USER MOD reduce.3.24.130724 H: found=0, std=0, add=187, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 187 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 6 ASN : amide:sc= 0.356 K(o=0.36,f=-5.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00725 USER MOD Single : A 22 LYS NZ :NH3+ -112:sc= 0.283 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 27.493 17.411 14.779 1.00 0.00 N ATOM 62 CA ASN A 6 27.018 18.728 14.344 1.00 0.00 C ATOM 63 C ASN A 6 26.053 19.333 15.383 1.00 0.00 C ATOM 64 O ASN A 6 25.149 18.653 15.881 1.00 0.00 O ATOM 65 CB ASN A 6 26.359 18.520 12.962 1.00 0.00 C ATOM 66 CG ASN A 6 25.758 19.740 12.273 1.00 0.00 C ATOM 67 OD1 ASN A 6 25.675 20.849 12.782 1.00 0.00 O ATOM 68 ND2 ASN A 6 25.269 19.551 11.072 1.00 0.00 N ATOM 0 HA ASN A 6 27.834 19.446 14.259 1.00 0.00 H new ATOM 0 HB2 ASN A 6 27.107 18.092 12.295 1.00 0.00 H new ATOM 0 HB3 ASN A 6 25.570 17.776 13.075 1.00 0.00 H new ATOM 0 HD21 ASN A 6 24.826 20.323 10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 6 25.331 18.631 10.635 1.00 0.00 H new ATOM 75 N LEU A 7 26.202 20.633 15.659 1.00 0.00 N ATOM 76 CA LEU A 7 25.337 21.433 16.535 1.00 0.00 C ATOM 77 C LEU A 7 23.851 21.233 16.196 1.00 0.00 C ATOM 78 O LEU A 7 23.029 21.045 17.091 1.00 0.00 O ATOM 79 CB LEU A 7 25.772 22.905 16.366 1.00 0.00 C ATOM 80 CG LEU A 7 24.920 23.960 17.094 1.00 0.00 C ATOM 81 CD1 LEU A 7 24.971 23.801 18.612 1.00 0.00 C ATOM 82 CD2 LEU A 7 25.432 25.358 16.747 1.00 0.00 C ATOM 0 H LEU A 7 26.963 21.182 15.260 1.00 0.00 H new ATOM 0 HA LEU A 7 25.444 21.121 17.574 1.00 0.00 H new ATOM 0 HB2 LEU A 7 26.801 22.999 16.713 1.00 0.00 H new ATOM 0 HB3 LEU A 7 25.772 23.141 15.302 1.00 0.00 H new ATOM 0 HG LEU A 7 23.890 23.820 16.766 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.354 24.569 19.079 1.00 0.00 H new ATOM 0 HD12 LEU A 7 24.595 22.816 18.887 1.00 0.00 H new ATOM 0 HD13 LEU A 7 26.001 23.905 18.954 1.00 0.00 H new ATOM 0 HD21 LEU A 7 24.828 26.105 17.263 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.472 25.453 17.060 1.00 0.00 H new ATOM 0 HD23 LEU A 7 25.361 25.515 15.671 1.00 0.00 H new ATOM 94 N ALA A 8 23.524 21.175 14.903 1.00 0.00 N ATOM 95 CA ALA A 8 22.165 21.012 14.390 1.00 0.00 C ATOM 96 C ALA A 8 21.450 19.728 14.858 1.00 0.00 C ATOM 97 O ALA A 8 20.220 19.720 14.938 1.00 0.00 O ATOM 98 CB ALA A 8 22.267 21.039 12.864 1.00 0.00 C ATOM 0 H ALA A 8 24.221 21.243 14.162 1.00 0.00 H new ATOM 0 HA ALA A 8 21.552 21.822 14.785 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.274 20.920 12.431 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.691 21.991 12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 8 22.909 20.225 12.528 1.00 0.00 H new ATOM 104 N ALA A 9 22.197 18.667 15.184 1.00 0.00 N ATOM 105 CA ALA A 9 21.660 17.397 15.681 1.00 0.00 C ATOM 106 C ALA A 9 21.641 17.305 17.221 1.00 0.00 C ATOM 107 O ALA A 9 20.856 16.539 17.785 1.00 0.00 O ATOM 108 CB ALA A 9 22.482 16.265 15.060 1.00 0.00 C ATOM 0 H ALA A 9 23.214 18.668 15.108 1.00 0.00 H new ATOM 0 HA ALA A 9 20.614 17.318 15.384 1.00 0.00 H new ATOM 0 HB1 ALA A 9 22.104 15.305 15.413 1.00 0.00 H new ATOM 0 HB2 ALA A 9 22.401 16.310 13.974 1.00 0.00 H new ATOM 0 HB3 ALA A 9 23.527 16.372 15.351 1.00 0.00 H new ATOM 114 N CYS A 10 22.472 18.100 17.905 1.00 0.00 N ATOM 115 CA CYS A 10 22.560 18.132 19.368 1.00 0.00 C ATOM 116 C CYS A 10 21.637 19.189 20.005 1.00 0.00 C ATOM 117 O CYS A 10 21.095 18.980 21.091 1.00 0.00 O ATOM 118 CB CYS A 10 24.031 18.319 19.756 1.00 0.00 C ATOM 119 SG CYS A 10 24.361 18.115 21.525 1.00 0.00 S ATOM 0 H CYS A 10 23.113 18.750 17.449 1.00 0.00 H new ATOM 0 HA CYS A 10 22.198 17.185 19.767 1.00 0.00 H new ATOM 0 HB2 CYS A 10 24.636 17.603 19.200 1.00 0.00 H new ATOM 0 HB3 CYS A 10 24.353 19.314 19.450 1.00 0.00 H new ATOM 124 N GLU A 11 21.345 20.288 19.299 1.00 0.00 N ATOM 125 CA GLU A 11 20.289 21.248 19.665 1.00 0.00 C ATOM 126 C GLU A 11 18.915 20.567 19.805 1.00 0.00 C ATOM 127 O GLU A 11 18.088 21.010 20.602 1.00 0.00 O ATOM 128 CB GLU A 11 20.207 22.350 18.597 1.00 0.00 C ATOM 129 CG GLU A 11 21.380 23.335 18.672 1.00 0.00 C ATOM 130 CD GLU A 11 21.113 24.488 19.640 1.00 0.00 C ATOM 131 OE1 GLU A 11 20.514 25.502 19.229 1.00 0.00 O ATOM 132 OE2 GLU A 11 21.517 24.419 20.825 1.00 0.00 O ATOM 0 H GLU A 11 21.841 20.542 18.445 1.00 0.00 H new ATOM 0 HA GLU A 11 20.549 21.676 20.633 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.186 21.891 17.608 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.271 22.896 18.715 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.278 22.803 18.985 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.577 23.737 17.678 1.00 0.00 H new ATOM 139 N LEU A 12 18.693 19.445 19.109 1.00 0.00 N ATOM 140 CA LEU A 12 17.489 18.617 19.235 1.00 0.00 C ATOM 141 C LEU A 12 17.288 18.058 20.657 1.00 0.00 C ATOM 142 O LEU A 12 16.142 17.879 21.071 1.00 0.00 O ATOM 143 CB LEU A 12 17.538 17.459 18.220 1.00 0.00 C ATOM 144 CG LEU A 12 17.744 17.863 16.747 1.00 0.00 C ATOM 145 CD1 LEU A 12 17.767 16.611 15.872 1.00 0.00 C ATOM 146 CD2 LEU A 12 16.643 18.792 16.232 1.00 0.00 C ATOM 0 H LEU A 12 19.360 19.081 18.429 1.00 0.00 H new ATOM 0 HA LEU A 12 16.638 19.265 19.025 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.344 16.784 18.507 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.608 16.896 18.295 1.00 0.00 H new ATOM 0 HG LEU A 12 18.692 18.399 16.695 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.913 16.898 14.830 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.584 15.962 16.187 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.821 16.079 15.973 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.838 19.045 15.190 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.678 18.291 16.309 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.627 19.704 16.829 1.00 0.00 H new ATOM 158 N SER A 13 18.380 17.827 21.401 1.00 0.00 N ATOM 159 CA SER A 13 18.382 17.268 22.766 1.00 0.00 C ATOM 160 C SER A 13 18.623 18.301 23.874 1.00 0.00 C ATOM 161 O SER A 13 18.500 17.959 25.052 1.00 0.00 O ATOM 162 CB SER A 13 19.461 16.185 22.912 1.00 0.00 C ATOM 163 OG SER A 13 19.554 15.326 21.794 1.00 0.00 O ATOM 0 H SER A 13 19.319 18.030 21.059 1.00 0.00 H new ATOM 0 HA SER A 13 17.378 16.862 22.892 1.00 0.00 H new ATOM 0 HB2 SER A 13 20.426 16.665 23.072 1.00 0.00 H new ATOM 0 HB3 SER A 13 19.249 15.590 23.800 1.00 0.00 H new ATOM 0 HG SER A 13 20.258 14.662 21.949 1.00 0.00 H new ATOM 169 N CYS A 14 19.014 19.530 23.518 1.00 0.00 N ATOM 170 CA CYS A 14 19.424 20.575 24.467 1.00 0.00 C ATOM 171 C CYS A 14 18.565 21.849 24.371 1.00 0.00 C ATOM 172 O CYS A 14 18.162 22.398 25.397 1.00 0.00 O ATOM 173 CB CYS A 14 20.915 20.876 24.253 1.00 0.00 C ATOM 174 SG CYS A 14 22.054 19.496 24.573 1.00 0.00 S ATOM 0 H CYS A 14 19.056 19.833 22.545 1.00 0.00 H new ATOM 0 HA CYS A 14 19.264 20.202 25.479 1.00 0.00 H new ATOM 0 HB2 CYS A 14 21.055 21.207 23.224 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.194 21.710 24.897 1.00 0.00 H new ATOM 179 N ARG A 15 18.192 22.301 23.165 1.00 0.00 N ATOM 180 CA ARG A 15 17.338 23.488 22.975 1.00 0.00 C ATOM 181 C ARG A 15 15.865 23.213 23.319 1.00 0.00 C ATOM 182 O ARG A 15 15.112 24.140 23.605 1.00 0.00 O ATOM 183 CB ARG A 15 17.547 24.022 21.547 1.00 0.00 C ATOM 184 CG ARG A 15 17.146 25.491 21.350 1.00 0.00 C ATOM 185 CD ARG A 15 17.967 26.509 22.161 1.00 0.00 C ATOM 186 NE ARG A 15 19.407 26.428 21.857 1.00 0.00 N ATOM 187 CZ ARG A 15 20.330 27.347 22.051 1.00 0.00 C ATOM 188 NH1 ARG A 15 20.101 28.503 22.604 1.00 0.00 N ATOM 189 NH2 ARG A 15 21.535 27.102 21.652 1.00 0.00 N ATOM 0 H ARG A 15 18.473 21.855 22.292 1.00 0.00 H new ATOM 0 HA ARG A 15 17.635 24.266 23.678 1.00 0.00 H new ATOM 0 HB2 ARG A 15 18.597 23.907 21.280 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.973 23.406 20.855 1.00 0.00 H new ATOM 0 HG2 ARG A 15 17.236 25.737 20.292 1.00 0.00 H new ATOM 0 HG3 ARG A 15 16.095 25.603 21.615 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.608 27.516 21.948 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.811 26.334 23.226 1.00 0.00 H new ATOM 0 HE ARG A 15 19.728 25.552 21.445 1.00 0.00 H new ATOM 0 HH11 ARG A 15 19.160 28.741 22.917 1.00 0.00 H new ATOM 0 HH12 ARG A 15 20.863 29.170 22.725 1.00 0.00 H new ATOM 0 HH21 ARG A 15 21.752 26.214 21.199 1.00 0.00 H new ATOM 0 HH22 ARG A 15 22.269 27.797 21.790 1.00 0.00 H new ATOM 203 N SER A 16 15.500 21.934 23.431 1.00 0.00 N ATOM 204 CA SER A 16 14.305 21.431 24.127 1.00 0.00 C ATOM 205 C SER A 16 14.280 21.748 25.629 1.00 0.00 C ATOM 206 O SER A 16 13.218 21.737 26.244 1.00 0.00 O ATOM 207 CB SER A 16 14.246 19.909 23.943 1.00 0.00 C ATOM 208 OG SER A 16 15.485 19.327 24.314 1.00 0.00 O ATOM 0 H SER A 16 16.053 21.182 23.021 1.00 0.00 H new ATOM 0 HA SER A 16 13.444 21.936 23.689 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.443 19.492 24.550 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.018 19.669 22.905 1.00 0.00 H new ATOM 0 HG SER A 16 15.439 18.355 24.195 1.00 0.00 H new ATOM 214 N LEU A 17 15.440 22.062 26.215 1.00 0.00 N ATOM 215 CA LEU A 17 15.652 22.473 27.610 1.00 0.00 C ATOM 216 C LEU A 17 16.152 23.938 27.686 1.00 0.00 C ATOM 217 O LEU A 17 16.606 24.408 28.734 1.00 0.00 O ATOM 218 CB LEU A 17 16.662 21.517 28.282 1.00 0.00 C ATOM 219 CG LEU A 17 16.608 20.026 27.906 1.00 0.00 C ATOM 220 CD1 LEU A 17 17.755 19.281 28.592 1.00 0.00 C ATOM 221 CD2 LEU A 17 15.290 19.365 28.315 1.00 0.00 C ATOM 0 H LEU A 17 16.316 22.034 25.693 1.00 0.00 H new ATOM 0 HA LEU A 17 14.702 22.420 28.141 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.665 21.881 28.059 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.527 21.594 29.361 1.00 0.00 H new ATOM 0 HG LEU A 17 16.695 19.969 26.821 1.00 0.00 H new ATOM 0 HD11 LEU A 17 17.715 18.225 28.324 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.707 19.701 28.268 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.661 19.385 29.673 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.305 18.314 28.026 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.164 19.443 29.395 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.461 19.867 27.816 1.00 0.00 H new ATOM 233 N GLY A 18 16.128 24.654 26.557 1.00 0.00 N ATOM 234 CA GLY A 18 16.589 26.034 26.417 1.00 0.00 C ATOM 235 C GLY A 18 18.106 26.270 26.477 1.00 0.00 C ATOM 236 O GLY A 18 18.491 27.438 26.508 1.00 0.00 O ATOM 0 H GLY A 18 15.772 24.270 25.682 1.00 0.00 H new ATOM 0 HA2 GLY A 18 16.223 26.419 25.465 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.122 26.629 27.202 1.00 0.00 H new ATOM 240 N LEU A 19 18.965 25.235 26.494 1.00 0.00 N ATOM 241 CA LEU A 19 20.436 25.407 26.552 1.00 0.00 C ATOM 242 C LEU A 19 21.179 24.767 25.364 1.00 0.00 C ATOM 243 O LEU A 19 20.567 24.131 24.507 1.00 0.00 O ATOM 244 CB LEU A 19 20.980 25.046 27.956 1.00 0.00 C ATOM 245 CG LEU A 19 21.420 23.596 28.236 1.00 0.00 C ATOM 246 CD1 LEU A 19 21.741 23.438 29.719 1.00 0.00 C ATOM 247 CD2 LEU A 19 20.340 22.582 27.910 1.00 0.00 C ATOM 0 H LEU A 19 18.666 24.260 26.468 1.00 0.00 H new ATOM 0 HA LEU A 19 20.656 26.466 26.418 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.834 25.693 28.154 1.00 0.00 H new ATOM 0 HB3 LEU A 19 20.210 25.303 28.683 1.00 0.00 H new ATOM 0 HG LEU A 19 22.287 23.410 27.602 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.052 22.412 29.917 1.00 0.00 H new ATOM 0 HD12 LEU A 19 22.546 24.120 29.992 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.854 23.668 30.310 1.00 0.00 H new ATOM 0 HD21 LEU A 19 20.706 21.578 28.127 1.00 0.00 H new ATOM 0 HD22 LEU A 19 19.456 22.785 28.515 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.081 22.653 26.854 1.00 0.00 H new ATOM 259 N LEU A 20 22.494 24.979 25.273 1.00 0.00 N ATOM 260 CA LEU A 20 23.256 24.783 24.041 1.00 0.00 C ATOM 261 C LEU A 20 23.520 23.301 23.726 1.00 0.00 C ATOM 262 O LEU A 20 23.990 22.549 24.584 1.00 0.00 O ATOM 263 CB LEU A 20 24.551 25.612 24.163 1.00 0.00 C ATOM 264 CG LEU A 20 25.519 25.485 22.974 1.00 0.00 C ATOM 265 CD1 LEU A 20 24.935 26.046 21.678 1.00 0.00 C ATOM 266 CD2 LEU A 20 26.821 26.226 23.274 1.00 0.00 C ATOM 0 H LEU A 20 23.063 25.294 26.059 1.00 0.00 H new ATOM 0 HA LEU A 20 22.673 25.130 23.188 1.00 0.00 H new ATOM 0 HB2 LEU A 20 24.283 26.662 24.283 1.00 0.00 H new ATOM 0 HB3 LEU A 20 25.073 25.311 25.071 1.00 0.00 H new ATOM 0 HG LEU A 20 25.701 24.419 22.836 1.00 0.00 H new ATOM 0 HD11 LEU A 20 25.660 25.931 20.872 1.00 0.00 H new ATOM 0 HD12 LEU A 20 24.023 25.505 21.426 1.00 0.00 H new ATOM 0 HD13 LEU A 20 24.705 27.103 21.810 1.00 0.00 H new ATOM 0 HD21 LEU A 20 27.498 26.129 22.426 1.00 0.00 H new ATOM 0 HD22 LEU A 20 26.607 27.280 23.449 1.00 0.00 H new ATOM 0 HD23 LEU A 20 27.287 25.798 24.161 1.00 0.00 H new ATOM 278 N GLY A 21 23.300 22.916 22.465 1.00 0.00 N ATOM 279 CA GLY A 21 23.672 21.630 21.854 1.00 0.00 C ATOM 280 C GLY A 21 25.176 21.411 21.669 1.00 0.00 C ATOM 281 O GLY A 21 25.667 21.202 20.556 1.00 0.00 O ATOM 0 H GLY A 21 22.829 23.530 21.800 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.276 20.824 22.472 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.187 21.554 20.881 1.00 0.00 H new ATOM 285 N LYS A 22 25.911 21.474 22.775 1.00 0.00 N ATOM 286 CA LYS A 22 27.371 21.317 22.829 1.00 0.00 C ATOM 287 C LYS A 22 27.816 19.892 22.456 1.00 0.00 C ATOM 288 O LYS A 22 27.307 18.902 22.983 1.00 0.00 O ATOM 289 CB LYS A 22 27.870 21.753 24.216 1.00 0.00 C ATOM 290 CG LYS A 22 29.380 21.527 24.427 1.00 0.00 C ATOM 291 CD LYS A 22 29.839 21.909 25.841 1.00 0.00 C ATOM 292 CE LYS A 22 29.246 21.016 26.943 1.00 0.00 C ATOM 293 NZ LYS A 22 29.799 19.642 26.914 1.00 0.00 N ATOM 0 H LYS A 22 25.498 21.641 23.693 1.00 0.00 H new ATOM 0 HA LYS A 22 27.828 21.962 22.079 1.00 0.00 H new ATOM 0 HB2 LYS A 22 27.646 22.810 24.358 1.00 0.00 H new ATOM 0 HB3 LYS A 22 27.319 21.205 24.980 1.00 0.00 H new ATOM 0 HG2 LYS A 22 29.617 20.479 24.242 1.00 0.00 H new ATOM 0 HG3 LYS A 22 29.938 22.113 23.697 1.00 0.00 H new ATOM 0 HD2 LYS A 22 30.927 21.855 25.888 1.00 0.00 H new ATOM 0 HD3 LYS A 22 29.562 22.945 26.036 1.00 0.00 H new ATOM 0 HE2 LYS A 22 29.445 21.464 27.916 1.00 0.00 H new ATOM 0 HE3 LYS A 22 28.163 20.972 26.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 29.054 18.974 26.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.583 19.598 26.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 30.149 19.389 27.860 1.00 0.00 H new ATOM 307 N CYS A 23 28.825 19.806 21.590 1.00 0.00 N ATOM 308 CA CYS A 23 29.579 18.591 21.282 1.00 0.00 C ATOM 309 C CYS A 23 31.089 18.880 21.314 1.00 0.00 C ATOM 310 O CYS A 23 31.614 19.608 20.466 1.00 0.00 O ATOM 311 CB CYS A 23 29.120 18.042 19.924 1.00 0.00 C ATOM 312 SG CYS A 23 30.179 16.760 19.190 1.00 0.00 S ATOM 0 H CYS A 23 29.153 20.615 21.062 1.00 0.00 H new ATOM 0 HA CYS A 23 29.386 17.828 22.036 1.00 0.00 H new ATOM 0 HB2 CYS A 23 28.115 17.635 20.039 1.00 0.00 H new ATOM 0 HB3 CYS A 23 29.049 18.873 19.223 1.00 0.00 H new ATOM 0 HG CYS A 23 29.678 16.384 18.051 1.00 0.00 H new ATOM 317 N ILE A 24 31.787 18.292 22.292 1.00 0.00 N ATOM 318 CA ILE A 24 33.254 18.284 22.409 1.00 0.00 C ATOM 319 C ILE A 24 33.710 16.854 22.725 1.00 0.00 C ATOM 320 O ILE A 24 33.147 16.184 23.596 1.00 0.00 O ATOM 321 CB ILE A 24 33.758 19.282 23.482 1.00 0.00 C ATOM 322 CG1 ILE A 24 33.212 20.710 23.249 1.00 0.00 C ATOM 323 CG2 ILE A 24 35.304 19.291 23.488 1.00 0.00 C ATOM 324 CD1 ILE A 24 33.597 21.724 24.335 1.00 0.00 C ATOM 0 H ILE A 24 31.331 17.789 23.053 1.00 0.00 H new ATOM 0 HA ILE A 24 33.686 18.611 21.463 1.00 0.00 H new ATOM 0 HB ILE A 24 33.386 18.952 24.452 1.00 0.00 H new ATOM 0 HG12 ILE A 24 33.575 21.072 22.287 1.00 0.00 H new ATOM 0 HG13 ILE A 24 32.125 20.663 23.182 1.00 0.00 H new ATOM 0 HG21 ILE A 24 35.661 19.992 24.242 1.00 0.00 H new ATOM 0 HG22 ILE A 24 35.673 18.292 23.719 1.00 0.00 H new ATOM 0 HG23 ILE A 24 35.670 19.595 22.507 1.00 0.00 H new ATOM 0 HD11 ILE A 24 33.172 22.698 24.091 1.00 0.00 H new ATOM 0 HD12 ILE A 24 33.210 21.390 25.298 1.00 0.00 H new ATOM 0 HD13 ILE A 24 34.683 21.805 24.389 1.00 0.00 H new ATOM 336 N GLY A 25 34.730 16.371 22.016 1.00 0.00 N ATOM 337 CA GLY A 25 35.215 14.996 22.150 1.00 0.00 C ATOM 338 C GLY A 25 34.216 13.947 21.658 1.00 0.00 C ATOM 339 O GLY A 25 34.141 12.863 22.235 1.00 0.00 O ATOM 0 H GLY A 25 35.245 16.923 21.330 1.00 0.00 H new ATOM 0 HA2 GLY A 25 36.145 14.891 21.591 1.00 0.00 H new ATOM 0 HA3 GLY A 25 35.448 14.802 23.197 1.00 0.00 H new ATOM 343 N GLU A 26 33.457 14.251 20.604 1.00 0.00 N ATOM 344 CA GLU A 26 32.515 13.337 19.936 1.00 0.00 C ATOM 345 C GLU A 26 31.360 12.806 20.822 1.00 0.00 C ATOM 346 O GLU A 26 30.888 11.680 20.632 1.00 0.00 O ATOM 347 CB GLU A 26 33.280 12.226 19.182 1.00 0.00 C ATOM 348 CG GLU A 26 34.344 12.759 18.211 1.00 0.00 C ATOM 349 CD GLU A 26 35.147 11.616 17.592 1.00 0.00 C ATOM 350 OE1 GLU A 26 34.626 10.875 16.726 1.00 0.00 O ATOM 351 OE2 GLU A 26 36.321 11.409 17.982 1.00 0.00 O ATOM 0 H GLU A 26 33.479 15.175 20.172 1.00 0.00 H new ATOM 0 HA GLU A 26 31.982 13.940 19.201 1.00 0.00 H new ATOM 0 HB2 GLU A 26 33.760 11.570 19.909 1.00 0.00 H new ATOM 0 HB3 GLU A 26 32.566 11.618 18.627 1.00 0.00 H new ATOM 0 HG2 GLU A 26 33.863 13.338 17.423 1.00 0.00 H new ATOM 0 HG3 GLU A 26 35.016 13.435 18.739 1.00 0.00 H new ATOM 358 N GLU A 27 30.856 13.606 21.770 1.00 0.00 N ATOM 359 CA GLU A 27 29.581 13.334 22.459 1.00 0.00 C ATOM 360 C GLU A 27 28.707 14.587 22.644 1.00 0.00 C ATOM 361 O GLU A 27 29.166 15.623 23.131 1.00 0.00 O ATOM 362 CB GLU A 27 29.810 12.581 23.783 1.00 0.00 C ATOM 363 CG GLU A 27 30.469 13.388 24.911 1.00 0.00 C ATOM 364 CD GLU A 27 30.972 12.456 26.015 1.00 0.00 C ATOM 365 OE1 GLU A 27 31.961 11.722 25.784 1.00 0.00 O ATOM 366 OE2 GLU A 27 30.429 12.438 27.147 1.00 0.00 O ATOM 0 H GLU A 27 31.317 14.460 22.083 1.00 0.00 H new ATOM 0 HA GLU A 27 29.009 12.680 21.801 1.00 0.00 H new ATOM 0 HB2 GLU A 27 28.848 12.214 24.140 1.00 0.00 H new ATOM 0 HB3 GLU A 27 30.429 11.707 23.579 1.00 0.00 H new ATOM 0 HG2 GLU A 27 31.300 13.970 24.512 1.00 0.00 H new ATOM 0 HG3 GLU A 27 29.752 14.098 25.325 1.00 0.00 H new ATOM 373 N CYS A 28 27.426 14.478 22.273 1.00 0.00 N ATOM 374 CA CYS A 28 26.409 15.507 22.480 1.00 0.00 C ATOM 375 C CYS A 28 26.001 15.563 23.960 1.00 0.00 C ATOM 376 O CYS A 28 25.361 14.639 24.480 1.00 0.00 O ATOM 377 CB CYS A 28 25.203 15.202 21.580 1.00 0.00 C ATOM 378 SG CYS A 28 23.740 16.221 21.916 1.00 0.00 S ATOM 0 H CYS A 28 27.061 13.647 21.808 1.00 0.00 H new ATOM 0 HA CYS A 28 26.810 16.485 22.214 1.00 0.00 H new ATOM 0 HB2 CYS A 28 25.497 15.342 20.540 1.00 0.00 H new ATOM 0 HB3 CYS A 28 24.934 14.152 21.697 1.00 0.00 H new ATOM 383 N LYS A 29 26.376 16.643 24.647 1.00 0.00 N ATOM 384 CA LYS A 29 26.150 16.846 26.084 1.00 0.00 C ATOM 385 C LYS A 29 26.060 18.337 26.395 1.00 0.00 C ATOM 386 O LYS A 29 27.006 19.071 26.126 1.00 0.00 O ATOM 387 CB LYS A 29 27.306 16.161 26.819 1.00 0.00 C ATOM 388 CG LYS A 29 27.191 16.212 28.348 1.00 0.00 C ATOM 389 CD LYS A 29 28.079 15.130 28.977 1.00 0.00 C ATOM 390 CE LYS A 29 27.421 13.748 28.826 1.00 0.00 C ATOM 391 NZ LYS A 29 28.382 12.643 29.037 1.00 0.00 N ATOM 0 H LYS A 29 26.860 17.426 24.208 1.00 0.00 H new ATOM 0 HA LYS A 29 25.206 16.411 26.411 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.357 15.119 26.503 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.243 16.631 26.519 1.00 0.00 H new ATOM 0 HG2 LYS A 29 27.490 17.196 28.711 1.00 0.00 H new ATOM 0 HG3 LYS A 29 26.154 16.063 28.648 1.00 0.00 H new ATOM 0 HD2 LYS A 29 29.058 15.129 28.498 1.00 0.00 H new ATOM 0 HD3 LYS A 29 28.241 15.350 30.032 1.00 0.00 H new ATOM 0 HE2 LYS A 29 26.603 13.657 29.541 1.00 0.00 H new ATOM 0 HE3 LYS A 29 26.985 13.662 27.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 27.867 11.741 29.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 29.052 12.609 28.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 28.903 12.801 29.923 1.00 0.00 H new ATOM 405 N CYS A 30 24.926 18.789 26.930 1.00 0.00 N ATOM 406 CA CYS A 30 24.609 20.210 27.062 1.00 0.00 C ATOM 407 C CYS A 30 25.456 20.906 28.149 1.00 0.00 C ATOM 408 O CYS A 30 26.240 20.275 28.861 1.00 0.00 O ATOM 409 CB CYS A 30 23.102 20.396 27.309 1.00 0.00 C ATOM 410 SG CYS A 30 21.940 19.199 26.584 1.00 0.00 S ATOM 0 H CYS A 30 24.195 18.173 27.287 1.00 0.00 H new ATOM 0 HA CYS A 30 24.869 20.696 26.122 1.00 0.00 H new ATOM 0 HB2 CYS A 30 22.942 20.399 28.387 1.00 0.00 H new ATOM 0 HB3 CYS A 30 22.827 21.385 26.943 1.00 0.00 H new ATOM 415 N VAL A 31 25.310 22.224 28.290 1.00 0.00 N ATOM 416 CA VAL A 31 26.142 23.042 29.199 1.00 0.00 C ATOM 417 C VAL A 31 25.677 22.995 30.676 1.00 0.00 C ATOM 418 O VAL A 31 24.516 22.659 30.940 1.00 0.00 O ATOM 419 CB VAL A 31 26.283 24.465 28.628 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.945 24.391 27.245 1.00 0.00 C ATOM 421 CG2 VAL A 31 24.950 25.201 28.502 1.00 0.00 C ATOM 0 H VAL A 31 24.612 22.764 27.779 1.00 0.00 H new ATOM 0 HA VAL A 31 27.138 22.602 29.240 1.00 0.00 H new ATOM 0 HB VAL A 31 26.895 25.029 29.332 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.047 25.396 26.836 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.931 23.935 27.337 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.328 23.789 26.578 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.121 26.197 28.094 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.289 24.645 27.837 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.487 25.287 29.485 1.00 0.00 H new