOM 526 CD GLU A 161 -0.872 -5.823 -9.042 1.00 0.00 C ATOM 527 OE1 GLU A 161 -0.417 -6.816 -8.438 1.00 0.00 O ATOM 528 OE2 GLU A 161 -1.811 -5.891 -9.863 1.00 0.00 O ATOM 0 H GLU A 161 1.381 -2.220 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.309 -3.031 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.384 -4.106 -7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 161 0.264 -5.335 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.009 -3.691 -8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 161 0.534 -4.273 -9.494 1.00 0.00 H new ATOM 535 N ASP A 162 0.196 -3.695 -4.170 1.00 0.00 N ATOM 536 CA ASP A 162 0.017 -4.198 -2.817 1.00 0.00 C ATOM 537 C ASP A 162 -1.105 -3.446 -2.111 1.00 0.00 C ATOM 538 O ASP A 162 -2.026 -4.050 -1.558 1.00 0.00 O ATOM 539 CB ASP A 162 1.315 -4.056 -2.018 1.00 0.00 C ATOM 540 CG ASP A 162 2.386 -5.035 -2.454 1.00 0.00 C ATOM 541 OD1 ASP A 162 2.033 -6.083 -3.034 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.581 -4.752 -2.212 1.00 0.00 O ATOM 0 H ASP A 162 1.057 -3.168 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.249 -5.253 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.693 -3.039 -2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.102 -4.206 -0.959 1.00 0.00 H new ATOM 547 N VAL A 163 -1.021 -2.120 -2.132 1.00 0.00 N ATOM 548 CA VAL A 163 -2.035 -1.289 -1.488 1.00 0.00 C ATOM 549 C VAL A 163 -3.358 -1.365 -2.245 1.00 0.00 C ATOM 550 O VAL A 163 -4.427 -1.382 -1.638 1.00 0.00 O ATOM 551 CB VAL A 163 -1.626 0.201 -1.381 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.932 0.741 0.009 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.163 0.430 -1.727 1.00 0.00 C ATOM 0 H VAL A 163 -0.269 -1.600 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.141 -1.688 -0.479 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.219 0.746 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.638 1.789 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -3.000 0.653 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.377 0.168 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.071 1.491 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.466 -0.140 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.024 0.104 -2.750 1.00 0.00 H new ATOM 563 N LYS A 164 -3.280 -1.396 -3.573 1.00 0.00 N ATOM 564 CA LYS A 164 -4.478 -1.456 -4.405 1.00 0.00 C ATOM 565 C LYS A 164 -5.278 -2.725 -4.128 1.00 0.00 C ATOM 566 O LYS A 164 -6.488 -2.671 -3.911 1.00 0.00 O ATOM 567 CB LYS A 164 -4.099 -1.357 -5.890 1.00 0.00 C ATOM 568 CG LYS A 164 -4.243 -2.655 -6.665 1.00 0.00 C ATOM 569 CD LYS A 164 -3.899 -2.472 -8.134 1.00 0.00 C ATOM 570 CE LYS A 164 -3.540 -3.793 -8.793 1.00 0.00 C ATOM 571 NZ LYS A 164 -2.988 -3.601 -10.162 1.00 0.00 N ATOM 0 H LYS A 164 -2.403 -1.381 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.113 -0.607 -4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -4.722 -0.597 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -3.067 -1.016 -5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.592 -3.413 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -5.265 -3.022 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -4.746 -2.024 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -3.064 -1.778 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -2.809 -4.318 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -4.426 -4.425 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -2.357 -4.394 -10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -3.768 -3.565 -10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -2.453 -2.710 -10.199 1.00 0.00 H new ATOM 585 N ARG A 165 -4.598 -3.862 -4.144 1.00 0.00 N ATOM 586 CA ARG A 165 -5.255 -5.139 -3.900 1.00 0.00 C ATOM 587 C ARG A 165 -5.742 -5.237 -2.457 1.00 0.00 C ATOM 588 O ARG A 165 -6.801 -5.808 -2.186 1.00 0.00 O ATOM 589 CB ARG A 165 -4.315 -6.305 -4.232 1.00 0.00 C ATOM 590 CG ARG A 165 -3.139 -6.448 -3.277 1.00 0.00 C ATOM 591 CD ARG A 165 -3.191 -7.767 -2.520 1.00 0.00 C ATOM 592 NE ARG A 165 -2.503 -8.837 -3.238 1.00 0.00 N ATOM 593 CZ ARG A 165 -2.705 -10.133 -3.011 1.00 0.00 C ATOM 594 NH1 ARG A 165 -3.571 -10.526 -2.086 1.00 0.00 N ATOM 595 NH2 ARG A 165 -2.036 -11.040 -3.711 1.00 0.00 N ATOM 0 H ARG A 165 -3.596 -3.927 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.124 -5.200 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -4.888 -7.232 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -3.933 -6.172 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -2.205 -6.385 -3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -3.142 -5.620 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -2.737 -7.639 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -4.231 -8.050 -2.356 1.00 0.00 H new ATOM 0 HE ARG A 165 -1.828 -8.575 -3.956 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -4.087 -9.833 -1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -3.721 -11.521 -1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -1.368 -10.744 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -2.190 -12.033 -3.538 1.00 0.00 H new ATOM 609 N TRP A 166 -4.971 -4.670 -1.531 1.00 0.00 N ATOM 610 CA TRP A 166 -5.334 -4.696 -0.120 1.00 0.00 C ATOM 611 C TRP A 166 -6.511 -3.766 0.161 1.00 0.00 C ATOM 612 O TRP A 166 -7.387 -4.083 0.965 1.00 0.00 O ATOM 613 CB TRP A 166 -4.137 -4.296 0.745 1.00 0.00 C ATOM 614 CG TRP A 166 -4.281 -4.709 2.178 1.00 0.00 C ATOM 615 CD1 TRP A 166 -5.276 -4.345 3.038 1.00 0.00 C ATOM 616 CD2 TRP A 166 -3.402 -5.563 2.916 1.00 0.00 C ATOM 617 NE1 TRP A 166 -5.071 -4.923 4.266 1.00 0.00 N ATOM 618 CE2 TRP A 166 -3.926 -5.674 4.219 1.00 0.00 C ATOM 619 CE3 TRP A 166 -2.222 -6.244 2.606 1.00 0.00 C ATOM 620 CZ2 TRP A 166 -3.311 -6.441 5.206 1.00 0.00 C ATOM 621 CZ3 TRP A 166 -1.613 -7.004 3.586 1.00 0.00 C ATOM 622 CH2 TRP A 166 -2.158 -7.097 4.872 1.00 0.00 C ATOM 0 H TRP A 166 -4.095 -4.189 -1.734 1.00 0.00 H new ATOM 0 HA TRP A 166 -5.632 -5.714 0.131 1.00 0.00 H new ATOM 0 HB2 TRP A 166 -3.233 -4.745 0.333 1.00 0.00 H new ATOM 0 HB3 TRP A 166 -4.007 -3.215 0.696 1.00 0.00 H new ATOM 0 HD1 TRP A 166 -6.103 -3.697 2.789 1.00 0.00 H new ATOM 0 HE1 TRP A 166 -5.673 -4.811 5.081 1.00 0.00 H new ATOM 0 HE3 TRP A 166 -1.793 -6.177 1.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 -3.729 -6.515 6.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.701 -7.535 3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 166 -1.658 -7.699 5.616 1.00 0.00 H new ATOM 633 N ALA A 167 -6.523 -2.617 -0.506 1.00 0.00 N ATOM 634 CA ALA A 167 -7.589 -1.641 -0.329 1.00 0.00 C ATOM 635 C ALA A 167 -8.884 -2.116 -0.977 1.00 0.00 C ATOM 636 O ALA A 167 -9.957 -2.024 -0.382 1.00 0.00 O ATOM 637 CB ALA A 167 -7.173 -0.294 -0.902 1.00 0.00 C ATOM 0 H ALA A 167 -5.805 -2.340 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 167 -7.769 -1.529 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -7.980 0.426 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -6.279 0.059 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -6.962 -0.401 -1.966 1.00 0.00 H new ATOM 643 N GLU A 168 -8.776 -2.627 -2.199 1.00 0.00 N ATOM 644 CA GLU A 168 -9.941 -3.118 -2.922 1.00 0.00 C ATOM 645 C GLU A 168 -10.569 -4.300 -2.195 1.00 0.00 C ATOM 646 O GLU A 168 -11.792 -4.403 -2.097 1.00 0.00 O ATOM 647 CB GLU A 168 -9.557 -3.519 -4.348 1.00 0.00 C ATOM 648 CG GLU A 168 -8.682 -4.760 -4.422 1.00 0.00 C ATOM 649 CD GLU A 168 -8.231 -5.072 -5.836 1.00 0.00 C ATOM 650 OE1 GLU A 168 -8.077 -4.122 -6.633 1.00 0.00 O ATOM 651 OE2 GLU A 168 -8.032 -6.265 -6.146 1.00 0.00 O ATOM 0 H GLU A 168 -7.896 -2.711 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 168 -10.674 -2.313 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -10.466 -3.692 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -9.033 -2.688 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -7.807 -4.621 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -9.232 -5.612 -4.024 1.00 0.00 H new ATOM 658 N GLU A 169 -9.725 -5.190 -1.683 1.00 0.00 N ATOM 659 CA GLU A 169 -10.197 -6.367 -0.959 1.00 0.00 C ATOM 660 C GLU A 169 -11.146 -5.972 0.171 1.00 0.00 C ATOM 661 O GLU A 169 -12.014 -6.750 0.564 1.00 0.00 O ATOM 662 CB GLU A 169 -9.014 -7.155 -0.395 1.00 0.00 C ATOM 663 CG GLU A 169 -8.369 -8.091 -1.402 1.00 0.00 C ATOM 664 CD GLU A 169 -6.977 -8.525 -0.988 1.00 0.00 C ATOM 665 OE1 GLU A 169 -6.654 -8.415 0.213 1.00 0.00 O ATOM 666 OE2 GLU A 169 -6.209 -8.973 -1.865 1.00 0.00 O ATOM 0 H GLU A 169 -8.710 -5.119 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 169 -10.742 -6.997 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -8.263 -6.454 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -9.352 -7.736 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -8.998 -8.972 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -8.318 -7.596 -2.372 1.00 0.00 H new ATOM 673 N THR A 170 -10.975 -4.759 0.686 1.00 0.00 N ATOM 674 CA THR A 170 -11.813 -4.259 1.765 1.00 0.00 C ATOM 675 C THR A 170 -13.207 -3.916 1.253 1.00 0.00 C ATOM 676 O THR A 170 -14.211 -4.372 1.800 1.00 0.00 O ATOM 677 CB THR A 170 -11.173 -3.023 2.399 1.00 0.00 C ATOM 678 OG1 THR A 170 -11.433 -1.868 1.620 1.00 0.00 O ATOM 679 CG2 THR A 170 -9.672 -3.136 2.562 1.00 0.00 C ATOM 0 H THR A 170 -10.260 -4.103 0.371 1.00 0.00 H new ATOM 0 HA THR A 170 -11.904 -5.042 2.518 1.00 0.00 H new ATOM 0 HB THR A 170 -11.623 -2.945 3.389 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.730 -1.764 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 170 -9.286 -2.224 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 170 -9.438 -3.988 3.201 1.00 0.00 H new ATOM 0 HG23 THR A 170 -9.210 -3.278 1.585 1.00 0.00 H new ATOM 687 N ALA A 171 -13.259 -3.116 0.194 1.00 0.00 N ATOM 688 CA ALA A 171 -14.528 -2.715 -0.399 1.00 0.00 C ATOM 689 C ALA A 171 -15.160 -3.879 -1.152 1.00 0.00 C ATOM 690 O ALA A 171 -16.383 -3.986 -1.241 1.00 0.00 O ATOM 691 CB ALA A 171 -14.324 -1.528 -1.327 1.00 0.00 C ATOM 0 H ALA A 171 -12.436 -2.732 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 171 -15.206 -2.418 0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -15.280 -1.239 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.915 -0.691 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -13.631 -1.803 -2.122 1.00 0.00 H new ATOM 697 N LYS A 172 -14.313 -4.753 -1.687 1.00 0.00 N ATOM 698 CA LYS A 172 -14.779 -5.917 -2.430 1.00 0.00 C ATOM 699 C LYS A 172 -15.546 -6.867 -1.516 1.00 0.00 C ATOM 700 O LYS A 172 -16.460 -7.564 -1.956 1.00 0.00 O ATOM 701 CB LYS A 172 -13.591 -6.643 -3.066 1.00 0.00 C ATOM 702 CG LYS A 172 -13.361 -6.274 -4.523 1.00 0.00 C ATOM 703 CD LYS A 172 -11.882 -6.299 -4.881 1.00 0.00 C ATOM 704 CE LYS A 172 -11.586 -7.319 -5.970 1.00 0.00 C ATOM 705 NZ LYS A 172 -10.975 -8.561 -5.418 1.00 0.00 N ATOM 0 H LYS A 172 -13.298 -4.676 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 172 -15.452 -5.578 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -12.690 -6.416 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -13.752 -7.719 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -13.903 -6.969 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -13.766 -5.280 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -11.571 -5.309 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -11.296 -6.534 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -12.509 -7.570 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -10.913 -6.879 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -10.789 -9.230 -6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -10.081 -8.326 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -11.628 -8.995 -4.735 1.00 0.00 H new ATOM 719 N ALA A 173 -15.166 -6.888 -0.242 1.00 0.00 N ATOM 720 CA ALA A 173 -15.817 -7.751 0.736 1.00 0.00 C ATOM 721 C ALA A 173 -17.083 -7.102 1.285 1.00 0.00 C ATOM 722 O ALA A 173 -17.025 -6.066 1.947 1.00 0.00 O ATOM 723 CB ALA A 173 -14.856 -8.079 1.868 1.00 0.00 C ATOM 0 H ALA A 173 -14.410 -6.317 0.137 1.00 0.00 H new ATOM 0 HA ALA A 173 -16.103 -8.676 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -15.353 -8.724 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -13.982 -8.591 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -14.543 -7.157 2.358 1.00 0.00 H new ATOM 729 N THR A 174 -18.226 -7.718 1.005 1.00 0.00 N ATOM 730 CA THR A 174 -19.508 -7.201 1.470 1.00 0.00 C ATOM 731 C THR A 174 -20.041 -8.032 2.632 1.00 0.00 C ATOM 732 O THR A 174 -20.658 -7.503 3.557 1.00 0.00 O ATOM 733 CB THR A 174 -20.523 -7.191 0.326 1.00 0.00 C ATOM 734 OG1 THR A 174 -20.799 -8.511 -0.110 1.00 0.00 O ATOM 735 CG2 THR A 174 -20.062 -6.397 -0.877 1.00 0.00 C ATOM 0 H THR A 174 -18.291 -8.576 0.458 1.00 0.00 H new ATOM 0 HA THR A 174 -19.355 -6.180 1.819 1.00 0.00 H new ATOM 0 HB THR A 174 -21.414 -6.715 0.735 1.00 0.00 H new ATOM 0 HG1 THR A 174 -21.451 -8.484 -0.841 1.00 0.00 H new ATOM 0 HG21 THR A 174 -20.829 -6.431 -1.651 1.00 0.00 H new ATOM 0 HG22 THR A 174 -19.888 -5.362 -0.584 1.00 0.00 H new ATOM 0 HG23 THR A 174 -19.137 -6.826 -1.263 1.00 0.00 H new ATOM 743 N ALA A 175 -19.801 -9.338 2.578 1.00 0.00 N ATOM 744 CA ALA A 175 -20.257 -10.243 3.625 1.00 0.00 C ATOM 745 C ALA A 175 -19.142 -11.189 4.057 1.00 0.00 C ATOM 746 O ALA A 175 -19.425 -12.117 4.844 1.00 0.00 O ATOM 747 CB ALA A 175 -21.468 -11.033 3.149 1.00 0.00 C ATOM 748 OXT ALA A 175 -17.994 -10.996 3.604 1.00 0.00 O ATOM 0 H ALA A 175 -19.293 -9.793 1.819 1.00 0.00 H new ATOM 0 HA ALA A 175 -20.544 -9.644 4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -21.798 -11.705 3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -22.275 -10.345 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -21.199 -11.615 2.268 1.00 0.00 H new TER 754 ALA A 175