USER MOD reduce.3.24.130724 H: found=0, std=0, add=187, rem=0, adj=4 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= 0.262 K(o=0.26,f=-3.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 78:sc= 1.24 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0072 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 0.942 (180deg=0.422) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 30.370 16.165 16.901 1.00 0.00 N ATOM 62 CA ASN A 6 29.074 15.482 16.826 1.00 0.00 C ATOM 63 C ASN A 6 27.968 16.508 17.145 1.00 0.00 C ATOM 64 O ASN A 6 28.008 17.110 18.215 1.00 0.00 O ATOM 65 CB ASN A 6 29.125 14.306 17.824 1.00 0.00 C ATOM 66 CG ASN A 6 27.835 13.517 18.012 1.00 0.00 C ATOM 67 OD1 ASN A 6 26.757 13.881 17.557 1.00 0.00 O ATOM 68 ND2 ASN A 6 27.926 12.401 18.696 1.00 0.00 N ATOM 0 HA ASN A 6 28.856 15.079 15.837 1.00 0.00 H new ATOM 0 HB2 ASN A 6 29.903 13.615 17.498 1.00 0.00 H new ATOM 0 HB3 ASN A 6 29.431 14.696 18.795 1.00 0.00 H new ATOM 0 HD21 ASN A 6 27.096 11.829 18.852 1.00 0.00 H new ATOM 0 HD22 ASN A 6 28.827 12.105 19.071 1.00 0.00 H new ATOM 75 N LEU A 7 27.018 16.745 16.229 1.00 0.00 N ATOM 76 CA LEU A 7 26.025 17.822 16.399 1.00 0.00 C ATOM 77 C LEU A 7 24.646 17.564 15.754 1.00 0.00 C ATOM 78 O LEU A 7 23.727 18.348 15.988 1.00 0.00 O ATOM 79 CB LEU A 7 26.650 19.134 15.857 1.00 0.00 C ATOM 80 CG LEU A 7 26.087 20.447 16.446 1.00 0.00 C ATOM 81 CD1 LEU A 7 26.430 20.624 17.928 1.00 0.00 C ATOM 82 CD2 LEU A 7 26.672 21.646 15.697 1.00 0.00 C ATOM 0 H LEU A 7 26.914 16.210 15.367 1.00 0.00 H new ATOM 0 HA LEU A 7 25.804 17.884 17.465 1.00 0.00 H new ATOM 0 HB2 LEU A 7 27.723 19.106 16.044 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.516 19.157 14.776 1.00 0.00 H new ATOM 0 HG LEU A 7 25.004 20.392 16.338 1.00 0.00 H new ATOM 0 HD11 LEU A 7 26.010 21.563 18.289 1.00 0.00 H new ATOM 0 HD12 LEU A 7 26.012 19.795 18.500 1.00 0.00 H new ATOM 0 HD13 LEU A 7 27.513 20.640 18.051 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.271 22.568 16.117 1.00 0.00 H new ATOM 0 HD22 LEU A 7 27.757 21.643 15.797 1.00 0.00 H new ATOM 0 HD23 LEU A 7 26.405 21.582 14.642 1.00 0.00 H new ATOM 94 N ALA A 8 24.454 16.500 14.966 1.00 0.00 N ATOM 95 CA ALA A 8 23.345 16.397 14.003 1.00 0.00 C ATOM 96 C ALA A 8 21.923 16.438 14.609 1.00 0.00 C ATOM 97 O ALA A 8 20.990 16.877 13.933 1.00 0.00 O ATOM 98 CB ALA A 8 23.553 15.122 13.180 1.00 0.00 C ATOM 0 H ALA A 8 25.064 15.682 14.976 1.00 0.00 H new ATOM 0 HA ALA A 8 23.382 17.293 13.384 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.744 15.020 12.457 1.00 0.00 H new ATOM 0 HB2 ALA A 8 24.506 15.180 12.653 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.558 14.257 13.844 1.00 0.00 H new ATOM 104 N ALA A 9 21.754 16.050 15.878 1.00 0.00 N ATOM 105 CA ALA A 9 20.497 16.194 16.626 1.00 0.00 C ATOM 106 C ALA A 9 20.695 16.803 18.035 1.00 0.00 C ATOM 107 O ALA A 9 19.788 16.767 18.871 1.00 0.00 O ATOM 108 CB ALA A 9 19.799 14.830 16.664 1.00 0.00 C ATOM 0 H ALA A 9 22.499 15.619 16.425 1.00 0.00 H new ATOM 0 HA ALA A 9 19.859 16.912 16.111 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.863 14.916 17.216 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.592 14.499 15.646 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.445 14.104 17.157 1.00 0.00 H new ATOM 114 N CYS A 10 21.889 17.323 18.336 1.00 0.00 N ATOM 115 CA CYS A 10 22.260 17.761 19.678 1.00 0.00 C ATOM 116 C CYS A 10 21.532 19.048 20.086 1.00 0.00 C ATOM 117 O CYS A 10 20.847 19.062 21.103 1.00 0.00 O ATOM 118 CB CYS A 10 23.782 17.899 19.756 1.00 0.00 C ATOM 119 SG CYS A 10 24.419 18.226 21.427 1.00 0.00 S ATOM 0 H CYS A 10 22.629 17.451 17.646 1.00 0.00 H new ATOM 0 HA CYS A 10 21.942 17.008 20.399 1.00 0.00 H new ATOM 0 HB2 CYS A 10 24.238 16.984 19.379 1.00 0.00 H new ATOM 0 HB3 CYS A 10 24.096 18.707 19.095 1.00 0.00 H new ATOM 124 N GLU A 11 21.599 20.103 19.272 1.00 0.00 N ATOM 125 CA GLU A 11 20.955 21.395 19.555 1.00 0.00 C ATOM 126 C GLU A 11 19.428 21.259 19.594 1.00 0.00 C ATOM 127 O GLU A 11 18.788 21.805 20.490 1.00 0.00 O ATOM 128 CB GLU A 11 21.359 22.424 18.486 1.00 0.00 C ATOM 129 CG GLU A 11 22.860 22.756 18.474 1.00 0.00 C ATOM 130 CD GLU A 11 23.223 23.881 19.451 1.00 0.00 C ATOM 131 OE1 GLU A 11 22.741 23.866 20.609 1.00 0.00 O ATOM 132 OE2 GLU A 11 23.971 24.804 19.043 1.00 0.00 O ATOM 0 H GLU A 11 22.106 20.088 18.387 1.00 0.00 H new ATOM 0 HA GLU A 11 21.291 21.734 20.535 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.073 22.045 17.505 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.795 23.343 18.649 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.428 21.861 18.729 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.156 23.046 17.466 1.00 0.00 H new ATOM 139 N LEU A 12 18.855 20.460 18.685 1.00 0.00 N ATOM 140 CA LEU A 12 17.412 20.180 18.615 1.00 0.00 C ATOM 141 C LEU A 12 16.876 19.605 19.938 1.00 0.00 C ATOM 142 O LEU A 12 15.838 20.042 20.448 1.00 0.00 O ATOM 143 CB LEU A 12 17.140 19.181 17.470 1.00 0.00 C ATOM 144 CG LEU A 12 17.648 19.593 16.076 1.00 0.00 C ATOM 145 CD1 LEU A 12 17.278 18.511 15.059 1.00 0.00 C ATOM 146 CD2 LEU A 12 17.041 20.918 15.610 1.00 0.00 C ATOM 0 H LEU A 12 19.391 19.980 17.962 1.00 0.00 H new ATOM 0 HA LEU A 12 16.895 21.121 18.427 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.595 18.226 17.733 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.065 19.015 17.408 1.00 0.00 H new ATOM 0 HG LEU A 12 18.729 19.714 16.147 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.637 18.802 14.072 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.738 17.566 15.349 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.195 18.393 15.031 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.428 21.168 14.622 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.956 20.824 15.561 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.306 21.707 16.314 1.00 0.00 H new ATOM 158 N SER A 13 17.625 18.661 20.517 1.00 0.00 N ATOM 159 CA SER A 13 17.317 18.025 21.797 1.00 0.00 C ATOM 160 C SER A 13 17.619 18.964 22.965 1.00 0.00 C ATOM 161 O SER A 13 16.737 19.227 23.779 1.00 0.00 O ATOM 162 CB SER A 13 18.115 16.724 21.901 1.00 0.00 C ATOM 163 OG SER A 13 17.854 16.044 23.111 1.00 0.00 O ATOM 0 H SER A 13 18.485 18.310 20.095 1.00 0.00 H new ATOM 0 HA SER A 13 16.252 17.797 21.847 1.00 0.00 H new ATOM 0 HB2 SER A 13 17.867 16.077 21.060 1.00 0.00 H new ATOM 0 HB3 SER A 13 19.180 16.944 21.830 1.00 0.00 H new ATOM 0 HG SER A 13 18.380 15.217 23.142 1.00 0.00 H new ATOM 169 N CYS A 14 18.815 19.559 23.013 1.00 0.00 N ATOM 170 CA CYS A 14 19.242 20.441 24.100 1.00 0.00 C ATOM 171 C CYS A 14 18.310 21.659 24.259 1.00 0.00 C ATOM 172 O CYS A 14 17.840 21.928 25.368 1.00 0.00 O ATOM 173 CB CYS A 14 20.710 20.831 23.868 1.00 0.00 C ATOM 174 SG CYS A 14 21.918 19.478 24.023 1.00 0.00 S ATOM 0 H CYS A 14 19.522 19.439 22.288 1.00 0.00 H new ATOM 0 HA CYS A 14 19.171 19.911 25.050 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.800 21.261 22.871 1.00 0.00 H new ATOM 0 HB3 CYS A 14 20.976 21.614 24.578 1.00 0.00 H new ATOM 179 N ARG A 15 17.902 22.317 23.165 1.00 0.00 N ATOM 180 CA ARG A 15 16.900 23.403 23.192 1.00 0.00 C ATOM 181 C ARG A 15 15.545 22.939 23.728 1.00 0.00 C ATOM 182 O ARG A 15 14.865 23.707 24.413 1.00 0.00 O ATOM 183 CB ARG A 15 16.741 23.996 21.781 1.00 0.00 C ATOM 184 CG ARG A 15 17.963 24.808 21.318 1.00 0.00 C ATOM 185 CD ARG A 15 17.857 26.307 21.641 1.00 0.00 C ATOM 186 NE ARG A 15 17.789 26.592 23.085 1.00 0.00 N ATOM 187 CZ ARG A 15 18.785 26.853 23.907 1.00 0.00 C ATOM 188 NH1 ARG A 15 20.040 26.813 23.577 1.00 0.00 N ATOM 189 NH2 ARG A 15 18.538 27.186 25.133 1.00 0.00 N ATOM 0 H ARG A 15 18.256 22.114 22.230 1.00 0.00 H new ATOM 0 HA ARG A 15 17.265 24.168 23.877 1.00 0.00 H new ATOM 0 HB2 ARG A 15 16.562 23.187 21.073 1.00 0.00 H new ATOM 0 HB3 ARG A 15 15.860 24.637 21.762 1.00 0.00 H new ATOM 0 HG2 ARG A 15 18.859 24.404 21.791 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.087 24.683 20.242 1.00 0.00 H new ATOM 0 HD2 ARG A 15 18.718 26.824 21.216 1.00 0.00 H new ATOM 0 HD3 ARG A 15 16.970 26.714 21.156 1.00 0.00 H new ATOM 0 HE ARG A 15 16.857 26.587 23.499 1.00 0.00 H new ATOM 0 HH11 ARG A 15 20.309 26.566 22.625 1.00 0.00 H new ATOM 0 HH12 ARG A 15 20.757 27.028 24.270 1.00 0.00 H new ATOM 0 HH21 ARG A 15 17.574 27.246 25.461 1.00 0.00 H new ATOM 0 HH22 ARG A 15 19.307 27.389 25.771 1.00 0.00 H new ATOM 203 N SER A 16 15.181 21.677 23.491 1.00 0.00 N ATOM 204 CA SER A 16 13.967 21.044 24.025 1.00 0.00 C ATOM 205 C SER A 16 14.069 20.712 25.525 1.00 0.00 C ATOM 206 O SER A 16 13.050 20.740 26.215 1.00 0.00 O ATOM 207 CB SER A 16 13.602 19.797 23.210 1.00 0.00 C ATOM 208 OG SER A 16 13.481 20.128 21.838 1.00 0.00 O ATOM 0 H SER A 16 15.734 21.049 22.908 1.00 0.00 H new ATOM 0 HA SER A 16 13.166 21.776 23.928 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.367 19.031 23.341 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.665 19.377 23.574 1.00 0.00 H new ATOM 0 HG SER A 16 14.373 20.218 21.443 1.00 0.00 H new ATOM 214 N LEU A 17 15.276 20.501 26.074 1.00 0.00 N ATOM 215 CA LEU A 17 15.496 20.410 27.534 1.00 0.00 C ATOM 216 C LEU A 17 15.662 21.792 28.202 1.00 0.00 C ATOM 217 O LEU A 17 15.464 21.898 29.415 1.00 0.00 O ATOM 218 CB LEU A 17 16.705 19.522 27.909 1.00 0.00 C ATOM 219 CG LEU A 17 17.061 18.330 27.012 1.00 0.00 C ATOM 220 CD1 LEU A 17 18.234 17.553 27.616 1.00 0.00 C ATOM 221 CD2 LEU A 17 15.903 17.350 26.809 1.00 0.00 C ATOM 0 H LEU A 17 16.127 20.388 25.524 1.00 0.00 H new ATOM 0 HA LEU A 17 14.589 19.942 27.916 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.582 20.167 27.962 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.531 19.137 28.914 1.00 0.00 H new ATOM 0 HG LEU A 17 17.316 18.755 26.041 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.480 16.708 26.973 1.00 0.00 H new ATOM 0 HD12 LEU A 17 19.100 18.209 27.701 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.958 17.188 28.605 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.227 16.533 26.165 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.592 16.950 27.774 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.065 17.869 26.344 1.00 0.00 H new ATOM 233 N GLY A 18 16.013 22.828 27.424 1.00 0.00 N ATOM 234 CA GLY A 18 16.102 24.236 27.841 1.00 0.00 C ATOM 235 C GLY A 18 17.495 24.884 27.763 1.00 0.00 C ATOM 236 O GLY A 18 17.672 25.967 28.325 1.00 0.00 O ATOM 0 H GLY A 18 16.254 22.701 26.441 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.419 24.819 27.224 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.747 24.311 28.869 1.00 0.00 H new ATOM 240 N LEU A 19 18.489 24.247 27.125 1.00 0.00 N ATOM 241 CA LEU A 19 19.908 24.656 27.193 1.00 0.00 C ATOM 242 C LEU A 19 20.717 24.392 25.903 1.00 0.00 C ATOM 243 O LEU A 19 20.177 23.911 24.910 1.00 0.00 O ATOM 244 CB LEU A 19 20.541 24.047 28.463 1.00 0.00 C ATOM 245 CG LEU A 19 20.792 22.520 28.550 1.00 0.00 C ATOM 246 CD1 LEU A 19 20.489 22.006 29.961 1.00 0.00 C ATOM 247 CD2 LEU A 19 20.005 21.630 27.598 1.00 0.00 C ATOM 0 H LEU A 19 18.333 23.425 26.541 1.00 0.00 H new ATOM 0 HA LEU A 19 19.942 25.743 27.268 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.500 24.542 28.616 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.904 24.319 29.305 1.00 0.00 H new ATOM 0 HG LEU A 19 21.841 22.442 28.263 1.00 0.00 H new ATOM 0 HD11 LEU A 19 20.671 20.932 30.004 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.134 22.512 30.679 1.00 0.00 H new ATOM 0 HD13 LEU A 19 19.446 22.208 30.206 1.00 0.00 H new ATOM 0 HD21 LEU A 19 20.277 20.588 27.766 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.938 21.760 27.777 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.236 21.904 26.569 1.00 0.00 H new ATOM 259 N LEU A 20 22.011 24.735 25.901 1.00 0.00 N ATOM 260 CA LEU A 20 22.893 24.699 24.723 1.00 0.00 C ATOM 261 C LEU A 20 23.497 23.301 24.493 1.00 0.00 C ATOM 262 O LEU A 20 24.000 22.675 25.432 1.00 0.00 O ATOM 263 CB LEU A 20 23.967 25.796 24.910 1.00 0.00 C ATOM 264 CG LEU A 20 25.170 25.750 23.946 1.00 0.00 C ATOM 265 CD1 LEU A 20 24.778 26.149 22.525 1.00 0.00 C ATOM 266 CD2 LEU A 20 26.270 26.700 24.423 1.00 0.00 C ATOM 0 H LEU A 20 22.490 25.055 26.743 1.00 0.00 H new ATOM 0 HA LEU A 20 22.321 24.903 23.818 1.00 0.00 H new ATOM 0 HB2 LEU A 20 23.484 26.768 24.807 1.00 0.00 H new ATOM 0 HB3 LEU A 20 24.345 25.734 25.931 1.00 0.00 H new ATOM 0 HG LEU A 20 25.528 24.721 23.939 1.00 0.00 H new ATOM 0 HD11 LEU A 20 25.655 26.103 21.879 1.00 0.00 H new ATOM 0 HD12 LEU A 20 24.016 25.464 22.152 1.00 0.00 H new ATOM 0 HD13 LEU A 20 24.383 27.165 22.528 1.00 0.00 H new ATOM 0 HD21 LEU A 20 27.113 26.657 23.733 1.00 0.00 H new ATOM 0 HD22 LEU A 20 25.882 27.718 24.458 1.00 0.00 H new ATOM 0 HD23 LEU A 20 26.601 26.403 25.418 1.00 0.00 H new ATOM 278 N GLY A 21 23.524 22.842 23.236 1.00 0.00 N ATOM 279 CA GLY A 21 24.261 21.649 22.819 1.00 0.00 C ATOM 280 C GLY A 21 25.737 21.936 22.552 1.00 0.00 C ATOM 281 O GLY A 21 26.096 22.466 21.498 1.00 0.00 O ATOM 0 H GLY A 21 23.026 23.297 22.471 1.00 0.00 H new ATOM 0 HA2 GLY A 21 24.177 20.885 23.592 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.805 21.241 21.917 1.00 0.00 H new ATOM 285 N LYS A 22 26.594 21.555 23.507 1.00 0.00 N ATOM 286 CA LYS A 22 28.071 21.616 23.379 1.00 0.00 C ATOM 287 C LYS A 22 28.666 20.271 22.941 1.00 0.00 C ATOM 288 O LYS A 22 28.493 19.258 23.614 1.00 0.00 O ATOM 289 CB LYS A 22 28.686 22.149 24.685 1.00 0.00 C ATOM 290 CG LYS A 22 30.212 22.014 24.878 1.00 0.00 C ATOM 291 CD LYS A 22 31.155 22.593 23.809 1.00 0.00 C ATOM 292 CE LYS A 22 31.058 24.111 23.645 1.00 0.00 C ATOM 293 NZ LYS A 22 32.059 24.598 22.665 1.00 0.00 N ATOM 0 H LYS A 22 26.285 21.189 24.407 1.00 0.00 H new ATOM 0 HA LYS A 22 28.326 22.316 22.583 1.00 0.00 H new ATOM 0 HB2 LYS A 22 28.432 23.206 24.766 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.198 21.639 25.516 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.466 22.483 25.829 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.438 20.952 24.976 1.00 0.00 H new ATOM 0 HD2 LYS A 22 32.182 22.331 24.065 1.00 0.00 H new ATOM 0 HD3 LYS A 22 30.935 22.120 22.852 1.00 0.00 H new ATOM 0 HE2 LYS A 22 30.056 24.383 23.314 1.00 0.00 H new ATOM 0 HE3 LYS A 22 31.218 24.597 24.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.977 25.630 22.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 33.015 24.357 22.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.888 24.149 21.742 1.00 0.00 H new ATOM 307 N CYS A 23 29.415 20.280 21.836 1.00 0.00 N ATOM 308 CA CYS A 23 30.124 19.108 21.310 1.00 0.00 C ATOM 309 C CYS A 23 31.573 19.000 21.832 1.00 0.00 C ATOM 310 O CYS A 23 32.315 19.990 21.857 1.00 0.00 O ATOM 311 CB CYS A 23 30.032 19.087 19.777 1.00 0.00 C ATOM 312 SG CYS A 23 30.818 20.479 18.917 1.00 0.00 S ATOM 0 H CYS A 23 29.549 21.118 21.270 1.00 0.00 H new ATOM 0 HA CYS A 23 29.629 18.213 21.687 1.00 0.00 H new ATOM 0 HB2 CYS A 23 30.483 18.162 19.418 1.00 0.00 H new ATOM 0 HB3 CYS A 23 28.979 19.059 19.496 1.00 0.00 H new ATOM 0 HG CYS A 23 30.669 20.336 17.634 1.00 0.00 H new ATOM 317 N ILE A 24 31.970 17.787 22.236 1.00 0.00 N ATOM 318 CA ILE A 24 33.276 17.415 22.804 1.00 0.00 C ATOM 319 C ILE A 24 33.715 16.057 22.225 1.00 0.00 C ATOM 320 O ILE A 24 33.105 15.033 22.538 1.00 0.00 O ATOM 321 CB ILE A 24 33.190 17.293 24.350 1.00 0.00 C ATOM 322 CG1 ILE A 24 32.527 18.473 25.095 1.00 0.00 C ATOM 323 CG2 ILE A 24 34.576 16.982 24.948 1.00 0.00 C ATOM 324 CD1 ILE A 24 33.344 19.764 25.193 1.00 0.00 C ATOM 0 H ILE A 24 31.346 16.983 22.171 1.00 0.00 H new ATOM 0 HA ILE A 24 33.997 18.191 22.548 1.00 0.00 H new ATOM 0 HB ILE A 24 32.506 16.460 24.513 1.00 0.00 H new ATOM 0 HG12 ILE A 24 31.584 18.703 24.599 1.00 0.00 H new ATOM 0 HG13 ILE A 24 32.284 18.145 26.106 1.00 0.00 H new ATOM 0 HG21 ILE A 24 34.495 16.900 26.032 1.00 0.00 H new ATOM 0 HG22 ILE A 24 34.946 16.041 24.540 1.00 0.00 H new ATOM 0 HG23 ILE A 24 35.269 17.784 24.696 1.00 0.00 H new ATOM 0 HD11 ILE A 24 32.772 20.516 25.737 1.00 0.00 H new ATOM 0 HD12 ILE A 24 34.277 19.565 25.721 1.00 0.00 H new ATOM 0 HD13 ILE A 24 33.565 20.131 24.191 1.00 0.00 H new ATOM 336 N GLY A 25 34.788 16.010 21.431 1.00 0.00 N ATOM 337 CA GLY A 25 35.503 14.764 21.097 1.00 0.00 C ATOM 338 C GLY A 25 34.624 13.652 20.506 1.00 0.00 C ATOM 339 O GLY A 25 34.715 12.497 20.921 1.00 0.00 O ATOM 0 H GLY A 25 35.192 16.839 20.996 1.00 0.00 H new ATOM 0 HA2 GLY A 25 36.296 14.997 20.386 1.00 0.00 H new ATOM 0 HA3 GLY A 25 35.984 14.386 21.999 1.00 0.00 H new ATOM 343 N GLU A 26 33.761 14.004 19.551 1.00 0.00 N ATOM 344 CA GLU A 26 32.753 13.153 18.905 1.00 0.00 C ATOM 345 C GLU A 26 31.565 12.681 19.785 1.00 0.00 C ATOM 346 O GLU A 26 30.793 11.808 19.373 1.00 0.00 O ATOM 347 CB GLU A 26 33.422 12.047 18.067 1.00 0.00 C ATOM 348 CG GLU A 26 34.447 12.580 17.055 1.00 0.00 C ATOM 349 CD GLU A 26 35.894 12.587 17.575 1.00 0.00 C ATOM 350 OE1 GLU A 26 36.534 11.502 17.565 1.00 0.00 O ATOM 351 OE2 GLU A 26 36.466 13.652 17.880 1.00 0.00 O ATOM 0 H GLU A 26 33.745 14.955 19.182 1.00 0.00 H new ATOM 0 HA GLU A 26 32.225 13.812 18.216 1.00 0.00 H new ATOM 0 HB2 GLU A 26 33.917 11.344 18.737 1.00 0.00 H new ATOM 0 HB3 GLU A 26 32.652 11.491 17.533 1.00 0.00 H new ATOM 0 HG2 GLU A 26 34.400 11.973 16.151 1.00 0.00 H new ATOM 0 HG3 GLU A 26 34.169 13.595 16.772 1.00 0.00 H new ATOM 358 N GLU A 27 31.352 13.308 20.946 1.00 0.00 N ATOM 359 CA GLU A 27 30.124 13.292 21.759 1.00 0.00 C ATOM 360 C GLU A 27 29.517 14.710 21.879 1.00 0.00 C ATOM 361 O GLU A 27 30.175 15.703 21.560 1.00 0.00 O ATOM 362 CB GLU A 27 30.433 12.719 23.154 1.00 0.00 C ATOM 363 CG GLU A 27 30.358 11.185 23.227 1.00 0.00 C ATOM 364 CD GLU A 27 29.804 10.737 24.584 1.00 0.00 C ATOM 365 OE1 GLU A 27 30.554 10.688 25.589 1.00 0.00 O ATOM 366 OE2 GLU A 27 28.571 10.524 24.683 1.00 0.00 O ATOM 0 H GLU A 27 32.080 13.880 21.375 1.00 0.00 H new ATOM 0 HA GLU A 27 29.389 12.657 21.265 1.00 0.00 H new ATOM 0 HB2 GLU A 27 31.431 13.039 23.455 1.00 0.00 H new ATOM 0 HB3 GLU A 27 29.732 13.142 23.873 1.00 0.00 H new ATOM 0 HG2 GLU A 27 29.722 10.808 22.426 1.00 0.00 H new ATOM 0 HG3 GLU A 27 31.350 10.759 23.074 1.00 0.00 H new ATOM 373 N CYS A 28 28.264 14.830 22.337 1.00 0.00 N ATOM 374 CA CYS A 28 27.581 16.111 22.561 1.00 0.00 C ATOM 375 C CYS A 28 26.546 16.045 23.698 1.00 0.00 C ATOM 376 O CYS A 28 25.427 15.558 23.507 1.00 0.00 O ATOM 377 CB CYS A 28 26.946 16.533 21.234 1.00 0.00 C ATOM 378 SG CYS A 28 26.429 18.271 21.138 1.00 0.00 S ATOM 0 H CYS A 28 27.685 14.023 22.567 1.00 0.00 H new ATOM 0 HA CYS A 28 28.306 16.856 22.888 1.00 0.00 H new ATOM 0 HB2 CYS A 28 27.658 16.338 20.432 1.00 0.00 H new ATOM 0 HB3 CYS A 28 26.077 15.902 21.049 1.00 0.00 H new ATOM 383 N LYS A 29 26.919 16.547 24.883 1.00 0.00 N ATOM 384 CA LYS A 29 26.070 16.630 26.088 1.00 0.00 C ATOM 385 C LYS A 29 25.836 18.091 26.476 1.00 0.00 C ATOM 386 O LYS A 29 26.748 18.918 26.393 1.00 0.00 O ATOM 387 CB LYS A 29 26.672 15.823 27.255 1.00 0.00 C ATOM 388 CG LYS A 29 27.003 14.375 26.869 1.00 0.00 C ATOM 389 CD LYS A 29 27.217 13.478 28.097 1.00 0.00 C ATOM 390 CE LYS A 29 27.782 12.123 27.657 1.00 0.00 C ATOM 391 NZ LYS A 29 29.258 12.149 27.587 1.00 0.00 N ATOM 0 H LYS A 29 27.855 16.922 25.039 1.00 0.00 H new ATOM 0 HA LYS A 29 25.103 16.183 25.856 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.579 16.318 27.603 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.970 15.820 28.089 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.194 13.969 26.262 1.00 0.00 H new ATOM 0 HG3 LYS A 29 27.901 14.362 26.252 1.00 0.00 H new ATOM 0 HD2 LYS A 29 27.902 13.959 28.795 1.00 0.00 H new ATOM 0 HD3 LYS A 29 26.273 13.335 28.624 1.00 0.00 H new ATOM 0 HE2 LYS A 29 27.463 11.350 28.357 1.00 0.00 H new ATOM 0 HE3 LYS A 29 27.375 11.857 26.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 29.591 11.371 26.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 29.571 13.056 27.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 29.653 12.039 28.543 1.00 0.00 H new ATOM 405 N CYS A 30 24.611 18.413 26.876 1.00 0.00 N ATOM 406 CA CYS A 30 24.159 19.795 27.046 1.00 0.00 C ATOM 407 C CYS A 30 24.678 20.439 28.349 1.00 0.00 C ATOM 408 O CYS A 30 24.894 19.748 29.347 1.00 0.00 O ATOM 409 CB CYS A 30 22.633 19.854 26.995 1.00 0.00 C ATOM 410 SG CYS A 30 21.705 18.730 25.902 1.00 0.00 S ATOM 0 H CYS A 30 23.896 17.719 27.094 1.00 0.00 H new ATOM 0 HA CYS A 30 24.578 20.373 26.223 1.00 0.00 H new ATOM 0 HB2 CYS A 30 22.270 19.690 28.010 1.00 0.00 H new ATOM 0 HB3 CYS A 30 22.359 20.872 26.719 1.00 0.00 H new ATOM 415 N VAL A 31 24.830 21.767 28.373 1.00 0.00 N ATOM 416 CA VAL A 31 25.449 22.526 29.492 1.00 0.00 C ATOM 417 C VAL A 31 24.403 23.206 30.397 1.00 0.00 C ATOM 418 O VAL A 31 23.302 23.443 29.920 1.00 0.00 O ATOM 419 CB VAL A 31 26.445 23.574 28.956 1.00 0.00 C ATOM 420 CG1 VAL A 31 27.530 22.915 28.099 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.748 24.656 28.122 1.00 0.00 C ATOM 0 H VAL A 31 24.524 22.366 27.606 1.00 0.00 H new ATOM 0 HA VAL A 31 25.984 21.799 30.103 1.00 0.00 H new ATOM 0 HB VAL A 31 26.898 24.042 29.830 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.218 23.677 27.734 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.078 22.189 28.700 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.067 22.409 27.252 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.487 25.373 27.765 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.250 24.194 27.270 1.00 0.00 H new ATOM 0 HG23 VAL A 31 25.011 25.171 28.738 1.00 0.00 H new