USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=10 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+ 166:sc= 0.106 (180deg=-0.956) USER MOD Single : A 2 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -28:sc= 0.0171 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -8.98! C(o=-9!,f=-9.3!) USER MOD Single : A 20 ASN : amide:sc= -0.95 K(o=-0.95,f=-1.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00799 USER MOD Single : A 29 HYP OD1 : rot -41:sc= 0.688 USER MOD Single : A 30 SER OG : rot 150:sc= -2.44! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 32 ASN : amide:sc= 0.0168 K(o=0.017,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.889 -5.259 -6.089 1.00 0.00 N ATOM 2 CA GLY A 1 6.877 -6.334 -5.789 1.00 0.00 C ATOM 3 C GLY A 1 6.449 -7.069 -4.507 1.00 0.00 C ATOM 4 O GLY A 1 6.034 -6.441 -3.550 1.00 0.00 O ATOM 0 H1 GLY A 1 6.285 -4.613 -6.802 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.014 -5.684 -6.455 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.679 -4.728 -5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.935 -7.034 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.871 -5.906 -5.663 1.00 0.00 H new HETATM 10 N HYP A 2 6.559 -8.384 -4.524 1.00 0.00 N HETATM 11 CA HYP A 2 6.162 -9.199 -3.339 1.00 0.00 C HETATM 12 C HYP A 2 7.123 -8.990 -2.155 1.00 0.00 C HETATM 13 O HYP A 2 6.774 -9.270 -1.025 1.00 0.00 O HETATM 14 CB HYP A 2 6.220 -10.635 -3.857 1.00 0.00 C HETATM 15 CG HYP A 2 7.180 -10.601 -5.006 1.00 0.00 C HETATM 16 CD HYP A 2 7.055 -9.225 -5.618 1.00 0.00 C HETATM 17 OD1 HYP A 2 6.884 -11.617 -5.965 1.00 0.00 O HETATM 0 HD23 HYP A 2 6.366 -9.227 -6.462 1.00 0.00 H new HETATM 0 HD22 HYP A 2 8.015 -8.867 -5.991 1.00 0.00 H new HETATM 0 HG HYP A 2 8.198 -10.794 -4.668 1.00 0.00 H new HETATM 0 HD1 HYP A 2 7.527 -11.567 -6.703 1.00 0.00 H new HETATM 0 HB3 HYP A 2 6.560 -11.320 -3.080 1.00 0.00 H new HETATM 0 HB2 HYP A 2 5.236 -10.978 -4.176 1.00 0.00 H new HETATM 0 HA HYP A 2 5.180 -8.926 -2.954 1.00 0.00 H new ATOM 25 N SER A 3 8.320 -8.499 -2.392 1.00 0.00 N ATOM 26 CA SER A 3 9.279 -8.275 -1.260 1.00 0.00 C ATOM 27 C SER A 3 8.783 -7.148 -0.331 1.00 0.00 C ATOM 28 O SER A 3 9.328 -6.943 0.739 1.00 0.00 O ATOM 29 CB SER A 3 10.603 -7.881 -1.928 1.00 0.00 C ATOM 30 OG SER A 3 11.654 -7.930 -0.962 1.00 0.00 O ATOM 0 H SER A 3 8.672 -8.245 -3.315 1.00 0.00 H new ATOM 0 HA SER A 3 9.383 -9.164 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.822 -8.557 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.527 -6.878 -2.348 1.00 0.00 H new ATOM 0 HG SER A 3 11.288 -7.750 -0.071 1.00 0.00 H new ATOM 36 N PHE A 4 7.765 -6.419 -0.729 1.00 0.00 N ATOM 37 CA PHE A 4 7.254 -5.309 0.132 1.00 0.00 C ATOM 38 C PHE A 4 6.665 -5.855 1.435 1.00 0.00 C ATOM 39 O PHE A 4 6.148 -6.952 1.478 1.00 0.00 O ATOM 40 CB PHE A 4 6.163 -4.616 -0.697 1.00 0.00 C ATOM 41 CG PHE A 4 6.717 -3.369 -1.355 1.00 0.00 C ATOM 42 CD1 PHE A 4 8.093 -3.241 -1.588 1.00 0.00 C ATOM 43 CD2 PHE A 4 5.850 -2.342 -1.738 1.00 0.00 C ATOM 44 CE1 PHE A 4 8.595 -2.085 -2.189 1.00 0.00 C ATOM 45 CE2 PHE A 4 6.357 -1.186 -2.340 1.00 0.00 C ATOM 46 CZ PHE A 4 7.727 -1.060 -2.570 1.00 0.00 C ATOM 0 H PHE A 4 7.269 -6.546 -1.611 1.00 0.00 H new ATOM 0 HA PHE A 4 8.053 -4.622 0.412 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.785 -5.299 -1.457 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.321 -4.354 -0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.765 -4.037 -1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.788 -2.441 -1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.657 -1.984 -2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.687 -0.389 -2.627 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.116 -0.170 -3.042 1.00 0.00 H new ATOM 56 N CYS A 5 6.759 -5.076 2.487 1.00 0.00 N ATOM 57 CA CYS A 5 6.228 -5.482 3.843 1.00 0.00 C ATOM 58 C CYS A 5 5.062 -6.481 3.733 1.00 0.00 C ATOM 59 O CYS A 5 5.135 -7.576 4.256 1.00 0.00 O ATOM 60 CB CYS A 5 5.733 -4.201 4.555 1.00 0.00 C ATOM 61 SG CYS A 5 6.228 -2.685 3.676 1.00 0.00 S ATOM 0 H CYS A 5 7.191 -4.152 2.469 1.00 0.00 H new ATOM 0 HA CYS A 5 7.025 -5.973 4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.647 -4.231 4.638 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.130 -4.176 5.570 1.00 0.00 H new ATOM 66 N LYS A 6 3.984 -6.112 3.074 1.00 0.00 N ATOM 67 CA LYS A 6 2.829 -7.055 2.964 1.00 0.00 C ATOM 68 C LYS A 6 2.767 -7.690 1.571 1.00 0.00 C ATOM 69 O LYS A 6 2.952 -8.888 1.419 1.00 0.00 O ATOM 70 CB LYS A 6 1.584 -6.200 3.234 1.00 0.00 C ATOM 71 CG LYS A 6 1.743 -5.466 4.575 1.00 0.00 C ATOM 72 CD LYS A 6 1.997 -6.473 5.712 1.00 0.00 C ATOM 73 CE LYS A 6 0.723 -6.648 6.547 1.00 0.00 C ATOM 74 NZ LYS A 6 1.145 -7.370 7.784 1.00 0.00 N ATOM 0 H LYS A 6 3.858 -5.210 2.615 1.00 0.00 H new ATOM 0 HA LYS A 6 2.914 -7.882 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.444 -5.480 2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.695 -6.831 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.571 -4.760 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.845 -4.886 4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.306 -7.433 5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.812 -6.122 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.279 -5.683 6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.029 -7.216 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.319 -7.520 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.557 -8.290 7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.854 -6.804 8.292 1.00 0.00 H new ATOM 88 N ALA A 7 2.497 -6.912 0.552 1.00 0.00 N ATOM 89 CA ALA A 7 2.412 -7.470 -0.841 1.00 0.00 C ATOM 90 C ALA A 7 2.094 -6.353 -1.844 1.00 0.00 C ATOM 91 O ALA A 7 1.805 -5.233 -1.469 1.00 0.00 O ATOM 92 CB ALA A 7 1.262 -8.489 -0.808 1.00 0.00 C ATOM 0 H ALA A 7 2.330 -5.908 0.622 1.00 0.00 H new ATOM 0 HA ALA A 7 3.353 -7.926 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.144 -8.936 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.488 -9.269 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.338 -7.985 -0.525 1.00 0.00 H new ATOM 98 N ASP A 8 2.131 -6.664 -3.113 1.00 0.00 N ATOM 99 CA ASP A 8 1.816 -5.656 -4.167 1.00 0.00 C ATOM 100 C ASP A 8 0.895 -6.285 -5.200 1.00 0.00 C ATOM 101 O ASP A 8 0.914 -7.487 -5.399 1.00 0.00 O ATOM 102 CB ASP A 8 3.160 -5.294 -4.809 1.00 0.00 C ATOM 103 CG ASP A 8 3.508 -3.835 -4.526 1.00 0.00 C ATOM 104 OD1 ASP A 8 2.616 -3.005 -4.547 1.00 0.00 O ATOM 105 OD2 ASP A 8 4.677 -3.567 -4.309 1.00 0.00 O ATOM 0 H ASP A 8 2.370 -7.589 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 8 1.318 -4.775 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.943 -5.944 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.113 -5.461 -5.885 1.00 0.00 H new ATOM 110 N GLU A 9 0.072 -5.489 -5.845 1.00 0.00 N ATOM 111 CA GLU A 9 -0.889 -6.033 -6.856 1.00 0.00 C ATOM 112 C GLU A 9 -1.655 -7.232 -6.268 1.00 0.00 C ATOM 113 O GLU A 9 -2.193 -8.060 -6.985 1.00 0.00 O ATOM 114 CB GLU A 9 -0.039 -6.453 -8.056 1.00 0.00 C ATOM 115 CG GLU A 9 0.218 -5.233 -8.954 1.00 0.00 C ATOM 116 CD GLU A 9 1.694 -5.177 -9.341 1.00 0.00 C ATOM 117 OE1 GLU A 9 2.510 -4.965 -8.463 1.00 0.00 O ATOM 118 OE2 GLU A 9 1.986 -5.332 -10.514 1.00 0.00 O ATOM 0 H GLU A 9 0.026 -4.479 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.637 -5.296 -7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.907 -6.873 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.549 -7.233 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.400 -5.293 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.065 -4.319 -8.432 1.00 0.00 H new ATOM 125 N LYS A 10 -1.726 -7.304 -4.966 1.00 0.00 N ATOM 126 CA LYS A 10 -2.466 -8.406 -4.301 1.00 0.00 C ATOM 127 C LYS A 10 -3.615 -7.786 -3.509 1.00 0.00 C ATOM 128 O LYS A 10 -3.458 -6.717 -2.937 1.00 0.00 O ATOM 129 CB LYS A 10 -1.453 -9.081 -3.368 1.00 0.00 C ATOM 130 CG LYS A 10 -0.959 -10.393 -3.994 1.00 0.00 C ATOM 131 CD LYS A 10 -1.336 -11.569 -3.083 1.00 0.00 C ATOM 132 CE LYS A 10 -0.695 -12.862 -3.612 1.00 0.00 C ATOM 133 NZ LYS A 10 -0.474 -13.729 -2.412 1.00 0.00 N ATOM 0 H LYS A 10 -1.295 -6.634 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.883 -9.133 -4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.610 -8.414 -3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.913 -9.280 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.402 -10.527 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.122 -10.358 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.999 -11.375 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.420 -11.679 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.346 -13.354 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.246 -12.652 -4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.039 -14.626 -2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.156 -13.242 -1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.386 -13.922 -1.950 1.00 0.00 H new HETATM 147 N HYP A 11 -4.740 -8.445 -3.523 1.00 0.00 N HETATM 148 CA HYP A 11 -5.929 -7.919 -2.815 1.00 0.00 C HETATM 149 C HYP A 11 -5.714 -7.847 -1.297 1.00 0.00 C HETATM 150 O HYP A 11 -4.914 -8.569 -0.724 1.00 0.00 O HETATM 151 CB HYP A 11 -7.033 -8.902 -3.192 1.00 0.00 C HETATM 152 CG HYP A 11 -6.321 -10.159 -3.558 1.00 0.00 C HETATM 153 CD HYP A 11 -5.019 -9.722 -4.177 1.00 0.00 C HETATM 154 OD1 HYP A 11 -7.086 -10.949 -4.462 1.00 0.00 O HETATM 0 HD23 HYP A 11 -5.107 -9.608 -5.258 1.00 0.00 H new HETATM 0 HD22 HYP A 11 -4.226 -10.447 -3.996 1.00 0.00 H new HETATM 0 HG HYP A 11 -6.156 -10.790 -2.685 1.00 0.00 H new HETATM 0 HD1 HYP A 11 -6.590 -11.765 -4.683 1.00 0.00 H new HETATM 0 HB3 HYP A 11 -7.718 -9.064 -2.360 1.00 0.00 H new HETATM 0 HB2 HYP A 11 -7.627 -8.528 -4.026 1.00 0.00 H new HETATM 0 HA HYP A 11 -6.165 -6.893 -3.099 1.00 0.00 H new ATOM 162 N CYS A 12 -6.436 -6.967 -0.659 1.00 0.00 N ATOM 163 CA CYS A 12 -6.332 -6.777 0.816 1.00 0.00 C ATOM 164 C CYS A 12 -7.595 -6.056 1.308 1.00 0.00 C ATOM 165 O CYS A 12 -8.608 -6.083 0.637 1.00 0.00 O ATOM 166 CB CYS A 12 -5.091 -5.907 1.015 1.00 0.00 C ATOM 167 SG CYS A 12 -5.316 -4.305 0.193 1.00 0.00 S ATOM 0 H CYS A 12 -7.113 -6.354 -1.113 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.249 -7.713 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.909 -5.756 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.214 -6.412 0.610 1.00 0.00 H new ATOM 172 N GLU A 13 -7.552 -5.411 2.452 1.00 0.00 N ATOM 173 CA GLU A 13 -8.773 -4.699 2.942 1.00 0.00 C ATOM 174 C GLU A 13 -8.425 -3.285 3.440 1.00 0.00 C ATOM 175 O GLU A 13 -8.831 -2.305 2.856 1.00 0.00 O ATOM 176 CB GLU A 13 -9.312 -5.561 4.084 1.00 0.00 C ATOM 177 CG GLU A 13 -9.676 -6.959 3.560 1.00 0.00 C ATOM 178 CD GLU A 13 -9.401 -7.997 4.642 1.00 0.00 C ATOM 179 OE1 GLU A 13 -8.304 -8.009 5.167 1.00 0.00 O ATOM 180 OE2 GLU A 13 -10.293 -8.766 4.935 1.00 0.00 O ATOM 0 H GLU A 13 -6.735 -5.348 3.059 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.509 -4.570 2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.565 -5.643 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.190 -5.088 4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.727 -6.988 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.094 -7.187 2.667 1.00 0.00 H new ATOM 187 N TYR A 14 -7.689 -3.167 4.513 1.00 0.00 N ATOM 188 CA TYR A 14 -7.350 -1.798 5.030 1.00 0.00 C ATOM 189 C TYR A 14 -6.112 -1.228 4.312 1.00 0.00 C ATOM 190 O TYR A 14 -5.285 -1.960 3.802 1.00 0.00 O ATOM 191 CB TYR A 14 -7.085 -1.983 6.529 1.00 0.00 C ATOM 192 CG TYR A 14 -8.385 -1.816 7.283 1.00 0.00 C ATOM 193 CD1 TYR A 14 -9.361 -2.819 7.229 1.00 0.00 C ATOM 194 CD2 TYR A 14 -8.619 -0.656 8.034 1.00 0.00 C ATOM 195 CE1 TYR A 14 -10.569 -2.663 7.922 1.00 0.00 C ATOM 196 CE2 TYR A 14 -9.825 -0.502 8.727 1.00 0.00 C ATOM 197 CZ TYR A 14 -10.800 -1.503 8.673 1.00 0.00 C ATOM 198 OH TYR A 14 -11.994 -1.349 9.353 1.00 0.00 O ATOM 0 H TYR A 14 -7.309 -3.945 5.052 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.156 -1.087 4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.664 -2.971 6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.353 -1.253 6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.182 -3.714 6.652 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.868 0.119 8.078 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.321 -3.436 7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.003 0.393 9.305 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.993 -0.490 9.825 1.00 0.00 H new ATOM 208 N HIS A 15 -5.991 0.075 4.265 1.00 0.00 N ATOM 209 CA HIS A 15 -4.818 0.699 3.570 1.00 0.00 C ATOM 210 C HIS A 15 -3.537 0.556 4.405 1.00 0.00 C ATOM 211 O HIS A 15 -2.449 0.471 3.864 1.00 0.00 O ATOM 212 CB HIS A 15 -5.181 2.179 3.395 1.00 0.00 C ATOM 213 CG HIS A 15 -6.108 2.329 2.215 1.00 0.00 C ATOM 214 ND1 HIS A 15 -7.479 2.191 2.334 1.00 0.00 N ATOM 215 CD2 HIS A 15 -5.876 2.602 0.885 1.00 0.00 C ATOM 216 CE1 HIS A 15 -8.018 2.374 1.115 1.00 0.00 C ATOM 217 NE2 HIS A 15 -7.085 2.630 0.195 1.00 0.00 N ATOM 0 H HIS A 15 -6.651 0.735 4.676 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.620 0.212 2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.660 2.557 4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.279 2.771 3.241 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.990 1.987 3.193 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.904 2.769 0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.076 2.320 0.906 1.00 0.00 H new ATOM 225 N ALA A 16 -3.653 0.544 5.712 1.00 0.00 N ATOM 226 CA ALA A 16 -2.443 0.429 6.588 1.00 0.00 C ATOM 227 C ALA A 16 -1.684 -0.891 6.363 1.00 0.00 C ATOM 228 O ALA A 16 -0.492 -0.970 6.608 1.00 0.00 O ATOM 229 CB ALA A 16 -2.987 0.483 8.014 1.00 0.00 C ATOM 0 H ALA A 16 -4.539 0.609 6.212 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.728 1.223 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.162 0.405 8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.509 1.427 8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.679 -0.344 8.171 1.00 0.00 H new ATOM 235 N ASP A 17 -2.346 -1.928 5.912 1.00 0.00 N ATOM 236 CA ASP A 17 -1.641 -3.229 5.695 1.00 0.00 C ATOM 237 C ASP A 17 -0.904 -3.227 4.352 1.00 0.00 C ATOM 238 O ASP A 17 -1.124 -4.072 3.508 1.00 0.00 O ATOM 239 CB ASP A 17 -2.749 -4.290 5.712 1.00 0.00 C ATOM 240 CG ASP A 17 -2.192 -5.607 6.254 1.00 0.00 C ATOM 241 OD1 ASP A 17 -1.876 -5.662 7.430 1.00 0.00 O ATOM 242 OD2 ASP A 17 -2.082 -6.544 5.483 1.00 0.00 O ATOM 0 H ASP A 17 -3.341 -1.930 5.685 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.886 -3.419 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.580 -3.953 6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.141 -4.436 4.706 1.00 0.00 H new ATOM 247 N CYS A 18 -0.022 -2.282 4.150 1.00 0.00 N ATOM 248 CA CYS A 18 0.735 -2.223 2.863 1.00 0.00 C ATOM 249 C CYS A 18 1.879 -1.213 2.970 1.00 0.00 C ATOM 250 O CYS A 18 1.936 -0.431 3.895 1.00 0.00 O ATOM 251 CB CYS A 18 -0.298 -1.759 1.828 1.00 0.00 C ATOM 252 SG CYS A 18 0.105 -2.471 0.212 1.00 0.00 S ATOM 0 H CYS A 18 0.207 -1.548 4.821 1.00 0.00 H new ATOM 0 HA CYS A 18 1.183 -3.180 2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.298 -2.066 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.304 -0.671 1.767 1.00 0.00 H new ATOM 257 N CYS A 19 2.794 -1.223 2.031 1.00 0.00 N ATOM 258 CA CYS A 19 3.936 -0.249 2.091 1.00 0.00 C ATOM 259 C CYS A 19 3.610 1.040 1.321 1.00 0.00 C ATOM 260 O CYS A 19 4.443 1.912 1.193 1.00 0.00 O ATOM 261 CB CYS A 19 5.126 -0.965 1.446 1.00 0.00 C ATOM 262 SG CYS A 19 5.148 -2.701 1.972 1.00 0.00 S ATOM 0 H CYS A 19 2.803 -1.856 1.231 1.00 0.00 H new ATOM 0 HA CYS A 19 4.145 0.047 3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.055 -0.904 0.360 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.057 -0.476 1.733 1.00 0.00 H new ATOM 267 N ASN A 20 2.401 1.167 0.814 1.00 0.00 N ATOM 268 CA ASN A 20 2.016 2.405 0.056 1.00 0.00 C ATOM 269 C ASN A 20 0.542 2.729 0.344 1.00 0.00 C ATOM 270 O ASN A 20 0.237 3.564 1.171 1.00 0.00 O ATOM 271 CB ASN A 20 2.237 2.116 -1.453 1.00 0.00 C ATOM 272 CG ASN A 20 3.239 0.974 -1.656 1.00 0.00 C ATOM 273 OD1 ASN A 20 4.422 1.205 -1.753 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.812 -0.255 -1.728 1.00 0.00 N ATOM 0 H ASN A 20 1.665 0.465 0.893 1.00 0.00 H new ATOM 0 HA ASN A 20 2.618 3.263 0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.287 1.857 -1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.601 3.016 -1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.475 -1.018 -1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.815 -0.454 -1.647 1.00 0.00 H new ATOM 281 N CYS A 21 -0.375 2.067 -0.316 1.00 0.00 N ATOM 282 CA CYS A 21 -1.827 2.335 -0.065 1.00 0.00 C ATOM 283 C CYS A 21 -2.667 1.156 -0.556 1.00 0.00 C ATOM 284 O CYS A 21 -2.700 0.865 -1.731 1.00 0.00 O ATOM 285 CB CYS A 21 -2.149 3.592 -0.888 1.00 0.00 C ATOM 286 SG CYS A 21 -2.141 5.061 0.168 1.00 0.00 S ATOM 0 H CYS A 21 -0.182 1.352 -1.018 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.045 2.472 0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.417 3.708 -1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.124 3.483 -1.362 1.00 0.00 H new ATOM 291 N CYS A 22 -3.362 0.474 0.313 1.00 0.00 N ATOM 292 CA CYS A 22 -4.206 -0.673 -0.163 1.00 0.00 C ATOM 293 C CYS A 22 -5.499 -0.110 -0.750 1.00 0.00 C ATOM 294 O CYS A 22 -6.508 -0.037 -0.078 1.00 0.00 O ATOM 295 CB CYS A 22 -4.496 -1.529 1.076 1.00 0.00 C ATOM 296 SG CYS A 22 -3.781 -3.179 0.867 1.00 0.00 S ATOM 0 H CYS A 22 -3.387 0.652 1.317 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.715 -1.269 -0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.079 -1.053 1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.572 -1.607 1.231 1.00 0.00 H new ATOM 301 N LEU A 23 -5.469 0.313 -1.989 1.00 0.00 N ATOM 302 CA LEU A 23 -6.690 0.907 -2.605 1.00 0.00 C ATOM 303 C LEU A 23 -7.697 -0.191 -2.923 1.00 0.00 C ATOM 304 O LEU A 23 -7.381 -1.342 -2.796 1.00 0.00 O ATOM 305 CB LEU A 23 -6.199 1.597 -3.882 1.00 0.00 C ATOM 306 CG LEU A 23 -6.242 3.120 -3.695 1.00 0.00 C ATOM 307 CD1 LEU A 23 -5.315 3.526 -2.542 1.00 0.00 C ATOM 308 CD2 LEU A 23 -5.791 3.808 -4.983 1.00 0.00 C ATOM 0 H LEU A 23 -4.652 0.272 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.194 1.611 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.183 1.278 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.823 1.307 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.262 3.425 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.348 4.608 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.643 3.040 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.294 3.219 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.822 4.889 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.773 3.501 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.456 3.525 -5.799 1.00 0.00 H new ATOM 320 N SER A 24 -8.896 0.190 -3.327 1.00 0.00 N ATOM 321 CA SER A 24 -10.010 -0.774 -3.661 1.00 0.00 C ATOM 322 C SER A 24 -9.673 -2.261 -3.387 1.00 0.00 C ATOM 323 O SER A 24 -9.743 -3.093 -4.268 1.00 0.00 O ATOM 324 CB SER A 24 -10.259 -0.546 -5.153 1.00 0.00 C ATOM 325 OG SER A 24 -10.243 0.855 -5.436 1.00 0.00 O ATOM 0 H SER A 24 -9.157 1.169 -3.443 1.00 0.00 H new ATOM 0 HA SER A 24 -10.878 -0.585 -3.029 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.495 -1.054 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.219 -0.974 -5.441 1.00 0.00 H new ATOM 0 HG SER A 24 -10.401 0.997 -6.393 1.00 0.00 H new ATOM 331 N GLY A 25 -9.358 -2.597 -2.159 1.00 0.00 N ATOM 332 CA GLY A 25 -9.063 -4.018 -1.794 1.00 0.00 C ATOM 333 C GLY A 25 -7.772 -4.549 -2.452 1.00 0.00 C ATOM 334 O GLY A 25 -7.644 -5.742 -2.631 1.00 0.00 O ATOM 0 H GLY A 25 -9.292 -1.937 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.973 -4.099 -0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.902 -4.647 -2.092 1.00 0.00 H new ATOM 338 N ILE A 26 -6.819 -3.708 -2.803 1.00 0.00 N ATOM 339 CA ILE A 26 -5.544 -4.221 -3.432 1.00 0.00 C ATOM 340 C ILE A 26 -4.326 -3.482 -2.872 1.00 0.00 C ATOM 341 O ILE A 26 -4.410 -2.329 -2.495 1.00 0.00 O ATOM 342 CB ILE A 26 -5.625 -3.949 -4.946 1.00 0.00 C ATOM 343 CG1 ILE A 26 -7.079 -3.892 -5.425 1.00 0.00 C ATOM 344 CG2 ILE A 26 -4.885 -5.058 -5.709 1.00 0.00 C ATOM 345 CD1 ILE A 26 -7.667 -5.305 -5.526 1.00 0.00 C ATOM 0 H ILE A 26 -6.865 -2.696 -2.684 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.437 -5.284 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.160 -2.983 -5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.672 -3.293 -4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.129 -3.401 -6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.943 -4.864 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.840 -5.077 -5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.346 -6.021 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.700 -5.246 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.084 -5.892 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.636 -5.783 -4.547 1.00 0.00 H new ATOM 357 N CYS A 27 -3.190 -4.124 -2.843 1.00 0.00 N ATOM 358 CA CYS A 27 -1.964 -3.439 -2.329 1.00 0.00 C ATOM 359 C CYS A 27 -1.171 -2.867 -3.506 1.00 0.00 C ATOM 360 O CYS A 27 -0.505 -3.597 -4.207 1.00 0.00 O ATOM 361 CB CYS A 27 -1.151 -4.533 -1.629 1.00 0.00 C ATOM 362 SG CYS A 27 -1.006 -4.157 0.139 1.00 0.00 S ATOM 0 H CYS A 27 -3.055 -5.087 -3.150 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.200 -2.617 -1.653 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.634 -5.501 -1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.160 -4.605 -2.077 1.00 0.00 H new ATOM 367 N ALA A 28 -1.244 -1.577 -3.741 1.00 0.00 N ATOM 368 CA ALA A 28 -0.484 -0.987 -4.891 1.00 0.00 C ATOM 369 C ALA A 28 0.005 0.428 -4.557 1.00 0.00 C ATOM 370 O ALA A 28 -0.556 1.094 -3.712 1.00 0.00 O ATOM 371 CB ALA A 28 -1.485 -0.941 -6.040 1.00 0.00 C ATOM 0 H ALA A 28 -1.791 -0.913 -3.193 1.00 0.00 H new ATOM 0 HA ALA A 28 0.402 -1.574 -5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.006 -0.520 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.831 -1.951 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.335 -0.320 -5.758 1.00 0.00 H new HETATM 377 N HYP A 29 1.038 0.847 -5.245 1.00 0.00 N HETATM 378 CA HYP A 29 1.600 2.202 -5.029 1.00 0.00 C HETATM 379 C HYP A 29 0.710 3.260 -5.698 1.00 0.00 C HETATM 380 O HYP A 29 0.781 3.482 -6.891 1.00 0.00 O HETATM 381 CB HYP A 29 2.971 2.129 -5.696 1.00 0.00 C HETATM 382 CG HYP A 29 2.861 1.047 -6.731 1.00 0.00 C HETATM 383 CD HYP A 29 1.778 0.102 -6.268 1.00 0.00 C HETATM 384 OD1 HYP A 29 2.568 1.582 -8.028 1.00 0.00 O HETATM 0 HD23 HYP A 29 2.202 -0.815 -5.859 1.00 0.00 H new HETATM 0 HD22 HYP A 29 1.128 -0.188 -7.093 1.00 0.00 H new HETATM 0 HG HYP A 29 3.811 0.523 -6.833 1.00 0.00 H new HETATM 0 HD1 HYP A 29 1.911 2.304 -7.943 1.00 0.00 H new HETATM 0 HB3 HYP A 29 3.236 3.083 -6.153 1.00 0.00 H new HETATM 0 HB2 HYP A 29 3.749 1.897 -4.968 1.00 0.00 H new HETATM 0 HA HYP A 29 1.662 2.484 -3.978 1.00 0.00 H new ATOM 392 N SER A 30 -0.135 3.910 -4.948 1.00 0.00 N ATOM 393 CA SER A 30 -1.028 4.949 -5.555 1.00 0.00 C ATOM 394 C SER A 30 -0.211 6.194 -5.932 1.00 0.00 C ATOM 395 O SER A 30 -0.095 7.135 -5.157 1.00 0.00 O ATOM 396 CB SER A 30 -2.065 5.283 -4.476 1.00 0.00 C ATOM 397 OG SER A 30 -1.499 5.082 -3.182 1.00 0.00 O ATOM 0 H SER A 30 -0.250 3.771 -3.944 1.00 0.00 H new ATOM 0 HA SER A 30 -1.506 4.595 -6.468 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.394 6.317 -4.582 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.947 4.654 -4.599 1.00 0.00 H new ATOM 0 HG SER A 30 -1.912 5.701 -2.545 1.00 0.00 H new ATOM 403 N THR A 31 0.349 6.211 -7.115 1.00 0.00 N ATOM 404 CA THR A 31 1.150 7.392 -7.555 1.00 0.00 C ATOM 405 C THR A 31 0.246 8.630 -7.624 1.00 0.00 C ATOM 406 O THR A 31 -0.765 8.631 -8.303 1.00 0.00 O ATOM 407 CB THR A 31 1.687 7.039 -8.953 1.00 0.00 C ATOM 408 OG1 THR A 31 1.811 5.623 -9.093 1.00 0.00 O ATOM 409 CG2 THR A 31 3.059 7.688 -9.146 1.00 0.00 C ATOM 0 H THR A 31 0.285 5.455 -7.797 1.00 0.00 H new ATOM 0 HA THR A 31 1.963 7.616 -6.865 1.00 0.00 H new ATOM 0 HB THR A 31 0.990 7.410 -9.705 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.152 5.411 -9.987 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.443 7.440 -10.136 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.966 8.770 -9.054 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.747 7.317 -8.387 1.00 0.00 H new ATOM 417 N ASN A 32 0.593 9.677 -6.920 1.00 0.00 N ATOM 418 CA ASN A 32 -0.255 10.911 -6.944 1.00 0.00 C ATOM 419 C ASN A 32 0.621 12.169 -6.839 1.00 0.00 C ATOM 420 O ASN A 32 1.832 12.093 -6.738 1.00 0.00 O ATOM 421 CB ASN A 32 -1.193 10.783 -5.734 1.00 0.00 C ATOM 422 CG ASN A 32 -0.383 10.838 -4.434 1.00 0.00 C ATOM 423 OD1 ASN A 32 0.079 11.886 -4.042 1.00 0.00 O ATOM 424 ND2 ASN A 32 -0.190 9.742 -3.754 1.00 0.00 N ATOM 0 H ASN A 32 1.424 9.733 -6.331 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.816 11.006 -7.874 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.929 11.587 -5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.745 9.845 -5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.351 9.767 -2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.580 8.860 -4.086 1.00 0.00 H new ATOM 431 N TRP A 33 0.009 13.326 -6.884 1.00 0.00 N ATOM 432 CA TRP A 33 0.787 14.610 -6.824 1.00 0.00 C ATOM 433 C TRP A 33 0.069 15.608 -5.914 1.00 0.00 C ATOM 434 O TRP A 33 0.577 16.009 -4.886 1.00 0.00 O ATOM 435 CB TRP A 33 0.827 15.158 -8.272 1.00 0.00 C ATOM 436 CG TRP A 33 0.055 14.258 -9.184 1.00 0.00 C ATOM 437 CD1 TRP A 33 -1.248 14.400 -9.506 1.00 0.00 C ATOM 438 CD2 TRP A 33 0.515 13.056 -9.855 1.00 0.00 C ATOM 439 NE1 TRP A 33 -1.617 13.351 -10.326 1.00 0.00 N ATOM 440 CE2 TRP A 33 -0.560 12.502 -10.583 1.00 0.00 C ATOM 441 CE3 TRP A 33 1.758 12.406 -9.906 1.00 0.00 C ATOM 442 CZ2 TRP A 33 -0.410 11.333 -11.329 1.00 0.00 C ATOM 443 CZ3 TRP A 33 1.917 11.232 -10.653 1.00 0.00 C ATOM 444 CH2 TRP A 33 0.836 10.697 -11.370 1.00 0.00 C ATOM 0 H TRP A 33 -1.002 13.441 -6.960 1.00 0.00 H new ATOM 0 HA TRP A 33 1.790 14.452 -6.428 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.407 16.164 -8.300 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.860 15.234 -8.612 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.895 15.200 -9.177 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -2.558 13.220 -10.697 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.599 12.814 -9.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.249 10.922 -11.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.876 10.736 -10.677 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.965 9.797 -11.952 1.00 0.00 H new ATOM 455 N ILE A 34 -1.120 16.007 -6.296 1.00 0.00 N ATOM 456 CA ILE A 34 -1.903 16.981 -5.472 1.00 0.00 C ATOM 457 C ILE A 34 -2.916 16.237 -4.580 1.00 0.00 C ATOM 458 O ILE A 34 -3.704 16.848 -3.885 1.00 0.00 O ATOM 459 CB ILE A 34 -2.645 17.891 -6.474 1.00 0.00 C ATOM 460 CG1 ILE A 34 -1.867 18.042 -7.797 1.00 0.00 C ATOM 461 CG2 ILE A 34 -2.829 19.280 -5.857 1.00 0.00 C ATOM 462 CD1 ILE A 34 -0.454 18.564 -7.528 1.00 0.00 C ATOM 0 H ILE A 34 -1.585 15.697 -7.149 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.252 17.557 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.608 17.428 -6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.815 17.080 -8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.395 18.727 -8.460 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.353 19.925 -6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.412 19.196 -4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.853 19.709 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.082 18.665 -8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.512 19.536 -7.038 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.076 17.863 -6.883 1.00 0.00 H new ATOM 474 N LEU A 35 -2.901 14.928 -4.597 1.00 0.00 N ATOM 475 CA LEU A 35 -3.857 14.151 -3.758 1.00 0.00 C ATOM 476 C LEU A 35 -3.161 13.676 -2.471 1.00 0.00 C ATOM 477 O LEU A 35 -1.951 13.556 -2.434 1.00 0.00 O ATOM 478 CB LEU A 35 -4.277 12.968 -4.634 1.00 0.00 C ATOM 479 CG LEU A 35 -5.509 13.351 -5.457 1.00 0.00 C ATOM 480 CD1 LEU A 35 -5.596 12.461 -6.696 1.00 0.00 C ATOM 481 CD2 LEU A 35 -6.772 13.163 -4.614 1.00 0.00 C ATOM 0 H LEU A 35 -2.264 14.364 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.719 14.740 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.459 12.684 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.498 12.101 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.425 14.395 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.474 12.736 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.700 12.594 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.676 11.418 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.647 13.437 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.853 12.120 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.717 13.798 -3.730 1.00 0.00 H new ATOM 493 N PRO A 36 -3.950 13.427 -1.451 1.00 0.00 N ATOM 494 CA PRO A 36 -3.386 12.971 -0.147 1.00 0.00 C ATOM 495 C PRO A 36 -2.855 11.534 -0.237 1.00 0.00 C ATOM 496 O PRO A 36 -1.730 11.257 0.128 1.00 0.00 O ATOM 497 CB PRO A 36 -4.575 13.072 0.810 1.00 0.00 C ATOM 498 CG PRO A 36 -5.792 12.980 -0.059 1.00 0.00 C ATOM 499 CD PRO A 36 -5.419 13.546 -1.407 1.00 0.00 C ATOM 0 HA PRO A 36 -2.532 13.567 0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.556 12.269 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.556 14.011 1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.120 11.945 -0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -6.620 13.539 0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.889 12.989 -2.217 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.738 14.583 -1.506 1.00 0.00 H new ATOM 507 N GLY A 37 -3.652 10.624 -0.719 1.00 0.00 N ATOM 508 CA GLY A 37 -3.201 9.206 -0.835 1.00 0.00 C ATOM 509 C GLY A 37 -4.330 8.279 -0.396 1.00 0.00 C ATOM 510 O GLY A 37 -5.218 7.969 -1.165 1.00 0.00 O ATOM 0 H GLY A 37 -4.604 10.800 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.914 8.987 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.319 9.041 -0.216 1.00 0.00 H new ATOM 514 N CYS A 38 -4.304 7.838 0.832 1.00 0.00 N ATOM 515 CA CYS A 38 -5.383 6.926 1.326 1.00 0.00 C ATOM 516 C CYS A 38 -5.358 6.842 2.862 1.00 0.00 C ATOM 517 O CYS A 38 -5.864 5.870 3.399 1.00 0.00 O ATOM 518 CB CYS A 38 -5.092 5.563 0.678 1.00 0.00 C ATOM 519 SG CYS A 38 -3.660 4.767 1.467 1.00 0.00 S ATOM 520 OXT CYS A 38 -4.851 7.760 3.478 1.00 0.00 O ATOM 0 H CYS A 38 -3.584 8.068 1.517 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.378 7.283 1.061 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.967 4.919 0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.900 5.695 -0.387 1.00 0.00 H new TER 525 CYS A 38