USER MOD reduce.3.24.130724 H: found=0, std=0, add=187, rem=0, adj=3 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= 0.53 K(o=0.53,f=-0.65) USER MOD Single : A 13 SER OG : rot 70:sc= 1.28 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 28.135 16.059 16.355 1.00 0.00 N ATOM 62 CA ASN A 6 26.712 15.948 15.994 1.00 0.00 C ATOM 63 C ASN A 6 25.851 17.171 16.386 1.00 0.00 C ATOM 64 O ASN A 6 24.690 17.037 16.788 1.00 0.00 O ATOM 65 CB ASN A 6 26.151 14.602 16.502 1.00 0.00 C ATOM 66 CG ASN A 6 26.119 14.451 18.018 1.00 0.00 C ATOM 67 OD1 ASN A 6 26.889 15.047 18.755 1.00 0.00 O ATOM 68 ND2 ASN A 6 25.257 13.605 18.528 1.00 0.00 N ATOM 0 HA ASN A 6 26.651 15.955 14.906 1.00 0.00 H new ATOM 0 HB2 ASN A 6 25.138 14.479 16.118 1.00 0.00 H new ATOM 0 HB3 ASN A 6 26.751 13.794 16.084 1.00 0.00 H new ATOM 0 HD21 ASN A 6 25.232 13.448 19.535 1.00 0.00 H new ATOM 0 HD22 ASN A 6 24.611 13.104 17.917 1.00 0.00 H new ATOM 75 N LEU A 7 26.410 18.379 16.265 1.00 0.00 N ATOM 76 CA LEU A 7 25.800 19.609 16.796 1.00 0.00 C ATOM 77 C LEU A 7 24.421 19.901 16.171 1.00 0.00 C ATOM 78 O LEU A 7 23.496 20.283 16.890 1.00 0.00 O ATOM 79 CB LEU A 7 26.783 20.784 16.635 1.00 0.00 C ATOM 80 CG LEU A 7 26.375 22.084 17.358 1.00 0.00 C ATOM 81 CD1 LEU A 7 26.225 21.906 18.873 1.00 0.00 C ATOM 82 CD2 LEU A 7 27.450 23.149 17.132 1.00 0.00 C ATOM 0 H LEU A 7 27.302 18.535 15.795 1.00 0.00 H new ATOM 0 HA LEU A 7 25.607 19.467 17.859 1.00 0.00 H new ATOM 0 HB2 LEU A 7 27.760 20.473 17.004 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.897 20.998 15.572 1.00 0.00 H new ATOM 0 HG LEU A 7 25.410 22.376 16.945 1.00 0.00 H new ATOM 0 HD11 LEU A 7 25.937 22.855 19.324 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.458 21.159 19.077 1.00 0.00 H new ATOM 0 HD13 LEU A 7 27.174 21.576 19.296 1.00 0.00 H new ATOM 0 HD21 LEU A 7 27.164 24.069 17.642 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.402 22.795 17.528 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.551 23.343 16.064 1.00 0.00 H new ATOM 94 N ALA A 8 24.252 19.596 14.879 1.00 0.00 N ATOM 95 CA ALA A 8 23.006 19.763 14.122 1.00 0.00 C ATOM 96 C ALA A 8 21.793 18.976 14.670 1.00 0.00 C ATOM 97 O ALA A 8 20.648 19.330 14.364 1.00 0.00 O ATOM 98 CB ALA A 8 23.299 19.358 12.676 1.00 0.00 C ATOM 0 H ALA A 8 25.007 19.212 14.311 1.00 0.00 H new ATOM 0 HA ALA A 8 22.705 20.807 14.210 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.395 19.468 12.077 1.00 0.00 H new ATOM 0 HB2 ALA A 8 24.083 19.998 12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.628 18.319 12.649 1.00 0.00 H new ATOM 104 N ALA A 9 22.008 17.946 15.497 1.00 0.00 N ATOM 105 CA ALA A 9 20.964 17.243 16.257 1.00 0.00 C ATOM 106 C ALA A 9 21.058 17.503 17.774 1.00 0.00 C ATOM 107 O ALA A 9 20.064 17.375 18.490 1.00 0.00 O ATOM 108 CB ALA A 9 21.070 15.749 15.955 1.00 0.00 C ATOM 0 H ALA A 9 22.940 17.566 15.662 1.00 0.00 H new ATOM 0 HA ALA A 9 19.992 17.626 15.946 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.303 15.210 16.511 1.00 0.00 H new ATOM 0 HB2 ALA A 9 20.929 15.583 14.887 1.00 0.00 H new ATOM 0 HB3 ALA A 9 22.054 15.387 16.252 1.00 0.00 H new ATOM 114 N CYS A 10 22.225 17.914 18.265 1.00 0.00 N ATOM 115 CA CYS A 10 22.454 18.213 19.678 1.00 0.00 C ATOM 116 C CYS A 10 21.694 19.475 20.105 1.00 0.00 C ATOM 117 O CYS A 10 20.976 19.440 21.099 1.00 0.00 O ATOM 118 CB CYS A 10 23.957 18.359 19.928 1.00 0.00 C ATOM 119 SG CYS A 10 24.434 18.525 21.668 1.00 0.00 S ATOM 0 H CYS A 10 23.052 18.051 17.684 1.00 0.00 H new ATOM 0 HA CYS A 10 22.074 17.390 20.283 1.00 0.00 H new ATOM 0 HB2 CYS A 10 24.465 17.490 19.509 1.00 0.00 H new ATOM 0 HB3 CYS A 10 24.317 19.232 19.384 1.00 0.00 H new ATOM 124 N GLU A 11 21.763 20.556 19.316 1.00 0.00 N ATOM 125 CA GLU A 11 21.041 21.816 19.566 1.00 0.00 C ATOM 126 C GLU A 11 19.542 21.575 19.799 1.00 0.00 C ATOM 127 O GLU A 11 18.999 21.912 20.851 1.00 0.00 O ATOM 128 CB GLU A 11 21.221 22.748 18.354 1.00 0.00 C ATOM 129 CG GLU A 11 22.648 23.280 18.167 1.00 0.00 C ATOM 130 CD GLU A 11 22.913 24.520 19.020 1.00 0.00 C ATOM 131 OE1 GLU A 11 23.037 24.401 20.255 1.00 0.00 O ATOM 132 OE2 GLU A 11 23.010 25.635 18.438 1.00 0.00 O ATOM 0 H GLU A 11 22.332 20.582 18.470 1.00 0.00 H new ATOM 0 HA GLU A 11 21.454 22.271 20.467 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.926 22.212 17.452 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.542 23.594 18.458 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.363 22.500 18.429 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.810 23.521 17.116 1.00 0.00 H new ATOM 139 N LEU A 12 18.885 20.902 18.847 1.00 0.00 N ATOM 140 CA LEU A 12 17.449 20.616 18.880 1.00 0.00 C ATOM 141 C LEU A 12 17.039 19.519 19.881 1.00 0.00 C ATOM 142 O LEU A 12 15.847 19.385 20.165 1.00 0.00 O ATOM 143 CB LEU A 12 16.939 20.380 17.445 1.00 0.00 C ATOM 144 CG LEU A 12 17.601 19.258 16.617 1.00 0.00 C ATOM 145 CD1 LEU A 12 17.204 17.849 17.065 1.00 0.00 C ATOM 146 CD2 LEU A 12 17.142 19.391 15.165 1.00 0.00 C ATOM 0 H LEU A 12 19.348 20.534 18.016 1.00 0.00 H new ATOM 0 HA LEU A 12 16.945 21.496 19.279 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.871 20.169 17.500 1.00 0.00 H new ATOM 0 HB3 LEU A 12 17.051 21.313 16.893 1.00 0.00 H new ATOM 0 HG LEU A 12 18.677 19.374 16.749 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.707 17.113 16.438 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.497 17.702 18.105 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.125 17.728 16.972 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.601 18.605 14.565 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.057 19.298 15.116 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.440 20.365 14.777 1.00 0.00 H new ATOM 158 N SER A 13 17.997 18.772 20.442 1.00 0.00 N ATOM 159 CA SER A 13 17.760 17.806 21.528 1.00 0.00 C ATOM 160 C SER A 13 17.946 18.455 22.903 1.00 0.00 C ATOM 161 O SER A 13 17.144 18.231 23.809 1.00 0.00 O ATOM 162 CB SER A 13 18.679 16.585 21.394 1.00 0.00 C ATOM 163 OG SER A 13 18.508 15.944 20.140 1.00 0.00 O ATOM 0 H SER A 13 18.974 18.820 20.152 1.00 0.00 H new ATOM 0 HA SER A 13 16.726 17.473 21.443 1.00 0.00 H new ATOM 0 HB2 SER A 13 19.718 16.895 21.507 1.00 0.00 H new ATOM 0 HB3 SER A 13 18.468 15.879 22.197 1.00 0.00 H new ATOM 0 HG SER A 13 18.870 16.514 19.429 1.00 0.00 H new ATOM 169 N CYS A 14 18.956 19.312 23.063 1.00 0.00 N ATOM 170 CA CYS A 14 19.157 20.128 24.256 1.00 0.00 C ATOM 171 C CYS A 14 18.012 21.143 24.442 1.00 0.00 C ATOM 172 O CYS A 14 17.549 21.353 25.563 1.00 0.00 O ATOM 173 CB CYS A 14 20.525 20.817 24.130 1.00 0.00 C ATOM 174 SG CYS A 14 21.973 19.759 24.454 1.00 0.00 S ATOM 0 H CYS A 14 19.671 19.459 22.350 1.00 0.00 H new ATOM 0 HA CYS A 14 19.146 19.501 25.148 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.614 21.226 23.124 1.00 0.00 H new ATOM 0 HB3 CYS A 14 20.552 21.660 24.820 1.00 0.00 H new ATOM 179 N ARG A 15 17.481 21.723 23.359 1.00 0.00 N ATOM 180 CA ARG A 15 16.439 22.764 23.417 1.00 0.00 C ATOM 181 C ARG A 15 15.161 22.353 24.162 1.00 0.00 C ATOM 182 O ARG A 15 14.603 23.198 24.857 1.00 0.00 O ATOM 183 CB ARG A 15 16.191 23.297 21.999 1.00 0.00 C ATOM 184 CG ARG A 15 15.122 24.404 21.946 1.00 0.00 C ATOM 185 CD ARG A 15 15.175 25.197 20.635 1.00 0.00 C ATOM 186 NE ARG A 15 16.433 25.959 20.514 1.00 0.00 N ATOM 187 CZ ARG A 15 17.394 25.818 19.622 1.00 0.00 C ATOM 188 NH1 ARG A 15 17.346 24.970 18.635 1.00 0.00 N ATOM 189 NH2 ARG A 15 18.453 26.556 19.719 1.00 0.00 N ATOM 0 H ARG A 15 17.762 21.483 22.408 1.00 0.00 H new ATOM 0 HA ARG A 15 16.812 23.578 24.038 1.00 0.00 H new ATOM 0 HB2 ARG A 15 17.126 23.684 21.595 1.00 0.00 H new ATOM 0 HB3 ARG A 15 15.883 22.472 21.356 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.134 23.958 22.059 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.263 25.084 22.786 1.00 0.00 H new ATOM 0 HD2 ARG A 15 15.080 24.514 19.791 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.328 25.881 20.588 1.00 0.00 H new ATOM 0 HE ARG A 15 16.578 26.690 21.211 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.531 24.367 18.520 1.00 0.00 H new ATOM 0 HH12 ARG A 15 18.123 24.909 17.977 1.00 0.00 H new ATOM 0 HH21 ARG A 15 18.535 27.234 20.477 1.00 0.00 H new ATOM 0 HH22 ARG A 15 19.206 26.460 19.038 1.00 0.00 H new ATOM 203 N SER A 16 14.757 21.076 24.165 1.00 0.00 N ATOM 204 CA SER A 16 13.628 20.584 24.989 1.00 0.00 C ATOM 205 C SER A 16 13.797 20.821 26.498 1.00 0.00 C ATOM 206 O SER A 16 12.806 20.844 27.233 1.00 0.00 O ATOM 207 CB SER A 16 13.416 19.076 24.789 1.00 0.00 C ATOM 208 OG SER A 16 13.167 18.750 23.436 1.00 0.00 O ATOM 0 H SER A 16 15.198 20.350 23.600 1.00 0.00 H new ATOM 0 HA SER A 16 12.771 21.163 24.644 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.298 18.537 25.135 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.578 18.743 25.402 1.00 0.00 H new ATOM 0 HG SER A 16 13.039 17.782 23.351 1.00 0.00 H new ATOM 214 N LEU A 17 15.037 21.001 26.964 1.00 0.00 N ATOM 215 CA LEU A 17 15.415 21.188 28.367 1.00 0.00 C ATOM 216 C LEU A 17 15.539 22.675 28.761 1.00 0.00 C ATOM 217 O LEU A 17 15.685 22.985 29.947 1.00 0.00 O ATOM 218 CB LEU A 17 16.754 20.464 28.617 1.00 0.00 C ATOM 219 CG LEU A 17 16.917 19.063 28.004 1.00 0.00 C ATOM 220 CD1 LEU A 17 18.280 18.488 28.382 1.00 0.00 C ATOM 221 CD2 LEU A 17 15.835 18.085 28.471 1.00 0.00 C ATOM 0 H LEU A 17 15.844 21.021 26.341 1.00 0.00 H new ATOM 0 HA LEU A 17 14.623 20.768 28.987 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.557 21.096 28.236 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.898 20.381 29.694 1.00 0.00 H new ATOM 0 HG LEU A 17 16.826 19.181 26.924 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.390 17.495 27.945 1.00 0.00 H new ATOM 0 HD12 LEU A 17 19.067 19.140 28.004 1.00 0.00 H new ATOM 0 HD13 LEU A 17 18.357 18.417 29.467 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.999 17.112 28.007 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.881 17.982 29.555 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.854 18.463 28.183 1.00 0.00 H new ATOM 233 N GLY A 18 15.524 23.580 27.774 1.00 0.00 N ATOM 234 CA GLY A 18 15.664 25.029 27.956 1.00 0.00 C ATOM 235 C GLY A 18 17.082 25.593 27.830 1.00 0.00 C ATOM 236 O GLY A 18 17.284 26.764 28.160 1.00 0.00 O ATOM 0 H GLY A 18 15.410 23.314 26.796 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.030 25.529 27.224 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.278 25.289 28.942 1.00 0.00 H new ATOM 240 N LEU A 19 18.052 24.792 27.378 1.00 0.00 N ATOM 241 CA LEU A 19 19.452 25.193 27.150 1.00 0.00 C ATOM 242 C LEU A 19 19.899 24.905 25.695 1.00 0.00 C ATOM 243 O LEU A 19 19.062 24.685 24.818 1.00 0.00 O ATOM 244 CB LEU A 19 20.373 24.618 28.267 1.00 0.00 C ATOM 245 CG LEU A 19 20.369 23.105 28.581 1.00 0.00 C ATOM 246 CD1 LEU A 19 19.312 22.736 29.623 1.00 0.00 C ATOM 247 CD2 LEU A 19 20.159 22.265 27.335 1.00 0.00 C ATOM 0 H LEU A 19 17.883 23.812 27.152 1.00 0.00 H new ATOM 0 HA LEU A 19 19.544 26.276 27.238 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.397 24.892 28.013 1.00 0.00 H new ATOM 0 HB3 LEU A 19 20.123 25.140 29.191 1.00 0.00 H new ATOM 0 HG LEU A 19 21.355 22.885 28.990 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.346 21.663 29.812 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.511 23.274 30.550 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.324 23.008 29.251 1.00 0.00 H new ATOM 0 HD21 LEU A 19 20.163 21.209 27.603 1.00 0.00 H new ATOM 0 HD22 LEU A 19 19.201 22.520 26.881 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.961 22.462 26.624 1.00 0.00 H new ATOM 259 N LEU A 20 21.208 24.947 25.426 1.00 0.00 N ATOM 260 CA LEU A 20 21.824 24.791 24.096 1.00 0.00 C ATOM 261 C LEU A 20 22.844 23.638 24.064 1.00 0.00 C ATOM 262 O LEU A 20 23.264 23.137 25.112 1.00 0.00 O ATOM 263 CB LEU A 20 22.472 26.127 23.673 1.00 0.00 C ATOM 264 CG LEU A 20 21.465 27.251 23.366 1.00 0.00 C ATOM 265 CD1 LEU A 20 22.194 28.588 23.245 1.00 0.00 C ATOM 266 CD2 LEU A 20 20.731 27.003 22.048 1.00 0.00 C ATOM 0 H LEU A 20 21.901 25.097 26.159 1.00 0.00 H new ATOM 0 HA LEU A 20 21.043 24.530 23.382 1.00 0.00 H new ATOM 0 HB2 LEU A 20 23.140 26.461 24.467 1.00 0.00 H new ATOM 0 HB3 LEU A 20 23.087 25.955 22.790 1.00 0.00 H new ATOM 0 HG LEU A 20 20.746 27.270 24.185 1.00 0.00 H new ATOM 0 HD11 LEU A 20 21.474 29.377 23.028 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.704 28.810 24.182 1.00 0.00 H new ATOM 0 HD13 LEU A 20 22.925 28.532 22.438 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.029 27.816 21.864 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.453 26.956 21.233 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.187 26.060 22.106 1.00 0.00 H new ATOM 278 N GLY A 21 23.228 23.208 22.860 1.00 0.00 N ATOM 279 CA GLY A 21 24.135 22.082 22.637 1.00 0.00 C ATOM 280 C GLY A 21 25.625 22.439 22.642 1.00 0.00 C ATOM 281 O GLY A 21 26.040 23.526 22.225 1.00 0.00 O ATOM 0 H GLY A 21 22.909 23.643 21.994 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.954 21.332 23.407 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.890 21.622 21.680 1.00 0.00 H new ATOM 285 N LYS A 22 26.435 21.479 23.086 1.00 0.00 N ATOM 286 CA LYS A 22 27.897 21.419 22.917 1.00 0.00 C ATOM 287 C LYS A 22 28.361 20.002 22.527 1.00 0.00 C ATOM 288 O LYS A 22 27.779 19.009 22.953 1.00 0.00 O ATOM 289 CB LYS A 22 28.561 21.931 24.213 1.00 0.00 C ATOM 290 CG LYS A 22 30.095 21.827 24.201 1.00 0.00 C ATOM 291 CD LYS A 22 30.774 22.495 25.403 1.00 0.00 C ATOM 292 CE LYS A 22 30.703 24.025 25.339 1.00 0.00 C ATOM 293 NZ LYS A 22 31.382 24.628 26.505 1.00 0.00 N ATOM 0 H LYS A 22 26.075 20.676 23.602 1.00 0.00 H new ATOM 0 HA LYS A 22 28.204 22.062 22.092 1.00 0.00 H new ATOM 0 HB2 LYS A 22 28.277 22.971 24.370 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.173 21.363 25.059 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.378 20.775 24.176 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.473 22.281 23.285 1.00 0.00 H new ATOM 0 HD2 LYS A 22 30.300 22.150 26.322 1.00 0.00 H new ATOM 0 HD3 LYS A 22 31.818 22.184 25.446 1.00 0.00 H new ATOM 0 HE2 LYS A 22 31.168 24.378 24.418 1.00 0.00 H new ATOM 0 HE3 LYS A 22 29.661 24.345 25.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.323 25.664 26.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.921 24.306 27.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 32.381 24.338 26.513 1.00 0.00 H new ATOM 307 N CYS A 23 29.436 19.893 21.752 1.00 0.00 N ATOM 308 CA CYS A 23 30.170 18.647 21.540 1.00 0.00 C ATOM 309 C CYS A 23 31.315 18.495 22.555 1.00 0.00 C ATOM 310 O CYS A 23 32.136 19.404 22.704 1.00 0.00 O ATOM 311 CB CYS A 23 30.688 18.619 20.102 1.00 0.00 C ATOM 312 SG CYS A 23 29.401 18.275 18.877 1.00 0.00 S ATOM 0 H CYS A 23 29.830 20.684 21.243 1.00 0.00 H new ATOM 0 HA CYS A 23 29.501 17.801 21.696 1.00 0.00 H new ATOM 0 HB2 CYS A 23 31.150 19.579 19.872 1.00 0.00 H new ATOM 0 HB3 CYS A 23 31.468 17.862 20.020 1.00 0.00 H new ATOM 0 HG CYS A 23 29.924 18.271 17.687 1.00 0.00 H new ATOM 317 N ILE A 24 31.389 17.342 23.227 1.00 0.00 N ATOM 318 CA ILE A 24 32.521 16.930 24.071 1.00 0.00 C ATOM 319 C ILE A 24 32.892 15.485 23.717 1.00 0.00 C ATOM 320 O ILE A 24 32.075 14.570 23.827 1.00 0.00 O ATOM 321 CB ILE A 24 32.221 17.093 25.582 1.00 0.00 C ATOM 322 CG1 ILE A 24 31.769 18.538 25.903 1.00 0.00 C ATOM 323 CG2 ILE A 24 33.472 16.707 26.401 1.00 0.00 C ATOM 324 CD1 ILE A 24 31.566 18.841 27.391 1.00 0.00 C ATOM 0 H ILE A 24 30.642 16.648 23.200 1.00 0.00 H new ATOM 0 HA ILE A 24 33.369 17.585 23.870 1.00 0.00 H new ATOM 0 HB ILE A 24 31.402 16.427 25.855 1.00 0.00 H new ATOM 0 HG12 ILE A 24 32.511 19.231 25.505 1.00 0.00 H new ATOM 0 HG13 ILE A 24 30.835 18.735 25.377 1.00 0.00 H new ATOM 0 HG21 ILE A 24 33.261 16.822 27.464 1.00 0.00 H new ATOM 0 HG22 ILE A 24 33.737 15.670 26.194 1.00 0.00 H new ATOM 0 HG23 ILE A 24 34.303 17.356 26.124 1.00 0.00 H new ATOM 0 HD11 ILE A 24 31.250 19.877 27.512 1.00 0.00 H new ATOM 0 HD12 ILE A 24 30.801 18.179 27.796 1.00 0.00 H new ATOM 0 HD13 ILE A 24 32.503 18.683 27.926 1.00 0.00 H new ATOM 336 N GLY A 25 34.132 15.270 23.280 1.00 0.00 N ATOM 337 CA GLY A 25 34.577 13.996 22.698 1.00 0.00 C ATOM 338 C GLY A 25 33.859 13.638 21.386 1.00 0.00 C ATOM 339 O GLY A 25 33.638 12.458 21.114 1.00 0.00 O ATOM 0 H GLY A 25 34.865 15.978 23.318 1.00 0.00 H new ATOM 0 HA2 GLY A 25 35.650 14.045 22.514 1.00 0.00 H new ATOM 0 HA3 GLY A 25 34.413 13.198 23.422 1.00 0.00 H new ATOM 343 N GLU A 26 33.473 14.643 20.588 1.00 0.00 N ATOM 344 CA GLU A 26 32.641 14.536 19.374 1.00 0.00 C ATOM 345 C GLU A 26 31.207 13.998 19.604 1.00 0.00 C ATOM 346 O GLU A 26 30.545 13.592 18.651 1.00 0.00 O ATOM 347 CB GLU A 26 33.414 13.828 18.237 1.00 0.00 C ATOM 348 CG GLU A 26 34.590 14.660 17.699 1.00 0.00 C ATOM 349 CD GLU A 26 35.604 13.777 16.964 1.00 0.00 C ATOM 350 OE1 GLU A 26 35.379 13.349 15.816 1.00 0.00 O ATOM 351 OE2 GLU A 26 36.675 13.454 17.545 1.00 0.00 O ATOM 0 H GLU A 26 33.746 15.607 20.780 1.00 0.00 H new ATOM 0 HA GLU A 26 32.449 15.557 19.045 1.00 0.00 H new ATOM 0 HB2 GLU A 26 33.790 12.872 18.601 1.00 0.00 H new ATOM 0 HB3 GLU A 26 32.727 13.610 17.419 1.00 0.00 H new ATOM 0 HG2 GLU A 26 34.216 15.428 17.023 1.00 0.00 H new ATOM 0 HG3 GLU A 26 35.083 15.174 18.524 1.00 0.00 H new ATOM 358 N GLU A 27 30.684 14.030 20.835 1.00 0.00 N ATOM 359 CA GLU A 27 29.297 13.649 21.170 1.00 0.00 C ATOM 360 C GLU A 27 28.583 14.756 21.967 1.00 0.00 C ATOM 361 O GLU A 27 29.217 15.579 22.627 1.00 0.00 O ATOM 362 CB GLU A 27 29.292 12.307 21.934 1.00 0.00 C ATOM 363 CG GLU A 27 28.220 11.299 21.478 1.00 0.00 C ATOM 364 CD GLU A 27 26.778 11.722 21.788 1.00 0.00 C ATOM 365 OE1 GLU A 27 26.272 11.438 22.904 1.00 0.00 O ATOM 366 OE2 GLU A 27 26.125 12.322 20.902 1.00 0.00 O ATOM 0 H GLU A 27 31.222 14.328 21.649 1.00 0.00 H new ATOM 0 HA GLU A 27 28.739 13.522 20.242 1.00 0.00 H new ATOM 0 HB2 GLU A 27 30.273 11.843 21.829 1.00 0.00 H new ATOM 0 HB3 GLU A 27 29.148 12.511 22.995 1.00 0.00 H new ATOM 0 HG2 GLU A 27 28.317 11.145 20.403 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.415 10.339 21.956 1.00 0.00 H new ATOM 373 N CYS A 28 27.252 14.775 21.913 1.00 0.00 N ATOM 374 CA CYS A 28 26.398 15.794 22.500 1.00 0.00 C ATOM 375 C CYS A 28 26.419 15.792 24.035 1.00 0.00 C ATOM 376 O CYS A 28 26.204 14.762 24.681 1.00 0.00 O ATOM 377 CB CYS A 28 24.976 15.565 21.977 1.00 0.00 C ATOM 378 SG CYS A 28 23.751 16.797 22.499 1.00 0.00 S ATOM 0 H CYS A 28 26.721 14.046 21.437 1.00 0.00 H new ATOM 0 HA CYS A 28 26.774 16.774 22.207 1.00 0.00 H new ATOM 0 HB2 CYS A 28 25.006 15.545 20.888 1.00 0.00 H new ATOM 0 HB3 CYS A 28 24.640 14.581 22.304 1.00 0.00 H new ATOM 383 N LYS A 29 26.607 16.987 24.597 1.00 0.00 N ATOM 384 CA LYS A 29 26.384 17.401 25.991 1.00 0.00 C ATOM 385 C LYS A 29 25.788 18.816 26.002 1.00 0.00 C ATOM 386 O LYS A 29 26.079 19.610 25.115 1.00 0.00 O ATOM 387 CB LYS A 29 27.722 17.394 26.753 1.00 0.00 C ATOM 388 CG LYS A 29 28.400 16.020 26.902 1.00 0.00 C ATOM 389 CD LYS A 29 27.538 14.995 27.651 1.00 0.00 C ATOM 390 CE LYS A 29 28.298 13.677 27.798 1.00 0.00 C ATOM 391 NZ LYS A 29 27.401 12.605 28.283 1.00 0.00 N ATOM 0 H LYS A 29 26.952 17.767 24.037 1.00 0.00 H new ATOM 0 HA LYS A 29 25.696 16.709 26.476 1.00 0.00 H new ATOM 0 HB2 LYS A 29 28.413 18.066 26.243 1.00 0.00 H new ATOM 0 HB3 LYS A 29 27.554 17.805 27.748 1.00 0.00 H new ATOM 0 HG2 LYS A 29 28.637 15.630 25.912 1.00 0.00 H new ATOM 0 HG3 LYS A 29 29.345 16.145 27.430 1.00 0.00 H new ATOM 0 HD2 LYS A 29 27.272 15.382 28.635 1.00 0.00 H new ATOM 0 HD3 LYS A 29 26.606 14.828 27.111 1.00 0.00 H new ATOM 0 HE2 LYS A 29 28.728 13.391 26.838 1.00 0.00 H new ATOM 0 HE3 LYS A 29 29.127 13.806 28.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 27.937 11.719 28.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 27.010 12.872 29.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 26.624 12.470 27.605 1.00 0.00 H new ATOM 405 N CYS A 30 24.972 19.182 26.985 1.00 0.00 N ATOM 406 CA CYS A 30 24.340 20.501 27.012 1.00 0.00 C ATOM 407 C CYS A 30 25.071 21.521 27.911 1.00 0.00 C ATOM 408 O CYS A 30 25.764 21.163 28.872 1.00 0.00 O ATOM 409 CB CYS A 30 22.876 20.342 27.392 1.00 0.00 C ATOM 410 SG CYS A 30 21.872 19.171 26.413 1.00 0.00 S ATOM 0 H CYS A 30 24.731 18.584 27.776 1.00 0.00 H new ATOM 0 HA CYS A 30 24.410 20.926 26.011 1.00 0.00 H new ATOM 0 HB2 CYS A 30 22.831 20.032 28.436 1.00 0.00 H new ATOM 0 HB3 CYS A 30 22.404 21.323 27.330 1.00 0.00 H new ATOM 415 N VAL A 31 24.910 22.811 27.600 1.00 0.00 N ATOM 416 CA VAL A 31 25.545 23.940 28.317 1.00 0.00 C ATOM 417 C VAL A 31 24.747 24.404 29.556 1.00 0.00 C ATOM 418 O VAL A 31 23.528 24.198 29.616 1.00 0.00 O ATOM 419 CB VAL A 31 25.815 25.133 27.369 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.587 24.697 26.118 1.00 0.00 C ATOM 421 CG2 VAL A 31 24.544 25.876 26.938 1.00 0.00 C ATOM 0 H VAL A 31 24.321 23.115 26.824 1.00 0.00 H new ATOM 0 HA VAL A 31 26.499 23.558 28.682 1.00 0.00 H new ATOM 0 HB VAL A 31 26.420 25.824 27.955 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.758 25.561 25.476 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.545 24.269 26.413 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.008 23.951 25.575 1.00 0.00 H new ATOM 0 HG21 VAL A 31 24.811 26.699 26.275 1.00 0.00 H new ATOM 0 HG22 VAL A 31 23.881 25.188 26.414 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.036 26.269 27.819 1.00 0.00 H new