USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 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 180:sc= 0 USER MOD Set 1.2: A 160 LYS NZ :NH3+ 136:sc= 0.869 (180deg=0.0744) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) 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 142 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 : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.162 3.202 -4.986 1.00 0.00 N ATOM 82 CA ILE A 130 -6.004 3.353 -3.808 1.00 0.00 C ATOM 83 C ILE A 130 -5.221 3.016 -2.547 1.00 0.00 C ATOM 84 O ILE A 130 -4.848 1.865 -2.320 1.00 0.00 O ATOM 85 CB ILE A 130 -7.258 2.463 -3.887 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.998 2.723 -5.195 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.174 2.719 -2.698 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.629 1.759 -6.303 1.00 0.00 C ATOM 0 HA ILE A 130 -6.325 4.394 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.948 1.419 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.071 2.662 -5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.788 3.740 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.054 2.080 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.641 2.496 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.483 3.764 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.194 2.005 -7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.562 1.836 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.865 0.741 -5.993 1.00 0.00 H new ATOM 100 N ALA A 131 -4.972 4.033 -1.733 1.00 0.00 N ATOM 101 CA ALA A 131 -4.225 3.856 -0.494 1.00 0.00 C ATOM 102 C ALA A 131 -4.298 5.106 0.374 1.00 0.00 C ATOM 103 O ALA A 131 -4.456 6.217 -0.132 1.00 0.00 O ATOM 104 CB ALA A 131 -2.775 3.509 -0.800 1.00 0.00 C ATOM 0 H ALA A 131 -5.277 4.991 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.677 3.034 0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.227 3.379 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.736 2.584 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.322 4.315 -1.377 1.00 0.00 H new ATOM 110 N MET A 132 -4.180 4.917 1.684 1.00 0.00 N ATOM 111 CA MET A 132 -4.230 6.029 2.624 1.00 0.00 C ATOM 112 C MET A 132 -3.154 7.064 2.299 1.00 0.00 C ATOM 113 O MET A 132 -2.176 6.760 1.617 1.00 0.00 O ATOM 114 CB MET A 132 -4.052 5.518 4.057 1.00 0.00 C ATOM 115 CG MET A 132 -5.344 5.492 4.857 1.00 0.00 C ATOM 116 SD MET A 132 -5.138 6.123 6.534 1.00 0.00 S ATOM 117 CE MET A 132 -5.169 4.600 7.476 1.00 0.00 C ATOM 0 H MET A 132 -4.049 4.003 2.118 1.00 0.00 H new ATOM 0 HA MET A 132 -5.205 6.508 2.535 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.633 4.512 4.026 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.328 6.149 4.572 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.098 6.085 4.340 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.718 4.469 4.902 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.052 4.825 8.536 1.00 0.00 H new ATOM 0 HE2 MET A 132 -6.120 4.092 7.315 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.353 3.954 7.151 1.00 0.00 H new ATOM 127 N PRO A 133 -3.322 8.305 2.787 1.00 0.00 N ATOM 128 CA PRO A 133 -2.357 9.383 2.546 1.00 0.00 C ATOM 129 C PRO A 133 -0.984 9.068 3.129 1.00 0.00 C ATOM 130 O PRO A 133 0.033 9.582 2.663 1.00 0.00 O ATOM 131 CB PRO A 133 -2.976 10.593 3.254 1.00 0.00 C ATOM 132 CG PRO A 133 -3.939 10.018 4.235 1.00 0.00 C ATOM 133 CD PRO A 133 -4.455 8.752 3.612 1.00 0.00 C ATOM 0 HA PRO A 133 -2.187 9.543 1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.213 11.190 3.754 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.480 11.249 2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.451 9.814 5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.753 10.714 4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.723 8.011 4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.346 8.932 3.011 1.00 0.00 H new ATOM 141 N SER A 134 -0.962 8.219 4.152 1.00 0.00 N ATOM 142 CA SER A 134 0.287 7.834 4.799 1.00 0.00 C ATOM 143 C SER A 134 0.877 6.585 4.151 1.00 0.00 C ATOM 144 O SER A 134 2.092 6.395 4.145 1.00 0.00 O ATOM 145 CB SER A 134 0.057 7.588 6.292 1.00 0.00 C ATOM 146 OG SER A 134 1.182 7.988 7.054 1.00 0.00 O ATOM 0 H SER A 134 -1.795 7.785 4.550 1.00 0.00 H new ATOM 0 HA SER A 134 0.996 8.652 4.676 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.824 8.138 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.144 6.530 6.463 1.00 0.00 H new ATOM 0 HG SER A 134 1.009 7.822 8.004 1.00 0.00 H new ATOM 152 N VAL A 135 0.009 5.735 3.608 1.00 0.00 N ATOM 153 CA VAL A 135 0.451 4.506 2.962 1.00 0.00 C ATOM 154 C VAL A 135 1.210 4.798 1.680 1.00 0.00 C ATOM 155 O VAL A 135 2.287 4.256 1.449 1.00 0.00 O ATOM 156 CB VAL A 135 -0.729 3.577 2.636 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.242 2.304 1.954 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.503 3.254 3.901 1.00 0.00 C ATOM 0 H VAL A 135 -1.001 5.876 3.603 1.00 0.00 H new ATOM 0 HA VAL A 135 1.112 4.007 3.671 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.397 4.090 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.094 1.661 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.270 2.561 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.447 1.778 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.337 2.595 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.844 2.758 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.884 4.176 4.340 1.00 0.00 H new ATOM 168 N ARG A 136 0.644 5.658 0.849 1.00 0.00 N ATOM 169 CA ARG A 136 1.280 6.015 -0.410 1.00 0.00 C ATOM 170 C ARG A 136 2.696 6.515 -0.149 1.00 0.00 C ATOM 171 O ARG A 136 3.588 6.353 -0.979 1.00 0.00 O ATOM 172 CB ARG A 136 0.469 7.092 -1.135 1.00 0.00 C ATOM 173 CG ARG A 136 -0.976 6.698 -1.392 1.00 0.00 C ATOM 174 CD ARG A 136 -1.839 7.914 -1.696 1.00 0.00 C ATOM 175 NE ARG A 136 -2.094 8.061 -3.127 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.012 7.363 -3.792 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.764 6.470 -3.160 1.00 0.00 N ATOM 178 NH2 ARG A 136 -3.180 7.560 -5.093 1.00 0.00 N ATOM 0 H ARG A 136 -0.249 6.120 1.021 1.00 0.00 H new ATOM 0 HA ARG A 136 1.323 5.129 -1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.487 8.008 -0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.950 7.317 -2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.021 6.000 -2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.373 6.177 -0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.787 7.827 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.346 8.811 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.536 8.738 -3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.640 6.316 -2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.466 5.938 -3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.606 8.246 -5.583 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.883 7.025 -5.603 1.00 0.00 H new ATOM 192 N LYS A 137 2.892 7.106 1.027 1.00 0.00 N ATOM 193 CA LYS A 137 4.194 7.614 1.424 1.00 0.00 C ATOM 194 C LYS A 137 5.090 6.469 1.873 1.00 0.00 C ATOM 195 O LYS A 137 6.272 6.415 1.532 1.00 0.00 O ATOM 196 CB LYS A 137 4.046 8.638 2.551 1.00 0.00 C ATOM 197 CG LYS A 137 5.370 9.208 3.036 1.00 0.00 C ATOM 198 CD LYS A 137 5.499 9.113 4.548 1.00 0.00 C ATOM 199 CE LYS A 137 6.368 10.230 5.103 1.00 0.00 C ATOM 200 NZ LYS A 137 6.815 9.947 6.496 1.00 0.00 N ATOM 0 H LYS A 137 2.158 7.243 1.722 1.00 0.00 H new ATOM 0 HA LYS A 137 4.652 8.104 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.413 9.456 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.533 8.170 3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.193 8.670 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.453 10.250 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.509 9.160 5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.928 8.148 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.240 10.364 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.811 11.167 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.405 10.732 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 5.984 9.844 7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.368 9.067 6.511 1.00 0.00 H new ATOM 214 N TYR A 138 4.512 5.559 2.650 1.00 0.00 N ATOM 215 CA TYR A 138 5.249 4.416 3.162 1.00 0.00 C ATOM 216 C TYR A 138 5.709 3.512 2.025 1.00 0.00 C ATOM 217 O TYR A 138 6.878 3.137 1.951 1.00 0.00 O ATOM 218 CB TYR A 138 4.364 3.629 4.120 1.00 0.00 C ATOM 219 CG TYR A 138 5.019 2.372 4.635 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.197 2.428 5.367 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.467 1.127 4.373 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.805 1.276 5.826 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.066 -0.025 4.829 1.00 0.00 C ATOM 224 CZ TYR A 138 6.235 0.052 5.555 1.00 0.00 C ATOM 225 OH TYR A 138 6.836 -1.099 6.010 1.00 0.00 O ATOM 0 H TYR A 138 3.534 5.594 2.938 1.00 0.00 H new ATOM 0 HA TYR A 138 6.131 4.779 3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.098 4.265 4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.435 3.366 3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.645 3.387 5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.553 1.060 3.802 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.722 1.335 6.394 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.621 -0.986 4.619 1.00 0.00 H new ATOM 0 HH TYR A 138 6.306 -1.876 5.734 1.00 0.00 H new ATOM 235 N ALA A 139 4.790 3.192 1.124 1.00 0.00 N ATOM 236 CA ALA A 139 5.115 2.366 -0.025 1.00 0.00 C ATOM 237 C ALA A 139 6.086 3.121 -0.910 1.00 0.00 C ATOM 238 O ALA A 139 7.093 2.585 -1.355 1.00 0.00 O ATOM 239 CB ALA A 139 3.858 2.002 -0.801 1.00 0.00 C ATOM 0 H ALA A 139 3.816 3.492 1.168 1.00 0.00 H new ATOM 0 HA ALA A 139 5.574 1.437 0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.126 1.383 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.177 1.450 -0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.369 2.912 -1.149 1.00 0.00 H new ATOM 245 N ARG A 140 5.782 4.391 -1.136 1.00 0.00 N ATOM 246 CA ARG A 140 6.635 5.243 -1.949 1.00 0.00 C ATOM 247 C ARG A 140 8.063 5.232 -1.405 1.00 0.00 C ATOM 248 O ARG A 140 9.029 5.349 -2.160 1.00 0.00 O ATOM 249 CB ARG A 140 6.081 6.672 -1.967 1.00 0.00 C ATOM 250 CG ARG A 140 7.016 7.692 -2.601 1.00 0.00 C ATOM 251 CD ARG A 140 7.120 7.498 -4.106 1.00 0.00 C ATOM 252 NE ARG A 140 6.528 8.612 -4.842 1.00 0.00 N ATOM 253 CZ ARG A 140 6.799 8.886 -6.117 1.00 0.00 C ATOM 254 NH1 ARG A 140 7.649 8.131 -6.800 1.00 0.00 N ATOM 255 NH2 ARG A 140 6.218 9.921 -6.710 1.00 0.00 N ATOM 0 H ARG A 140 4.951 4.853 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 140 6.650 4.860 -2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.135 6.677 -2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.865 6.980 -0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.656 8.698 -2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 140 8.006 7.606 -2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 140 8.168 7.394 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.621 6.571 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 140 5.868 9.215 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 140 8.100 7.335 -6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 140 7.852 8.347 -7.776 1.00 0.00 H new ATOM 0 HH21 ARG A 140 5.564 10.506 -6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 140 6.425 10.132 -7.686 1.00 0.00 H new ATOM 269 N GLU A 141 8.186 5.083 -0.088 1.00 0.00 N ATOM 270 CA GLU A 141 9.485 5.047 0.565 1.00 0.00 C ATOM 271 C GLU A 141 10.077 3.646 0.529 1.00 0.00 C ATOM 272 O GLU A 141 11.284 3.471 0.369 1.00 0.00 O ATOM 273 CB GLU A 141 9.356 5.519 2.013 1.00 0.00 C ATOM 274 CG GLU A 141 9.234 7.026 2.156 1.00 0.00 C ATOM 275 CD GLU A 141 10.576 7.729 2.092 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.300 7.535 1.094 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.903 8.471 3.041 1.00 0.00 O ATOM 0 H GLU A 141 7.395 4.985 0.548 1.00 0.00 H new ATOM 0 HA GLU A 141 10.155 5.716 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.482 5.048 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.226 5.179 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.588 7.411 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.751 7.259 3.105 1.00 0.00 H new ATOM 284 N LYS A 142 9.216 2.651 0.698 1.00 0.00 N ATOM 285 CA LYS A 142 9.638 1.259 0.707 1.00 0.00 C ATOM 286 C LYS A 142 9.755 0.688 -0.708 1.00 0.00 C ATOM 287 O LYS A 142 9.607 -0.518 -0.903 1.00 0.00 O ATOM 288 CB LYS A 142 8.632 0.438 1.514 1.00 0.00 C ATOM 289 CG LYS A 142 8.592 0.773 3.002 1.00 0.00 C ATOM 290 CD LYS A 142 9.974 1.072 3.563 1.00 0.00 C ATOM 291 CE LYS A 142 9.904 1.472 5.026 1.00 0.00 C ATOM 292 NZ LYS A 142 11.232 1.892 5.552 1.00 0.00 N ATOM 0 H LYS A 142 8.214 2.785 0.832 1.00 0.00 H new ATOM 0 HA LYS A 142 10.626 1.206 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.638 0.589 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.869 -0.620 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.943 1.634 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.153 -0.062 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.610 0.194 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.436 1.873 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.192 2.288 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.529 0.634 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.141 2.157 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.906 1.105 5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.578 2.708 5.008 1.00 0.00 H new ATOM 306 N GLY A 143 10.013 1.548 -1.694 1.00 0.00 N ATOM 307 CA GLY A 143 10.131 1.075 -3.068 1.00 0.00 C ATOM 308 C GLY A 143 8.914 0.276 -3.502 1.00 0.00 C ATOM 309 O GLY A 143 8.982 -0.534 -4.426 1.00 0.00 O ATOM 0 H GLY A 143 10.141 2.552 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.262 1.927 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.023 0.456 -3.163 1.00 0.00 H new ATOM 313 N VAL A 144 7.803 0.509 -2.815 1.00 0.00 N ATOM 314 CA VAL A 144 6.547 -0.172 -3.086 1.00 0.00 C ATOM 315 C VAL A 144 5.543 0.767 -3.740 1.00 0.00 C ATOM 316 O VAL A 144 5.382 1.913 -3.321 1.00 0.00 O ATOM 317 CB VAL A 144 5.927 -0.698 -1.779 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.627 -1.434 -2.053 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.908 -1.587 -1.035 1.00 0.00 C ATOM 0 H VAL A 144 7.749 1.181 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 144 6.768 -0.999 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 144 5.700 0.159 -1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.209 -1.796 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.918 -0.756 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.820 -2.279 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.447 -1.947 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.177 -2.437 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.805 -1.017 -0.793 1.00 0.00 H new ATOM 329 N ASP A 145 4.847 0.259 -4.743 1.00 0.00 N ATOM 330 CA ASP A 145 3.829 1.028 -5.431 1.00 0.00 C ATOM 331 C ASP A 145 2.482 0.363 -5.208 1.00 0.00 C ATOM 332 O ASP A 145 2.333 -0.835 -5.431 1.00 0.00 O ATOM 333 CB ASP A 145 4.139 1.129 -6.926 1.00 0.00 C ATOM 334 CG ASP A 145 3.312 2.196 -7.616 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.098 2.280 -7.336 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.878 2.947 -8.437 1.00 0.00 O ATOM 0 H ASP A 145 4.971 -0.689 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 145 3.809 2.042 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.198 1.350 -7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.952 0.165 -7.399 1.00 0.00 H new ATOM 341 N ILE A 146 1.510 1.133 -4.745 1.00 0.00 N ATOM 342 CA ILE A 146 0.180 0.599 -4.474 1.00 0.00 C ATOM 343 C ILE A 146 -0.332 -0.257 -5.633 1.00 0.00 C ATOM 344 O ILE A 146 -1.152 -1.154 -5.436 1.00 0.00 O ATOM 345 CB ILE A 146 -0.834 1.726 -4.194 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.276 2.713 -3.165 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.153 1.145 -3.707 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.052 2.077 -1.831 1.00 0.00 C ATOM 0 H ILE A 146 1.614 2.128 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 146 0.274 -0.027 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.012 2.264 -5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.625 3.175 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -1.002 3.511 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.858 1.954 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.562 0.482 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.986 0.583 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.442 2.836 -1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.851 1.639 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.801 1.298 -1.974 1.00 0.00 H new ATOM 360 N ARG A 147 0.165 0.011 -6.840 1.00 0.00 N ATOM 361 CA ARG A 147 -0.249 -0.746 -8.018 1.00 0.00 C ATOM 362 C ARG A 147 0.142 -2.211 -7.873 1.00 0.00 C ATOM 363 O ARG A 147 -0.584 -3.110 -8.298 1.00 0.00 O ATOM 364 CB ARG A 147 0.384 -0.157 -9.279 1.00 0.00 C ATOM 365 CG ARG A 147 -0.472 0.904 -9.953 1.00 0.00 C ATOM 366 CD ARG A 147 0.381 1.912 -10.706 1.00 0.00 C ATOM 367 NE ARG A 147 -0.254 3.227 -10.768 1.00 0.00 N ATOM 368 CZ ARG A 147 0.180 4.224 -11.536 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.247 4.061 -12.308 1.00 0.00 N ATOM 370 NH2 ARG A 147 -0.456 5.388 -11.532 1.00 0.00 N ATOM 0 H ARG A 147 0.851 0.743 -7.026 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.333 -0.680 -8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.350 0.278 -9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.576 -0.962 -9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.168 0.427 -10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.071 1.421 -9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.352 2.001 -10.219 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.563 1.549 -11.718 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.078 3.390 -10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.740 3.168 -12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.574 4.829 -12.894 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.277 5.519 -10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.124 6.152 -12.120 1.00 0.00 H new ATOM 384 N LEU A 148 1.293 -2.434 -7.261 1.00 0.00 N ATOM 385 CA LEU A 148 1.809 -3.773 -7.033 1.00 0.00 C ATOM 386 C LEU A 148 1.284 -4.339 -5.715 1.00 0.00 C ATOM 387 O LEU A 148 1.516 -5.505 -5.396 1.00 0.00 O ATOM 388 CB LEU A 148 3.339 -3.744 -7.009 1.00 0.00 C ATOM 389 CG LEU A 148 3.978 -2.566 -7.747 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.486 -2.585 -7.596 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.589 -2.584 -9.217 1.00 0.00 C ATOM 0 H LEU A 148 1.896 -1.691 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 148 1.470 -4.415 -7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.670 -3.725 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.711 -4.671 -7.445 1.00 0.00 H new ATOM 0 HG LEU A 148 3.605 -1.644 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.916 -1.737 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.747 -2.519 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.881 -3.513 -8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.052 -1.739 -9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.930 -3.514 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.505 -2.512 -9.307 1.00 0.00 H new ATOM 403 N VAL A 149 0.588 -3.504 -4.945 1.00 0.00 N ATOM 404 CA VAL A 149 0.052 -3.925 -3.658 1.00 0.00 C ATOM 405 C VAL A 149 -1.473 -3.922 -3.663 1.00 0.00 C ATOM 406 O VAL A 149 -2.102 -2.867 -3.729 1.00 0.00 O ATOM 407 CB VAL A 149 0.553 -3.011 -2.521 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.387 -3.691 -1.173 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.005 -2.611 -2.747 1.00 0.00 C ATOM 0 H VAL A 149 0.384 -2.535 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 149 0.405 -4.942 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.052 -2.105 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.746 -3.029 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.666 -3.915 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.962 -4.617 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.336 -1.967 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.628 -3.505 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.092 -2.075 -3.692 1.00 0.00 H new ATOM 419 N GLN A 150 -2.057 -5.113 -3.586 1.00 0.00 N ATOM 420 CA GLN A 150 -3.508 -5.252 -3.575 1.00 0.00 C ATOM 421 C GLN A 150 -4.072 -4.866 -2.211 1.00 0.00 C ATOM 422 O GLN A 150 -3.976 -5.630 -1.251 1.00 0.00 O ATOM 423 CB GLN A 150 -3.902 -6.690 -3.920 1.00 0.00 C ATOM 424 CG GLN A 150 -4.865 -6.793 -5.091 1.00 0.00 C ATOM 425 CD GLN A 150 -4.791 -8.136 -5.790 1.00 0.00 C ATOM 426 OE1 GLN A 150 -3.793 -8.460 -6.435 1.00 0.00 O ATOM 427 NE2 GLN A 150 -5.850 -8.927 -5.665 1.00 0.00 N ATOM 0 H GLN A 150 -1.548 -5.995 -3.530 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.926 -4.581 -4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.001 -7.259 -4.150 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.357 -7.153 -3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.882 -6.628 -4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.645 -6.002 -5.808 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -6.656 -8.618 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -5.858 -9.843 -6.113 1.00 0.00 H new ATOM 436 N GLY A 151 -4.654 -3.674 -2.130 1.00 0.00 N ATOM 437 CA GLY A 151 -5.214 -3.211 -0.878 1.00 0.00 C ATOM 438 C GLY A 151 -6.580 -3.801 -0.591 1.00 0.00 C ATOM 439 O GLY A 151 -7.399 -3.955 -1.496 1.00 0.00 O ATOM 0 H GLY A 151 -4.747 -3.022 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.535 -3.467 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.290 -2.124 -0.899 1.00 0.00 H new ATOM 443 N THR A 152 -6.823 -4.129 0.673 1.00 0.00 N ATOM 444 CA THR A 152 -8.099 -4.700 1.087 1.00 0.00 C ATOM 445 C THR A 152 -8.800 -3.788 2.092 1.00 0.00 C ATOM 446 O THR A 152 -9.592 -4.249 2.914 1.00 0.00 O ATOM 447 CB THR A 152 -7.885 -6.087 1.697 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.559 -6.224 2.178 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.137 -7.216 0.721 1.00 0.00 C ATOM 0 H THR A 152 -6.151 -4.009 1.431 1.00 0.00 H new ATOM 0 HA THR A 152 -8.733 -4.794 0.206 1.00 0.00 H new ATOM 0 HB THR A 152 -8.610 -6.160 2.508 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.442 -7.116 2.566 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.967 -8.171 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.167 -7.169 0.368 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.458 -7.122 -0.127 1.00 0.00 H new ATOM 457 N GLY A 153 -8.494 -2.496 2.027 1.00 0.00 N ATOM 458 CA GLY A 153 -9.092 -1.542 2.944 1.00 0.00 C ATOM 459 C GLY A 153 -10.457 -1.060 2.492 1.00 0.00 C ATOM 460 O GLY A 153 -10.560 -0.154 1.664 1.00 0.00 O ATOM 0 H GLY A 153 -7.842 -2.092 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.183 -2.001 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.428 -0.685 3.052 1.00 0.00 H new ATOM 464 N LYS A 154 -11.504 -1.661 3.049 1.00 0.00 N ATOM 465 CA LYS A 154 -12.879 -1.291 2.719 1.00 0.00 C ATOM 466 C LYS A 154 -13.170 -1.461 1.228 1.00 0.00 C ATOM 467 O LYS A 154 -13.792 -2.440 0.819 1.00 0.00 O ATOM 468 CB LYS A 154 -13.160 0.150 3.155 1.00 0.00 C ATOM 469 CG LYS A 154 -14.625 0.416 3.465 1.00 0.00 C ATOM 470 CD LYS A 154 -14.873 0.499 4.963 1.00 0.00 C ATOM 471 CE LYS A 154 -14.916 1.942 5.443 1.00 0.00 C ATOM 472 NZ LYS A 154 -16.069 2.191 6.350 1.00 0.00 N ATOM 0 H LYS A 154 -11.427 -2.411 3.736 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.541 -1.965 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.563 0.377 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.834 0.829 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.934 1.348 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -15.238 -0.377 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.815 0.006 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.087 -0.038 5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.988 2.180 5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.980 2.609 4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -16.063 3.185 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.956 1.989 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -15.995 1.573 7.183 1.00 0.00 H new ATOM 486 N ASN A 155 -12.722 -0.503 0.419 1.00 0.00 N ATOM 487 CA ASN A 155 -12.945 -0.556 -1.021 1.00 0.00 C ATOM 488 C ASN A 155 -11.701 -1.051 -1.749 1.00 0.00 C ATOM 489 O ASN A 155 -11.420 -0.635 -2.874 1.00 0.00 O ATOM 490 CB ASN A 155 -13.340 0.825 -1.547 1.00 0.00 C ATOM 491 CG ASN A 155 -14.747 1.218 -1.139 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.660 1.241 -1.964 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.927 1.531 0.139 1.00 0.00 N ATOM 0 H ASN A 155 -12.204 0.316 0.737 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.757 -1.258 -1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.635 1.568 -1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.265 0.832 -2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.852 1.804 0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.141 1.498 0.788 1.00 0.00 H new ATOM 500 N GLY A 156 -10.959 -1.941 -1.102 1.00 0.00 N ATOM 501 CA GLY A 156 -9.754 -2.477 -1.704 1.00 0.00 C ATOM 502 C GLY A 156 -8.583 -1.517 -1.619 1.00 0.00 C ATOM 503 O GLY A 156 -7.671 -1.567 -2.443 1.00 0.00 O ATOM 0 H GLY A 156 -11.170 -2.301 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.490 -3.411 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.949 -2.714 -2.750 1.00 0.00 H new ATOM 507 N ARG A 157 -8.610 -0.641 -0.620 1.00 0.00 N ATOM 508 CA ARG A 157 -7.541 0.334 -0.430 1.00 0.00 C ATOM 509 C ARG A 157 -6.347 -0.301 0.273 1.00 0.00 C ATOM 510 O ARG A 157 -6.510 -1.117 1.179 1.00 0.00 O ATOM 511 CB ARG A 157 -8.058 1.528 0.378 1.00 0.00 C ATOM 512 CG ARG A 157 -7.007 2.594 0.633 1.00 0.00 C ATOM 513 CD ARG A 157 -7.615 3.840 1.258 1.00 0.00 C ATOM 514 NE ARG A 157 -7.545 3.811 2.717 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.461 3.240 3.497 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.519 2.641 2.963 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.318 3.266 4.814 1.00 0.00 N ATOM 0 H ARG A 157 -9.359 -0.586 0.070 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.214 0.682 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.898 1.978 -0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.439 1.170 1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.235 2.195 1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.520 2.858 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.094 4.723 0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.656 3.931 0.947 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.745 4.256 3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.634 2.616 1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.217 2.206 3.566 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.507 3.723 5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.019 2.829 5.412 1.00 0.00 H new ATOM 531 N VAL A 158 -5.145 0.071 -0.155 1.00 0.00 N ATOM 532 CA VAL A 158 -3.927 -0.475 0.432 1.00 0.00 C ATOM 533 C VAL A 158 -3.670 0.098 1.820 1.00 0.00 C ATOM 534 O VAL A 158 -3.822 1.297 2.054 1.00 0.00 O ATOM 535 CB VAL A 158 -2.693 -0.213 -0.462 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.397 -0.441 0.306 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.728 -1.100 -1.693 1.00 0.00 C ATOM 0 H VAL A 158 -4.989 0.746 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.081 -1.551 0.513 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.727 0.830 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.547 -0.249 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.357 0.235 1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.359 -1.472 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.852 -0.901 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.727 -2.146 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.631 -0.890 -2.267 1.00 0.00 H new ATOM 547 N LEU A 159 -3.259 -0.777 2.725 1.00 0.00 N ATOM 548 CA LEU A 159 -2.948 -0.388 4.091 1.00 0.00 C ATOM 549 C LEU A 159 -1.453 -0.530 4.337 1.00 0.00 C ATOM 550 O LEU A 159 -0.765 -1.229 3.597 1.00 0.00 O ATOM 551 CB LEU A 159 -3.725 -1.264 5.077 1.00 0.00 C ATOM 552 CG LEU A 159 -5.249 -1.090 5.050 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.874 -1.671 6.309 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.625 0.378 4.897 1.00 0.00 C ATOM 0 H LEU A 159 -3.132 -1.771 2.535 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.239 0.652 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.492 -2.309 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.369 -1.051 6.085 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.637 -1.632 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.955 -1.539 6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.640 -2.734 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.475 -1.158 7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.710 0.476 4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.222 0.946 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.212 0.764 3.965 1.00 0.00 H new ATOM 566 N LYS A 160 -0.942 0.122 5.375 1.00 0.00 N ATOM 567 CA LYS A 160 0.480 0.024 5.678 1.00 0.00 C ATOM 568 C LYS A 160 0.869 -1.436 5.858 1.00 0.00 C ATOM 569 O LYS A 160 1.977 -1.845 5.512 1.00 0.00 O ATOM 570 CB LYS A 160 0.834 0.826 6.930 1.00 0.00 C ATOM 571 CG LYS A 160 2.331 0.913 7.188 1.00 0.00 C ATOM 572 CD LYS A 160 2.685 0.453 8.595 1.00 0.00 C ATOM 573 CE LYS A 160 3.957 -0.379 8.607 1.00 0.00 C ATOM 574 NZ LYS A 160 5.176 0.471 8.703 1.00 0.00 N ATOM 0 H LYS A 160 -1.479 0.713 6.010 1.00 0.00 H new ATOM 0 HA LYS A 160 1.039 0.445 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.430 1.834 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.350 0.370 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.862 0.300 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.666 1.940 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.811 1.321 9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 160 1.862 -0.133 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 160 3.930 -1.071 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.005 -0.982 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.835 0.056 9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 5.637 0.524 7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.909 1.428 9.011 1.00 0.00 H new ATOM 588 N GLU A 161 -0.067 -2.227 6.379 1.00 0.00 N ATOM 589 CA GLU A 161 0.165 -3.648 6.574 1.00 0.00 C ATOM 590 C GLU A 161 0.360 -4.316 5.220 1.00 0.00 C ATOM 591 O GLU A 161 1.162 -5.238 5.075 1.00 0.00 O ATOM 592 CB GLU A 161 -1.011 -4.290 7.316 1.00 0.00 C ATOM 593 CG GLU A 161 -1.444 -3.517 8.551 1.00 0.00 C ATOM 594 CD GLU A 161 -2.951 -3.419 8.678 1.00 0.00 C ATOM 595 OE1 GLU A 161 -3.591 -2.879 7.752 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.493 -3.883 9.704 1.00 0.00 O ATOM 0 H GLU A 161 -0.989 -1.905 6.672 1.00 0.00 H new ATOM 0 HA GLU A 161 1.062 -3.783 7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.858 -4.374 6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.736 -5.303 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.039 -4.002 9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.020 -2.513 8.514 1.00 0.00 H new ATOM 603 N ASP A 162 -0.374 -3.822 4.225 1.00 0.00 N ATOM 604 CA ASP A 162 -0.275 -4.345 2.870 1.00 0.00 C ATOM 605 C ASP A 162 1.109 -4.062 2.302 1.00 0.00 C ATOM 606 O ASP A 162 1.772 -4.950 1.766 1.00 0.00 O ATOM 607 CB ASP A 162 -1.344 -3.714 1.978 1.00 0.00 C ATOM 608 CG ASP A 162 -2.677 -4.429 2.068 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.696 -5.669 1.922 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.701 -3.748 2.286 1.00 0.00 O ATOM 0 H ASP A 162 -1.043 -3.060 4.335 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.434 -5.423 2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.477 -2.670 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.000 -3.723 0.944 1.00 0.00 H new ATOM 615 N ILE A 163 1.540 -2.812 2.441 1.00 0.00 N ATOM 616 CA ILE A 163 2.853 -2.387 1.961 1.00 0.00 C ATOM 617 C ILE A 163 3.948 -3.299 2.503 1.00 0.00 C ATOM 618 O ILE A 163 4.752 -3.842 1.744 1.00 0.00 O ATOM 619 CB ILE A 163 3.171 -0.942 2.398 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.036 0.001 2.009 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.490 -0.474 1.787 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.743 -0.004 0.534 1.00 0.00 C ATOM 0 H ILE A 163 0.997 -2.071 2.884 1.00 0.00 H new ATOM 0 HA ILE A 163 2.824 -2.441 0.873 1.00 0.00 H new ATOM 0 HB ILE A 163 3.271 -0.928 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.135 -0.281 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.291 1.014 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.697 0.547 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.297 -1.128 2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.419 -0.506 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.927 0.687 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.632 0.307 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.458 -1.009 0.223 1.00 0.00 H new ATOM 634 N ASP A 164 3.973 -3.457 3.821 1.00 0.00 N ATOM 635 CA ASP A 164 4.968 -4.299 4.472 1.00 0.00 C ATOM 636 C ASP A 164 4.901 -5.730 3.943 1.00 0.00 C ATOM 637 O ASP A 164 5.924 -6.335 3.628 1.00 0.00 O ATOM 638 CB ASP A 164 4.762 -4.291 5.987 1.00 0.00 C ATOM 639 CG ASP A 164 6.071 -4.357 6.749 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.011 -5.018 6.259 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.158 -3.744 7.835 1.00 0.00 O ATOM 0 H ASP A 164 3.314 -3.012 4.460 1.00 0.00 H new ATOM 0 HA ASP A 164 5.954 -3.894 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.224 -3.387 6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.137 -5.138 6.270 1.00 0.00 H new ATOM 646 N ALA A 165 3.685 -6.263 3.850 1.00 0.00 N ATOM 647 CA ALA A 165 3.481 -7.621 3.359 1.00 0.00 C ATOM 648 C ALA A 165 4.002 -7.774 1.934 1.00 0.00 C ATOM 649 O ALA A 165 4.544 -8.816 1.568 1.00 0.00 O ATOM 650 CB ALA A 165 2.006 -7.990 3.428 1.00 0.00 C ATOM 0 H ALA A 165 2.828 -5.775 4.108 1.00 0.00 H new ATOM 0 HA ALA A 165 4.045 -8.301 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.867 -9.006 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.664 -7.930 4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.429 -7.299 2.814 1.00 0.00 H new ATOM 656 N TRP A 166 3.839 -6.722 1.137 1.00 0.00 N ATOM 657 CA TRP A 166 4.296 -6.727 -0.243 1.00 0.00 C ATOM 658 C TRP A 166 5.800 -6.951 -0.306 1.00 0.00 C ATOM 659 O TRP A 166 6.277 -7.890 -0.943 1.00 0.00 O ATOM 660 CB TRP A 166 3.938 -5.396 -0.897 1.00 0.00 C ATOM 661 CG TRP A 166 4.177 -5.366 -2.372 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.367 -5.855 -3.353 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.311 -4.807 -3.030 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.936 -5.634 -4.584 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.131 -4.993 -4.410 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.461 -4.168 -2.580 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.063 -4.561 -5.347 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.388 -3.736 -3.508 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.184 -3.934 -4.879 1.00 0.00 C ATOM 0 H TRP A 166 3.391 -5.853 1.428 1.00 0.00 H new ATOM 0 HA TRP A 166 3.806 -7.540 -0.778 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.888 -5.178 -0.704 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.520 -4.603 -0.428 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.418 -6.344 -3.187 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.533 -5.904 -5.481 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.626 -4.012 -1.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.907 -4.715 -6.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.285 -3.237 -3.171 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.927 -3.584 -5.581 1.00 0.00 H new ATOM 680 N LEU A 167 6.537 -6.078 0.368 1.00 0.00 N ATOM 681 CA LEU A 167 7.995 -6.165 0.406 1.00 0.00 C ATOM 682 C LEU A 167 8.449 -7.539 0.887 1.00 0.00 C ATOM 683 O LEU A 167 9.494 -8.040 0.471 1.00 0.00 O ATOM 684 CB LEU A 167 8.565 -5.078 1.320 1.00 0.00 C ATOM 685 CG LEU A 167 8.339 -3.647 0.831 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.770 -2.780 1.945 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.630 -3.047 0.290 1.00 0.00 C ATOM 0 H LEU A 167 6.149 -5.298 0.898 1.00 0.00 H new ATOM 0 HA LEU A 167 8.369 -6.015 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.119 -5.184 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.636 -5.243 1.434 1.00 0.00 H new ATOM 0 HG LEU A 167 7.614 -3.679 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.617 -1.766 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.817 -3.193 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.468 -2.759 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.443 -2.029 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.383 -3.033 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.989 -3.649 -0.544 1.00 0.00 H new ATOM 699 N ALA A 168 7.657 -8.144 1.766 1.00 0.00 N ATOM 700 CA ALA A 168 7.978 -9.461 2.304 1.00 0.00 C ATOM 701 C ALA A 168 7.732 -10.555 1.269 1.00 0.00 C ATOM 702 O ALA A 168 8.338 -11.624 1.328 1.00 0.00 O ATOM 703 CB ALA A 168 7.165 -9.729 3.561 1.00 0.00 C ATOM 0 H ALA A 168 6.789 -7.744 2.121 1.00 0.00 H new ATOM 0 HA ALA A 168 9.038 -9.472 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.414 -10.715 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.395 -8.972 4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.102 -9.692 3.322 1.00 0.00 H new