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= -0.156 K(o=-0.16,f=-1.4) USER MOD Single : A 13 SER OG : rot 84:sc= 1.33 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 30:sc= 0.147 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 29.661 15.908 16.962 1.00 0.00 N ATOM 62 CA ASN A 6 28.236 15.575 16.859 1.00 0.00 C ATOM 63 C ASN A 6 27.400 16.681 17.527 1.00 0.00 C ATOM 64 O ASN A 6 27.445 16.836 18.750 1.00 0.00 O ATOM 65 CB ASN A 6 27.998 14.192 17.498 1.00 0.00 C ATOM 66 CG ASN A 6 26.539 13.760 17.495 1.00 0.00 C ATOM 67 OD1 ASN A 6 25.660 14.374 16.908 1.00 0.00 O ATOM 68 ND2 ASN A 6 26.242 12.679 18.169 1.00 0.00 N ATOM 0 HA ASN A 6 27.925 15.520 15.816 1.00 0.00 H new ATOM 0 HB2 ASN A 6 28.589 13.448 16.964 1.00 0.00 H new ATOM 0 HB3 ASN A 6 28.361 14.209 18.526 1.00 0.00 H new ATOM 0 HD21 ASN A 6 25.278 12.349 18.204 1.00 0.00 H new ATOM 0 HD22 ASN A 6 26.975 12.166 18.659 1.00 0.00 H new ATOM 75 N LEU A 7 26.677 17.463 16.720 1.00 0.00 N ATOM 76 CA LEU A 7 25.987 18.667 17.189 1.00 0.00 C ATOM 77 C LEU A 7 24.694 19.022 16.427 1.00 0.00 C ATOM 78 O LEU A 7 23.847 19.723 16.984 1.00 0.00 O ATOM 79 CB LEU A 7 26.994 19.834 17.129 1.00 0.00 C ATOM 80 CG LEU A 7 26.662 21.017 18.060 1.00 0.00 C ATOM 81 CD1 LEU A 7 26.760 20.641 19.542 1.00 0.00 C ATOM 82 CD2 LEU A 7 27.670 22.138 17.818 1.00 0.00 C ATOM 0 H LEU A 7 26.554 17.279 15.724 1.00 0.00 H new ATOM 0 HA LEU A 7 25.647 18.471 18.206 1.00 0.00 H new ATOM 0 HB2 LEU A 7 27.984 19.456 17.383 1.00 0.00 H new ATOM 0 HB3 LEU A 7 27.046 20.199 16.103 1.00 0.00 H new ATOM 0 HG LEU A 7 25.639 21.320 17.837 1.00 0.00 H new ATOM 0 HD11 LEU A 7 26.517 21.509 20.154 1.00 0.00 H new ATOM 0 HD12 LEU A 7 26.059 19.835 19.760 1.00 0.00 H new ATOM 0 HD13 LEU A 7 27.774 20.311 19.767 1.00 0.00 H new ATOM 0 HD21 LEU A 7 27.443 22.979 18.473 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.676 21.775 18.030 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.612 22.461 16.779 1.00 0.00 H new ATOM 94 N ALA A 8 24.520 18.557 15.184 1.00 0.00 N ATOM 95 CA ALA A 8 23.515 19.093 14.257 1.00 0.00 C ATOM 96 C ALA A 8 22.066 18.988 14.777 1.00 0.00 C ATOM 97 O ALA A 8 21.352 19.995 14.795 1.00 0.00 O ATOM 98 CB ALA A 8 23.683 18.396 12.900 1.00 0.00 C ATOM 0 H ALA A 8 25.074 17.796 14.791 1.00 0.00 H new ATOM 0 HA ALA A 8 23.690 20.164 14.156 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.944 18.782 12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 8 24.684 18.588 12.514 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.541 17.322 13.022 1.00 0.00 H new ATOM 104 N ALA A 9 21.663 17.806 15.260 1.00 0.00 N ATOM 105 CA ALA A 9 20.381 17.564 15.929 1.00 0.00 C ATOM 106 C ALA A 9 20.485 17.667 17.467 1.00 0.00 C ATOM 107 O ALA A 9 19.472 17.655 18.174 1.00 0.00 O ATOM 108 CB ALA A 9 19.835 16.206 15.469 1.00 0.00 C ATOM 0 H ALA A 9 22.239 16.967 15.193 1.00 0.00 H new ATOM 0 HA ALA A 9 19.679 18.347 15.642 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.881 16.013 15.959 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.692 16.218 14.388 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.544 15.421 15.732 1.00 0.00 H new ATOM 114 N CYS A 10 21.705 17.808 17.987 1.00 0.00 N ATOM 115 CA CYS A 10 22.006 17.921 19.412 1.00 0.00 C ATOM 116 C CYS A 10 21.433 19.229 19.963 1.00 0.00 C ATOM 117 O CYS A 10 20.608 19.184 20.869 1.00 0.00 O ATOM 118 CB CYS A 10 23.521 17.841 19.624 1.00 0.00 C ATOM 119 SG CYS A 10 24.069 17.593 21.331 1.00 0.00 S ATOM 0 H CYS A 10 22.541 17.848 17.404 1.00 0.00 H new ATOM 0 HA CYS A 10 21.542 17.097 19.954 1.00 0.00 H new ATOM 0 HB2 CYS A 10 23.911 17.025 19.016 1.00 0.00 H new ATOM 0 HB3 CYS A 10 23.970 18.761 19.249 1.00 0.00 H new ATOM 124 N GLU A 11 21.743 20.376 19.340 1.00 0.00 N ATOM 125 CA GLU A 11 21.139 21.680 19.671 1.00 0.00 C ATOM 126 C GLU A 11 19.604 21.625 19.697 1.00 0.00 C ATOM 127 O GLU A 11 18.981 22.073 20.660 1.00 0.00 O ATOM 128 CB GLU A 11 21.597 22.727 18.638 1.00 0.00 C ATOM 129 CG GLU A 11 22.912 23.414 19.028 1.00 0.00 C ATOM 130 CD GLU A 11 22.692 24.648 19.918 1.00 0.00 C ATOM 131 OE1 GLU A 11 21.790 24.637 20.804 1.00 0.00 O ATOM 132 OE2 GLU A 11 23.399 25.663 19.747 1.00 0.00 O ATOM 0 H GLU A 11 22.426 20.427 18.585 1.00 0.00 H new ATOM 0 HA GLU A 11 21.472 21.954 20.672 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.719 22.244 17.668 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.819 23.481 18.523 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.549 22.701 19.552 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.444 23.712 18.125 1.00 0.00 H new ATOM 139 N LEU A 12 19.001 20.991 18.686 1.00 0.00 N ATOM 140 CA LEU A 12 17.547 20.828 18.567 1.00 0.00 C ATOM 141 C LEU A 12 16.944 20.013 19.730 1.00 0.00 C ATOM 142 O LEU A 12 15.778 20.206 20.088 1.00 0.00 O ATOM 143 CB LEU A 12 17.209 20.147 17.222 1.00 0.00 C ATOM 144 CG LEU A 12 17.880 20.743 15.969 1.00 0.00 C ATOM 145 CD1 LEU A 12 17.390 20.005 14.724 1.00 0.00 C ATOM 146 CD2 LEU A 12 17.556 22.228 15.798 1.00 0.00 C ATOM 0 H LEU A 12 19.518 20.569 17.914 1.00 0.00 H new ATOM 0 HA LEU A 12 17.105 21.824 18.608 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.486 19.095 17.291 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.129 20.183 17.082 1.00 0.00 H new ATOM 0 HG LEU A 12 18.957 20.630 16.095 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.866 20.428 13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.646 18.948 14.803 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.308 20.111 14.640 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.049 22.607 14.903 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.478 22.356 15.700 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.910 22.780 16.669 1.00 0.00 H new ATOM 158 N SER A 13 17.751 19.139 20.334 1.00 0.00 N ATOM 159 CA SER A 13 17.395 18.254 21.449 1.00 0.00 C ATOM 160 C SER A 13 17.717 18.872 22.820 1.00 0.00 C ATOM 161 O SER A 13 16.970 18.667 23.776 1.00 0.00 O ATOM 162 CB SER A 13 18.112 16.910 21.266 1.00 0.00 C ATOM 163 OG SER A 13 17.883 16.386 19.961 1.00 0.00 O ATOM 0 H SER A 13 18.722 19.022 20.045 1.00 0.00 H new ATOM 0 HA SER A 13 16.316 18.103 21.435 1.00 0.00 H new ATOM 0 HB2 SER A 13 19.182 17.039 21.428 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.760 16.200 22.014 1.00 0.00 H new ATOM 0 HG SER A 13 18.524 16.780 19.333 1.00 0.00 H new ATOM 169 N CYS A 14 18.753 19.718 22.919 1.00 0.00 N ATOM 170 CA CYS A 14 19.078 20.478 24.127 1.00 0.00 C ATOM 171 C CYS A 14 17.972 21.484 24.501 1.00 0.00 C ATOM 172 O CYS A 14 17.819 21.822 25.676 1.00 0.00 O ATOM 173 CB CYS A 14 20.403 21.218 23.909 1.00 0.00 C ATOM 174 SG CYS A 14 21.849 20.211 23.484 1.00 0.00 S ATOM 0 H CYS A 14 19.397 19.894 22.147 1.00 0.00 H new ATOM 0 HA CYS A 14 19.164 19.774 24.955 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.255 21.950 23.115 1.00 0.00 H new ATOM 0 HB3 CYS A 14 20.633 21.775 24.817 1.00 0.00 H new ATOM 179 N ARG A 15 17.165 21.916 23.519 1.00 0.00 N ATOM 180 CA ARG A 15 16.040 22.850 23.694 1.00 0.00 C ATOM 181 C ARG A 15 15.043 22.395 24.762 1.00 0.00 C ATOM 182 O ARG A 15 14.714 23.161 25.665 1.00 0.00 O ATOM 183 CB ARG A 15 15.355 23.081 22.331 1.00 0.00 C ATOM 184 CG ARG A 15 14.980 24.549 22.063 1.00 0.00 C ATOM 185 CD ARG A 15 16.098 25.334 21.359 1.00 0.00 C ATOM 186 NE ARG A 15 17.359 25.326 22.125 1.00 0.00 N ATOM 187 CZ ARG A 15 18.570 25.101 21.658 1.00 0.00 C ATOM 188 NH1 ARG A 15 18.883 25.136 20.398 1.00 0.00 N ATOM 189 NH2 ARG A 15 19.550 24.835 22.461 1.00 0.00 N ATOM 0 H ARG A 15 17.281 21.616 22.551 1.00 0.00 H new ATOM 0 HA ARG A 15 16.441 23.795 24.062 1.00 0.00 H new ATOM 0 HB2 ARG A 15 16.019 22.735 21.539 1.00 0.00 H new ATOM 0 HB3 ARG A 15 14.453 22.471 22.280 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.079 24.582 21.451 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.741 25.036 23.008 1.00 0.00 H new ATOM 0 HD2 ARG A 15 16.273 24.906 20.372 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.775 26.364 21.207 1.00 0.00 H new ATOM 0 HE ARG A 15 17.285 25.515 23.125 1.00 0.00 H new ATOM 0 HH11 ARG A 15 18.169 25.348 19.701 1.00 0.00 H new ATOM 0 HH12 ARG A 15 19.843 24.951 20.106 1.00 0.00 H new ATOM 0 HH21 ARG A 15 19.389 24.798 23.468 1.00 0.00 H new ATOM 0 HH22 ARG A 15 20.483 24.663 22.087 1.00 0.00 H new ATOM 203 N SER A 16 14.641 21.123 24.747 1.00 0.00 N ATOM 204 CA SER A 16 13.749 20.538 25.765 1.00 0.00 C ATOM 205 C SER A 16 14.434 20.216 27.106 1.00 0.00 C ATOM 206 O SER A 16 13.751 19.838 28.061 1.00 0.00 O ATOM 207 CB SER A 16 12.984 19.331 25.211 1.00 0.00 C ATOM 208 OG SER A 16 13.845 18.364 24.639 1.00 0.00 O ATOM 0 H SER A 16 14.924 20.460 24.025 1.00 0.00 H new ATOM 0 HA SER A 16 13.029 21.322 26.002 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.407 18.871 26.013 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.271 19.670 24.459 1.00 0.00 H new ATOM 0 HG SER A 16 13.314 17.613 24.301 1.00 0.00 H new ATOM 214 N LEU A 17 15.749 20.442 27.227 1.00 0.00 N ATOM 215 CA LEU A 17 16.473 20.516 28.505 1.00 0.00 C ATOM 216 C LEU A 17 16.595 21.962 29.026 1.00 0.00 C ATOM 217 O LEU A 17 16.831 22.165 30.218 1.00 0.00 O ATOM 218 CB LEU A 17 17.880 19.895 28.361 1.00 0.00 C ATOM 219 CG LEU A 17 17.947 18.506 27.699 1.00 0.00 C ATOM 220 CD1 LEU A 17 19.402 18.055 27.590 1.00 0.00 C ATOM 221 CD2 LEU A 17 17.178 17.447 28.488 1.00 0.00 C ATOM 0 H LEU A 17 16.355 20.582 26.419 1.00 0.00 H new ATOM 0 HA LEU A 17 15.892 19.950 29.233 1.00 0.00 H new ATOM 0 HB2 LEU A 17 18.499 20.580 27.782 1.00 0.00 H new ATOM 0 HB3 LEU A 17 18.326 19.823 29.353 1.00 0.00 H new ATOM 0 HG LEU A 17 17.490 18.603 26.714 1.00 0.00 H new ATOM 0 HD11 LEU A 17 19.444 17.072 27.121 1.00 0.00 H new ATOM 0 HD12 LEU A 17 19.960 18.770 26.985 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.842 18.001 28.586 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.256 16.486 27.979 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.599 17.363 29.490 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.129 17.736 28.558 1.00 0.00 H new ATOM 233 N GLY A 18 16.447 22.970 28.158 1.00 0.00 N ATOM 234 CA GLY A 18 16.754 24.379 28.442 1.00 0.00 C ATOM 235 C GLY A 18 18.246 24.728 28.332 1.00 0.00 C ATOM 236 O GLY A 18 18.682 25.759 28.858 1.00 0.00 O ATOM 0 H GLY A 18 16.100 22.824 27.210 1.00 0.00 H new ATOM 0 HA2 GLY A 18 16.192 25.009 27.752 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.408 24.620 29.447 1.00 0.00 H new ATOM 240 N LEU A 19 19.041 23.857 27.700 1.00 0.00 N ATOM 241 CA LEU A 19 20.481 24.041 27.494 1.00 0.00 C ATOM 242 C LEU A 19 20.760 24.461 26.046 1.00 0.00 C ATOM 243 O LEU A 19 20.008 24.157 25.120 1.00 0.00 O ATOM 244 CB LEU A 19 21.274 22.757 27.830 1.00 0.00 C ATOM 245 CG LEU A 19 21.511 22.384 29.317 1.00 0.00 C ATOM 246 CD1 LEU A 19 20.403 22.789 30.288 1.00 0.00 C ATOM 247 CD2 LEU A 19 21.753 20.888 29.493 1.00 0.00 C ATOM 0 H LEU A 19 18.691 22.983 27.308 1.00 0.00 H new ATOM 0 HA LEU A 19 20.813 24.828 28.171 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.758 21.920 27.359 1.00 0.00 H new ATOM 0 HB3 LEU A 19 22.250 22.839 27.352 1.00 0.00 H new ATOM 0 HG LEU A 19 22.395 22.968 29.572 1.00 0.00 H new ATOM 0 HD11 LEU A 19 20.673 22.480 31.298 1.00 0.00 H new ATOM 0 HD12 LEU A 19 20.274 23.871 30.262 1.00 0.00 H new ATOM 0 HD13 LEU A 19 19.470 22.306 29.998 1.00 0.00 H new ATOM 0 HD21 LEU A 19 21.915 20.667 30.548 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.885 20.334 29.135 1.00 0.00 H new ATOM 0 HD23 LEU A 19 22.633 20.592 28.921 1.00 0.00 H new ATOM 259 N LEU A 20 21.912 25.090 25.858 1.00 0.00 N ATOM 260 CA LEU A 20 22.578 25.248 24.574 1.00 0.00 C ATOM 261 C LEU A 20 23.269 23.911 24.246 1.00 0.00 C ATOM 262 O LEU A 20 23.729 23.218 25.153 1.00 0.00 O ATOM 263 CB LEU A 20 23.576 26.425 24.668 1.00 0.00 C ATOM 264 CG LEU A 20 22.940 27.836 24.704 1.00 0.00 C ATOM 265 CD1 LEU A 20 22.161 28.159 25.983 1.00 0.00 C ATOM 266 CD2 LEU A 20 24.033 28.890 24.578 1.00 0.00 C ATOM 0 H LEU A 20 22.427 25.520 26.626 1.00 0.00 H new ATOM 0 HA LEU A 20 21.879 25.484 23.772 1.00 0.00 H new ATOM 0 HB2 LEU A 20 24.181 26.295 25.565 1.00 0.00 H new ATOM 0 HB3 LEU A 20 24.254 26.373 23.816 1.00 0.00 H new ATOM 0 HG LEU A 20 22.234 27.846 23.874 1.00 0.00 H new ATOM 0 HD11 LEU A 20 21.753 29.167 25.916 1.00 0.00 H new ATOM 0 HD12 LEU A 20 21.346 27.445 26.103 1.00 0.00 H new ATOM 0 HD13 LEU A 20 22.829 28.095 26.842 1.00 0.00 H new ATOM 0 HD21 LEU A 20 23.585 29.883 24.603 1.00 0.00 H new ATOM 0 HD22 LEU A 20 24.735 28.787 25.406 1.00 0.00 H new ATOM 0 HD23 LEU A 20 24.562 28.755 23.635 1.00 0.00 H new ATOM 278 N GLY A 21 23.349 23.509 22.978 1.00 0.00 N ATOM 279 CA GLY A 21 24.206 22.385 22.584 1.00 0.00 C ATOM 280 C GLY A 21 25.678 22.779 22.545 1.00 0.00 C ATOM 281 O GLY A 21 26.062 23.599 21.711 1.00 0.00 O ATOM 0 H GLY A 21 22.836 23.940 22.209 1.00 0.00 H new ATOM 0 HA2 GLY A 21 24.069 21.561 23.284 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.901 22.023 21.602 1.00 0.00 H new ATOM 285 N LYS A 22 26.505 22.171 23.407 1.00 0.00 N ATOM 286 CA LYS A 22 27.978 22.256 23.334 1.00 0.00 C ATOM 287 C LYS A 22 28.605 20.894 23.662 1.00 0.00 C ATOM 288 O LYS A 22 28.404 20.337 24.737 1.00 0.00 O ATOM 289 CB LYS A 22 28.489 23.398 24.231 1.00 0.00 C ATOM 290 CG LYS A 22 30.006 23.635 24.125 1.00 0.00 C ATOM 291 CD LYS A 22 30.490 24.819 24.984 1.00 0.00 C ATOM 292 CE LYS A 22 30.171 26.185 24.364 1.00 0.00 C ATOM 293 NZ LYS A 22 30.594 27.308 25.238 1.00 0.00 N ATOM 0 H LYS A 22 26.171 21.600 24.183 1.00 0.00 H new ATOM 0 HA LYS A 22 28.286 22.500 22.317 1.00 0.00 H new ATOM 0 HB2 LYS A 22 27.967 24.318 23.966 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.236 23.175 25.268 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.532 22.731 24.432 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.268 23.818 23.083 1.00 0.00 H new ATOM 0 HD2 LYS A 22 30.028 24.758 25.969 1.00 0.00 H new ATOM 0 HD3 LYS A 22 31.567 24.737 25.131 1.00 0.00 H new ATOM 0 HE2 LYS A 22 30.670 26.270 23.399 1.00 0.00 H new ATOM 0 HE3 LYS A 22 29.100 26.256 24.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 30.359 28.212 24.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.099 27.243 26.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.621 27.257 25.397 1.00 0.00 H new ATOM 307 N CYS A 23 29.337 20.359 22.691 1.00 0.00 N ATOM 308 CA CYS A 23 29.837 18.982 22.658 1.00 0.00 C ATOM 309 C CYS A 23 31.070 18.749 23.555 1.00 0.00 C ATOM 310 O CYS A 23 31.890 19.649 23.753 1.00 0.00 O ATOM 311 CB CYS A 23 30.106 18.616 21.190 1.00 0.00 C ATOM 312 SG CYS A 23 31.147 19.799 20.289 1.00 0.00 S ATOM 0 H CYS A 23 29.612 20.894 21.867 1.00 0.00 H new ATOM 0 HA CYS A 23 29.078 18.322 23.079 1.00 0.00 H new ATOM 0 HB2 CYS A 23 30.581 17.636 21.156 1.00 0.00 H new ATOM 0 HB3 CYS A 23 29.151 18.526 20.672 1.00 0.00 H new ATOM 0 HG CYS A 23 31.973 20.368 21.116 1.00 0.00 H new ATOM 317 N ILE A 24 31.203 17.527 24.087 1.00 0.00 N ATOM 318 CA ILE A 24 32.249 17.103 25.036 1.00 0.00 C ATOM 319 C ILE A 24 32.799 15.734 24.614 1.00 0.00 C ATOM 320 O ILE A 24 32.023 14.815 24.342 1.00 0.00 O ATOM 321 CB ILE A 24 31.666 17.034 26.466 1.00 0.00 C ATOM 322 CG1 ILE A 24 31.034 18.361 26.948 1.00 0.00 C ATOM 323 CG2 ILE A 24 32.706 16.532 27.485 1.00 0.00 C ATOM 324 CD1 ILE A 24 32.017 19.508 27.220 1.00 0.00 C ATOM 0 H ILE A 24 30.557 16.771 23.860 1.00 0.00 H new ATOM 0 HA ILE A 24 33.063 17.828 25.029 1.00 0.00 H new ATOM 0 HB ILE A 24 30.855 16.308 26.405 1.00 0.00 H new ATOM 0 HG12 ILE A 24 30.316 18.693 26.198 1.00 0.00 H new ATOM 0 HG13 ILE A 24 30.473 18.164 27.862 1.00 0.00 H new ATOM 0 HG21 ILE A 24 32.256 16.498 28.477 1.00 0.00 H new ATOM 0 HG22 ILE A 24 33.039 15.533 27.203 1.00 0.00 H new ATOM 0 HG23 ILE A 24 33.560 17.209 27.497 1.00 0.00 H new ATOM 0 HD11 ILE A 24 31.466 20.388 27.552 1.00 0.00 H new ATOM 0 HD12 ILE A 24 32.722 19.207 27.995 1.00 0.00 H new ATOM 0 HD13 ILE A 24 32.562 19.745 26.306 1.00 0.00 H new ATOM 336 N GLY A 25 34.125 15.579 24.550 1.00 0.00 N ATOM 337 CA GLY A 25 34.770 14.392 23.963 1.00 0.00 C ATOM 338 C GLY A 25 34.415 14.180 22.480 1.00 0.00 C ATOM 339 O GLY A 25 34.327 13.043 22.025 1.00 0.00 O ATOM 0 H GLY A 25 34.785 16.272 24.903 1.00 0.00 H new ATOM 0 HA2 GLY A 25 35.851 14.488 24.061 1.00 0.00 H new ATOM 0 HA3 GLY A 25 34.476 13.509 24.530 1.00 0.00 H new ATOM 343 N GLU A 26 34.126 15.276 21.770 1.00 0.00 N ATOM 344 CA GLU A 26 33.556 15.375 20.414 1.00 0.00 C ATOM 345 C GLU A 26 32.176 14.696 20.210 1.00 0.00 C ATOM 346 O GLU A 26 31.687 14.592 19.078 1.00 0.00 O ATOM 347 CB GLU A 26 34.617 15.046 19.339 1.00 0.00 C ATOM 348 CG GLU A 26 35.940 15.791 19.605 1.00 0.00 C ATOM 349 CD GLU A 26 36.866 15.920 18.391 1.00 0.00 C ATOM 350 OE1 GLU A 26 37.252 14.896 17.777 1.00 0.00 O ATOM 351 OE2 GLU A 26 37.308 17.054 18.083 1.00 0.00 O ATOM 0 H GLU A 26 34.299 16.202 22.162 1.00 0.00 H new ATOM 0 HA GLU A 26 33.288 16.423 20.278 1.00 0.00 H new ATOM 0 HB2 GLU A 26 34.800 13.972 19.324 1.00 0.00 H new ATOM 0 HB3 GLU A 26 34.236 15.319 18.355 1.00 0.00 H new ATOM 0 HG2 GLU A 26 35.709 16.790 19.975 1.00 0.00 H new ATOM 0 HG3 GLU A 26 36.477 15.274 20.400 1.00 0.00 H new ATOM 358 N GLU A 27 31.496 14.321 21.301 1.00 0.00 N ATOM 359 CA GLU A 27 30.161 13.717 21.354 1.00 0.00 C ATOM 360 C GLU A 27 29.084 14.755 21.750 1.00 0.00 C ATOM 361 O GLU A 27 29.384 15.762 22.398 1.00 0.00 O ATOM 362 CB GLU A 27 30.180 12.569 22.383 1.00 0.00 C ATOM 363 CG GLU A 27 31.163 11.418 22.099 1.00 0.00 C ATOM 364 CD GLU A 27 30.567 10.325 21.215 1.00 0.00 C ATOM 365 OE1 GLU A 27 29.908 9.402 21.743 1.00 0.00 O ATOM 366 OE2 GLU A 27 30.770 10.340 19.977 1.00 0.00 O ATOM 0 H GLU A 27 31.892 14.440 22.233 1.00 0.00 H new ATOM 0 HA GLU A 27 29.908 13.339 20.363 1.00 0.00 H new ATOM 0 HB2 GLU A 27 30.417 12.989 23.360 1.00 0.00 H new ATOM 0 HB3 GLU A 27 29.175 12.153 22.450 1.00 0.00 H new ATOM 0 HG2 GLU A 27 32.055 11.820 21.618 1.00 0.00 H new ATOM 0 HG3 GLU A 27 31.482 10.979 23.044 1.00 0.00 H new ATOM 373 N CYS A 28 27.815 14.496 21.414 1.00 0.00 N ATOM 374 CA CYS A 28 26.684 15.359 21.755 1.00 0.00 C ATOM 375 C CYS A 28 26.484 15.459 23.277 1.00 0.00 C ATOM 376 O CYS A 28 26.257 14.453 23.954 1.00 0.00 O ATOM 377 CB CYS A 28 25.416 14.848 21.048 1.00 0.00 C ATOM 378 SG CYS A 28 23.848 15.589 21.607 1.00 0.00 S ATOM 0 H CYS A 28 27.543 13.665 20.888 1.00 0.00 H new ATOM 0 HA CYS A 28 26.897 16.369 21.405 1.00 0.00 H new ATOM 0 HB2 CYS A 28 25.521 15.028 19.978 1.00 0.00 H new ATOM 0 HB3 CYS A 28 25.356 13.768 21.185 1.00 0.00 H new ATOM 383 N LYS A 29 26.523 16.694 23.785 1.00 0.00 N ATOM 384 CA LYS A 29 26.201 17.137 25.151 1.00 0.00 C ATOM 385 C LYS A 29 25.634 18.568 25.123 1.00 0.00 C ATOM 386 O LYS A 29 25.718 19.255 24.101 1.00 0.00 O ATOM 387 CB LYS A 29 27.465 17.082 26.035 1.00 0.00 C ATOM 388 CG LYS A 29 27.913 15.678 26.486 1.00 0.00 C ATOM 389 CD LYS A 29 26.822 14.899 27.240 1.00 0.00 C ATOM 390 CE LYS A 29 27.332 13.616 27.904 1.00 0.00 C ATOM 391 NZ LYS A 29 27.896 12.656 26.928 1.00 0.00 N ATOM 0 H LYS A 29 26.805 17.482 23.202 1.00 0.00 H new ATOM 0 HA LYS A 29 25.448 16.470 25.571 1.00 0.00 H new ATOM 0 HB2 LYS A 29 28.287 17.546 25.489 1.00 0.00 H new ATOM 0 HB3 LYS A 29 27.290 17.689 26.923 1.00 0.00 H new ATOM 0 HG2 LYS A 29 28.219 15.104 25.611 1.00 0.00 H new ATOM 0 HG3 LYS A 29 28.789 15.773 27.127 1.00 0.00 H new ATOM 0 HD2 LYS A 29 26.388 15.545 28.003 1.00 0.00 H new ATOM 0 HD3 LYS A 29 26.022 14.645 26.544 1.00 0.00 H new ATOM 0 HE2 LYS A 29 28.095 13.870 28.640 1.00 0.00 H new ATOM 0 HE3 LYS A 29 26.513 13.141 28.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 28.226 11.806 27.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 27.163 12.390 26.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 28.695 13.097 26.430 1.00 0.00 H new ATOM 405 N CYS A 30 25.043 19.021 26.233 1.00 0.00 N ATOM 406 CA CYS A 30 24.418 20.327 26.360 1.00 0.00 C ATOM 407 C CYS A 30 24.887 21.059 27.646 1.00 0.00 C ATOM 408 O CYS A 30 25.366 20.425 28.589 1.00 0.00 O ATOM 409 CB CYS A 30 22.899 20.101 26.326 1.00 0.00 C ATOM 410 SG CYS A 30 22.173 19.001 25.077 1.00 0.00 S ATOM 0 H CYS A 30 24.988 18.468 27.088 1.00 0.00 H new ATOM 0 HA CYS A 30 24.711 20.982 25.540 1.00 0.00 H new ATOM 0 HB2 CYS A 30 22.606 19.719 27.304 1.00 0.00 H new ATOM 0 HB3 CYS A 30 22.428 21.077 26.211 1.00 0.00 H new ATOM 415 N VAL A 31 24.719 22.386 27.702 1.00 0.00 N ATOM 416 CA VAL A 31 25.263 23.325 28.718 1.00 0.00 C ATOM 417 C VAL A 31 24.290 24.490 29.016 1.00 0.00 C ATOM 418 O VAL A 31 23.490 24.848 28.153 1.00 0.00 O ATOM 419 CB VAL A 31 26.576 23.948 28.213 1.00 0.00 C ATOM 420 CG1 VAL A 31 27.669 22.898 27.990 1.00 0.00 C ATOM 421 CG2 VAL A 31 26.301 24.749 26.935 1.00 0.00 C ATOM 0 H VAL A 31 24.165 22.874 26.998 1.00 0.00 H new ATOM 0 HA VAL A 31 25.420 22.742 29.625 1.00 0.00 H new ATOM 0 HB VAL A 31 26.954 24.620 28.983 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.576 23.387 27.634 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.878 22.385 28.929 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.332 22.174 27.248 1.00 0.00 H new ATOM 0 HG21 VAL A 31 27.230 25.191 26.576 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.895 24.086 26.171 1.00 0.00 H new ATOM 0 HG23 VAL A 31 25.582 25.540 27.149 1.00 0.00 H new