USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 313 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 1 LEU N :NH3+ 170:sc=-0.00631 (180deg=-0.143) USER MOD Single : A 8 ASN : amide:sc=-0.00397 K(o=-0.004,f=-0.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.4) USER MOD Single : A 21 THR OG1 : rot 22:sc= -0.457 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -62:sc= 0.607 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 90:sc= -0.824 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.414 0.165 -15.302 1.00 0.00 N ATOM 2 CA LEU A 1 2.082 -1.111 -14.608 1.00 0.00 C ATOM 3 C LEU A 1 2.576 -1.045 -13.160 1.00 0.00 C ATOM 4 O LEU A 1 3.056 -2.023 -12.616 1.00 0.00 O ATOM 5 CB LEU A 1 2.764 -2.281 -15.334 1.00 0.00 C ATOM 6 CG LEU A 1 1.830 -3.500 -15.386 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.454 -3.936 -13.965 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.559 -3.146 -16.165 1.00 0.00 C ATOM 0 H1 LEU A 1 2.235 0.062 -16.321 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.822 0.931 -14.922 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.417 0.393 -15.148 1.00 0.00 H new ATOM 0 HA LEU A 1 1.002 -1.262 -14.616 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.036 -1.980 -16.346 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.689 -2.546 -14.821 1.00 0.00 H new ATOM 0 HG LEU A 1 2.347 -4.319 -15.886 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.792 -4.801 -14.013 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.357 -4.200 -13.415 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.945 -3.117 -13.456 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.100 -4.013 -16.199 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.047 -2.321 -15.670 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.825 -2.852 -17.180 1.00 0.00 H new ATOM 22 N LEU A 2 2.461 0.099 -12.536 1.00 0.00 N ATOM 23 CA LEU A 2 2.921 0.239 -11.124 1.00 0.00 C ATOM 24 C LEU A 2 1.712 0.202 -10.187 1.00 0.00 C ATOM 25 O LEU A 2 1.047 1.200 -9.981 1.00 0.00 O ATOM 26 CB LEU A 2 3.656 1.571 -10.956 1.00 0.00 C ATOM 27 CG LEU A 2 4.769 1.414 -9.918 1.00 0.00 C ATOM 28 CD1 LEU A 2 5.955 0.681 -10.549 1.00 0.00 C ATOM 29 CD2 LEU A 2 5.220 2.796 -9.443 1.00 0.00 C ATOM 0 H LEU A 2 2.066 0.945 -12.947 1.00 0.00 H new ATOM 0 HA LEU A 2 3.595 -0.582 -10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.077 1.889 -11.910 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.958 2.346 -10.641 1.00 0.00 H new ATOM 0 HG LEU A 2 4.397 0.840 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.748 0.569 -9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.635 -0.304 -10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.328 1.255 -11.397 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.013 2.686 -8.703 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.593 3.369 -10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.376 3.320 -8.995 1.00 0.00 H new ATOM 41 N ALA A 3 1.425 -0.943 -9.621 1.00 0.00 N ATOM 42 CA ALA A 3 0.261 -1.055 -8.694 1.00 0.00 C ATOM 43 C ALA A 3 0.405 -2.324 -7.848 1.00 0.00 C ATOM 44 O ALA A 3 -0.541 -3.066 -7.657 1.00 0.00 O ATOM 45 CB ALA A 3 -1.033 -1.124 -9.512 1.00 0.00 C ATOM 0 H ALA A 3 1.949 -1.807 -9.762 1.00 0.00 H new ATOM 0 HA ALA A 3 0.229 -0.185 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.886 -1.206 -8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.132 -0.221 -10.114 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.003 -1.995 -10.167 1.00 0.00 H new ATOM 51 N CYS A 4 1.584 -2.571 -7.336 1.00 0.00 N ATOM 52 CA CYS A 4 1.807 -3.783 -6.497 1.00 0.00 C ATOM 53 C CYS A 4 3.252 -3.775 -5.992 1.00 0.00 C ATOM 54 O CYS A 4 4.164 -4.193 -6.681 1.00 0.00 O ATOM 55 CB CYS A 4 1.555 -5.045 -7.335 1.00 0.00 C ATOM 56 SG CYS A 4 1.737 -6.532 -6.311 1.00 0.00 S ATOM 0 H CYS A 4 2.405 -1.980 -7.465 1.00 0.00 H new ATOM 0 HA CYS A 4 1.121 -3.779 -5.650 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.553 -5.011 -7.763 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.256 -5.082 -8.168 1.00 0.00 H new ATOM 61 N LEU A 5 3.459 -3.300 -4.794 1.00 0.00 N ATOM 62 CA LEU A 5 4.839 -3.253 -4.226 1.00 0.00 C ATOM 63 C LEU A 5 5.364 -4.676 -4.053 1.00 0.00 C ATOM 64 O LEU A 5 6.533 -4.947 -4.253 1.00 0.00 O ATOM 65 CB LEU A 5 4.816 -2.555 -2.863 1.00 0.00 C ATOM 66 CG LEU A 5 4.174 -1.174 -3.001 1.00 0.00 C ATOM 67 CD1 LEU A 5 4.040 -0.533 -1.618 1.00 0.00 C ATOM 68 CD2 LEU A 5 5.051 -0.287 -3.888 1.00 0.00 C ATOM 0 H LEU A 5 2.728 -2.940 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 5 5.488 -2.700 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.258 -3.156 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.830 -2.458 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 5 3.187 -1.278 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.582 0.451 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.415 -1.162 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.027 -0.431 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.592 0.697 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.038 -0.184 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.148 -0.741 -4.874 1.00 0.00 H new ATOM 80 N PHE A 6 4.501 -5.583 -3.682 1.00 0.00 N ATOM 81 CA PHE A 6 4.933 -7.000 -3.490 1.00 0.00 C ATOM 82 C PHE A 6 3.834 -7.941 -3.989 1.00 0.00 C ATOM 83 O PHE A 6 3.935 -8.513 -5.059 1.00 0.00 O ATOM 84 CB PHE A 6 5.197 -7.255 -2.003 1.00 0.00 C ATOM 85 CG PHE A 6 6.452 -6.529 -1.581 1.00 0.00 C ATOM 86 CD1 PHE A 6 7.689 -6.895 -2.125 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.378 -5.489 -0.647 1.00 0.00 C ATOM 88 CE1 PHE A 6 8.852 -6.222 -1.734 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.542 -4.816 -0.255 1.00 0.00 C ATOM 90 CZ PHE A 6 8.779 -5.183 -0.798 1.00 0.00 C ATOM 0 H PHE A 6 3.513 -5.405 -3.503 1.00 0.00 H new ATOM 0 HA PHE A 6 5.847 -7.183 -4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.350 -6.913 -1.409 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.304 -8.324 -1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.746 -7.697 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.423 -5.206 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.806 -6.504 -2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.485 -4.014 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.677 -4.665 -0.495 1.00 0.00 H new ATOM 100 N GLY A 7 2.788 -8.102 -3.222 1.00 0.00 N ATOM 101 CA GLY A 7 1.675 -9.004 -3.641 1.00 0.00 C ATOM 102 C GLY A 7 1.945 -10.424 -3.141 1.00 0.00 C ATOM 103 O GLY A 7 1.570 -11.394 -3.773 1.00 0.00 O ATOM 0 H GLY A 7 2.656 -7.646 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.729 -8.641 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.582 -9.002 -4.727 1.00 0.00 H new ATOM 107 N ASN A 8 2.592 -10.552 -2.010 1.00 0.00 N ATOM 108 CA ASN A 8 2.888 -11.910 -1.463 1.00 0.00 C ATOM 109 C ASN A 8 1.776 -12.345 -0.496 1.00 0.00 C ATOM 110 O ASN A 8 1.946 -13.273 0.271 1.00 0.00 O ATOM 111 CB ASN A 8 4.224 -11.879 -0.718 1.00 0.00 C ATOM 112 CG ASN A 8 5.355 -12.236 -1.685 1.00 0.00 C ATOM 113 OD1 ASN A 8 5.284 -11.930 -2.859 1.00 0.00 O ATOM 114 ND2 ASN A 8 6.401 -12.876 -1.239 1.00 0.00 N ATOM 0 H ASN A 8 2.928 -9.774 -1.442 1.00 0.00 H new ATOM 0 HA ASN A 8 2.942 -12.621 -2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.393 -10.889 -0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.206 -12.584 0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.160 -13.120 -1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.460 -13.133 -0.254 1.00 0.00 H new ATOM 121 N GLY A 9 0.638 -11.688 -0.531 1.00 0.00 N ATOM 122 CA GLY A 9 -0.481 -12.068 0.378 1.00 0.00 C ATOM 123 C GLY A 9 -0.152 -11.711 1.836 1.00 0.00 C ATOM 124 O GLY A 9 -0.881 -12.078 2.737 1.00 0.00 O ATOM 0 H GLY A 9 0.441 -10.904 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.393 -11.556 0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.673 -13.138 0.296 1.00 0.00 H new ATOM 128 N ARG A 10 0.926 -10.998 2.080 1.00 0.00 N ATOM 129 CA ARG A 10 1.281 -10.626 3.482 1.00 0.00 C ATOM 130 C ARG A 10 1.548 -9.123 3.547 1.00 0.00 C ATOM 131 O ARG A 10 2.223 -8.568 2.699 1.00 0.00 O ATOM 132 CB ARG A 10 2.536 -11.384 3.914 1.00 0.00 C ATOM 133 CG ARG A 10 3.638 -11.154 2.883 1.00 0.00 C ATOM 134 CD ARG A 10 4.851 -12.023 3.221 1.00 0.00 C ATOM 135 NE ARG A 10 4.689 -13.371 2.593 1.00 0.00 N ATOM 136 CZ ARG A 10 5.648 -14.276 2.652 1.00 0.00 C ATOM 137 NH1 ARG A 10 6.786 -14.034 3.259 1.00 0.00 N ATOM 138 NH2 ARG A 10 5.460 -15.438 2.090 1.00 0.00 N ATOM 0 H ARG A 10 1.572 -10.660 1.366 1.00 0.00 H new ATOM 0 HA ARG A 10 0.458 -10.885 4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.863 -11.042 4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.320 -12.449 4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.272 -11.396 1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.924 -10.102 2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.764 -11.549 2.860 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.950 -12.123 4.302 1.00 0.00 H new ATOM 0 HE ARG A 10 3.820 -13.595 2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.946 -13.128 3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.510 -14.752 3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.581 -15.638 1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.192 -16.147 2.128 1.00 0.00 H new ATOM 152 N CYS A 11 1.014 -8.462 4.537 1.00 0.00 N ATOM 153 CA CYS A 11 1.223 -6.984 4.654 1.00 0.00 C ATOM 154 C CYS A 11 1.184 -6.536 6.110 1.00 0.00 C ATOM 155 O CYS A 11 0.742 -7.249 6.990 1.00 0.00 O ATOM 156 CB CYS A 11 0.115 -6.239 3.903 1.00 0.00 C ATOM 157 SG CYS A 11 -1.511 -6.877 4.402 1.00 0.00 S ATOM 0 H CYS A 11 0.442 -8.878 5.272 1.00 0.00 H new ATOM 0 HA CYS A 11 2.200 -6.757 4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.176 -5.171 4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.248 -6.360 2.828 1.00 0.00 H new ATOM 162 N SER A 12 1.614 -5.326 6.349 1.00 0.00 N ATOM 163 CA SER A 12 1.582 -4.760 7.728 1.00 0.00 C ATOM 164 C SER A 12 0.460 -3.717 7.799 1.00 0.00 C ATOM 165 O SER A 12 -0.134 -3.492 8.835 1.00 0.00 O ATOM 166 CB SER A 12 2.924 -4.099 8.046 1.00 0.00 C ATOM 167 OG SER A 12 3.963 -5.060 7.916 1.00 0.00 O ATOM 0 H SER A 12 1.991 -4.699 5.638 1.00 0.00 H new ATOM 0 HA SER A 12 1.401 -5.553 8.454 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.100 -3.263 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.912 -3.694 9.058 1.00 0.00 H new ATOM 0 HG SER A 12 4.825 -4.639 8.117 1.00 0.00 H new ATOM 173 N SER A 13 0.166 -3.096 6.687 1.00 0.00 N ATOM 174 CA SER A 13 -0.917 -2.077 6.634 1.00 0.00 C ATOM 175 C SER A 13 -1.598 -2.172 5.265 1.00 0.00 C ATOM 176 O SER A 13 -1.259 -3.019 4.460 1.00 0.00 O ATOM 177 CB SER A 13 -0.321 -0.681 6.816 1.00 0.00 C ATOM 178 OG SER A 13 0.776 -0.520 5.926 1.00 0.00 O ATOM 0 H SER A 13 0.641 -3.257 5.799 1.00 0.00 H new ATOM 0 HA SER A 13 -1.641 -2.256 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.078 0.079 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.008 -0.545 7.846 1.00 0.00 H new ATOM 0 HG SER A 13 1.160 0.375 6.038 1.00 0.00 H new ATOM 184 N ASN A 14 -2.553 -1.318 4.993 1.00 0.00 N ATOM 185 CA ASN A 14 -3.254 -1.369 3.675 1.00 0.00 C ATOM 186 C ASN A 14 -2.287 -0.979 2.551 1.00 0.00 C ATOM 187 O ASN A 14 -2.327 -1.532 1.467 1.00 0.00 O ATOM 188 CB ASN A 14 -4.437 -0.398 3.689 1.00 0.00 C ATOM 189 CG ASN A 14 -5.688 -1.126 4.186 1.00 0.00 C ATOM 190 OD1 ASN A 14 -5.631 -1.872 5.142 1.00 0.00 O ATOM 191 ND2 ASN A 14 -6.824 -0.940 3.571 1.00 0.00 N ATOM 0 H ASN A 14 -2.877 -0.588 5.627 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.613 -2.383 3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.217 0.451 4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.608 -0.001 2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.663 -1.421 3.894 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.872 -0.313 2.768 1.00 0.00 H new ATOM 198 N ARG A 15 -1.422 -0.028 2.800 1.00 0.00 N ATOM 199 CA ARG A 15 -0.454 0.409 1.747 1.00 0.00 C ATOM 200 C ARG A 15 0.560 -0.700 1.436 1.00 0.00 C ATOM 201 O ARG A 15 1.302 -0.606 0.477 1.00 0.00 O ATOM 202 CB ARG A 15 0.288 1.660 2.222 1.00 0.00 C ATOM 203 CG ARG A 15 0.740 2.475 1.007 1.00 0.00 C ATOM 204 CD ARG A 15 1.873 3.423 1.413 1.00 0.00 C ATOM 205 NE ARG A 15 1.327 4.805 1.588 1.00 0.00 N ATOM 206 CZ ARG A 15 2.098 5.805 1.967 1.00 0.00 C ATOM 207 NH1 ARG A 15 3.377 5.635 2.210 1.00 0.00 N ATOM 208 NH2 ARG A 15 1.575 6.994 2.106 1.00 0.00 N ATOM 0 H ARG A 15 -1.344 0.466 3.689 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.012 0.630 0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.362 2.263 2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.151 1.378 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.078 1.807 0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.099 3.045 0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.333 3.082 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.653 3.422 0.652 1.00 0.00 H new ATOM 0 HE ARG A 15 0.337 4.977 1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.797 4.711 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.950 6.427 2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.582 7.139 1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.159 7.777 2.399 1.00 0.00 H new ATOM 222 N ASP A 16 0.600 -1.748 2.225 1.00 0.00 N ATOM 223 CA ASP A 16 1.567 -2.851 1.956 1.00 0.00 C ATOM 224 C ASP A 16 0.943 -3.889 1.009 1.00 0.00 C ATOM 225 O ASP A 16 1.446 -4.991 0.884 1.00 0.00 O ATOM 226 CB ASP A 16 1.934 -3.529 3.275 1.00 0.00 C ATOM 227 CG ASP A 16 3.157 -2.839 3.881 1.00 0.00 C ATOM 228 OD1 ASP A 16 3.223 -1.622 3.812 1.00 0.00 O ATOM 229 OD2 ASP A 16 4.008 -3.539 4.406 1.00 0.00 O ATOM 0 H ASP A 16 0.004 -1.884 3.042 1.00 0.00 H new ATOM 0 HA ASP A 16 2.459 -2.435 1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.094 -3.478 3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.145 -4.585 3.107 1.00 0.00 H new ATOM 234 N CYS A 17 -0.145 -3.559 0.345 1.00 0.00 N ATOM 235 CA CYS A 17 -0.782 -4.545 -0.582 1.00 0.00 C ATOM 236 C CYS A 17 -0.698 -4.042 -2.027 1.00 0.00 C ATOM 237 O CYS A 17 -0.026 -3.068 -2.314 1.00 0.00 O ATOM 238 CB CYS A 17 -2.244 -4.741 -0.187 1.00 0.00 C ATOM 239 SG CYS A 17 -2.317 -5.544 1.429 1.00 0.00 S ATOM 0 H CYS A 17 -0.614 -2.655 0.407 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.254 -5.496 -0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.756 -3.780 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.757 -5.349 -0.932 1.00 0.00 H new ATOM 244 N CYS A 18 -1.365 -4.708 -2.943 1.00 0.00 N ATOM 245 CA CYS A 18 -1.314 -4.278 -4.375 1.00 0.00 C ATOM 246 C CYS A 18 -2.689 -3.770 -4.820 1.00 0.00 C ATOM 247 O CYS A 18 -3.630 -3.735 -4.050 1.00 0.00 O ATOM 248 CB CYS A 18 -0.901 -5.467 -5.249 1.00 0.00 C ATOM 249 SG CYS A 18 0.659 -6.159 -4.641 1.00 0.00 S ATOM 0 H CYS A 18 -1.941 -5.529 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.586 -3.474 -4.481 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.679 -6.230 -5.233 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.789 -5.148 -6.285 1.00 0.00 H new ATOM 254 N GLU A 19 -2.805 -3.370 -6.063 1.00 0.00 N ATOM 255 CA GLU A 19 -4.107 -2.850 -6.579 1.00 0.00 C ATOM 256 C GLU A 19 -5.184 -3.936 -6.486 1.00 0.00 C ATOM 257 O GLU A 19 -6.261 -3.706 -5.967 1.00 0.00 O ATOM 258 CB GLU A 19 -3.941 -2.425 -8.040 1.00 0.00 C ATOM 259 CG GLU A 19 -4.844 -1.226 -8.331 1.00 0.00 C ATOM 260 CD GLU A 19 -5.387 -1.325 -9.758 1.00 0.00 C ATOM 261 OE1 GLU A 19 -4.601 -1.193 -10.681 1.00 0.00 O ATOM 262 OE2 GLU A 19 -6.581 -1.533 -9.902 1.00 0.00 O ATOM 0 H GLU A 19 -2.047 -3.382 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.411 -1.994 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.901 -2.166 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.195 -3.253 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.669 -1.198 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.285 -0.299 -8.208 1.00 0.00 H new ATOM 269 N LEU A 20 -4.905 -5.116 -6.984 1.00 0.00 N ATOM 270 CA LEU A 20 -5.912 -6.225 -6.929 1.00 0.00 C ATOM 271 C LEU A 20 -6.379 -6.447 -5.482 1.00 0.00 C ATOM 272 O LEU A 20 -7.459 -6.951 -5.240 1.00 0.00 O ATOM 273 CB LEU A 20 -5.278 -7.513 -7.460 1.00 0.00 C ATOM 274 CG LEU A 20 -5.604 -7.671 -8.946 1.00 0.00 C ATOM 275 CD1 LEU A 20 -4.764 -6.687 -9.761 1.00 0.00 C ATOM 276 CD2 LEU A 20 -5.286 -9.101 -9.389 1.00 0.00 C ATOM 0 H LEU A 20 -4.020 -5.361 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.772 -5.955 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.198 -7.485 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.652 -8.371 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.662 -7.466 -9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.997 -6.800 -10.820 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.990 -5.668 -9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.706 -6.890 -9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.518 -9.214 -10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.228 -9.306 -9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.885 -9.803 -8.809 1.00 0.00 H new ATOM 288 N THR A 21 -5.572 -6.066 -4.526 1.00 0.00 N ATOM 289 CA THR A 21 -5.949 -6.238 -3.096 1.00 0.00 C ATOM 290 C THR A 21 -5.675 -4.924 -2.360 1.00 0.00 C ATOM 291 O THR A 21 -4.597 -4.731 -1.844 1.00 0.00 O ATOM 292 CB THR A 21 -5.100 -7.353 -2.479 1.00 0.00 C ATOM 293 OG1 THR A 21 -3.730 -6.968 -2.503 1.00 0.00 O ATOM 294 CG2 THR A 21 -5.285 -8.642 -3.280 1.00 0.00 C ATOM 0 H THR A 21 -4.659 -5.639 -4.679 1.00 0.00 H new ATOM 0 HA THR A 21 -7.004 -6.501 -3.014 1.00 0.00 H new ATOM 0 HB THR A 21 -5.413 -7.523 -1.449 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.665 -5.992 -2.569 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.680 -9.434 -2.839 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.335 -8.934 -3.262 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.972 -8.478 -4.311 1.00 0.00 H new ATOM 302 N PRO A 22 -6.647 -4.041 -2.331 1.00 0.00 N ATOM 303 CA PRO A 22 -6.518 -2.717 -1.657 1.00 0.00 C ATOM 304 C PRO A 22 -6.783 -2.821 -0.151 1.00 0.00 C ATOM 305 O PRO A 22 -6.902 -1.812 0.521 1.00 0.00 O ATOM 306 CB PRO A 22 -7.577 -1.864 -2.341 1.00 0.00 C ATOM 307 CG PRO A 22 -8.627 -2.811 -2.895 1.00 0.00 C ATOM 308 CD PRO A 22 -8.009 -4.209 -2.952 1.00 0.00 C ATOM 0 HA PRO A 22 -5.514 -2.301 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.024 -1.165 -1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.135 -1.269 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.514 -2.811 -2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.944 -2.492 -3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.610 -4.932 -2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.936 -4.570 -3.978 1.00 0.00 H new ATOM 316 N VAL A 23 -6.875 -4.017 0.395 1.00 0.00 N ATOM 317 CA VAL A 23 -7.130 -4.132 1.863 1.00 0.00 C ATOM 318 C VAL A 23 -6.069 -5.015 2.531 1.00 0.00 C ATOM 319 O VAL A 23 -5.589 -5.978 1.963 1.00 0.00 O ATOM 320 CB VAL A 23 -8.535 -4.702 2.096 1.00 0.00 C ATOM 321 CG1 VAL A 23 -8.650 -6.119 1.534 1.00 0.00 C ATOM 322 CG2 VAL A 23 -8.840 -4.718 3.598 1.00 0.00 C ATOM 0 H VAL A 23 -6.786 -4.901 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.069 -3.141 2.313 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.255 -4.067 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.655 -6.501 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.453 -6.102 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.924 -6.766 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.838 -5.123 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.107 -5.340 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.792 -3.702 3.990 1.00 0.00 H new ATOM 332 N CYS A 24 -5.713 -4.684 3.745 1.00 0.00 N ATOM 333 CA CYS A 24 -4.696 -5.479 4.490 1.00 0.00 C ATOM 334 C CYS A 24 -5.333 -5.954 5.799 1.00 0.00 C ATOM 335 O CYS A 24 -5.386 -5.228 6.773 1.00 0.00 O ATOM 336 CB CYS A 24 -3.477 -4.592 4.783 1.00 0.00 C ATOM 337 SG CYS A 24 -2.220 -5.515 5.714 1.00 0.00 S ATOM 0 H CYS A 24 -6.090 -3.886 4.257 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.369 -6.338 3.904 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.051 -4.230 3.847 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.787 -3.715 5.352 1.00 0.00 H new ATOM 342 N LYS A 25 -5.826 -7.164 5.816 1.00 0.00 N ATOM 343 CA LYS A 25 -6.478 -7.693 7.052 1.00 0.00 C ATOM 344 C LYS A 25 -5.833 -9.019 7.457 1.00 0.00 C ATOM 345 O LYS A 25 -5.423 -9.799 6.620 1.00 0.00 O ATOM 346 CB LYS A 25 -7.969 -7.914 6.783 1.00 0.00 C ATOM 347 CG LYS A 25 -8.754 -6.669 7.203 1.00 0.00 C ATOM 348 CD LYS A 25 -10.240 -7.013 7.306 1.00 0.00 C ATOM 349 CE LYS A 25 -10.825 -7.182 5.902 1.00 0.00 C ATOM 350 NZ LYS A 25 -12.215 -7.709 6.003 1.00 0.00 N ATOM 0 H LYS A 25 -5.806 -7.810 5.027 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.351 -6.973 7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.132 -8.120 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.324 -8.784 7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.388 -6.302 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.604 -5.870 6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.373 -7.931 7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.770 -6.224 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.824 -6.226 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.207 -7.865 5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.613 -7.824 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.203 -8.630 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.801 -7.042 6.544 1.00 0.00 H new ATOM 364 N ARG A 26 -5.745 -9.274 8.738 1.00 0.00 N ATOM 365 CA ARG A 26 -5.130 -10.546 9.228 1.00 0.00 C ATOM 366 C ARG A 26 -3.683 -10.647 8.738 1.00 0.00 C ATOM 367 O ARG A 26 -3.192 -11.721 8.446 1.00 0.00 O ATOM 368 CB ARG A 26 -5.934 -11.743 8.713 1.00 0.00 C ATOM 369 CG ARG A 26 -7.249 -11.845 9.490 1.00 0.00 C ATOM 370 CD ARG A 26 -8.353 -12.374 8.569 1.00 0.00 C ATOM 371 NE ARG A 26 -9.623 -11.630 8.836 1.00 0.00 N ATOM 372 CZ ARG A 26 -10.786 -12.080 8.407 1.00 0.00 C ATOM 373 NH1 ARG A 26 -10.883 -13.199 7.728 1.00 0.00 N ATOM 374 NH2 ARG A 26 -11.868 -11.396 8.664 1.00 0.00 N ATOM 0 H ARG A 26 -6.076 -8.649 9.473 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.140 -10.549 10.318 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.136 -11.628 7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.357 -12.660 8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.127 -12.509 10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.527 -10.867 9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.060 -12.253 7.526 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.502 -13.441 8.737 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.589 -10.756 9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.046 -13.744 7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.795 -13.524 7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.807 -10.525 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.774 -11.733 8.338 1.00 0.00 H new ATOM 388 N GLY A 27 -3.000 -9.534 8.654 1.00 0.00 N ATOM 389 CA GLY A 27 -1.579 -9.547 8.192 1.00 0.00 C ATOM 390 C GLY A 27 -1.494 -10.113 6.772 1.00 0.00 C ATOM 391 O GLY A 27 -0.486 -10.672 6.380 1.00 0.00 O ATOM 0 H GLY A 27 -3.368 -8.612 8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.172 -8.536 8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.974 -10.150 8.869 1.00 0.00 H new ATOM 395 N SER A 28 -2.541 -9.970 5.999 1.00 0.00 N ATOM 396 CA SER A 28 -2.524 -10.495 4.604 1.00 0.00 C ATOM 397 C SER A 28 -3.234 -9.506 3.680 1.00 0.00 C ATOM 398 O SER A 28 -3.873 -8.578 4.133 1.00 0.00 O ATOM 399 CB SER A 28 -3.241 -11.846 4.556 1.00 0.00 C ATOM 400 OG SER A 28 -2.350 -12.866 4.987 1.00 0.00 O ATOM 0 H SER A 28 -3.408 -9.511 6.277 1.00 0.00 H new ATOM 0 HA SER A 28 -1.492 -10.622 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.124 -11.825 5.195 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.585 -12.052 3.543 1.00 0.00 H new ATOM 0 HG SER A 28 -1.582 -12.907 4.380 1.00 0.00 H new ATOM 406 N CYS A 29 -3.120 -9.692 2.390 1.00 0.00 N ATOM 407 CA CYS A 29 -3.785 -8.753 1.435 1.00 0.00 C ATOM 408 C CYS A 29 -4.955 -9.444 0.742 1.00 0.00 C ATOM 409 O CYS A 29 -4.861 -10.593 0.353 1.00 0.00 O ATOM 410 CB CYS A 29 -2.788 -8.324 0.359 1.00 0.00 C ATOM 411 SG CYS A 29 -1.467 -7.345 1.099 1.00 0.00 S ATOM 0 H CYS A 29 -2.596 -10.452 1.956 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.141 -7.889 1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.370 -9.203 -0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.297 -7.742 -0.409 1.00 0.00 H new ATOM 416 N VAL A 30 -6.045 -8.741 0.552 1.00 0.00 N ATOM 417 CA VAL A 30 -7.202 -9.344 -0.153 1.00 0.00 C ATOM 418 C VAL A 30 -7.968 -8.237 -0.879 1.00 0.00 C ATOM 419 O VAL A 30 -7.614 -7.064 -0.812 1.00 0.00 O ATOM 420 CB VAL A 30 -8.115 -10.073 0.841 1.00 0.00 C ATOM 421 CG1 VAL A 30 -7.319 -11.166 1.556 1.00 0.00 C ATOM 422 CG2 VAL A 30 -8.661 -9.089 1.875 1.00 0.00 C ATOM 0 H VAL A 30 -6.177 -7.777 0.857 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.849 -10.077 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.948 -10.517 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.967 -11.685 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.938 -11.877 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.484 -10.716 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.308 -9.618 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.832 -8.635 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.233 -8.311 1.370 1.00 0.00 H new ATOM 432 N SER A 31 -9.005 -8.609 -1.574 1.00 0.00 N ATOM 433 CA SER A 31 -9.809 -7.609 -2.325 1.00 0.00 C ATOM 434 C SER A 31 -10.986 -7.144 -1.471 1.00 0.00 C ATOM 435 O SER A 31 -11.923 -7.884 -1.233 1.00 0.00 O ATOM 436 CB SER A 31 -10.332 -8.239 -3.616 1.00 0.00 C ATOM 437 OG SER A 31 -11.187 -7.316 -4.276 1.00 0.00 O ATOM 0 H SER A 31 -9.332 -9.572 -1.654 1.00 0.00 H new ATOM 0 HA SER A 31 -9.180 -6.752 -2.567 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.499 -8.510 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.874 -9.158 -3.392 1.00 0.00 H new ATOM 0 HG SER A 31 -11.523 -7.716 -5.105 1.00 0.00 H new ATOM 443 N SER A 32 -10.945 -5.920 -1.016 1.00 0.00 N ATOM 444 CA SER A 32 -12.062 -5.390 -0.178 1.00 0.00 C ATOM 445 C SER A 32 -13.316 -5.234 -1.039 1.00 0.00 C ATOM 446 O SER A 32 -14.344 -5.828 -0.767 1.00 0.00 O ATOM 447 CB SER A 32 -11.672 -4.029 0.400 1.00 0.00 C ATOM 448 OG SER A 32 -10.774 -3.380 -0.491 1.00 0.00 O ATOM 0 H SER A 32 -10.185 -5.262 -1.189 1.00 0.00 H new ATOM 0 HA SER A 32 -12.262 -6.086 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.561 -3.416 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.205 -4.156 1.377 1.00 0.00 H new ATOM 0 HG SER A 32 -11.282 -2.842 -1.133 1.00 0.00 H new ATOM 454 N GLY A 33 -13.239 -4.439 -2.076 1.00 0.00 N ATOM 455 CA GLY A 33 -14.423 -4.237 -2.962 1.00 0.00 C ATOM 456 C GLY A 33 -15.520 -3.488 -2.189 1.00 0.00 C ATOM 457 O GLY A 33 -16.537 -4.066 -1.864 1.00 0.00 O ATOM 0 H GLY A 33 -12.404 -3.920 -2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.135 -3.670 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.800 -5.199 -3.308 1.00 0.00 H new ATOM 461 N PRO A 34 -15.289 -2.218 -1.913 1.00 0.00 N ATOM 462 CA PRO A 34 -16.252 -1.347 -1.169 1.00 0.00 C ATOM 463 C PRO A 34 -17.271 -0.732 -2.135 1.00 0.00 C ATOM 464 O PRO A 34 -17.153 0.414 -2.525 1.00 0.00 O ATOM 465 CB PRO A 34 -15.360 -0.274 -0.563 1.00 0.00 C ATOM 466 CG PRO A 34 -14.107 -0.190 -1.421 1.00 0.00 C ATOM 467 CD PRO A 34 -14.049 -1.449 -2.291 1.00 0.00 C ATOM 0 HA PRO A 34 -16.833 -1.886 -0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.875 0.686 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.105 -0.523 0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.130 0.704 -2.044 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.219 -0.118 -0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.043 -1.200 -3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.146 -2.028 -2.094 1.00 0.00 H new ATOM 475 N GLY A 35 -18.267 -1.489 -2.518 1.00 0.00 N ATOM 476 CA GLY A 35 -19.298 -0.959 -3.459 1.00 0.00 C ATOM 477 C GLY A 35 -18.898 -1.300 -4.896 1.00 0.00 C ATOM 478 O GLY A 35 -18.298 -0.500 -5.588 1.00 0.00 O ATOM 0 H GLY A 35 -18.411 -2.453 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.272 -1.390 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -19.392 0.121 -3.342 1.00 0.00 H new ATOM 482 N LEU A 36 -19.228 -2.485 -5.347 1.00 0.00 N ATOM 483 CA LEU A 36 -18.870 -2.889 -6.739 1.00 0.00 C ATOM 484 C LEU A 36 -20.143 -3.224 -7.521 1.00 0.00 C ATOM 485 O LEU A 36 -20.125 -4.036 -8.426 1.00 0.00 O ATOM 486 CB LEU A 36 -17.960 -4.119 -6.692 1.00 0.00 C ATOM 487 CG LEU A 36 -16.937 -4.041 -7.827 1.00 0.00 C ATOM 488 CD1 LEU A 36 -15.695 -3.292 -7.342 1.00 0.00 C ATOM 489 CD2 LEU A 36 -16.543 -5.456 -8.257 1.00 0.00 C ATOM 0 H LEU A 36 -19.731 -3.190 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.350 -2.068 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.449 -4.170 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.554 -5.028 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.374 -3.512 -8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.965 -3.236 -8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.975 -2.284 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.258 -3.821 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.814 -5.401 -9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -16.106 -5.985 -7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -17.428 -5.991 -8.602 1.00 0.00 H new ATOM 501 N VAL A 37 -21.244 -2.606 -7.175 1.00 0.00 N ATOM 502 CA VAL A 37 -22.521 -2.884 -7.895 1.00 0.00 C ATOM 503 C VAL A 37 -22.937 -1.647 -8.693 1.00 0.00 C ATOM 504 O VAL A 37 -22.276 -0.626 -8.658 1.00 0.00 O ATOM 505 CB VAL A 37 -23.613 -3.230 -6.881 1.00 0.00 C ATOM 506 CG1 VAL A 37 -23.267 -4.548 -6.187 1.00 0.00 C ATOM 507 CG2 VAL A 37 -23.709 -2.116 -5.836 1.00 0.00 C ATOM 0 H VAL A 37 -21.312 -1.920 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 37 -22.379 -3.723 -8.576 1.00 0.00 H new ATOM 0 HB VAL A 37 -24.568 -3.330 -7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -24.045 -4.794 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -23.197 -5.343 -6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -22.312 -4.448 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -24.487 -2.361 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -22.753 -2.017 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -23.955 -1.175 -6.329 1.00 0.00 H new ATOM 517 N GLY A 38 -24.029 -1.731 -9.409 1.00 0.00 N ATOM 518 CA GLY A 38 -24.497 -0.563 -10.212 1.00 0.00 C ATOM 519 C GLY A 38 -24.950 -1.041 -11.592 1.00 0.00 C ATOM 520 O GLY A 38 -24.220 -1.717 -12.293 1.00 0.00 O ATOM 0 H GLY A 38 -24.618 -2.561 -9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -25.319 -0.063 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.694 0.167 -10.314 1.00 0.00 H new ATOM 524 N GLY A 39 -26.149 -0.694 -11.986 1.00 0.00 N ATOM 525 CA GLY A 39 -26.658 -1.124 -13.321 1.00 0.00 C ATOM 526 C GLY A 39 -28.136 -0.751 -13.449 1.00 0.00 C ATOM 527 O GLY A 39 -28.617 0.151 -12.789 1.00 0.00 O ATOM 0 H GLY A 39 -26.798 -0.130 -11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -26.082 -0.646 -14.113 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -26.532 -2.200 -13.440 1.00 0.00 H new ATOM 531 N ILE A 40 -28.858 -1.442 -14.294 1.00 0.00 N ATOM 532 CA ILE A 40 -30.308 -1.137 -14.474 1.00 0.00 C ATOM 533 C ILE A 40 -31.142 -2.312 -13.956 1.00 0.00 C ATOM 534 O ILE A 40 -32.132 -2.694 -14.553 1.00 0.00 O ATOM 535 CB ILE A 40 -30.601 -0.913 -15.959 1.00 0.00 C ATOM 536 CG1 ILE A 40 -29.656 0.160 -16.507 1.00 0.00 C ATOM 537 CG2 ILE A 40 -32.049 -0.450 -16.131 1.00 0.00 C ATOM 538 CD1 ILE A 40 -29.734 0.177 -18.035 1.00 0.00 C ATOM 0 H ILE A 40 -28.504 -2.207 -14.869 1.00 0.00 H new ATOM 0 HA ILE A 40 -30.565 -0.237 -13.916 1.00 0.00 H new ATOM 0 HB ILE A 40 -30.451 -1.845 -16.503 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -29.928 1.137 -16.108 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -28.634 -0.042 -16.187 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -32.257 -0.291 -17.189 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -32.723 -1.211 -15.739 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -32.200 0.483 -15.587 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -29.061 0.941 -18.425 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -29.441 -0.798 -18.425 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -30.755 0.400 -18.345 1.00 0.00 H new ATOM 550 N LEU A 41 -30.747 -2.886 -12.848 1.00 0.00 N ATOM 551 CA LEU A 41 -31.506 -4.039 -12.281 1.00 0.00 C ATOM 552 C LEU A 41 -32.486 -3.533 -11.220 1.00 0.00 C ATOM 553 O LEU A 41 -32.418 -2.396 -10.792 1.00 0.00 O ATOM 554 CB LEU A 41 -30.530 -5.028 -11.642 1.00 0.00 C ATOM 555 CG LEU A 41 -29.466 -5.429 -12.664 1.00 0.00 C ATOM 556 CD1 LEU A 41 -28.354 -6.215 -11.966 1.00 0.00 C ATOM 557 CD2 LEU A 41 -30.105 -6.303 -13.745 1.00 0.00 C ATOM 0 H LEU A 41 -29.928 -2.603 -12.310 1.00 0.00 H new ATOM 0 HA LEU A 41 -32.058 -4.537 -13.078 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -30.059 -4.577 -10.769 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -31.066 -5.911 -11.294 1.00 0.00 H new ATOM 0 HG LEU A 41 -29.045 -4.533 -13.119 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -27.596 -6.500 -12.696 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -27.899 -5.594 -11.194 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -28.774 -7.112 -11.510 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -29.348 -6.590 -14.475 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -30.526 -7.198 -13.287 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -30.897 -5.744 -14.244 1.00 0.00 H new ATOM 569 N GLY A 42 -33.396 -4.372 -10.795 1.00 0.00 N ATOM 570 CA GLY A 42 -34.386 -3.952 -9.760 1.00 0.00 C ATOM 571 C GLY A 42 -34.096 -4.685 -8.449 1.00 0.00 C ATOM 572 O GLY A 42 -34.285 -4.147 -7.374 1.00 0.00 O ATOM 0 H GLY A 42 -33.496 -5.333 -11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -34.332 -2.874 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -35.398 -4.175 -10.098 1.00 0.00 H new ATOM 576 N GLY A 43 -33.641 -5.909 -8.533 1.00 0.00 N ATOM 577 CA GLY A 43 -33.336 -6.687 -7.295 1.00 0.00 C ATOM 578 C GLY A 43 -32.800 -8.068 -7.676 1.00 0.00 C ATOM 579 O GLY A 43 -33.460 -8.833 -8.354 1.00 0.00 O ATOM 0 H GLY A 43 -33.467 -6.404 -9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -32.602 -6.155 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -34.235 -6.790 -6.687 1.00 0.00 H new ATOM 583 N ILE A 44 -31.608 -8.389 -7.242 1.00 0.00 N ATOM 584 CA ILE A 44 -31.018 -9.720 -7.572 1.00 0.00 C ATOM 585 C ILE A 44 -31.150 -10.650 -6.364 1.00 0.00 C ATOM 586 O ILE A 44 -30.307 -10.662 -5.487 1.00 0.00 O ATOM 587 CB ILE A 44 -29.537 -9.548 -7.925 1.00 0.00 C ATOM 588 CG1 ILE A 44 -29.381 -8.475 -9.015 1.00 0.00 C ATOM 589 CG2 ILE A 44 -28.970 -10.881 -8.425 1.00 0.00 C ATOM 590 CD1 ILE A 44 -30.142 -8.882 -10.287 1.00 0.00 C ATOM 0 H ILE A 44 -31.017 -7.784 -6.672 1.00 0.00 H new ATOM 0 HA ILE A 44 -31.547 -10.152 -8.422 1.00 0.00 H new ATOM 0 HB ILE A 44 -28.990 -9.234 -7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -29.758 -7.520 -8.649 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -28.325 -8.334 -9.246 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -27.916 -10.757 -8.676 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -29.071 -11.635 -7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -29.519 -11.200 -9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -30.020 -8.110 -11.047 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -29.746 -9.826 -10.662 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -31.201 -8.999 -10.056 1.00 0.00 H new ATOM 602 N LEU A 45 -32.202 -11.426 -6.314 1.00 0.00 N ATOM 603 CA LEU A 45 -32.398 -12.359 -5.165 1.00 0.00 C ATOM 604 C LEU A 45 -31.797 -13.723 -5.506 1.00 0.00 C ATOM 605 O LEU A 45 -32.315 -14.371 -6.400 1.00 0.00 O ATOM 606 CB LEU A 45 -33.895 -12.517 -4.884 1.00 0.00 C ATOM 607 CG LEU A 45 -34.115 -12.696 -3.381 1.00 0.00 C ATOM 608 CD1 LEU A 45 -35.520 -12.218 -3.010 1.00 0.00 C ATOM 609 CD2 LEU A 45 -33.969 -14.175 -3.019 1.00 0.00 C ATOM 610 OXT LEU A 45 -30.827 -14.098 -4.867 1.00 0.00 O ATOM 0 H LEU A 45 -32.936 -11.453 -7.022 1.00 0.00 H new ATOM 0 HA LEU A 45 -31.903 -11.955 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -34.437 -11.641 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -34.289 -13.377 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 45 -33.376 -12.111 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -35.677 -12.346 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -35.626 -11.165 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -36.260 -12.803 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -34.125 -14.305 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -34.709 -14.758 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -32.969 -14.517 -3.284 1.00 0.00 H new TER 622 LEU A 45