USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 245 hydrogens (21 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 NoAdj-H: A 2 HYP H : A 2 HYP N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 11 HYP H : A 11 HYP N : A 10 LYS C :(H bumps) USER MOD NoAdj-H: A 29 HYP H : A 29 HYP N : A 28 ALA C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0968 (180deg=0) USER MOD Single : A 2 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0096) USER MOD Single : A 10 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0787) USER MOD Single : A 11 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -8.09! C(o=-8.1!,f=-7.3!) USER MOD Single : A 20 ASN : amide:sc= 0.034 K(o=0.034,f=-9.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HYP OD1 : rot -28:sc= 0.446 USER MOD Single : A 30 SER OG : rot -164:sc= 0.0108 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.82! C(o=-1.8!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.856 -0.465 -2.072 1.00 0.00 N ATOM 2 CA GLY A 1 14.191 -1.773 -1.436 1.00 0.00 C ATOM 3 C GLY A 1 13.812 -2.924 -2.382 1.00 0.00 C ATOM 4 O GLY A 1 13.069 -2.724 -3.319 1.00 0.00 O ATOM 0 H1 GLY A 1 14.727 0.084 -2.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.396 -0.633 -2.989 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.211 0.067 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.256 -1.814 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.657 -1.876 -0.491 1.00 0.00 H new HETATM 10 N HYP A 2 14.342 -4.093 -2.108 1.00 0.00 N HETATM 11 CA HYP A 2 14.057 -5.280 -2.956 1.00 0.00 C HETATM 12 C HYP A 2 12.620 -5.787 -2.744 1.00 0.00 C HETATM 13 O HYP A 2 12.014 -6.329 -3.643 1.00 0.00 O HETATM 14 CB HYP A 2 15.074 -6.313 -2.480 1.00 0.00 C HETATM 15 CG HYP A 2 15.407 -5.922 -1.074 1.00 0.00 C HETATM 16 CD HYP A 2 15.253 -4.418 -1.001 1.00 0.00 C HETATM 17 OD1 HYP A 2 16.728 -6.332 -0.713 1.00 0.00 O HETATM 0 HD23 HYP A 2 16.213 -3.914 -1.114 1.00 0.00 H new HETATM 0 HD22 HYP A 2 14.840 -4.106 -0.041 1.00 0.00 H new HETATM 0 HG HYP A 2 14.742 -6.416 -0.366 1.00 0.00 H new HETATM 0 HD1 HYP A 2 16.914 -6.060 0.210 1.00 0.00 H new HETATM 0 HB3 HYP A 2 14.660 -7.320 -2.520 1.00 0.00 H new HETATM 0 HB2 HYP A 2 15.963 -6.309 -3.110 1.00 0.00 H new HETATM 0 HA HYP A 2 14.136 -5.063 -4.021 1.00 0.00 H new ATOM 25 N SER A 3 12.077 -5.616 -1.565 1.00 0.00 N ATOM 26 CA SER A 3 10.683 -6.091 -1.304 1.00 0.00 C ATOM 27 C SER A 3 9.940 -5.090 -0.409 1.00 0.00 C ATOM 28 O SER A 3 10.448 -4.029 -0.096 1.00 0.00 O ATOM 29 CB SER A 3 10.848 -7.435 -0.597 1.00 0.00 C ATOM 30 OG SER A 3 9.582 -8.075 -0.507 1.00 0.00 O ATOM 0 H SER A 3 12.538 -5.169 -0.772 1.00 0.00 H new ATOM 0 HA SER A 3 10.099 -6.186 -2.220 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.549 -8.064 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.265 -7.287 0.399 1.00 0.00 H new ATOM 0 HG SER A 3 9.683 -8.939 -0.055 1.00 0.00 H new ATOM 36 N PHE A 4 8.743 -5.422 0.009 1.00 0.00 N ATOM 37 CA PHE A 4 7.961 -4.495 0.888 1.00 0.00 C ATOM 38 C PHE A 4 7.529 -5.211 2.167 1.00 0.00 C ATOM 39 O PHE A 4 7.275 -6.396 2.151 1.00 0.00 O ATOM 40 CB PHE A 4 6.717 -4.119 0.081 1.00 0.00 C ATOM 41 CG PHE A 4 7.115 -3.433 -1.207 1.00 0.00 C ATOM 42 CD1 PHE A 4 7.948 -2.306 -1.185 1.00 0.00 C ATOM 43 CD2 PHE A 4 6.648 -3.931 -2.429 1.00 0.00 C ATOM 44 CE1 PHE A 4 8.308 -1.677 -2.383 1.00 0.00 C ATOM 45 CE2 PHE A 4 7.006 -3.301 -3.628 1.00 0.00 C ATOM 46 CZ PHE A 4 7.836 -2.175 -3.606 1.00 0.00 C ATOM 0 H PHE A 4 8.272 -6.297 -0.221 1.00 0.00 H new ATOM 0 HA PHE A 4 8.553 -3.626 1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.135 -5.013 -0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.079 -3.460 0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.312 -1.923 -0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.010 -4.803 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.949 -0.808 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.641 -3.685 -4.569 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.113 -1.690 -4.530 1.00 0.00 H new ATOM 56 N CYS A 5 7.442 -4.483 3.262 1.00 0.00 N ATOM 57 CA CYS A 5 7.003 -5.088 4.581 1.00 0.00 C ATOM 58 C CYS A 5 6.008 -6.236 4.347 1.00 0.00 C ATOM 59 O CYS A 5 6.240 -7.358 4.760 1.00 0.00 O ATOM 60 CB CYS A 5 6.312 -3.977 5.406 1.00 0.00 C ATOM 61 SG CYS A 5 6.410 -2.350 4.595 1.00 0.00 S ATOM 0 H CYS A 5 7.657 -3.487 3.304 1.00 0.00 H new ATOM 0 HA CYS A 5 7.870 -5.487 5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.266 -4.240 5.561 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.775 -3.918 6.391 1.00 0.00 H new ATOM 66 N LYS A 6 4.909 -5.966 3.677 1.00 0.00 N ATOM 67 CA LYS A 6 3.918 -7.053 3.411 1.00 0.00 C ATOM 68 C LYS A 6 3.935 -7.426 1.925 1.00 0.00 C ATOM 69 O LYS A 6 4.495 -8.440 1.543 1.00 0.00 O ATOM 70 CB LYS A 6 2.556 -6.471 3.821 1.00 0.00 C ATOM 71 CG LYS A 6 2.633 -5.924 5.254 1.00 0.00 C ATOM 72 CD LYS A 6 2.822 -7.076 6.248 1.00 0.00 C ATOM 73 CE LYS A 6 1.469 -7.739 6.542 1.00 0.00 C ATOM 74 NZ LYS A 6 1.567 -9.104 5.950 1.00 0.00 N ATOM 0 H LYS A 6 4.660 -5.048 3.308 1.00 0.00 H new ATOM 0 HA LYS A 6 4.142 -7.964 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.269 -5.676 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.787 -7.241 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.461 -5.220 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.722 -5.374 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.516 -7.811 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.262 -6.702 7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.279 -7.787 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.649 -7.175 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.641 -9.574 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.858 -9.030 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.271 -9.661 6.476 1.00 0.00 H new ATOM 88 N ALA A 7 3.335 -6.618 1.086 1.00 0.00 N ATOM 89 CA ALA A 7 3.308 -6.925 -0.381 1.00 0.00 C ATOM 90 C ALA A 7 2.614 -5.806 -1.164 1.00 0.00 C ATOM 91 O ALA A 7 2.205 -4.797 -0.603 1.00 0.00 O ATOM 92 CB ALA A 7 2.508 -8.230 -0.516 1.00 0.00 C ATOM 0 H ALA A 7 2.861 -5.756 1.353 1.00 0.00 H new ATOM 0 HA ALA A 7 4.317 -7.016 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.449 -8.513 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.005 -9.021 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.502 -8.082 -0.123 1.00 0.00 H new ATOM 98 N ASP A 8 2.464 -5.993 -2.449 1.00 0.00 N ATOM 99 CA ASP A 8 1.793 -4.984 -3.317 1.00 0.00 C ATOM 100 C ASP A 8 1.057 -5.714 -4.451 1.00 0.00 C ATOM 101 O ASP A 8 1.222 -6.908 -4.631 1.00 0.00 O ATOM 102 CB ASP A 8 2.914 -4.083 -3.855 1.00 0.00 C ATOM 103 CG ASP A 8 3.821 -4.871 -4.805 1.00 0.00 C ATOM 104 OD1 ASP A 8 4.562 -5.714 -4.323 1.00 0.00 O ATOM 105 OD2 ASP A 8 3.762 -4.616 -5.995 1.00 0.00 O ATOM 0 H ASP A 8 2.787 -6.824 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 8 1.053 -4.388 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.484 -3.229 -4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.501 -3.687 -3.026 1.00 0.00 H new ATOM 110 N GLU A 9 0.217 -5.023 -5.180 1.00 0.00 N ATOM 111 CA GLU A 9 -0.567 -5.675 -6.275 1.00 0.00 C ATOM 112 C GLU A 9 -1.346 -6.883 -5.721 1.00 0.00 C ATOM 113 O GLU A 9 -1.735 -7.777 -6.447 1.00 0.00 O ATOM 114 CB GLU A 9 0.461 -6.120 -7.321 1.00 0.00 C ATOM 115 CG GLU A 9 0.742 -4.966 -8.292 1.00 0.00 C ATOM 116 CD GLU A 9 0.017 -5.218 -9.612 1.00 0.00 C ATOM 117 OE1 GLU A 9 -1.169 -4.963 -9.674 1.00 0.00 O ATOM 118 OE2 GLU A 9 0.665 -5.653 -10.547 1.00 0.00 O ATOM 0 H GLU A 9 0.039 -4.026 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.300 -4.996 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.384 -6.428 -6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.087 -6.985 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.410 -4.023 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.814 -4.877 -8.466 1.00 0.00 H new ATOM 125 N LYS A 10 -1.582 -6.900 -4.432 1.00 0.00 N ATOM 126 CA LYS A 10 -2.337 -8.024 -3.815 1.00 0.00 C ATOM 127 C LYS A 10 -3.608 -7.466 -3.168 1.00 0.00 C ATOM 128 O LYS A 10 -3.615 -6.342 -2.695 1.00 0.00 O ATOM 129 CB LYS A 10 -1.397 -8.613 -2.758 1.00 0.00 C ATOM 130 CG LYS A 10 -0.744 -9.891 -3.305 1.00 0.00 C ATOM 131 CD LYS A 10 -1.456 -11.121 -2.726 1.00 0.00 C ATOM 132 CE LYS A 10 -1.615 -12.188 -3.820 1.00 0.00 C ATOM 133 NZ LYS A 10 -0.242 -12.722 -4.060 1.00 0.00 N ATOM 0 H LYS A 10 -1.280 -6.176 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.638 -8.784 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.630 -7.885 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.952 -8.837 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.802 -9.904 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.313 -9.913 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.884 -11.525 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.433 -10.838 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.293 -12.979 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.033 -11.758 -4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.039 -12.529 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.428 -12.261 -3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.235 -13.749 -3.893 1.00 0.00 H new HETATM 147 N HYP A 11 -4.642 -8.260 -3.181 1.00 0.00 N HETATM 148 CA HYP A 11 -5.936 -7.834 -2.600 1.00 0.00 C HETATM 149 C HYP A 11 -5.856 -7.690 -1.074 1.00 0.00 C HETATM 150 O HYP A 11 -5.170 -8.437 -0.395 1.00 0.00 O HETATM 151 CB HYP A 11 -6.896 -8.950 -3.001 1.00 0.00 C HETATM 152 CG HYP A 11 -6.027 -10.147 -3.220 1.00 0.00 C HETATM 153 CD HYP A 11 -4.711 -9.614 -3.731 1.00 0.00 C HETATM 154 OD1 HYP A 11 -6.612 -11.059 -4.150 1.00 0.00 O HETATM 0 HD23 HYP A 11 -4.680 -9.605 -4.821 1.00 0.00 H new HETATM 0 HD22 HYP A 11 -3.874 -10.225 -3.393 1.00 0.00 H new HETATM 0 HG HYP A 11 -5.897 -10.711 -2.296 1.00 0.00 H new HETATM 0 HD1 HYP A 11 -6.018 -11.829 -4.271 1.00 0.00 H new HETATM 0 HB3 HYP A 11 -7.634 -9.135 -2.221 1.00 0.00 H new HETATM 0 HB2 HYP A 11 -7.447 -8.691 -3.905 1.00 0.00 H new HETATM 0 HA HYP A 11 -6.250 -6.854 -2.959 1.00 0.00 H new ATOM 162 N CYS A 12 -6.567 -6.734 -0.546 1.00 0.00 N ATOM 163 CA CYS A 12 -6.590 -6.490 0.927 1.00 0.00 C ATOM 164 C CYS A 12 -7.756 -5.553 1.263 1.00 0.00 C ATOM 165 O CYS A 12 -8.551 -5.220 0.405 1.00 0.00 O ATOM 166 CB CYS A 12 -5.246 -5.827 1.268 1.00 0.00 C ATOM 167 SG CYS A 12 -4.821 -4.580 0.017 1.00 0.00 S ATOM 0 H CYS A 12 -7.149 -6.094 -1.087 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.725 -7.409 1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.302 -5.360 2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.462 -6.583 1.318 1.00 0.00 H new ATOM 172 N GLU A 13 -7.864 -5.123 2.494 1.00 0.00 N ATOM 173 CA GLU A 13 -8.983 -4.203 2.877 1.00 0.00 C ATOM 174 C GLU A 13 -8.418 -2.917 3.496 1.00 0.00 C ATOM 175 O GLU A 13 -8.705 -1.823 3.044 1.00 0.00 O ATOM 176 CB GLU A 13 -9.812 -4.993 3.898 1.00 0.00 C ATOM 177 CG GLU A 13 -11.262 -4.492 3.893 1.00 0.00 C ATOM 178 CD GLU A 13 -12.223 -5.681 3.910 1.00 0.00 C ATOM 179 OE1 GLU A 13 -12.195 -6.456 2.968 1.00 0.00 O ATOM 180 OE2 GLU A 13 -12.964 -5.807 4.863 1.00 0.00 O ATOM 0 H GLU A 13 -7.227 -5.368 3.252 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.587 -3.897 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.784 -6.056 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.383 -4.880 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.440 -3.857 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.442 -3.881 3.009 1.00 0.00 H new ATOM 187 N TYR A 14 -7.619 -3.033 4.519 1.00 0.00 N ATOM 188 CA TYR A 14 -7.045 -1.809 5.149 1.00 0.00 C ATOM 189 C TYR A 14 -6.076 -1.130 4.171 1.00 0.00 C ATOM 190 O TYR A 14 -5.193 -1.764 3.614 1.00 0.00 O ATOM 191 CB TYR A 14 -6.307 -2.304 6.397 1.00 0.00 C ATOM 192 CG TYR A 14 -7.228 -2.217 7.598 1.00 0.00 C ATOM 193 CD1 TYR A 14 -8.510 -2.784 7.539 1.00 0.00 C ATOM 194 CD2 TYR A 14 -6.804 -1.562 8.760 1.00 0.00 C ATOM 195 CE1 TYR A 14 -9.363 -2.696 8.640 1.00 0.00 C ATOM 196 CE2 TYR A 14 -7.660 -1.473 9.860 1.00 0.00 C ATOM 197 CZ TYR A 14 -8.940 -2.041 9.800 1.00 0.00 C ATOM 198 OH TYR A 14 -9.791 -1.946 10.883 1.00 0.00 O ATOM 0 H TYR A 14 -7.339 -3.916 4.945 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.808 -1.074 5.406 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.977 -3.333 6.253 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.414 -1.703 6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.837 -3.288 6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.817 -1.126 8.806 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.349 -3.134 8.596 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.336 -0.966 10.757 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.344 -1.462 11.609 1.00 0.00 H new ATOM 208 N HIS A 15 -6.234 0.151 3.944 1.00 0.00 N ATOM 209 CA HIS A 15 -5.328 0.863 2.991 1.00 0.00 C ATOM 210 C HIS A 15 -3.862 0.771 3.445 1.00 0.00 C ATOM 211 O HIS A 15 -2.973 0.597 2.632 1.00 0.00 O ATOM 212 CB HIS A 15 -5.789 2.322 2.973 1.00 0.00 C ATOM 213 CG HIS A 15 -6.770 2.509 1.850 1.00 0.00 C ATOM 214 ND1 HIS A 15 -8.138 2.411 2.038 1.00 0.00 N ATOM 215 CD2 HIS A 15 -6.591 2.772 0.513 1.00 0.00 C ATOM 216 CE1 HIS A 15 -8.722 2.609 0.843 1.00 0.00 C ATOM 217 NE2 HIS A 15 -7.826 2.836 -0.119 1.00 0.00 N ATOM 0 H HIS A 15 -6.951 0.734 4.377 1.00 0.00 H new ATOM 0 HA HIS A 15 -5.378 0.413 1.999 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.252 2.583 3.925 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.934 2.986 2.841 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -8.615 2.223 2.920 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.636 2.908 0.028 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.790 2.587 0.681 1.00 0.00 H new ATOM 225 N ALA A 16 -3.604 0.882 4.726 1.00 0.00 N ATOM 226 CA ALA A 16 -2.189 0.804 5.212 1.00 0.00 C ATOM 227 C ALA A 16 -1.786 -0.641 5.563 1.00 0.00 C ATOM 228 O ALA A 16 -0.840 -0.854 6.301 1.00 0.00 O ATOM 229 CB ALA A 16 -2.148 1.690 6.460 1.00 0.00 C ATOM 0 H ALA A 16 -4.306 1.022 5.452 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.488 1.132 4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.141 1.685 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.425 2.710 6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.849 1.307 7.201 1.00 0.00 H new ATOM 235 N ASP A 17 -2.475 -1.630 5.041 1.00 0.00 N ATOM 236 CA ASP A 17 -2.101 -3.047 5.353 1.00 0.00 C ATOM 237 C ASP A 17 -0.693 -3.349 4.820 1.00 0.00 C ATOM 238 O ASP A 17 0.080 -4.050 5.445 1.00 0.00 O ATOM 239 CB ASP A 17 -3.154 -3.914 4.644 1.00 0.00 C ATOM 240 CG ASP A 17 -3.329 -5.246 5.381 1.00 0.00 C ATOM 241 OD1 ASP A 17 -3.193 -5.264 6.592 1.00 0.00 O ATOM 242 OD2 ASP A 17 -3.615 -6.230 4.717 1.00 0.00 O ATOM 0 H ASP A 17 -3.274 -1.518 4.417 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.082 -3.242 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.106 -3.384 4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.850 -4.098 3.614 1.00 0.00 H new ATOM 247 N CYS A 18 -0.351 -2.815 3.678 1.00 0.00 N ATOM 248 CA CYS A 18 1.009 -3.054 3.099 1.00 0.00 C ATOM 249 C CYS A 18 1.847 -1.773 3.202 1.00 0.00 C ATOM 250 O CYS A 18 1.539 -0.877 3.964 1.00 0.00 O ATOM 251 CB CYS A 18 0.763 -3.414 1.630 1.00 0.00 C ATOM 252 SG CYS A 18 -0.668 -4.516 1.487 1.00 0.00 S ATOM 0 H CYS A 18 -0.958 -2.219 3.115 1.00 0.00 H new ATOM 0 HA CYS A 18 1.551 -3.842 3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.592 -2.507 1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.647 -3.898 1.214 1.00 0.00 H new ATOM 257 N CYS A 19 2.900 -1.668 2.434 1.00 0.00 N ATOM 258 CA CYS A 19 3.747 -0.435 2.491 1.00 0.00 C ATOM 259 C CYS A 19 3.304 0.566 1.419 1.00 0.00 C ATOM 260 O CYS A 19 3.990 1.523 1.130 1.00 0.00 O ATOM 261 CB CYS A 19 5.174 -0.907 2.224 1.00 0.00 C ATOM 262 SG CYS A 19 5.391 -2.590 2.866 1.00 0.00 S ATOM 0 H CYS A 19 3.211 -2.379 1.772 1.00 0.00 H new ATOM 0 HA CYS A 19 3.663 0.070 3.453 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.380 -0.886 1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.886 -0.232 2.699 1.00 0.00 H new ATOM 267 N ASN A 20 2.161 0.350 0.830 1.00 0.00 N ATOM 268 CA ASN A 20 1.645 1.283 -0.220 1.00 0.00 C ATOM 269 C ASN A 20 0.215 1.701 0.156 1.00 0.00 C ATOM 270 O ASN A 20 0.030 2.416 1.114 1.00 0.00 O ATOM 271 CB ASN A 20 1.701 0.494 -1.547 1.00 0.00 C ATOM 272 CG ASN A 20 1.349 -0.978 -1.300 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.195 -1.327 -1.186 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.307 -1.856 -1.183 1.00 0.00 N ATOM 0 H ASN A 20 1.552 -0.443 1.032 1.00 0.00 H new ATOM 0 HA ASN A 20 2.229 2.199 -0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.005 0.927 -2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.697 0.570 -1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.083 -2.833 -0.996 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.280 -1.565 -1.279 1.00 0.00 H new ATOM 281 N CYS A 21 -0.794 1.262 -0.558 1.00 0.00 N ATOM 282 CA CYS A 21 -2.188 1.653 -0.187 1.00 0.00 C ATOM 283 C CYS A 21 -3.207 0.684 -0.800 1.00 0.00 C ATOM 284 O CYS A 21 -3.256 0.497 -2.005 1.00 0.00 O ATOM 285 CB CYS A 21 -2.390 3.064 -0.750 1.00 0.00 C ATOM 286 SG CYS A 21 -3.361 4.043 0.430 1.00 0.00 S ATOM 0 H CYS A 21 -0.713 0.655 -1.374 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.333 1.624 0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.425 3.539 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.904 3.015 -1.710 1.00 0.00 H new ATOM 291 N CYS A 22 -4.024 0.076 0.023 1.00 0.00 N ATOM 292 CA CYS A 22 -5.064 -0.874 -0.501 1.00 0.00 C ATOM 293 C CYS A 22 -6.234 -0.065 -1.052 1.00 0.00 C ATOM 294 O CYS A 22 -7.173 0.225 -0.347 1.00 0.00 O ATOM 295 CB CYS A 22 -5.525 -1.708 0.700 1.00 0.00 C ATOM 296 SG CYS A 22 -6.322 -3.228 0.119 1.00 0.00 S ATOM 0 H CYS A 22 -4.019 0.194 1.036 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.677 -1.512 -1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.673 -1.952 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.221 -1.131 1.310 1.00 0.00 H new ATOM 301 N LEU A 23 -6.181 0.315 -2.301 1.00 0.00 N ATOM 302 CA LEU A 23 -7.292 1.134 -2.885 1.00 0.00 C ATOM 303 C LEU A 23 -8.563 0.292 -3.034 1.00 0.00 C ATOM 304 O LEU A 23 -9.194 -0.064 -2.057 1.00 0.00 O ATOM 305 CB LEU A 23 -6.748 1.633 -4.232 1.00 0.00 C ATOM 306 CG LEU A 23 -6.064 2.999 -4.046 1.00 0.00 C ATOM 307 CD1 LEU A 23 -4.911 2.877 -3.046 1.00 0.00 C ATOM 308 CD2 LEU A 23 -5.515 3.480 -5.390 1.00 0.00 C ATOM 0 H LEU A 23 -5.420 0.096 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.581 1.972 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.037 0.913 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.561 1.718 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.795 3.713 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.433 3.849 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.297 2.536 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.181 2.159 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.030 4.448 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.790 2.758 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.333 3.577 -6.103 1.00 0.00 H new ATOM 320 N SER A 24 -8.950 -0.023 -4.231 1.00 0.00 N ATOM 321 CA SER A 24 -10.185 -0.839 -4.428 1.00 0.00 C ATOM 322 C SER A 24 -9.934 -2.306 -4.022 1.00 0.00 C ATOM 323 O SER A 24 -10.096 -3.219 -4.809 1.00 0.00 O ATOM 324 CB SER A 24 -10.504 -0.730 -5.919 1.00 0.00 C ATOM 325 OG SER A 24 -10.522 0.644 -6.301 1.00 0.00 O ATOM 0 H SER A 24 -8.467 0.247 -5.088 1.00 0.00 H new ATOM 0 HA SER A 24 -11.013 -0.486 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.759 -1.271 -6.502 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.469 -1.190 -6.130 1.00 0.00 H new ATOM 0 HG SER A 24 -10.725 0.715 -7.257 1.00 0.00 H new ATOM 331 N GLY A 25 -9.544 -2.529 -2.790 1.00 0.00 N ATOM 332 CA GLY A 25 -9.292 -3.914 -2.301 1.00 0.00 C ATOM 333 C GLY A 25 -7.926 -4.439 -2.771 1.00 0.00 C ATOM 334 O GLY A 25 -7.665 -5.619 -2.675 1.00 0.00 O ATOM 0 H GLY A 25 -9.389 -1.798 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.333 -3.929 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.080 -4.576 -2.659 1.00 0.00 H new ATOM 338 N ILE A 26 -7.046 -3.594 -3.272 1.00 0.00 N ATOM 339 CA ILE A 26 -5.703 -4.090 -3.731 1.00 0.00 C ATOM 340 C ILE A 26 -4.599 -3.169 -3.207 1.00 0.00 C ATOM 341 O ILE A 26 -4.740 -1.959 -3.216 1.00 0.00 O ATOM 342 CB ILE A 26 -5.714 -4.053 -5.270 1.00 0.00 C ATOM 343 CG1 ILE A 26 -7.136 -4.246 -5.819 1.00 0.00 C ATOM 344 CG2 ILE A 26 -4.805 -5.166 -5.815 1.00 0.00 C ATOM 345 CD1 ILE A 26 -7.566 -5.706 -5.667 1.00 0.00 C ATOM 0 H ILE A 26 -7.199 -2.592 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.514 -5.097 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.349 -3.077 -5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.831 -3.597 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.171 -3.956 -6.869 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.812 -5.141 -6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.787 -5.014 -5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.170 -6.134 -5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.575 -5.831 -6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.880 -6.347 -6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.550 -5.982 -4.613 1.00 0.00 H new ATOM 357 N CYS A 27 -3.498 -3.728 -2.766 1.00 0.00 N ATOM 358 CA CYS A 27 -2.382 -2.881 -2.247 1.00 0.00 C ATOM 359 C CYS A 27 -1.525 -2.378 -3.415 1.00 0.00 C ATOM 360 O CYS A 27 -0.556 -3.010 -3.794 1.00 0.00 O ATOM 361 CB CYS A 27 -1.561 -3.791 -1.320 1.00 0.00 C ATOM 362 SG CYS A 27 -2.002 -3.451 0.407 1.00 0.00 S ATOM 0 H CYS A 27 -3.325 -4.733 -2.744 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.747 -2.004 -1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.753 -4.838 -1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.496 -3.620 -1.475 1.00 0.00 H new ATOM 367 N ALA A 28 -1.877 -1.255 -3.985 1.00 0.00 N ATOM 368 CA ALA A 28 -1.084 -0.709 -5.130 1.00 0.00 C ATOM 369 C ALA A 28 -0.263 0.512 -4.678 1.00 0.00 C ATOM 370 O ALA A 28 -0.570 1.123 -3.668 1.00 0.00 O ATOM 371 CB ALA A 28 -2.123 -0.301 -6.175 1.00 0.00 C ATOM 0 H ALA A 28 -2.680 -0.691 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.375 -1.438 -5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.618 0.111 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.705 -1.174 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.788 0.452 -5.752 1.00 0.00 H new HETATM 377 N HYP A 29 0.757 0.830 -5.440 1.00 0.00 N HETATM 378 CA HYP A 29 1.628 1.992 -5.116 1.00 0.00 C HETATM 379 C HYP A 29 0.882 3.312 -5.373 1.00 0.00 C HETATM 380 O HYP A 29 1.113 3.987 -6.358 1.00 0.00 O HETATM 381 CB HYP A 29 2.810 1.826 -6.069 1.00 0.00 C HETATM 382 CG HYP A 29 2.281 1.028 -7.227 1.00 0.00 C HETATM 383 CD HYP A 29 1.197 0.141 -6.662 1.00 0.00 C HETATM 384 OD1 HYP A 29 1.785 1.867 -8.281 1.00 0.00 O HETATM 0 HD23 HYP A 29 1.576 -0.857 -6.441 1.00 0.00 H new HETATM 0 HD22 HYP A 29 0.375 0.020 -7.368 1.00 0.00 H new HETATM 0 HG HYP A 29 3.075 0.438 -7.685 1.00 0.00 H new HETATM 0 HD1 HYP A 29 1.466 2.713 -7.903 1.00 0.00 H new HETATM 0 HB3 HYP A 29 3.187 2.794 -6.399 1.00 0.00 H new HETATM 0 HB2 HYP A 29 3.638 1.310 -5.582 1.00 0.00 H new HETATM 0 HA HYP A 29 1.935 2.024 -4.071 1.00 0.00 H new ATOM 392 N SER A 30 -0.007 3.680 -4.489 1.00 0.00 N ATOM 393 CA SER A 30 -0.771 4.954 -4.668 1.00 0.00 C ATOM 394 C SER A 30 0.178 6.150 -4.543 1.00 0.00 C ATOM 395 O SER A 30 1.138 6.113 -3.789 1.00 0.00 O ATOM 396 CB SER A 30 -1.802 4.970 -3.538 1.00 0.00 C ATOM 397 OG SER A 30 -3.011 5.561 -4.004 1.00 0.00 O ATOM 0 H SER A 30 -0.239 3.153 -3.647 1.00 0.00 H new ATOM 0 HA SER A 30 -1.246 5.017 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.992 3.954 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.415 5.531 -2.687 1.00 0.00 H new ATOM 0 HG SER A 30 -3.575 5.800 -3.239 1.00 0.00 H new ATOM 403 N THR A 31 -0.088 7.204 -5.268 1.00 0.00 N ATOM 404 CA THR A 31 0.786 8.411 -5.201 1.00 0.00 C ATOM 405 C THR A 31 -0.074 9.669 -5.037 1.00 0.00 C ATOM 406 O THR A 31 -0.343 10.380 -5.989 1.00 0.00 O ATOM 407 CB THR A 31 1.557 8.440 -6.534 1.00 0.00 C ATOM 408 OG1 THR A 31 0.768 7.841 -7.565 1.00 0.00 O ATOM 409 CG2 THR A 31 2.879 7.682 -6.393 1.00 0.00 C ATOM 0 H THR A 31 -0.879 7.281 -5.908 1.00 0.00 H new ATOM 0 HA THR A 31 1.469 8.379 -4.352 1.00 0.00 H new ATOM 0 HB THR A 31 1.767 9.477 -6.797 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.263 7.864 -8.411 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.416 7.708 -7.341 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.486 8.150 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.677 6.646 -6.119 1.00 0.00 H new ATOM 417 N ASN A 32 -0.514 9.951 -3.835 1.00 0.00 N ATOM 418 CA ASN A 32 -1.359 11.164 -3.613 1.00 0.00 C ATOM 419 C ASN A 32 -1.173 11.687 -2.182 1.00 0.00 C ATOM 420 O ASN A 32 -0.566 11.034 -1.347 1.00 0.00 O ATOM 421 CB ASN A 32 -2.797 10.687 -3.820 1.00 0.00 C ATOM 422 CG ASN A 32 -3.620 11.824 -4.426 1.00 0.00 C ATOM 423 OD1 ASN A 32 -3.537 12.951 -3.976 1.00 0.00 O ATOM 424 ND2 ASN A 32 -4.423 11.580 -5.423 1.00 0.00 N ATOM 0 H ASN A 32 -0.325 9.395 -3.001 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.095 11.978 -4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.814 9.819 -4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.230 10.375 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.981 12.334 -5.825 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.494 10.635 -5.802 1.00 0.00 H new ATOM 431 N TRP A 33 -1.699 12.855 -1.897 1.00 0.00 N ATOM 432 CA TRP A 33 -1.562 13.445 -0.522 1.00 0.00 C ATOM 433 C TRP A 33 -2.843 14.203 -0.136 1.00 0.00 C ATOM 434 O TRP A 33 -3.519 13.858 0.812 1.00 0.00 O ATOM 435 CB TRP A 33 -0.359 14.432 -0.565 1.00 0.00 C ATOM 436 CG TRP A 33 0.286 14.439 -1.921 1.00 0.00 C ATOM 437 CD1 TRP A 33 -0.029 15.280 -2.933 1.00 0.00 C ATOM 438 CD2 TRP A 33 1.326 13.565 -2.428 1.00 0.00 C ATOM 439 NE1 TRP A 33 0.759 14.973 -4.026 1.00 0.00 N ATOM 440 CE2 TRP A 33 1.618 13.927 -3.759 1.00 0.00 C ATOM 441 CE3 TRP A 33 2.040 12.508 -1.853 1.00 0.00 C ATOM 442 CZ2 TRP A 33 2.586 13.258 -4.503 1.00 0.00 C ATOM 443 CZ3 TRP A 33 3.014 11.830 -2.593 1.00 0.00 C ATOM 444 CH2 TRP A 33 3.293 12.204 -3.915 1.00 0.00 C ATOM 0 H TRP A 33 -2.220 13.429 -2.559 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.400 12.660 0.217 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.700 15.437 -0.316 1.00 0.00 H new ATOM 0 HB3 TRP A 33 0.375 14.148 0.189 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.773 16.062 -2.893 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.711 15.460 -4.921 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.838 12.214 -0.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.789 13.550 -5.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.556 11.012 -2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 33 4.051 11.680 -4.478 1.00 0.00 H new ATOM 455 N ILE A 34 -3.170 15.247 -0.860 1.00 0.00 N ATOM 456 CA ILE A 34 -4.392 16.048 -0.529 1.00 0.00 C ATOM 457 C ILE A 34 -5.560 15.711 -1.479 1.00 0.00 C ATOM 458 O ILE A 34 -6.718 15.842 -1.115 1.00 0.00 O ATOM 459 CB ILE A 34 -3.963 17.513 -0.701 1.00 0.00 C ATOM 460 CG1 ILE A 34 -2.537 17.746 -0.143 1.00 0.00 C ATOM 461 CG2 ILE A 34 -4.957 18.427 0.026 1.00 0.00 C ATOM 462 CD1 ILE A 34 -2.170 19.220 -0.321 1.00 0.00 C ATOM 0 H ILE A 34 -2.643 15.580 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.751 15.835 0.478 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.955 17.746 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.495 17.472 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.820 17.113 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.652 19.466 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.953 18.289 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.973 18.176 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.167 19.395 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.197 19.476 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.883 19.841 0.221 1.00 0.00 H new ATOM 474 N LEU A 35 -5.273 15.282 -2.682 1.00 0.00 N ATOM 475 CA LEU A 35 -6.374 14.936 -3.636 1.00 0.00 C ATOM 476 C LEU A 35 -7.083 13.645 -3.181 1.00 0.00 C ATOM 477 O LEU A 35 -6.692 13.034 -2.201 1.00 0.00 O ATOM 478 CB LEU A 35 -5.681 14.735 -4.987 1.00 0.00 C ATOM 479 CG LEU A 35 -5.945 15.953 -5.872 1.00 0.00 C ATOM 480 CD1 LEU A 35 -4.876 17.016 -5.626 1.00 0.00 C ATOM 481 CD2 LEU A 35 -5.899 15.537 -7.335 1.00 0.00 C ATOM 0 H LEU A 35 -4.328 15.156 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.139 15.711 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.609 14.600 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.054 13.832 -5.470 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.927 16.360 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.070 17.881 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.900 17.320 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.894 16.606 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.087 16.405 -7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.916 15.127 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.661 14.780 -7.522 1.00 0.00 H new ATOM 493 N PRO A 36 -8.120 13.274 -3.906 1.00 0.00 N ATOM 494 CA PRO A 36 -8.895 12.048 -3.561 1.00 0.00 C ATOM 495 C PRO A 36 -8.061 10.787 -3.806 1.00 0.00 C ATOM 496 O PRO A 36 -7.935 10.316 -4.925 1.00 0.00 O ATOM 497 CB PRO A 36 -10.101 12.115 -4.497 1.00 0.00 C ATOM 498 CG PRO A 36 -9.651 12.960 -5.648 1.00 0.00 C ATOM 499 CD PRO A 36 -8.660 13.946 -5.096 1.00 0.00 C ATOM 0 HA PRO A 36 -9.183 12.003 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.398 11.120 -4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.964 12.555 -3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.195 12.346 -6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.496 13.475 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.875 14.171 -5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.138 14.891 -4.839 1.00 0.00 H new ATOM 507 N GLY A 37 -7.510 10.231 -2.761 1.00 0.00 N ATOM 508 CA GLY A 37 -6.688 8.995 -2.899 1.00 0.00 C ATOM 509 C GLY A 37 -6.971 8.074 -1.711 1.00 0.00 C ATOM 510 O GLY A 37 -8.056 7.537 -1.584 1.00 0.00 O ATOM 0 H GLY A 37 -7.595 10.584 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.925 8.487 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.629 9.249 -2.934 1.00 0.00 H new ATOM 514 N CYS A 38 -6.018 7.901 -0.833 1.00 0.00 N ATOM 515 CA CYS A 38 -6.241 7.028 0.359 1.00 0.00 C ATOM 516 C CYS A 38 -5.339 7.465 1.533 1.00 0.00 C ATOM 517 O CYS A 38 -5.331 6.777 2.538 1.00 0.00 O ATOM 518 CB CYS A 38 -5.895 5.606 -0.096 1.00 0.00 C ATOM 519 SG CYS A 38 -4.179 5.522 -0.678 1.00 0.00 S ATOM 520 OXT CYS A 38 -4.696 8.496 1.418 1.00 0.00 O ATOM 0 H CYS A 38 -5.093 8.327 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.269 7.093 0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.039 4.909 0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.571 5.299 -0.894 1.00 0.00 H new TER 525 CYS A 38