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+ -118:sc= 0.0162 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 54:sc= 1.27 USER MOD Single : A 13 SER OG : rot -63:sc= 0.8 USER MOD Single : A 14 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.94) USER MOD Single : A 21 THR OG1 : rot 28:sc= -1.15 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -60:sc= 0.552 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.775 -0.976 -16.125 1.00 0.00 N ATOM 2 CA LEU A 1 3.564 -1.104 -15.265 1.00 0.00 C ATOM 3 C LEU A 1 3.962 -0.939 -13.797 1.00 0.00 C ATOM 4 O LEU A 1 5.044 -1.322 -13.392 1.00 0.00 O ATOM 5 CB LEU A 1 2.936 -2.485 -15.470 1.00 0.00 C ATOM 6 CG LEU A 1 1.419 -2.384 -15.314 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.783 -2.091 -16.674 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.873 -3.707 -14.773 1.00 0.00 C ATOM 0 H1 LEU A 1 4.665 -0.159 -16.760 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.614 -0.838 -15.525 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.892 -1.841 -16.691 1.00 0.00 H new ATOM 0 HA LEU A 1 2.843 -0.333 -15.536 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.186 -2.866 -16.460 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.340 -3.191 -14.745 1.00 0.00 H new ATOM 0 HG LEU A 1 1.179 -1.579 -14.620 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.299 -2.019 -16.562 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.171 -1.149 -17.062 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.023 -2.896 -17.369 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.209 -3.636 -14.661 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.114 -4.511 -15.468 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.325 -3.918 -13.804 1.00 0.00 H new ATOM 22 N LEU A 2 3.094 -0.371 -12.998 1.00 0.00 N ATOM 23 CA LEU A 2 3.414 -0.177 -11.554 1.00 0.00 C ATOM 24 C LEU A 2 2.114 -0.131 -10.745 1.00 0.00 C ATOM 25 O LEU A 2 1.364 0.823 -10.815 1.00 0.00 O ATOM 26 CB LEU A 2 4.177 1.138 -11.373 1.00 0.00 C ATOM 27 CG LEU A 2 5.214 0.979 -10.260 1.00 0.00 C ATOM 28 CD1 LEU A 2 6.417 0.199 -10.792 1.00 0.00 C ATOM 29 CD2 LEU A 2 5.672 2.362 -9.790 1.00 0.00 C ATOM 0 H LEU A 2 2.176 -0.033 -13.286 1.00 0.00 H new ATOM 0 HA LEU A 2 4.030 -1.005 -11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.669 1.416 -12.305 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.483 1.942 -11.126 1.00 0.00 H new ATOM 0 HG LEU A 2 4.770 0.438 -9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.156 0.085 -9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.092 -0.785 -11.129 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.861 0.740 -11.627 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.411 2.250 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.116 2.902 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.815 2.920 -9.412 1.00 0.00 H new ATOM 41 N ALA A 3 1.849 -1.159 -9.979 1.00 0.00 N ATOM 42 CA ALA A 3 0.602 -1.189 -9.160 1.00 0.00 C ATOM 43 C ALA A 3 0.650 -2.389 -8.209 1.00 0.00 C ATOM 44 O ALA A 3 -0.317 -3.112 -8.056 1.00 0.00 O ATOM 45 CB ALA A 3 -0.611 -1.311 -10.086 1.00 0.00 C ATOM 0 H ALA A 3 2.446 -1.981 -9.886 1.00 0.00 H new ATOM 0 HA ALA A 3 0.521 -0.270 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.523 -1.333 -9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.640 -0.456 -10.762 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.535 -2.230 -10.666 1.00 0.00 H new ATOM 51 N CYS A 4 1.771 -2.599 -7.570 1.00 0.00 N ATOM 52 CA CYS A 4 1.903 -3.745 -6.625 1.00 0.00 C ATOM 53 C CYS A 4 3.295 -3.695 -5.986 1.00 0.00 C ATOM 54 O CYS A 4 4.267 -4.153 -6.554 1.00 0.00 O ATOM 55 CB CYS A 4 1.720 -5.063 -7.393 1.00 0.00 C ATOM 56 SG CYS A 4 1.859 -6.485 -6.273 1.00 0.00 S ATOM 0 H CYS A 4 2.606 -2.021 -7.664 1.00 0.00 H new ATOM 0 HA CYS A 4 1.142 -3.683 -5.847 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.745 -5.073 -7.881 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.471 -5.139 -8.179 1.00 0.00 H new ATOM 61 N LEU A 5 3.386 -3.133 -4.810 1.00 0.00 N ATOM 62 CA LEU A 5 4.705 -3.035 -4.119 1.00 0.00 C ATOM 63 C LEU A 5 5.183 -4.432 -3.727 1.00 0.00 C ATOM 64 O LEU A 5 6.367 -4.715 -3.728 1.00 0.00 O ATOM 65 CB LEU A 5 4.566 -2.179 -2.856 1.00 0.00 C ATOM 66 CG LEU A 5 3.929 -0.833 -3.210 1.00 0.00 C ATOM 67 CD1 LEU A 5 3.690 -0.029 -1.931 1.00 0.00 C ATOM 68 CD2 LEU A 5 4.866 -0.049 -4.133 1.00 0.00 C ATOM 0 H LEU A 5 2.600 -2.736 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 5 5.427 -2.575 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.954 -2.699 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.545 -2.021 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 5 2.979 -1.005 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.236 0.930 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.023 -0.584 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.640 0.141 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.411 0.909 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.816 0.122 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.039 -0.619 -5.046 1.00 0.00 H new ATOM 80 N PHE A 6 4.270 -5.304 -3.388 1.00 0.00 N ATOM 81 CA PHE A 6 4.665 -6.689 -2.990 1.00 0.00 C ATOM 82 C PHE A 6 3.724 -7.709 -3.638 1.00 0.00 C ATOM 83 O PHE A 6 4.056 -8.321 -4.636 1.00 0.00 O ATOM 84 CB PHE A 6 4.606 -6.819 -1.463 1.00 0.00 C ATOM 85 CG PHE A 6 5.669 -5.945 -0.842 1.00 0.00 C ATOM 86 CD1 PHE A 6 6.978 -6.425 -0.708 1.00 0.00 C ATOM 87 CD2 PHE A 6 5.347 -4.657 -0.401 1.00 0.00 C ATOM 88 CE1 PHE A 6 7.964 -5.615 -0.133 1.00 0.00 C ATOM 89 CE2 PHE A 6 6.333 -3.846 0.175 1.00 0.00 C ATOM 90 CZ PHE A 6 7.642 -4.326 0.309 1.00 0.00 C ATOM 0 H PHE A 6 3.267 -5.118 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 6 5.682 -6.884 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 6 3.621 -6.525 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.757 -7.858 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.226 -7.419 -1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.337 -4.288 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.974 -5.984 -0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.084 -2.852 0.515 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.403 -3.702 0.753 1.00 0.00 H new ATOM 100 N GLY A 7 2.556 -7.899 -3.079 1.00 0.00 N ATOM 101 CA GLY A 7 1.592 -8.883 -3.655 1.00 0.00 C ATOM 102 C GLY A 7 1.979 -10.297 -3.219 1.00 0.00 C ATOM 103 O GLY A 7 1.719 -11.260 -3.917 1.00 0.00 O ATOM 0 H GLY A 7 2.228 -7.412 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.580 -8.653 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.593 -8.814 -4.743 1.00 0.00 H new ATOM 107 N ASN A 8 2.596 -10.429 -2.071 1.00 0.00 N ATOM 108 CA ASN A 8 2.999 -11.782 -1.585 1.00 0.00 C ATOM 109 C ASN A 8 1.919 -12.364 -0.660 1.00 0.00 C ATOM 110 O ASN A 8 2.123 -13.389 -0.037 1.00 0.00 O ATOM 111 CB ASN A 8 4.319 -11.672 -0.819 1.00 0.00 C ATOM 112 CG ASN A 8 5.483 -11.635 -1.810 1.00 0.00 C ATOM 113 OD1 ASN A 8 5.798 -10.596 -2.357 1.00 0.00 O ATOM 114 ND2 ASN A 8 6.141 -12.732 -2.067 1.00 0.00 N ATOM 0 H ASN A 8 2.838 -9.657 -1.450 1.00 0.00 H new ATOM 0 HA ASN A 8 3.121 -12.443 -2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.321 -10.771 -0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.431 -12.519 -0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.919 -12.717 -2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.877 -13.604 -1.608 1.00 0.00 H new ATOM 121 N GLY A 9 0.773 -11.729 -0.570 1.00 0.00 N ATOM 122 CA GLY A 9 -0.314 -12.254 0.304 1.00 0.00 C ATOM 123 C GLY A 9 -0.092 -11.848 1.770 1.00 0.00 C ATOM 124 O GLY A 9 -0.933 -12.104 2.611 1.00 0.00 O ATOM 0 H GLY A 9 0.548 -10.868 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.276 -11.874 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.354 -13.341 0.227 1.00 0.00 H new ATOM 128 N ARG A 10 1.018 -11.219 2.089 1.00 0.00 N ATOM 129 CA ARG A 10 1.269 -10.809 3.504 1.00 0.00 C ATOM 130 C ARG A 10 1.547 -9.307 3.554 1.00 0.00 C ATOM 131 O ARG A 10 2.255 -8.770 2.722 1.00 0.00 O ATOM 132 CB ARG A 10 2.476 -11.568 4.055 1.00 0.00 C ATOM 133 CG ARG A 10 3.668 -11.360 3.123 1.00 0.00 C ATOM 134 CD ARG A 10 4.857 -12.185 3.616 1.00 0.00 C ATOM 135 NE ARG A 10 4.491 -13.635 3.618 1.00 0.00 N ATOM 136 CZ ARG A 10 5.226 -14.528 4.250 1.00 0.00 C ATOM 137 NH1 ARG A 10 6.313 -14.187 4.906 1.00 0.00 N ATOM 138 NH2 ARG A 10 4.867 -15.783 4.224 1.00 0.00 N ATOM 0 H ARG A 10 1.757 -10.974 1.430 1.00 0.00 H new ATOM 0 HA ARG A 10 0.392 -11.040 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.717 -11.214 5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.246 -12.630 4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.404 -11.655 2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.935 -10.304 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.721 -12.018 2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.141 -11.869 4.620 1.00 0.00 H new ATOM 0 HE ARG A 10 3.655 -13.939 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.606 -13.210 4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.863 -14.899 5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.026 -16.063 3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.427 -16.484 4.709 1.00 0.00 H new ATOM 152 N CYS A 11 0.990 -8.630 4.519 1.00 0.00 N ATOM 153 CA CYS A 11 1.208 -7.156 4.629 1.00 0.00 C ATOM 154 C CYS A 11 1.121 -6.703 6.086 1.00 0.00 C ATOM 155 O CYS A 11 0.760 -7.454 6.969 1.00 0.00 O ATOM 156 CB CYS A 11 0.136 -6.414 3.827 1.00 0.00 C ATOM 157 SG CYS A 11 -1.514 -6.980 4.336 1.00 0.00 S ATOM 0 H CYS A 11 0.391 -9.033 5.240 1.00 0.00 H new ATOM 0 HA CYS A 11 2.200 -6.930 4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.228 -5.340 3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.279 -6.591 2.761 1.00 0.00 H new ATOM 162 N SER A 12 1.419 -5.453 6.319 1.00 0.00 N ATOM 163 CA SER A 12 1.332 -4.886 7.695 1.00 0.00 C ATOM 164 C SER A 12 0.401 -3.656 7.682 1.00 0.00 C ATOM 165 O SER A 12 0.237 -2.984 8.682 1.00 0.00 O ATOM 166 CB SER A 12 2.725 -4.465 8.163 1.00 0.00 C ATOM 167 OG SER A 12 3.456 -3.951 7.058 1.00 0.00 O ATOM 0 H SER A 12 1.723 -4.792 5.604 1.00 0.00 H new ATOM 0 HA SER A 12 0.934 -5.639 8.375 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.646 -3.709 8.945 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.249 -5.317 8.596 1.00 0.00 H new ATOM 0 HG SER A 12 2.939 -3.240 6.626 1.00 0.00 H new ATOM 173 N SER A 13 -0.211 -3.362 6.553 1.00 0.00 N ATOM 174 CA SER A 13 -1.127 -2.194 6.455 1.00 0.00 C ATOM 175 C SER A 13 -1.755 -2.200 5.059 1.00 0.00 C ATOM 176 O SER A 13 -1.347 -2.958 4.200 1.00 0.00 O ATOM 177 CB SER A 13 -0.338 -0.900 6.661 1.00 0.00 C ATOM 178 OG SER A 13 0.821 -0.921 5.838 1.00 0.00 O ATOM 0 H SER A 13 -0.107 -3.894 5.689 1.00 0.00 H new ATOM 0 HA SER A 13 -1.902 -2.255 7.219 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.958 -0.039 6.413 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.053 -0.797 7.708 1.00 0.00 H new ATOM 0 HG SER A 13 1.401 -1.664 6.108 1.00 0.00 H new ATOM 184 N ASN A 14 -2.740 -1.372 4.825 1.00 0.00 N ATOM 185 CA ASN A 14 -3.393 -1.345 3.479 1.00 0.00 C ATOM 186 C ASN A 14 -2.369 -0.941 2.412 1.00 0.00 C ATOM 187 O ASN A 14 -2.366 -1.465 1.314 1.00 0.00 O ATOM 188 CB ASN A 14 -4.545 -0.339 3.491 1.00 0.00 C ATOM 189 CG ASN A 14 -5.835 -1.050 3.908 1.00 0.00 C ATOM 190 OD1 ASN A 14 -5.855 -1.775 4.882 1.00 0.00 O ATOM 191 ND2 ASN A 14 -6.920 -0.874 3.204 1.00 0.00 N ATOM 0 H ASN A 14 -3.121 -0.714 5.505 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.779 -2.338 3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.325 0.475 4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.665 0.106 2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.784 -1.345 3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.904 -0.265 2.386 1.00 0.00 H new ATOM 198 N ARG A 15 -1.501 -0.014 2.729 1.00 0.00 N ATOM 199 CA ARG A 15 -0.476 0.432 1.737 1.00 0.00 C ATOM 200 C ARG A 15 0.545 -0.682 1.468 1.00 0.00 C ATOM 201 O ARG A 15 1.337 -0.586 0.549 1.00 0.00 O ATOM 202 CB ARG A 15 0.248 1.668 2.274 1.00 0.00 C ATOM 203 CG ARG A 15 -0.460 2.931 1.778 1.00 0.00 C ATOM 204 CD ARG A 15 0.220 4.173 2.366 1.00 0.00 C ATOM 205 NE ARG A 15 0.460 5.169 1.276 1.00 0.00 N ATOM 206 CZ ARG A 15 1.146 6.274 1.494 1.00 0.00 C ATOM 207 NH1 ARG A 15 1.648 6.551 2.676 1.00 0.00 N ATOM 208 NH2 ARG A 15 1.331 7.112 0.511 1.00 0.00 N ATOM 0 H ARG A 15 -1.458 0.454 3.634 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.980 0.673 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.261 1.650 3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.286 1.667 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.432 2.971 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.510 2.908 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.407 4.611 3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.164 3.897 2.836 1.00 0.00 H new ATOM 0 HE ARG A 15 0.085 4.990 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.511 5.904 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.175 7.413 2.817 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.947 6.908 -0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.860 7.971 0.665 1.00 0.00 H new ATOM 222 N ASP A 16 0.536 -1.734 2.250 1.00 0.00 N ATOM 223 CA ASP A 16 1.506 -2.844 2.024 1.00 0.00 C ATOM 224 C ASP A 16 0.908 -3.881 1.060 1.00 0.00 C ATOM 225 O ASP A 16 1.406 -4.987 0.959 1.00 0.00 O ATOM 226 CB ASP A 16 1.818 -3.518 3.361 1.00 0.00 C ATOM 227 CG ASP A 16 2.967 -2.779 4.049 1.00 0.00 C ATOM 228 OD1 ASP A 16 4.021 -2.668 3.444 1.00 0.00 O ATOM 229 OD2 ASP A 16 2.774 -2.337 5.170 1.00 0.00 O ATOM 0 H ASP A 16 -0.102 -1.869 3.034 1.00 0.00 H new ATOM 0 HA ASP A 16 2.419 -2.438 1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.934 -3.512 3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.087 -4.562 3.200 1.00 0.00 H new ATOM 234 N CYS A 17 -0.149 -3.543 0.352 1.00 0.00 N ATOM 235 CA CYS A 17 -0.758 -4.526 -0.595 1.00 0.00 C ATOM 236 C CYS A 17 -0.671 -3.992 -2.028 1.00 0.00 C ATOM 237 O CYS A 17 -0.015 -3.001 -2.288 1.00 0.00 O ATOM 238 CB CYS A 17 -2.220 -4.759 -0.219 1.00 0.00 C ATOM 239 SG CYS A 17 -2.297 -5.579 1.389 1.00 0.00 S ATOM 0 H CYS A 17 -0.610 -2.634 0.391 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.214 -5.468 -0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.754 -3.810 -0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.710 -5.371 -0.976 1.00 0.00 H new ATOM 244 N CYS A 18 -1.319 -4.650 -2.962 1.00 0.00 N ATOM 245 CA CYS A 18 -1.264 -4.189 -4.382 1.00 0.00 C ATOM 246 C CYS A 18 -2.658 -3.749 -4.840 1.00 0.00 C ATOM 247 O CYS A 18 -3.597 -3.728 -4.067 1.00 0.00 O ATOM 248 CB CYS A 18 -0.768 -5.333 -5.274 1.00 0.00 C ATOM 249 SG CYS A 18 0.802 -5.970 -4.629 1.00 0.00 S ATOM 0 H CYS A 18 -1.882 -5.485 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.579 -3.345 -4.459 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.510 -6.131 -5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.636 -4.979 -6.297 1.00 0.00 H new ATOM 254 N GLU A 19 -2.793 -3.392 -6.093 1.00 0.00 N ATOM 255 CA GLU A 19 -4.119 -2.944 -6.616 1.00 0.00 C ATOM 256 C GLU A 19 -5.130 -4.089 -6.521 1.00 0.00 C ATOM 257 O GLU A 19 -6.247 -3.904 -6.079 1.00 0.00 O ATOM 258 CB GLU A 19 -3.972 -2.518 -8.079 1.00 0.00 C ATOM 259 CG GLU A 19 -4.938 -1.369 -8.378 1.00 0.00 C ATOM 260 CD GLU A 19 -6.235 -1.931 -8.964 1.00 0.00 C ATOM 261 OE1 GLU A 19 -6.724 -2.916 -8.434 1.00 0.00 O ATOM 262 OE2 GLU A 19 -6.718 -1.368 -9.932 1.00 0.00 O ATOM 0 H GLU A 19 -2.038 -3.392 -6.779 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.472 -2.102 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.947 -2.205 -8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.180 -3.362 -8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.150 -0.812 -7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.482 -0.670 -9.080 1.00 0.00 H new ATOM 269 N LEU A 20 -4.745 -5.272 -6.933 1.00 0.00 N ATOM 270 CA LEU A 20 -5.679 -6.441 -6.870 1.00 0.00 C ATOM 271 C LEU A 20 -6.173 -6.646 -5.432 1.00 0.00 C ATOM 272 O LEU A 20 -7.219 -7.224 -5.203 1.00 0.00 O ATOM 273 CB LEU A 20 -4.945 -7.700 -7.340 1.00 0.00 C ATOM 274 CG LEU A 20 -5.963 -8.744 -7.800 1.00 0.00 C ATOM 275 CD1 LEU A 20 -5.377 -9.554 -8.958 1.00 0.00 C ATOM 276 CD2 LEU A 20 -6.292 -9.683 -6.637 1.00 0.00 C ATOM 0 H LEU A 20 -3.821 -5.480 -7.312 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.536 -6.249 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.266 -7.454 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.337 -8.102 -6.530 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.872 -8.242 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.103 -10.298 -9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.142 -8.886 -9.787 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.467 -10.056 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.018 -10.427 -6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.383 -10.184 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.710 -9.107 -5.812 1.00 0.00 H new ATOM 288 N THR A 21 -5.426 -6.174 -4.464 1.00 0.00 N ATOM 289 CA THR A 21 -5.839 -6.331 -3.039 1.00 0.00 C ATOM 290 C THR A 21 -5.660 -4.989 -2.319 1.00 0.00 C ATOM 291 O THR A 21 -4.623 -4.741 -1.744 1.00 0.00 O ATOM 292 CB THR A 21 -4.953 -7.387 -2.374 1.00 0.00 C ATOM 293 OG1 THR A 21 -3.588 -7.008 -2.515 1.00 0.00 O ATOM 294 CG2 THR A 21 -5.182 -8.744 -3.040 1.00 0.00 C ATOM 0 H THR A 21 -4.542 -5.684 -4.603 1.00 0.00 H new ATOM 0 HA THR A 21 -6.882 -6.643 -2.984 1.00 0.00 H new ATOM 0 HB THR A 21 -5.204 -7.462 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.524 -6.032 -2.573 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.550 -9.494 -2.565 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.228 -9.030 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.931 -8.677 -4.099 1.00 0.00 H new ATOM 302 N PRO A 22 -6.670 -4.151 -2.369 1.00 0.00 N ATOM 303 CA PRO A 22 -6.641 -2.804 -1.717 1.00 0.00 C ATOM 304 C PRO A 22 -6.866 -2.890 -0.201 1.00 0.00 C ATOM 305 O PRO A 22 -6.959 -1.873 0.460 1.00 0.00 O ATOM 306 CB PRO A 22 -7.778 -2.051 -2.393 1.00 0.00 C ATOM 307 CG PRO A 22 -8.752 -3.090 -2.913 1.00 0.00 C ATOM 308 CD PRO A 22 -7.980 -4.399 -3.074 1.00 0.00 C ATOM 0 HA PRO A 22 -5.673 -2.315 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.269 -1.381 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.401 -1.434 -3.209 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.584 -3.217 -2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.177 -2.775 -3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.519 -5.235 -2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.826 -4.643 -4.125 1.00 0.00 H new ATOM 316 N VAL A 23 -6.952 -4.077 0.363 1.00 0.00 N ATOM 317 CA VAL A 23 -7.167 -4.171 1.843 1.00 0.00 C ATOM 318 C VAL A 23 -6.093 -5.054 2.494 1.00 0.00 C ATOM 319 O VAL A 23 -5.623 -6.015 1.918 1.00 0.00 O ATOM 320 CB VAL A 23 -8.568 -4.730 2.126 1.00 0.00 C ATOM 321 CG1 VAL A 23 -8.706 -6.155 1.588 1.00 0.00 C ATOM 322 CG2 VAL A 23 -8.828 -4.725 3.636 1.00 0.00 C ATOM 0 H VAL A 23 -6.884 -4.968 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.088 -3.173 2.275 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.300 -4.098 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.707 -6.529 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.540 -6.155 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.969 -6.798 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.823 -5.122 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.083 -5.345 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.763 -3.704 4.013 1.00 0.00 H new ATOM 332 N CYS A 24 -5.715 -4.723 3.704 1.00 0.00 N ATOM 333 CA CYS A 24 -4.685 -5.520 4.432 1.00 0.00 C ATOM 334 C CYS A 24 -5.279 -5.962 5.772 1.00 0.00 C ATOM 335 O CYS A 24 -5.287 -5.217 6.735 1.00 0.00 O ATOM 336 CB CYS A 24 -3.441 -4.648 4.662 1.00 0.00 C ATOM 337 SG CYS A 24 -2.178 -5.555 5.604 1.00 0.00 S ATOM 0 H CYS A 24 -6.082 -3.925 4.222 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.395 -6.397 3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.029 -4.334 3.703 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.721 -3.742 5.200 1.00 0.00 H new ATOM 342 N LYS A 25 -5.780 -7.167 5.834 1.00 0.00 N ATOM 343 CA LYS A 25 -6.384 -7.669 7.105 1.00 0.00 C ATOM 344 C LYS A 25 -5.744 -9.002 7.493 1.00 0.00 C ATOM 345 O LYS A 25 -5.377 -9.794 6.647 1.00 0.00 O ATOM 346 CB LYS A 25 -7.888 -7.864 6.909 1.00 0.00 C ATOM 347 CG LYS A 25 -8.613 -6.544 7.182 1.00 0.00 C ATOM 348 CD LYS A 25 -10.104 -6.816 7.398 1.00 0.00 C ATOM 349 CE LYS A 25 -10.851 -6.651 6.073 1.00 0.00 C ATOM 350 NZ LYS A 25 -12.319 -6.641 6.329 1.00 0.00 N ATOM 0 H LYS A 25 -5.797 -7.828 5.057 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.208 -6.943 7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.093 -8.200 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.256 -8.639 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.190 -6.059 8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.475 -5.861 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.248 -7.825 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.506 -6.128 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.550 -5.724 5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.595 -7.465 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.828 -6.529 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.600 -7.537 6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.556 -5.850 6.961 1.00 0.00 H new ATOM 364 N ARG A 26 -5.612 -9.253 8.772 1.00 0.00 N ATOM 365 CA ARG A 26 -4.999 -10.533 9.242 1.00 0.00 C ATOM 366 C ARG A 26 -3.566 -10.648 8.714 1.00 0.00 C ATOM 367 O ARG A 26 -3.090 -11.729 8.424 1.00 0.00 O ATOM 368 CB ARG A 26 -5.828 -11.720 8.740 1.00 0.00 C ATOM 369 CG ARG A 26 -6.903 -12.064 9.772 1.00 0.00 C ATOM 370 CD ARG A 26 -7.183 -13.567 9.735 1.00 0.00 C ATOM 371 NE ARG A 26 -8.338 -13.836 8.823 1.00 0.00 N ATOM 372 CZ ARG A 26 -8.910 -15.023 8.768 1.00 0.00 C ATOM 373 NH1 ARG A 26 -8.490 -16.024 9.508 1.00 0.00 N ATOM 374 NH2 ARG A 26 -9.915 -15.209 7.958 1.00 0.00 N ATOM 0 H ARG A 26 -5.905 -8.620 9.516 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.982 -10.540 10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.291 -11.475 7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.183 -12.582 8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.573 -11.769 10.768 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.816 -11.508 9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.300 -14.104 9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.405 -13.931 10.738 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.691 -13.085 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.704 -15.893 10.144 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.950 -16.932 9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.250 -14.441 7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.366 -16.122 7.906 1.00 0.00 H new ATOM 388 N GLY A 27 -2.879 -9.541 8.591 1.00 0.00 N ATOM 389 CA GLY A 27 -1.473 -9.574 8.087 1.00 0.00 C ATOM 390 C GLY A 27 -1.442 -10.159 6.673 1.00 0.00 C ATOM 391 O GLY A 27 -0.467 -10.760 6.263 1.00 0.00 O ATOM 0 H GLY A 27 -3.233 -8.612 8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.055 -8.567 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.853 -10.174 8.752 1.00 0.00 H new ATOM 395 N SER A 28 -2.504 -9.987 5.927 1.00 0.00 N ATOM 396 CA SER A 28 -2.546 -10.528 4.538 1.00 0.00 C ATOM 397 C SER A 28 -3.280 -9.540 3.632 1.00 0.00 C ATOM 398 O SER A 28 -3.921 -8.623 4.102 1.00 0.00 O ATOM 399 CB SER A 28 -3.280 -11.869 4.533 1.00 0.00 C ATOM 400 OG SER A 28 -2.379 -12.899 4.915 1.00 0.00 O ATOM 0 H SER A 28 -3.346 -9.493 6.223 1.00 0.00 H new ATOM 0 HA SER A 28 -1.529 -10.672 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.125 -11.836 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.683 -12.072 3.541 1.00 0.00 H new ATOM 0 HG SER A 28 -1.632 -12.932 4.281 1.00 0.00 H new ATOM 406 N CYS A 29 -3.186 -9.715 2.338 1.00 0.00 N ATOM 407 CA CYS A 29 -3.879 -8.773 1.405 1.00 0.00 C ATOM 408 C CYS A 29 -5.066 -9.468 0.742 1.00 0.00 C ATOM 409 O CYS A 29 -4.982 -10.617 0.351 1.00 0.00 O ATOM 410 CB CYS A 29 -2.914 -8.330 0.306 1.00 0.00 C ATOM 411 SG CYS A 29 -1.535 -7.415 1.027 1.00 0.00 S ATOM 0 H CYS A 29 -2.662 -10.466 1.888 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.223 -7.912 1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.541 -9.200 -0.234 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.437 -7.705 -0.418 1.00 0.00 H new ATOM 416 N VAL A 30 -6.164 -8.768 0.588 1.00 0.00 N ATOM 417 CA VAL A 30 -7.344 -9.372 -0.080 1.00 0.00 C ATOM 418 C VAL A 30 -8.143 -8.267 -0.775 1.00 0.00 C ATOM 419 O VAL A 30 -7.729 -7.113 -0.825 1.00 0.00 O ATOM 420 CB VAL A 30 -8.217 -10.108 0.947 1.00 0.00 C ATOM 421 CG1 VAL A 30 -7.370 -11.149 1.681 1.00 0.00 C ATOM 422 CG2 VAL A 30 -8.789 -9.118 1.962 1.00 0.00 C ATOM 0 H VAL A 30 -6.288 -7.804 0.899 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.014 -10.098 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.039 -10.598 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.988 -11.672 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.971 -11.865 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.546 -10.652 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.406 -9.653 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.972 -8.618 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.397 -8.377 1.444 1.00 0.00 H new ATOM 432 N SER A 31 -9.278 -8.618 -1.313 1.00 0.00 N ATOM 433 CA SER A 31 -10.121 -7.616 -2.020 1.00 0.00 C ATOM 434 C SER A 31 -10.974 -6.847 -1.013 1.00 0.00 C ATOM 435 O SER A 31 -11.797 -7.414 -0.319 1.00 0.00 O ATOM 436 CB SER A 31 -11.030 -8.329 -3.021 1.00 0.00 C ATOM 437 OG SER A 31 -10.342 -8.478 -4.256 1.00 0.00 O ATOM 0 H SER A 31 -9.660 -9.564 -1.292 1.00 0.00 H new ATOM 0 HA SER A 31 -9.475 -6.915 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.322 -9.305 -2.634 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.947 -7.758 -3.169 1.00 0.00 H new ATOM 0 HG SER A 31 -10.921 -8.936 -4.900 1.00 0.00 H new ATOM 443 N SER A 32 -10.783 -5.555 -0.937 1.00 0.00 N ATOM 444 CA SER A 32 -11.577 -4.728 0.018 1.00 0.00 C ATOM 445 C SER A 32 -13.059 -4.795 -0.362 1.00 0.00 C ATOM 446 O SER A 32 -13.910 -5.051 0.469 1.00 0.00 O ATOM 447 CB SER A 32 -11.098 -3.276 -0.045 1.00 0.00 C ATOM 448 OG SER A 32 -11.565 -2.677 -1.247 1.00 0.00 O ATOM 0 H SER A 32 -10.108 -5.036 -1.498 1.00 0.00 H new ATOM 0 HA SER A 32 -11.444 -5.110 1.030 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.467 -2.722 0.818 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.009 -3.238 -0.006 1.00 0.00 H new ATOM 0 HG SER A 32 -11.261 -1.746 -1.288 1.00 0.00 H new ATOM 454 N GLY A 33 -13.368 -4.569 -1.613 1.00 0.00 N ATOM 455 CA GLY A 33 -14.792 -4.619 -2.061 1.00 0.00 C ATOM 456 C GLY A 33 -15.499 -3.308 -1.676 1.00 0.00 C ATOM 457 O GLY A 33 -15.130 -2.684 -0.701 1.00 0.00 O ATOM 0 H GLY A 33 -12.693 -4.351 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.840 -4.767 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.299 -5.467 -1.601 1.00 0.00 H new ATOM 461 N PRO A 34 -16.500 -2.923 -2.447 1.00 0.00 N ATOM 462 CA PRO A 34 -17.291 -1.673 -2.204 1.00 0.00 C ATOM 463 C PRO A 34 -18.414 -1.938 -1.197 1.00 0.00 C ATOM 464 O PRO A 34 -19.564 -2.094 -1.564 1.00 0.00 O ATOM 465 CB PRO A 34 -17.859 -1.344 -3.576 1.00 0.00 C ATOM 466 CG PRO A 34 -17.913 -2.640 -4.367 1.00 0.00 C ATOM 467 CD PRO A 34 -17.004 -3.654 -3.666 1.00 0.00 C ATOM 0 HA PRO A 34 -16.696 -0.861 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -18.854 -0.908 -3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -17.234 -0.610 -4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.935 -3.014 -4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.583 -2.476 -5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.552 -4.555 -3.391 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.182 -3.965 -4.312 1.00 0.00 H new ATOM 475 N GLY A 35 -18.087 -1.990 0.069 1.00 0.00 N ATOM 476 CA GLY A 35 -19.128 -2.243 1.108 1.00 0.00 C ATOM 477 C GLY A 35 -18.923 -3.634 1.712 1.00 0.00 C ATOM 478 O GLY A 35 -19.196 -4.639 1.082 1.00 0.00 O ATOM 0 H GLY A 35 -17.140 -1.868 0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -19.069 -1.484 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -20.122 -2.170 0.667 1.00 0.00 H new ATOM 482 N LEU A 36 -18.441 -3.695 2.926 1.00 0.00 N ATOM 483 CA LEU A 36 -18.213 -5.017 3.581 1.00 0.00 C ATOM 484 C LEU A 36 -19.511 -5.496 4.233 1.00 0.00 C ATOM 485 O LEU A 36 -19.939 -4.969 5.242 1.00 0.00 O ATOM 486 CB LEU A 36 -17.128 -4.875 4.651 1.00 0.00 C ATOM 487 CG LEU A 36 -15.755 -5.122 4.023 1.00 0.00 C ATOM 488 CD1 LEU A 36 -14.704 -4.280 4.745 1.00 0.00 C ATOM 489 CD2 LEU A 36 -15.396 -6.604 4.154 1.00 0.00 C ATOM 0 H LEU A 36 -18.195 -2.884 3.493 1.00 0.00 H new ATOM 0 HA LEU A 36 -17.894 -5.742 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.164 -3.878 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -17.303 -5.586 5.458 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.782 -4.844 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.726 -4.456 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.959 -3.224 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.676 -4.558 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.418 -6.782 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.369 -6.880 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.145 -7.207 3.640 1.00 0.00 H new ATOM 501 N VAL A 37 -20.140 -6.490 3.659 1.00 0.00 N ATOM 502 CA VAL A 37 -21.414 -7.012 4.236 1.00 0.00 C ATOM 503 C VAL A 37 -21.120 -8.253 5.081 1.00 0.00 C ATOM 504 O VAL A 37 -21.707 -8.453 6.128 1.00 0.00 O ATOM 505 CB VAL A 37 -22.374 -7.381 3.104 1.00 0.00 C ATOM 506 CG1 VAL A 37 -23.733 -7.767 3.691 1.00 0.00 C ATOM 507 CG2 VAL A 37 -22.547 -6.182 2.169 1.00 0.00 C ATOM 0 H VAL A 37 -19.824 -6.964 2.813 1.00 0.00 H new ATOM 0 HA VAL A 37 -21.870 -6.245 4.863 1.00 0.00 H new ATOM 0 HB VAL A 37 -21.967 -8.223 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -24.417 -8.030 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -23.612 -8.621 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -24.140 -6.925 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -23.231 -6.445 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -22.953 -5.340 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -21.580 -5.906 1.749 1.00 0.00 H new ATOM 517 N GLY A 38 -20.217 -9.085 4.631 1.00 0.00 N ATOM 518 CA GLY A 38 -19.878 -10.320 5.401 1.00 0.00 C ATOM 519 C GLY A 38 -18.699 -10.035 6.332 1.00 0.00 C ATOM 520 O GLY A 38 -18.879 -9.708 7.490 1.00 0.00 O ATOM 0 H GLY A 38 -19.698 -8.963 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -20.741 -10.648 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -19.627 -11.130 4.717 1.00 0.00 H new ATOM 524 N GLY A 39 -17.495 -10.159 5.834 1.00 0.00 N ATOM 525 CA GLY A 39 -16.296 -9.898 6.683 1.00 0.00 C ATOM 526 C GLY A 39 -15.874 -11.194 7.380 1.00 0.00 C ATOM 527 O GLY A 39 -16.397 -12.257 7.100 1.00 0.00 O ATOM 0 H GLY A 39 -17.291 -10.431 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.478 -9.519 6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.521 -9.131 7.424 1.00 0.00 H new ATOM 531 N ILE A 40 -14.933 -11.111 8.286 1.00 0.00 N ATOM 532 CA ILE A 40 -14.469 -12.333 9.007 1.00 0.00 C ATOM 533 C ILE A 40 -15.124 -12.385 10.389 1.00 0.00 C ATOM 534 O ILE A 40 -14.527 -12.833 11.352 1.00 0.00 O ATOM 535 CB ILE A 40 -12.945 -12.286 9.163 1.00 0.00 C ATOM 536 CG1 ILE A 40 -12.288 -12.040 7.794 1.00 0.00 C ATOM 537 CG2 ILE A 40 -12.447 -13.611 9.746 1.00 0.00 C ATOM 538 CD1 ILE A 40 -12.642 -13.171 6.818 1.00 0.00 C ATOM 0 H ILE A 40 -14.465 -10.246 8.558 1.00 0.00 H new ATOM 0 HA ILE A 40 -14.747 -13.221 8.439 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.678 -11.473 9.838 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.622 -11.085 7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.206 -11.976 7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.363 -13.576 9.856 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.906 -13.775 10.721 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -12.717 -14.428 9.076 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -12.169 -12.981 5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -12.285 -14.121 7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -13.723 -13.215 6.689 1.00 0.00 H new ATOM 550 N LEU A 41 -16.347 -11.932 10.493 1.00 0.00 N ATOM 551 CA LEU A 41 -17.050 -11.951 11.809 1.00 0.00 C ATOM 552 C LEU A 41 -18.218 -12.939 11.749 1.00 0.00 C ATOM 553 O LEU A 41 -19.345 -12.565 11.487 1.00 0.00 O ATOM 554 CB LEU A 41 -17.582 -10.551 12.123 1.00 0.00 C ATOM 555 CG LEU A 41 -16.444 -9.678 12.651 1.00 0.00 C ATOM 556 CD1 LEU A 41 -16.739 -8.210 12.343 1.00 0.00 C ATOM 557 CD2 LEU A 41 -16.319 -9.864 14.165 1.00 0.00 C ATOM 0 H LEU A 41 -16.890 -11.548 9.720 1.00 0.00 H new ATOM 0 HA LEU A 41 -16.353 -12.259 12.589 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -18.011 -10.104 11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.381 -10.612 12.862 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.511 -9.970 12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.927 -7.589 12.720 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -16.829 -8.075 11.265 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.673 -7.918 12.824 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.508 -9.242 14.542 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.253 -9.573 14.646 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.107 -10.910 14.387 1.00 0.00 H new ATOM 569 N GLY A 42 -17.952 -14.198 11.993 1.00 0.00 N ATOM 570 CA GLY A 42 -19.039 -15.220 11.952 1.00 0.00 C ATOM 571 C GLY A 42 -18.430 -16.609 11.751 1.00 0.00 C ATOM 572 O GLY A 42 -17.913 -17.207 12.675 1.00 0.00 O ATOM 0 H GLY A 42 -17.026 -14.561 12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -19.612 -15.194 12.879 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -19.733 -14.995 11.142 1.00 0.00 H new ATOM 576 N GLY A 43 -18.491 -17.123 10.549 1.00 0.00 N ATOM 577 CA GLY A 43 -17.919 -18.474 10.277 1.00 0.00 C ATOM 578 C GLY A 43 -18.905 -19.550 10.731 1.00 0.00 C ATOM 579 O GLY A 43 -18.517 -20.637 11.112 1.00 0.00 O ATOM 0 H GLY A 43 -18.914 -16.663 9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -17.710 -18.584 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.971 -18.591 10.802 1.00 0.00 H new ATOM 583 N ILE A 44 -20.180 -19.252 10.691 1.00 0.00 N ATOM 584 CA ILE A 44 -21.212 -20.246 11.117 1.00 0.00 C ATOM 585 C ILE A 44 -20.989 -20.618 12.587 1.00 0.00 C ATOM 586 O ILE A 44 -19.928 -20.396 13.140 1.00 0.00 O ATOM 587 CB ILE A 44 -21.112 -21.502 10.244 1.00 0.00 C ATOM 588 CG1 ILE A 44 -21.234 -21.112 8.768 1.00 0.00 C ATOM 589 CG2 ILE A 44 -22.242 -22.470 10.604 1.00 0.00 C ATOM 590 CD1 ILE A 44 -20.397 -22.067 7.917 1.00 0.00 C ATOM 0 H ILE A 44 -20.553 -18.355 10.379 1.00 0.00 H new ATOM 0 HA ILE A 44 -22.204 -19.809 11.002 1.00 0.00 H new ATOM 0 HB ILE A 44 -20.150 -21.983 10.417 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -22.278 -21.150 8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.895 -20.086 8.623 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.169 -23.362 9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -22.159 -22.752 11.654 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -23.204 -21.986 10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -20.484 -21.789 6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -19.353 -22.007 8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -20.757 -23.087 8.054 1.00 0.00 H new ATOM 602 N LEU A 45 -21.986 -21.182 13.222 1.00 0.00 N ATOM 603 CA LEU A 45 -21.844 -21.572 14.655 1.00 0.00 C ATOM 604 C LEU A 45 -21.885 -23.096 14.776 1.00 0.00 C ATOM 605 O LEU A 45 -22.173 -23.742 13.782 1.00 0.00 O ATOM 606 CB LEU A 45 -22.991 -20.965 15.465 1.00 0.00 C ATOM 607 CG LEU A 45 -22.717 -19.478 15.704 1.00 0.00 C ATOM 608 CD1 LEU A 45 -23.188 -18.672 14.493 1.00 0.00 C ATOM 609 CD2 LEU A 45 -23.475 -19.015 16.950 1.00 0.00 C ATOM 610 OXT LEU A 45 -21.627 -23.592 15.860 1.00 0.00 O ATOM 0 H LEU A 45 -22.894 -21.389 12.807 1.00 0.00 H new ATOM 0 HA LEU A 45 -20.893 -21.203 15.039 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.933 -21.091 14.932 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.092 -21.485 16.418 1.00 0.00 H new ATOM 0 HG LEU A 45 -21.648 -19.324 15.850 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -22.993 -17.613 14.663 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.650 -19.002 13.605 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.257 -18.825 14.347 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.281 -17.956 17.122 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.544 -19.169 16.804 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.141 -19.590 17.814 1.00 0.00 H new TER 622 LEU A 45