USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=3 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 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 138 TYR OH : rot 180:sc= 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= -0.23 X(o=-0.23,f=-0.023) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.515 3.060 -5.259 1.00 0.00 N ATOM 82 CA ILE A 130 -6.273 3.093 -4.015 1.00 0.00 C ATOM 83 C ILE A 130 -5.376 2.805 -2.820 1.00 0.00 C ATOM 84 O ILE A 130 -4.882 1.689 -2.649 1.00 0.00 O ATOM 85 CB ILE A 130 -7.434 2.082 -4.035 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.269 2.276 -5.294 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.304 2.244 -2.798 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.815 1.428 -6.461 1.00 0.00 C ATOM 0 HA ILE A 130 -6.684 4.098 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.020 1.074 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.309 2.042 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.234 3.326 -5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.119 1.521 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.702 2.074 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.715 3.253 -2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.456 1.620 -7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.785 1.678 -6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.876 0.374 -6.190 1.00 0.00 H new ATOM 100 N ALA A 131 -5.174 3.822 -1.995 1.00 0.00 N ATOM 101 CA ALA A 131 -4.335 3.690 -0.811 1.00 0.00 C ATOM 102 C ALA A 131 -4.457 4.910 0.092 1.00 0.00 C ATOM 103 O ALA A 131 -4.747 6.014 -0.372 1.00 0.00 O ATOM 104 CB ALA A 131 -2.884 3.476 -1.213 1.00 0.00 C ATOM 0 H ALA A 131 -5.580 4.749 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.680 2.821 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.269 3.379 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.802 2.568 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.540 4.328 -1.799 1.00 0.00 H new ATOM 110 N MET A 132 -4.230 4.704 1.384 1.00 0.00 N ATOM 111 CA MET A 132 -4.308 5.785 2.357 1.00 0.00 C ATOM 112 C MET A 132 -3.287 6.876 2.035 1.00 0.00 C ATOM 113 O MET A 132 -2.308 6.629 1.331 1.00 0.00 O ATOM 114 CB MET A 132 -4.066 5.237 3.765 1.00 0.00 C ATOM 115 CG MET A 132 -5.307 4.639 4.410 1.00 0.00 C ATOM 116 SD MET A 132 -6.377 5.883 5.157 1.00 0.00 S ATOM 117 CE MET A 132 -5.605 6.076 6.762 1.00 0.00 C ATOM 0 H MET A 132 -3.990 3.796 1.782 1.00 0.00 H new ATOM 0 HA MET A 132 -5.305 6.223 2.310 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.288 4.475 3.720 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.689 6.040 4.398 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.871 4.086 3.658 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.004 3.922 5.173 1.00 0.00 H new ATOM 0 HE1 MET A 132 -6.155 6.816 7.344 1.00 0.00 H new ATOM 0 HE2 MET A 132 -5.615 5.121 7.288 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.575 6.409 6.633 1.00 0.00 H new ATOM 127 N PRO A 133 -3.503 8.101 2.545 1.00 0.00 N ATOM 128 CA PRO A 133 -2.593 9.225 2.304 1.00 0.00 C ATOM 129 C PRO A 133 -1.216 8.994 2.917 1.00 0.00 C ATOM 130 O PRO A 133 -0.216 9.529 2.440 1.00 0.00 O ATOM 131 CB PRO A 133 -3.290 10.410 2.982 1.00 0.00 C ATOM 132 CG PRO A 133 -4.207 9.797 3.983 1.00 0.00 C ATOM 133 CD PRO A 133 -4.643 8.485 3.395 1.00 0.00 C ATOM 0 HA PRO A 133 -2.411 9.378 1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.568 11.071 3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.841 11.011 2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.701 9.648 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.064 10.443 4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.837 7.742 4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.560 8.589 2.815 1.00 0.00 H new ATOM 141 N SER A 134 -1.173 8.193 3.977 1.00 0.00 N ATOM 142 CA SER A 134 0.082 7.889 4.654 1.00 0.00 C ATOM 143 C SER A 134 0.728 6.639 4.066 1.00 0.00 C ATOM 144 O SER A 134 1.953 6.521 4.022 1.00 0.00 O ATOM 145 CB SER A 134 -0.157 7.696 6.153 1.00 0.00 C ATOM 146 OG SER A 134 -0.351 8.940 6.803 1.00 0.00 O ATOM 0 H SER A 134 -1.992 7.743 4.385 1.00 0.00 H new ATOM 0 HA SER A 134 0.759 8.730 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.030 7.062 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.694 7.179 6.597 1.00 0.00 H new ATOM 0 HG SER A 134 -0.503 8.789 7.759 1.00 0.00 H new ATOM 152 N VAL A 135 -0.105 5.706 3.616 1.00 0.00 N ATOM 153 CA VAL A 135 0.383 4.464 3.031 1.00 0.00 C ATOM 154 C VAL A 135 1.142 4.727 1.743 1.00 0.00 C ATOM 155 O VAL A 135 2.232 4.196 1.534 1.00 0.00 O ATOM 156 CB VAL A 135 -0.768 3.484 2.751 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.282 2.280 1.955 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.402 3.048 4.056 1.00 0.00 C ATOM 0 H VAL A 135 -1.121 5.787 3.646 1.00 0.00 H new ATOM 0 HA VAL A 135 1.058 4.015 3.759 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.519 3.994 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.117 1.604 1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.129 2.615 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.490 1.758 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.217 2.354 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.654 2.556 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.792 3.920 4.580 1.00 0.00 H new ATOM 168 N ARG A 136 0.567 5.552 0.884 1.00 0.00 N ATOM 169 CA ARG A 136 1.204 5.884 -0.380 1.00 0.00 C ATOM 170 C ARG A 136 2.609 6.418 -0.125 1.00 0.00 C ATOM 171 O ARG A 136 3.502 6.273 -0.956 1.00 0.00 O ATOM 172 CB ARG A 136 0.378 6.924 -1.140 1.00 0.00 C ATOM 173 CG ARG A 136 -1.070 6.517 -1.351 1.00 0.00 C ATOM 174 CD ARG A 136 -2.000 7.719 -1.303 1.00 0.00 C ATOM 175 NE ARG A 136 -2.088 8.394 -2.595 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.520 9.644 -2.753 1.00 0.00 C ATOM 177 NH1 ARG A 136 -2.904 10.357 -1.701 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.567 10.181 -3.963 1.00 0.00 N ATOM 0 H ARG A 136 -0.335 6.002 1.037 1.00 0.00 H new ATOM 0 HA ARG A 136 1.267 4.982 -0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.405 7.867 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.841 7.104 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.171 6.016 -2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.362 5.799 -0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.994 7.396 -0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.645 8.422 -0.550 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.801 7.877 -3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.869 9.948 -0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.234 11.314 -1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.272 9.637 -4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.898 11.138 -4.084 1.00 0.00 H new ATOM 192 N LYS A 137 2.795 7.017 1.049 1.00 0.00 N ATOM 193 CA LYS A 137 4.087 7.555 1.440 1.00 0.00 C ATOM 194 C LYS A 137 5.004 6.430 1.889 1.00 0.00 C ATOM 195 O LYS A 137 6.182 6.389 1.535 1.00 0.00 O ATOM 196 CB LYS A 137 3.922 8.581 2.563 1.00 0.00 C ATOM 197 CG LYS A 137 5.236 9.182 3.035 1.00 0.00 C ATOM 198 CD LYS A 137 5.364 9.131 4.551 1.00 0.00 C ATOM 199 CE LYS A 137 6.820 9.085 4.988 1.00 0.00 C ATOM 200 NZ LYS A 137 7.152 10.191 5.928 1.00 0.00 N ATOM 0 H LYS A 137 2.061 7.140 1.746 1.00 0.00 H new ATOM 0 HA LYS A 137 4.532 8.053 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.268 9.382 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.425 8.105 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.067 8.643 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.305 10.216 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.880 10.005 4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.841 8.254 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.025 8.128 5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.465 9.148 4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.153 10.125 6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.980 11.105 5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.555 10.117 6.776 1.00 0.00 H new ATOM 214 N TYR A 138 4.448 5.518 2.682 1.00 0.00 N ATOM 215 CA TYR A 138 5.208 4.389 3.193 1.00 0.00 C ATOM 216 C TYR A 138 5.673 3.492 2.055 1.00 0.00 C ATOM 217 O TYR A 138 6.848 3.134 1.975 1.00 0.00 O ATOM 218 CB TYR A 138 4.347 3.589 4.160 1.00 0.00 C ATOM 219 CG TYR A 138 5.032 2.345 4.669 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.196 2.426 5.422 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.522 1.087 4.381 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.831 1.286 5.873 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.149 -0.053 4.830 1.00 0.00 C ATOM 224 CZ TYR A 138 6.304 0.049 5.576 1.00 0.00 C ATOM 225 OH TYR A 138 6.933 -1.091 6.024 1.00 0.00 O ATOM 0 H TYR A 138 3.474 5.542 2.983 1.00 0.00 H new ATOM 0 HA TYR A 138 6.087 4.769 3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.078 4.221 5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.418 3.308 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.611 3.395 5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.619 1.001 3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.737 1.364 6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.738 -1.024 4.599 1.00 0.00 H new ATOM 0 HH TYR A 138 6.431 -1.879 5.729 1.00 0.00 H new ATOM 235 N ALA A 139 4.754 3.156 1.159 1.00 0.00 N ATOM 236 CA ALA A 139 5.087 2.333 0.011 1.00 0.00 C ATOM 237 C ALA A 139 6.049 3.097 -0.876 1.00 0.00 C ATOM 238 O ALA A 139 7.060 2.571 -1.323 1.00 0.00 O ATOM 239 CB ALA A 139 3.832 1.956 -0.764 1.00 0.00 C ATOM 0 H ALA A 139 3.776 3.441 1.207 1.00 0.00 H new ATOM 0 HA ALA A 139 5.556 1.410 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.105 1.339 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.157 1.398 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.334 2.861 -1.113 1.00 0.00 H new ATOM 245 N ARG A 140 5.733 4.364 -1.100 1.00 0.00 N ATOM 246 CA ARG A 140 6.577 5.224 -1.915 1.00 0.00 C ATOM 247 C ARG A 140 8.007 5.225 -1.375 1.00 0.00 C ATOM 248 O ARG A 140 8.968 5.351 -2.134 1.00 0.00 O ATOM 249 CB ARG A 140 6.010 6.648 -1.930 1.00 0.00 C ATOM 250 CG ARG A 140 6.893 7.659 -2.644 1.00 0.00 C ATOM 251 CD ARG A 140 6.601 7.700 -4.137 1.00 0.00 C ATOM 252 NE ARG A 140 6.345 9.060 -4.607 1.00 0.00 N ATOM 253 CZ ARG A 140 5.705 9.346 -5.738 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.254 8.371 -6.519 1.00 0.00 N ATOM 255 NH2 ARG A 140 5.514 10.610 -6.090 1.00 0.00 N ATOM 0 H ARG A 140 4.899 4.819 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 140 6.593 4.842 -2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.031 6.633 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.856 6.977 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.736 8.648 -2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.941 7.405 -2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.446 7.280 -4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.737 7.072 -4.355 1.00 0.00 H new ATOM 0 HE ARG A 140 6.677 9.836 -4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 140 5.398 7.397 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.764 8.596 -7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 140 5.858 11.363 -5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 140 5.023 10.829 -6.957 1.00 0.00 H new ATOM 269 N GLU A 141 8.136 5.076 -0.060 1.00 0.00 N ATOM 270 CA GLU A 141 9.439 5.052 0.589 1.00 0.00 C ATOM 271 C GLU A 141 10.044 3.656 0.551 1.00 0.00 C ATOM 272 O GLU A 141 11.251 3.492 0.377 1.00 0.00 O ATOM 273 CB GLU A 141 9.311 5.523 2.037 1.00 0.00 C ATOM 274 CG GLU A 141 9.159 7.028 2.181 1.00 0.00 C ATOM 275 CD GLU A 141 10.490 7.735 2.347 1.00 0.00 C ATOM 276 OE1 GLU A 141 10.994 7.792 3.488 1.00 0.00 O ATOM 277 OE2 GLU A 141 11.027 8.233 1.336 1.00 0.00 O ATOM 0 H GLU A 141 7.348 4.970 0.579 1.00 0.00 H new ATOM 0 HA GLU A 141 10.101 5.727 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.450 5.035 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.191 5.201 2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.649 7.424 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.527 7.245 3.042 1.00 0.00 H new ATOM 284 N LYS A 142 9.194 2.654 0.732 1.00 0.00 N ATOM 285 CA LYS A 142 9.626 1.265 0.741 1.00 0.00 C ATOM 286 C LYS A 142 9.749 0.693 -0.672 1.00 0.00 C ATOM 287 O LYS A 142 9.593 -0.513 -0.870 1.00 0.00 O ATOM 288 CB LYS A 142 8.624 0.436 1.547 1.00 0.00 C ATOM 289 CG LYS A 142 8.581 0.774 3.033 1.00 0.00 C ATOM 290 CD LYS A 142 9.963 1.065 3.597 1.00 0.00 C ATOM 291 CE LYS A 142 9.897 1.435 5.069 1.00 0.00 C ATOM 292 NZ LYS A 142 11.253 1.634 5.653 1.00 0.00 N ATOM 0 H LYS A 142 8.192 2.781 0.876 1.00 0.00 H new ATOM 0 HA LYS A 142 10.614 1.221 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.629 0.579 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.869 -0.620 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.938 1.640 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.135 -0.057 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.601 0.191 3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.422 1.879 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.313 2.348 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.377 0.650 5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.165 1.885 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.802 0.756 5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.740 2.401 5.146 1.00 0.00 H new ATOM 306 N GLY A 143 10.021 1.550 -1.657 1.00 0.00 N ATOM 307 CA GLY A 143 10.145 1.078 -3.031 1.00 0.00 C ATOM 308 C GLY A 143 8.926 0.288 -3.476 1.00 0.00 C ATOM 309 O GLY A 143 8.997 -0.521 -4.401 1.00 0.00 O ATOM 0 H GLY A 143 10.157 2.553 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.286 1.931 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.034 0.453 -3.120 1.00 0.00 H new ATOM 313 N VAL A 144 7.812 0.528 -2.798 1.00 0.00 N ATOM 314 CA VAL A 144 6.552 -0.143 -3.082 1.00 0.00 C ATOM 315 C VAL A 144 5.553 0.808 -3.719 1.00 0.00 C ATOM 316 O VAL A 144 5.391 1.946 -3.277 1.00 0.00 O ATOM 317 CB VAL A 144 5.927 -0.690 -1.785 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.632 -1.431 -2.079 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.909 -1.582 -1.046 1.00 0.00 C ATOM 0 H VAL A 144 7.757 1.198 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 144 6.772 -0.959 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 144 5.691 0.156 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.209 -1.808 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.923 -0.751 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.835 -2.266 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.445 -1.956 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.188 -2.422 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.800 -1.009 -0.791 1.00 0.00 H new ATOM 329 N ASP A 145 4.860 0.320 -4.732 1.00 0.00 N ATOM 330 CA ASP A 145 3.844 1.097 -5.408 1.00 0.00 C ATOM 331 C ASP A 145 2.500 0.423 -5.198 1.00 0.00 C ATOM 332 O ASP A 145 2.360 -0.775 -5.431 1.00 0.00 O ATOM 333 CB ASP A 145 4.159 1.224 -6.898 1.00 0.00 C ATOM 334 CG ASP A 145 3.366 2.331 -7.563 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.128 2.353 -7.404 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.983 3.176 -8.246 1.00 0.00 O ATOM 0 H ASP A 145 4.986 -0.621 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 145 3.818 2.105 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.224 1.416 -7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.944 0.278 -7.394 1.00 0.00 H new ATOM 341 N ILE A 146 1.522 1.180 -4.730 1.00 0.00 N ATOM 342 CA ILE A 146 0.197 0.634 -4.466 1.00 0.00 C ATOM 343 C ILE A 146 -0.306 -0.220 -5.631 1.00 0.00 C ATOM 344 O ILE A 146 -1.113 -1.128 -5.439 1.00 0.00 O ATOM 345 CB ILE A 146 -0.828 1.750 -4.183 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.311 2.703 -3.102 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.160 1.153 -3.759 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.096 2.037 -1.759 1.00 0.00 C ATOM 0 H ILE A 146 1.618 2.174 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 146 0.295 0.005 -3.582 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.973 2.317 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.630 3.141 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -1.020 3.522 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.872 1.955 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.542 0.514 -4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.022 0.561 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.271 2.772 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.039 1.623 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.636 1.236 -1.863 1.00 0.00 H new ATOM 360 N ARG A 147 0.177 0.067 -6.839 1.00 0.00 N ATOM 361 CA ARG A 147 -0.242 -0.689 -8.016 1.00 0.00 C ATOM 362 C ARG A 147 0.195 -2.145 -7.903 1.00 0.00 C ATOM 363 O ARG A 147 -0.514 -3.056 -8.333 1.00 0.00 O ATOM 364 CB ARG A 147 0.311 -0.055 -9.297 1.00 0.00 C ATOM 365 CG ARG A 147 1.807 -0.236 -9.485 1.00 0.00 C ATOM 366 CD ARG A 147 2.394 0.865 -10.354 1.00 0.00 C ATOM 367 NE ARG A 147 3.743 0.544 -10.811 1.00 0.00 N ATOM 368 CZ ARG A 147 4.008 -0.284 -11.819 1.00 0.00 C ATOM 369 NH1 ARG A 147 3.019 -0.875 -12.479 1.00 0.00 N ATOM 370 NH2 ARG A 147 5.265 -0.523 -12.168 1.00 0.00 N ATOM 0 H ARG A 147 0.851 0.809 -7.027 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.330 -0.661 -8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.206 -0.485 -10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.083 1.011 -9.289 1.00 0.00 H new ATOM 0 HG2 ARG A 147 2.300 -0.236 -8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 147 2.003 -1.206 -9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.749 1.028 -11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 147 2.415 1.798 -9.791 1.00 0.00 H new ATOM 0 HE ARG A 147 4.529 0.980 -10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.050 -0.695 -12.214 1.00 0.00 H new ATOM 0 HH12 ARG A 147 3.228 -1.509 -13.251 1.00 0.00 H new ATOM 0 HH21 ARG A 147 6.029 -0.072 -11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 147 5.468 -1.158 -12.940 1.00 0.00 H new ATOM 384 N LEU A 148 1.356 -2.354 -7.299 1.00 0.00 N ATOM 385 CA LEU A 148 1.893 -3.688 -7.094 1.00 0.00 C ATOM 386 C LEU A 148 1.340 -4.295 -5.807 1.00 0.00 C ATOM 387 O LEU A 148 1.563 -5.471 -5.521 1.00 0.00 O ATOM 388 CB LEU A 148 3.420 -3.639 -7.016 1.00 0.00 C ATOM 389 CG LEU A 148 4.082 -2.470 -7.751 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.571 -2.437 -7.470 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.823 -2.566 -9.246 1.00 0.00 C ATOM 0 H LEU A 148 1.949 -1.606 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 148 1.594 -4.308 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.711 -3.597 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.817 -4.570 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 148 3.644 -1.542 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.023 -1.599 -8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.737 -2.319 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 148 6.026 -3.368 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.301 -1.727 -9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.233 -3.501 -9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.749 -2.538 -9.432 1.00 0.00 H new ATOM 403 N VAL A 149 0.632 -3.482 -5.023 1.00 0.00 N ATOM 404 CA VAL A 149 0.071 -3.938 -3.759 1.00 0.00 C ATOM 405 C VAL A 149 -1.453 -3.931 -3.788 1.00 0.00 C ATOM 406 O VAL A 149 -2.077 -2.893 -4.007 1.00 0.00 O ATOM 407 CB VAL A 149 0.555 -3.056 -2.590 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.379 -3.777 -1.262 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.008 -2.641 -2.791 1.00 0.00 C ATOM 0 H VAL A 149 0.435 -2.506 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 149 0.417 -4.961 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.056 -2.154 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.727 -3.137 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.675 -4.012 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.959 -4.700 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.328 -2.020 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.636 -3.530 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.100 -2.076 -3.719 1.00 0.00 H new ATOM 419 N GLN A 150 -2.047 -5.097 -3.555 1.00 0.00 N ATOM 420 CA GLN A 150 -3.497 -5.228 -3.545 1.00 0.00 C ATOM 421 C GLN A 150 -4.057 -4.858 -2.176 1.00 0.00 C ATOM 422 O GLN A 150 -3.935 -5.623 -1.219 1.00 0.00 O ATOM 423 CB GLN A 150 -3.902 -6.658 -3.909 1.00 0.00 C ATOM 424 CG GLN A 150 -5.015 -6.730 -4.941 1.00 0.00 C ATOM 425 CD GLN A 150 -5.505 -8.145 -5.174 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.254 -8.737 -6.224 1.00 0.00 O ATOM 427 NE2 GLN A 150 -6.210 -8.697 -4.193 1.00 0.00 N ATOM 0 H GLN A 150 -1.544 -5.965 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.910 -4.545 -4.287 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.029 -7.188 -4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.221 -7.178 -3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.850 -6.110 -4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.659 -6.313 -5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -6.395 -8.171 -3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.566 -9.647 -4.293 1.00 0.00 H new ATOM 436 N GLY A 151 -4.660 -3.677 -2.083 1.00 0.00 N ATOM 437 CA GLY A 151 -5.214 -3.230 -0.823 1.00 0.00 C ATOM 438 C GLY A 151 -6.589 -3.801 -0.545 1.00 0.00 C ATOM 439 O GLY A 151 -7.409 -3.932 -1.453 1.00 0.00 O ATOM 0 H GLY A 151 -4.774 -3.024 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.539 -3.513 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.272 -2.142 -0.824 1.00 0.00 H new ATOM 443 N THR A 152 -6.837 -4.139 0.715 1.00 0.00 N ATOM 444 CA THR A 152 -8.121 -4.696 1.125 1.00 0.00 C ATOM 445 C THR A 152 -8.809 -3.785 2.141 1.00 0.00 C ATOM 446 O THR A 152 -9.605 -4.244 2.961 1.00 0.00 O ATOM 447 CB THR A 152 -7.927 -6.092 1.718 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.601 -6.255 2.191 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.201 -7.205 0.731 1.00 0.00 C ATOM 0 H THR A 152 -6.163 -4.037 1.473 1.00 0.00 H new ATOM 0 HA THR A 152 -8.758 -4.770 0.243 1.00 0.00 H new ATOM 0 HB THR A 152 -8.649 -6.164 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.496 -7.153 2.568 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.045 -8.168 1.216 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.232 -7.137 0.383 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.524 -7.113 -0.118 1.00 0.00 H new ATOM 457 N GLY A 153 -8.486 -2.495 2.091 1.00 0.00 N ATOM 458 CA GLY A 153 -9.070 -1.545 3.022 1.00 0.00 C ATOM 459 C GLY A 153 -10.345 -0.907 2.505 1.00 0.00 C ATOM 460 O GLY A 153 -10.337 -0.223 1.483 1.00 0.00 O ATOM 0 H GLY A 153 -7.830 -2.091 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.281 -2.052 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.342 -0.763 3.237 1.00 0.00 H new ATOM 464 N LYS A 154 -11.440 -1.122 3.227 1.00 0.00 N ATOM 465 CA LYS A 154 -12.735 -0.559 2.857 1.00 0.00 C ATOM 466 C LYS A 154 -13.157 -0.990 1.451 1.00 0.00 C ATOM 467 O LYS A 154 -13.928 -1.937 1.292 1.00 0.00 O ATOM 468 CB LYS A 154 -12.699 0.969 2.961 1.00 0.00 C ATOM 469 CG LYS A 154 -14.073 1.619 2.892 1.00 0.00 C ATOM 470 CD LYS A 154 -14.365 2.443 4.136 1.00 0.00 C ATOM 471 CE LYS A 154 -13.351 3.562 4.316 1.00 0.00 C ATOM 472 NZ LYS A 154 -13.917 4.890 3.947 1.00 0.00 N ATOM 0 H LYS A 154 -11.456 -1.686 4.077 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.477 -0.945 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.221 1.249 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.079 1.365 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.130 2.257 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.835 0.848 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.367 2.867 4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.353 1.796 5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.017 3.585 5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -12.473 3.358 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -13.194 5.625 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -14.213 4.876 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -14.739 5.096 4.549 1.00 0.00 H new ATOM 486 N ASN A 155 -12.658 -0.292 0.432 1.00 0.00 N ATOM 487 CA ASN A 155 -12.999 -0.611 -0.951 1.00 0.00 C ATOM 488 C ASN A 155 -11.779 -1.110 -1.719 1.00 0.00 C ATOM 489 O ASN A 155 -11.612 -0.810 -2.902 1.00 0.00 O ATOM 490 CB ASN A 155 -13.586 0.617 -1.649 1.00 0.00 C ATOM 491 CG ASN A 155 -12.633 1.796 -1.643 1.00 0.00 C ATOM 492 OD1 ASN A 155 -11.845 1.977 -2.570 1.00 0.00 O ATOM 493 ND2 ASN A 155 -12.702 2.607 -0.593 1.00 0.00 N ATOM 0 H ASN A 155 -12.018 0.495 0.539 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.744 -1.407 -0.937 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.837 0.361 -2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -14.515 0.902 -1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -12.086 3.418 -0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -13.371 2.419 0.154 1.00 0.00 H new ATOM 500 N GLY A 156 -10.929 -1.875 -1.042 1.00 0.00 N ATOM 501 CA GLY A 156 -9.738 -2.402 -1.681 1.00 0.00 C ATOM 502 C GLY A 156 -8.552 -1.462 -1.568 1.00 0.00 C ATOM 503 O GLY A 156 -7.648 -1.486 -2.404 1.00 0.00 O ATOM 0 H GLY A 156 -11.044 -2.139 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.482 -3.361 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.948 -2.591 -2.734 1.00 0.00 H new ATOM 507 N ARG A 157 -8.559 -0.631 -0.532 1.00 0.00 N ATOM 508 CA ARG A 157 -7.482 0.327 -0.306 1.00 0.00 C ATOM 509 C ARG A 157 -6.293 -0.346 0.369 1.00 0.00 C ATOM 510 O ARG A 157 -6.462 -1.169 1.268 1.00 0.00 O ATOM 511 CB ARG A 157 -7.988 1.485 0.558 1.00 0.00 C ATOM 512 CG ARG A 157 -7.196 2.773 0.392 1.00 0.00 C ATOM 513 CD ARG A 157 -8.116 3.978 0.272 1.00 0.00 C ATOM 514 NE ARG A 157 -7.445 5.223 0.640 1.00 0.00 N ATOM 515 CZ ARG A 157 -7.851 6.428 0.247 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.930 6.558 -0.515 1.00 0.00 N ATOM 517 NH2 ARG A 157 -7.178 7.509 0.620 1.00 0.00 N ATOM 0 H ARG A 157 -9.301 -0.601 0.167 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.155 0.714 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -9.032 1.679 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.957 1.184 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.530 2.905 1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.567 2.704 -0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.482 4.053 -0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.987 3.834 0.912 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.617 5.165 1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.454 5.731 -0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.236 7.485 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -6.350 7.416 1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -7.489 8.433 0.319 1.00 0.00 H new ATOM 531 N VAL A 158 -5.089 0.002 -0.073 1.00 0.00 N ATOM 532 CA VAL A 158 -3.877 -0.580 0.490 1.00 0.00 C ATOM 533 C VAL A 158 -3.535 0.046 1.837 1.00 0.00 C ATOM 534 O VAL A 158 -3.567 1.267 1.999 1.00 0.00 O ATOM 535 CB VAL A 158 -2.676 -0.430 -0.473 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.355 -0.601 0.262 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.780 -1.436 -1.607 1.00 0.00 C ATOM 0 H VAL A 158 -4.927 0.681 -0.816 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.075 -1.642 0.636 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.703 0.577 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.530 -0.490 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.272 0.157 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.316 -1.592 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.928 -1.319 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.784 -2.446 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.703 -1.266 -2.161 1.00 0.00 H new ATOM 547 N LEU A 159 -3.199 -0.807 2.797 1.00 0.00 N ATOM 548 CA LEU A 159 -2.839 -0.360 4.134 1.00 0.00 C ATOM 549 C LEU A 159 -1.340 -0.512 4.355 1.00 0.00 C ATOM 550 O LEU A 159 -0.664 -1.207 3.597 1.00 0.00 O ATOM 551 CB LEU A 159 -3.602 -1.178 5.181 1.00 0.00 C ATOM 552 CG LEU A 159 -5.120 -0.964 5.205 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.710 -1.473 6.509 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.466 0.505 5.000 1.00 0.00 C ATOM 0 H LEU A 159 -3.169 -1.819 2.671 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.106 0.692 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.404 -2.235 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.203 -0.938 6.166 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.555 -1.533 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.788 -1.313 6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.502 -2.538 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.264 -0.934 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.549 0.630 5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.016 1.099 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.081 0.838 4.036 1.00 0.00 H new ATOM 566 N LYS A 160 -0.814 0.123 5.396 1.00 0.00 N ATOM 567 CA LYS A 160 0.609 0.019 5.688 1.00 0.00 C ATOM 568 C LYS A 160 0.984 -1.443 5.885 1.00 0.00 C ATOM 569 O LYS A 160 2.077 -1.872 5.514 1.00 0.00 O ATOM 570 CB LYS A 160 0.980 0.832 6.929 1.00 0.00 C ATOM 571 CG LYS A 160 2.480 0.929 7.161 1.00 0.00 C ATOM 572 CD LYS A 160 2.853 0.545 8.585 1.00 0.00 C ATOM 573 CE LYS A 160 4.341 0.730 8.840 1.00 0.00 C ATOM 574 NZ LYS A 160 4.797 -0.027 10.037 1.00 0.00 N ATOM 0 H LYS A 160 -1.343 0.707 6.043 1.00 0.00 H new ATOM 0 HA LYS A 160 1.165 0.426 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.569 1.837 6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.513 0.379 7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.000 0.277 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.815 1.946 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.284 1.153 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.578 -0.494 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.903 0.400 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.557 1.790 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.816 0.125 10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.279 0.305 10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.615 -1.041 9.897 1.00 0.00 H new ATOM 588 N GLU A 161 0.054 -2.208 6.448 1.00 0.00 N ATOM 589 CA GLU A 161 0.269 -3.629 6.665 1.00 0.00 C ATOM 590 C GLU A 161 0.438 -4.319 5.315 1.00 0.00 C ATOM 591 O GLU A 161 1.237 -5.244 5.170 1.00 0.00 O ATOM 592 CB GLU A 161 -0.905 -4.230 7.458 1.00 0.00 C ATOM 593 CG GLU A 161 -1.541 -5.458 6.818 1.00 0.00 C ATOM 594 CD GLU A 161 -2.479 -6.186 7.761 1.00 0.00 C ATOM 595 OE1 GLU A 161 -2.048 -6.527 8.882 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.645 -6.417 7.376 1.00 0.00 O ATOM 0 H GLU A 161 -0.854 -1.865 6.761 1.00 0.00 H new ATOM 0 HA GLU A 161 1.174 -3.782 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -0.554 -4.497 8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -1.671 -3.465 7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.090 -5.155 5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.757 -6.141 6.492 1.00 0.00 H new ATOM 603 N ASP A 162 -0.311 -3.837 4.326 1.00 0.00 N ATOM 604 CA ASP A 162 -0.238 -4.381 2.978 1.00 0.00 C ATOM 605 C ASP A 162 1.137 -4.103 2.384 1.00 0.00 C ATOM 606 O ASP A 162 1.784 -4.993 1.832 1.00 0.00 O ATOM 607 CB ASP A 162 -1.323 -3.763 2.095 1.00 0.00 C ATOM 608 CG ASP A 162 -2.647 -4.493 2.202 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.655 -5.733 2.060 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.676 -3.822 2.428 1.00 0.00 O ATOM 0 H ASP A 162 -0.975 -3.070 4.436 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.398 -5.458 3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.464 -2.719 2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.990 -3.772 1.057 1.00 0.00 H new ATOM 615 N ILE A 163 1.575 -2.856 2.516 1.00 0.00 N ATOM 616 CA ILE A 163 2.878 -2.434 2.012 1.00 0.00 C ATOM 617 C ILE A 163 3.982 -3.345 2.534 1.00 0.00 C ATOM 618 O ILE A 163 4.778 -3.879 1.761 1.00 0.00 O ATOM 619 CB ILE A 163 3.199 -0.985 2.437 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.066 -0.044 2.030 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.520 -0.525 1.828 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.782 -0.067 0.551 1.00 0.00 C ATOM 0 H ILE A 163 1.043 -2.114 2.971 1.00 0.00 H new ATOM 0 HA ILE A 163 2.833 -2.492 0.924 1.00 0.00 H new ATOM 0 HB ILE A 163 3.295 -0.960 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.161 -0.319 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.321 0.973 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.728 0.499 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.324 -1.178 2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.453 -0.567 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.968 0.622 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.675 0.236 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.497 -1.075 0.251 1.00 0.00 H new ATOM 634 N ASP A 164 4.023 -3.516 3.850 1.00 0.00 N ATOM 635 CA ASP A 164 5.028 -4.358 4.480 1.00 0.00 C ATOM 636 C ASP A 164 4.959 -5.784 3.941 1.00 0.00 C ATOM 637 O ASP A 164 5.983 -6.391 3.627 1.00 0.00 O ATOM 638 CB ASP A 164 4.840 -4.364 5.998 1.00 0.00 C ATOM 639 CG ASP A 164 5.984 -5.050 6.721 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.152 -4.790 6.363 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.711 -5.845 7.645 1.00 0.00 O ATOM 0 H ASP A 164 3.370 -3.081 4.501 1.00 0.00 H new ATOM 0 HA ASP A 164 6.010 -3.947 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.752 -3.338 6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.905 -4.868 6.243 1.00 0.00 H new ATOM 646 N ALA A 165 3.742 -6.312 3.832 1.00 0.00 N ATOM 647 CA ALA A 165 3.537 -7.665 3.327 1.00 0.00 C ATOM 648 C ALA A 165 4.051 -7.800 1.898 1.00 0.00 C ATOM 649 O ALA A 165 4.626 -8.822 1.528 1.00 0.00 O ATOM 650 CB ALA A 165 2.064 -8.038 3.399 1.00 0.00 C ATOM 0 H ALA A 165 2.884 -5.823 4.087 1.00 0.00 H new ATOM 0 HA ALA A 165 4.104 -8.351 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.926 -9.050 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.727 -7.990 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.482 -7.341 2.795 1.00 0.00 H new ATOM 656 N TRP A 166 3.843 -6.756 1.102 1.00 0.00 N ATOM 657 CA TRP A 166 4.286 -6.746 -0.284 1.00 0.00 C ATOM 658 C TRP A 166 5.790 -6.968 -0.365 1.00 0.00 C ATOM 659 O TRP A 166 6.261 -7.900 -1.016 1.00 0.00 O ATOM 660 CB TRP A 166 3.922 -5.409 -0.921 1.00 0.00 C ATOM 661 CG TRP A 166 4.172 -5.359 -2.393 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.365 -5.829 -3.386 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.316 -4.801 -3.035 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.946 -5.595 -4.611 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.145 -4.966 -4.419 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.467 -4.178 -2.567 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.089 -4.528 -5.342 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.406 -3.741 -3.480 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.213 -3.918 -4.856 1.00 0.00 C ATOM 0 H TRP A 166 3.368 -5.903 1.397 1.00 0.00 H new ATOM 0 HA TRP A 166 3.790 -7.554 -0.821 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.869 -5.201 -0.733 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.494 -4.618 -0.437 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.412 -6.313 -3.234 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.547 -5.849 -5.515 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.624 -4.038 -1.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.940 -4.664 -6.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.304 -3.255 -3.128 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.966 -3.566 -5.546 1.00 0.00 H new ATOM 680 N LEU A 167 6.535 -6.101 0.309 1.00 0.00 N ATOM 681 CA LEU A 167 7.993 -6.188 0.328 1.00 0.00 C ATOM 682 C LEU A 167 8.452 -7.567 0.794 1.00 0.00 C ATOM 683 O LEU A 167 9.483 -8.072 0.348 1.00 0.00 O ATOM 684 CB LEU A 167 8.577 -5.111 1.246 1.00 0.00 C ATOM 685 CG LEU A 167 8.349 -3.673 0.776 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.806 -2.814 1.908 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.633 -3.074 0.216 1.00 0.00 C ATOM 0 H LEU A 167 6.154 -5.326 0.852 1.00 0.00 H new ATOM 0 HA LEU A 167 8.353 -6.028 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.143 -5.226 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.649 -5.280 1.345 1.00 0.00 H new ATOM 0 HG LEU A 167 7.607 -3.694 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.652 -1.796 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.857 -3.225 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.519 -2.805 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.445 -2.051 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.401 -3.072 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.973 -3.669 -0.631 1.00 0.00 H new ATOM 699 N ALA A 168 7.681 -8.169 1.693 1.00 0.00 N ATOM 700 CA ALA A 168 8.010 -9.489 2.220 1.00 0.00 C ATOM 701 C ALA A 168 7.728 -10.582 1.194 1.00 0.00 C ATOM 702 O ALA A 168 8.329 -11.654 1.236 1.00 0.00 O ATOM 703 CB ALA A 168 7.233 -9.752 3.501 1.00 0.00 C ATOM 0 H ALA A 168 6.825 -7.765 2.072 1.00 0.00 H new ATOM 0 HA ALA A 168 9.077 -9.507 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.487 -10.740 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.490 -8.997 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.164 -9.707 3.294 1.00 0.00 H new