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 Set 1.1: A 30 SER OG : rot -169:sc= 0.844 USER MOD Set 1.2: A 32 ASN : amide:sc= 0.547 K(o=1.4,f=0.0051!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.11) 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= -5.24 X(o=-5.2,f=-5!) USER MOD Single : A 20 ASN : amide:sc= -0.0417 K(o=-0.042,f=-6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HYP OD1 : rot -51:sc= 0.776 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.149 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.886 -6.861 -1.657 1.00 0.00 N ATOM 2 CA GLY A 1 16.661 -7.702 -1.807 1.00 0.00 C ATOM 3 C GLY A 1 15.414 -6.840 -1.580 1.00 0.00 C ATOM 4 O GLY A 1 15.012 -6.626 -0.453 1.00 0.00 O ATOM 0 H1 GLY A 1 18.731 -7.448 -1.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.866 -6.091 -2.356 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.915 -6.458 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.632 -8.146 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.682 -8.524 -1.092 1.00 0.00 H new HETATM 10 N HYP A 2 14.842 -6.363 -2.659 1.00 0.00 N HETATM 11 CA HYP A 2 13.632 -5.507 -2.565 1.00 0.00 C HETATM 12 C HYP A 2 12.396 -6.341 -2.187 1.00 0.00 C HETATM 13 O HYP A 2 11.741 -6.912 -3.036 1.00 0.00 O HETATM 14 CB HYP A 2 13.490 -4.937 -3.975 1.00 0.00 C HETATM 15 CG HYP A 2 14.171 -5.921 -4.872 1.00 0.00 C HETATM 16 CD HYP A 2 15.261 -6.566 -4.051 1.00 0.00 C HETATM 17 OD1 HYP A 2 14.709 -5.288 -6.036 1.00 0.00 O HETATM 0 HD23 HYP A 2 16.229 -6.105 -4.245 1.00 0.00 H new HETATM 0 HD22 HYP A 2 15.360 -7.626 -4.285 1.00 0.00 H new HETATM 0 HG HYP A 2 13.461 -6.664 -5.236 1.00 0.00 H new HETATM 0 HD1 HYP A 2 15.148 -5.959 -6.600 1.00 0.00 H new HETATM 0 HB3 HYP A 2 12.441 -4.818 -4.247 1.00 0.00 H new HETATM 0 HB2 HYP A 2 13.952 -3.953 -4.049 1.00 0.00 H new HETATM 0 HA HYP A 2 13.717 -4.736 -1.799 1.00 0.00 H new ATOM 25 N SER A 3 12.075 -6.410 -0.920 1.00 0.00 N ATOM 26 CA SER A 3 10.878 -7.195 -0.488 1.00 0.00 C ATOM 27 C SER A 3 9.920 -6.280 0.286 1.00 0.00 C ATOM 28 O SER A 3 10.317 -5.621 1.230 1.00 0.00 O ATOM 29 CB SER A 3 11.424 -8.296 0.422 1.00 0.00 C ATOM 30 OG SER A 3 11.236 -9.566 -0.202 1.00 0.00 O ATOM 0 H SER A 3 12.590 -5.957 -0.165 1.00 0.00 H new ATOM 0 HA SER A 3 10.324 -7.612 -1.329 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.483 -8.128 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.914 -8.273 1.385 1.00 0.00 H new ATOM 0 HG SER A 3 11.587 -10.272 0.380 1.00 0.00 H new ATOM 36 N PHE A 4 8.676 -6.228 -0.105 1.00 0.00 N ATOM 37 CA PHE A 4 7.701 -5.342 0.608 1.00 0.00 C ATOM 38 C PHE A 4 7.154 -6.038 1.854 1.00 0.00 C ATOM 39 O PHE A 4 6.772 -7.189 1.805 1.00 0.00 O ATOM 40 CB PHE A 4 6.559 -5.085 -0.393 1.00 0.00 C ATOM 41 CG PHE A 4 7.098 -4.417 -1.640 1.00 0.00 C ATOM 42 CD1 PHE A 4 7.718 -3.165 -1.556 1.00 0.00 C ATOM 43 CD2 PHE A 4 6.974 -5.055 -2.881 1.00 0.00 C ATOM 44 CE1 PHE A 4 8.216 -2.552 -2.711 1.00 0.00 C ATOM 45 CE2 PHE A 4 7.472 -4.445 -4.035 1.00 0.00 C ATOM 46 CZ PHE A 4 8.094 -3.192 -3.952 1.00 0.00 C ATOM 0 H PHE A 4 8.289 -6.758 -0.886 1.00 0.00 H new ATOM 0 HA PHE A 4 8.173 -4.416 0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.077 -6.027 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.798 -4.454 0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.812 -2.672 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.493 -6.020 -2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.694 -1.586 -2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.378 -4.939 -4.991 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.479 -2.720 -4.844 1.00 0.00 H new ATOM 56 N CYS A 5 7.117 -5.336 2.965 1.00 0.00 N ATOM 57 CA CYS A 5 6.588 -5.926 4.256 1.00 0.00 C ATOM 58 C CYS A 5 5.488 -6.957 3.976 1.00 0.00 C ATOM 59 O CYS A 5 5.584 -8.100 4.378 1.00 0.00 O ATOM 60 CB CYS A 5 5.974 -4.770 5.077 1.00 0.00 C ATOM 61 SG CYS A 5 6.335 -3.141 4.356 1.00 0.00 S ATOM 0 H CYS A 5 7.432 -4.369 3.040 1.00 0.00 H new ATOM 0 HA CYS A 5 7.400 -6.420 4.790 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.894 -4.906 5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.359 -4.807 6.096 1.00 0.00 H new ATOM 66 N LYS A 6 4.438 -6.559 3.294 1.00 0.00 N ATOM 67 CA LYS A 6 3.341 -7.520 2.992 1.00 0.00 C ATOM 68 C LYS A 6 3.435 -7.963 1.527 1.00 0.00 C ATOM 69 O LYS A 6 4.021 -8.983 1.225 1.00 0.00 O ATOM 70 CB LYS A 6 2.039 -6.757 3.270 1.00 0.00 C ATOM 71 CG LYS A 6 2.091 -6.100 4.658 1.00 0.00 C ATOM 72 CD LYS A 6 2.173 -7.179 5.749 1.00 0.00 C ATOM 73 CE LYS A 6 0.798 -7.364 6.398 1.00 0.00 C ATOM 74 NZ LYS A 6 0.991 -8.408 7.446 1.00 0.00 N ATOM 0 H LYS A 6 4.299 -5.614 2.937 1.00 0.00 H new ATOM 0 HA LYS A 6 3.395 -8.425 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.886 -5.995 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.191 -7.439 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.955 -5.439 4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.205 -5.484 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.512 -8.121 5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.906 -6.892 6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.441 -6.431 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.056 -7.677 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.088 -8.584 7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.324 -9.288 7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.696 -8.080 8.137 1.00 0.00 H new ATOM 88 N ALA A 7 2.874 -7.198 0.621 1.00 0.00 N ATOM 89 CA ALA A 7 2.937 -7.560 -0.830 1.00 0.00 C ATOM 90 C ALA A 7 2.192 -6.522 -1.678 1.00 0.00 C ATOM 91 O ALA A 7 1.341 -5.808 -1.188 1.00 0.00 O ATOM 92 CB ALA A 7 2.242 -8.915 -0.948 1.00 0.00 C ATOM 0 H ALA A 7 2.373 -6.334 0.826 1.00 0.00 H new ATOM 0 HA ALA A 7 3.967 -7.593 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.253 -9.240 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.766 -9.647 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.211 -8.826 -0.606 1.00 0.00 H new ATOM 98 N ASP A 8 2.492 -6.457 -2.949 1.00 0.00 N ATOM 99 CA ASP A 8 1.799 -5.494 -3.844 1.00 0.00 C ATOM 100 C ASP A 8 0.893 -6.265 -4.800 1.00 0.00 C ATOM 101 O ASP A 8 1.016 -7.474 -4.944 1.00 0.00 O ATOM 102 CB ASP A 8 2.909 -4.754 -4.602 1.00 0.00 C ATOM 103 CG ASP A 8 3.286 -3.485 -3.848 1.00 0.00 C ATOM 104 OD1 ASP A 8 3.847 -3.602 -2.771 1.00 0.00 O ATOM 105 OD2 ASP A 8 3.017 -2.412 -4.360 1.00 0.00 O ATOM 0 H ASP A 8 3.195 -7.037 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 8 1.172 -4.788 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.782 -5.398 -4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.572 -4.504 -5.608 1.00 0.00 H new ATOM 110 N GLU A 9 -0.038 -5.579 -5.420 1.00 0.00 N ATOM 111 CA GLU A 9 -1.011 -6.246 -6.349 1.00 0.00 C ATOM 112 C GLU A 9 -1.821 -7.303 -5.573 1.00 0.00 C ATOM 113 O GLU A 9 -2.473 -8.147 -6.155 1.00 0.00 O ATOM 114 CB GLU A 9 -0.176 -6.907 -7.455 1.00 0.00 C ATOM 115 CG GLU A 9 0.710 -5.858 -8.144 1.00 0.00 C ATOM 116 CD GLU A 9 1.315 -6.461 -9.405 1.00 0.00 C ATOM 117 OE1 GLU A 9 0.567 -6.735 -10.326 1.00 0.00 O ATOM 118 OE2 GLU A 9 2.518 -6.647 -9.433 1.00 0.00 O ATOM 0 H GLU A 9 -0.168 -4.572 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.717 -5.533 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.444 -7.697 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.833 -7.377 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.121 -4.976 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.500 -5.532 -7.468 1.00 0.00 H new ATOM 125 N LYS A 10 -1.787 -7.255 -4.259 1.00 0.00 N ATOM 126 CA LYS A 10 -2.542 -8.242 -3.440 1.00 0.00 C ATOM 127 C LYS A 10 -3.810 -7.590 -2.891 1.00 0.00 C ATOM 128 O LYS A 10 -3.756 -6.505 -2.337 1.00 0.00 O ATOM 129 CB LYS A 10 -1.590 -8.638 -2.303 1.00 0.00 C ATOM 130 CG LYS A 10 -1.096 -10.076 -2.516 1.00 0.00 C ATOM 131 CD LYS A 10 -0.501 -10.225 -3.922 1.00 0.00 C ATOM 132 CE LYS A 10 0.926 -10.777 -3.826 1.00 0.00 C ATOM 133 NZ LYS A 10 1.678 -10.096 -4.919 1.00 0.00 N ATOM 0 H LYS A 10 -1.262 -6.565 -3.721 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.854 -9.113 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.742 -7.953 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.101 -8.558 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.345 -10.326 -1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.922 -10.776 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.120 -10.894 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.494 -9.260 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.367 -10.564 -2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.940 -11.860 -3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.696 -10.276 -4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.363 -10.464 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.500 -9.072 -4.877 1.00 0.00 H new HETATM 147 N HYP A 11 -4.915 -8.261 -3.076 1.00 0.00 N HETATM 148 CA HYP A 11 -6.214 -7.734 -2.608 1.00 0.00 C HETATM 149 C HYP A 11 -6.320 -7.781 -1.076 1.00 0.00 C HETATM 150 O HYP A 11 -6.468 -8.836 -0.486 1.00 0.00 O HETATM 151 CB HYP A 11 -7.234 -8.668 -3.251 1.00 0.00 C HETATM 152 CG HYP A 11 -6.496 -9.945 -3.495 1.00 0.00 C HETATM 153 CD HYP A 11 -5.058 -9.563 -3.734 1.00 0.00 C HETATM 154 OD1 HYP A 11 -7.038 -10.663 -4.606 1.00 0.00 O HETATM 0 HD23 HYP A 11 -4.836 -9.497 -4.799 1.00 0.00 H new HETATM 0 HD22 HYP A 11 -4.375 -10.300 -3.311 1.00 0.00 H new HETATM 0 HG HYP A 11 -6.586 -10.615 -2.640 1.00 0.00 H new HETATM 0 HD1 HYP A 11 -6.531 -11.491 -4.739 1.00 0.00 H new HETATM 0 HB3 HYP A 11 -8.090 -8.827 -2.596 1.00 0.00 H new HETATM 0 HB2 HYP A 11 -7.618 -8.251 -4.182 1.00 0.00 H new HETATM 0 HA HYP A 11 -6.362 -6.689 -2.879 1.00 0.00 H new ATOM 162 N CYS A 12 -6.273 -6.643 -0.437 1.00 0.00 N ATOM 163 CA CYS A 12 -6.404 -6.596 1.051 1.00 0.00 C ATOM 164 C CYS A 12 -7.562 -5.648 1.422 1.00 0.00 C ATOM 165 O CYS A 12 -8.327 -5.251 0.566 1.00 0.00 O ATOM 166 CB CYS A 12 -5.038 -6.095 1.557 1.00 0.00 C ATOM 167 SG CYS A 12 -5.130 -4.351 2.036 1.00 0.00 S ATOM 0 H CYS A 12 -6.148 -5.735 -0.885 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.641 -7.559 1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.719 -6.695 2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.287 -6.224 0.778 1.00 0.00 H new ATOM 172 N GLU A 13 -7.723 -5.292 2.672 1.00 0.00 N ATOM 173 CA GLU A 13 -8.860 -4.387 3.041 1.00 0.00 C ATOM 174 C GLU A 13 -8.371 -2.962 3.373 1.00 0.00 C ATOM 175 O GLU A 13 -8.528 -2.045 2.587 1.00 0.00 O ATOM 176 CB GLU A 13 -9.504 -5.038 4.268 1.00 0.00 C ATOM 177 CG GLU A 13 -10.657 -5.949 3.833 1.00 0.00 C ATOM 178 CD GLU A 13 -11.082 -6.829 5.007 1.00 0.00 C ATOM 179 OE1 GLU A 13 -11.782 -6.335 5.870 1.00 0.00 O ATOM 180 OE2 GLU A 13 -10.693 -7.981 5.032 1.00 0.00 O ATOM 0 H GLU A 13 -7.126 -5.583 3.446 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.562 -4.274 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.760 -5.616 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.873 -4.269 4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.500 -5.348 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.347 -6.570 2.993 1.00 0.00 H new ATOM 187 N TYR A 14 -7.811 -2.758 4.540 1.00 0.00 N ATOM 188 CA TYR A 14 -7.352 -1.381 4.929 1.00 0.00 C ATOM 189 C TYR A 14 -6.054 -1.003 4.198 1.00 0.00 C ATOM 190 O TYR A 14 -5.373 -1.841 3.644 1.00 0.00 O ATOM 191 CB TYR A 14 -7.136 -1.432 6.447 1.00 0.00 C ATOM 192 CG TYR A 14 -8.451 -1.731 7.150 1.00 0.00 C ATOM 193 CD1 TYR A 14 -9.673 -1.357 6.565 1.00 0.00 C ATOM 194 CD2 TYR A 14 -8.443 -2.381 8.391 1.00 0.00 C ATOM 195 CE1 TYR A 14 -10.881 -1.638 7.220 1.00 0.00 C ATOM 196 CE2 TYR A 14 -9.652 -2.660 9.044 1.00 0.00 C ATOM 197 CZ TYR A 14 -10.869 -2.287 8.458 1.00 0.00 C ATOM 198 OH TYR A 14 -12.059 -2.562 9.102 1.00 0.00 O ATOM 0 H TYR A 14 -7.651 -3.481 5.241 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.085 -0.622 4.654 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.401 -2.198 6.692 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.735 -0.481 6.798 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.682 -0.853 5.610 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.506 -2.667 8.845 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.820 -1.353 6.768 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.645 -3.163 10.000 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.874 -3.017 9.950 1.00 0.00 H new ATOM 208 N HIS A 15 -5.717 0.262 4.182 1.00 0.00 N ATOM 209 CA HIS A 15 -4.476 0.704 3.465 1.00 0.00 C ATOM 210 C HIS A 15 -3.215 0.489 4.322 1.00 0.00 C ATOM 211 O HIS A 15 -2.127 0.368 3.796 1.00 0.00 O ATOM 212 CB HIS A 15 -4.661 2.211 3.192 1.00 0.00 C ATOM 213 CG HIS A 15 -5.767 2.451 2.185 1.00 0.00 C ATOM 214 ND1 HIS A 15 -7.111 2.418 2.533 1.00 0.00 N ATOM 215 CD2 HIS A 15 -5.741 2.765 0.840 1.00 0.00 C ATOM 216 CE1 HIS A 15 -7.826 2.707 1.430 1.00 0.00 C ATOM 217 NE2 HIS A 15 -7.044 2.923 0.373 1.00 0.00 N ATOM 0 H HIS A 15 -6.245 1.009 4.633 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.339 0.126 2.551 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.895 2.726 4.123 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.728 2.634 2.820 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.488 2.212 3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.848 2.872 0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.905 2.758 1.405 1.00 0.00 H new ATOM 225 N ALA A 16 -3.346 0.477 5.626 1.00 0.00 N ATOM 226 CA ALA A 16 -2.142 0.315 6.508 1.00 0.00 C ATOM 227 C ALA A 16 -1.537 -1.097 6.443 1.00 0.00 C ATOM 228 O ALA A 16 -0.372 -1.281 6.750 1.00 0.00 O ATOM 229 CB ALA A 16 -2.642 0.613 7.926 1.00 0.00 C ATOM 0 H ALA A 16 -4.233 0.572 6.120 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.344 0.984 6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.817 0.515 8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.036 1.629 7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.430 -0.092 8.190 1.00 0.00 H new ATOM 235 N ASP A 17 -2.293 -2.095 6.057 1.00 0.00 N ATOM 236 CA ASP A 17 -1.724 -3.486 5.998 1.00 0.00 C ATOM 237 C ASP A 17 -0.823 -3.648 4.762 1.00 0.00 C ATOM 238 O ASP A 17 -0.987 -4.559 3.973 1.00 0.00 O ATOM 239 CB ASP A 17 -2.943 -4.421 5.922 1.00 0.00 C ATOM 240 CG ASP A 17 -2.542 -5.843 6.331 1.00 0.00 C ATOM 241 OD1 ASP A 17 -1.706 -5.977 7.206 1.00 0.00 O ATOM 242 OD2 ASP A 17 -3.093 -6.779 5.776 1.00 0.00 O ATOM 0 H ASP A 17 -3.272 -2.013 5.782 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.101 -3.711 6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.733 -4.055 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.345 -4.425 4.909 1.00 0.00 H new ATOM 247 N CYS A 18 0.132 -2.770 4.590 1.00 0.00 N ATOM 248 CA CYS A 18 1.041 -2.869 3.410 1.00 0.00 C ATOM 249 C CYS A 18 2.131 -1.790 3.484 1.00 0.00 C ATOM 250 O CYS A 18 2.190 -1.021 4.422 1.00 0.00 O ATOM 251 CB CYS A 18 0.140 -2.631 2.198 1.00 0.00 C ATOM 252 SG CYS A 18 0.260 -4.042 1.074 1.00 0.00 S ATOM 0 H CYS A 18 0.321 -1.988 5.217 1.00 0.00 H new ATOM 0 HA CYS A 18 1.550 -3.832 3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.893 -2.495 2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.437 -1.717 1.684 1.00 0.00 H new ATOM 257 N CYS A 19 2.985 -1.722 2.491 1.00 0.00 N ATOM 258 CA CYS A 19 4.071 -0.682 2.496 1.00 0.00 C ATOM 259 C CYS A 19 3.747 0.438 1.498 1.00 0.00 C ATOM 260 O CYS A 19 4.578 1.279 1.210 1.00 0.00 O ATOM 261 CB CYS A 19 5.350 -1.408 2.066 1.00 0.00 C ATOM 262 SG CYS A 19 5.294 -3.132 2.623 1.00 0.00 S ATOM 0 H CYS A 19 2.980 -2.338 1.678 1.00 0.00 H new ATOM 0 HA CYS A 19 4.175 -0.223 3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.454 -1.370 0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.222 -0.908 2.488 1.00 0.00 H new ATOM 267 N ASN A 20 2.551 0.452 0.974 1.00 0.00 N ATOM 268 CA ASN A 20 2.157 1.511 -0.003 1.00 0.00 C ATOM 269 C ASN A 20 0.724 1.966 0.307 1.00 0.00 C ATOM 270 O ASN A 20 0.519 2.755 1.203 1.00 0.00 O ATOM 271 CB ASN A 20 2.264 0.857 -1.393 1.00 0.00 C ATOM 272 CG ASN A 20 1.813 -0.608 -1.332 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.627 -0.884 -1.291 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.708 -1.563 -1.310 1.00 0.00 N ATOM 0 H ASN A 20 1.823 -0.231 1.182 1.00 0.00 H new ATOM 0 HA ASN A 20 2.791 2.396 0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.649 1.404 -2.107 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.292 0.913 -1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.412 -2.538 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.701 -1.332 -1.344 1.00 0.00 H new ATOM 281 N CYS A 21 -0.268 1.471 -0.399 1.00 0.00 N ATOM 282 CA CYS A 21 -1.671 1.885 -0.105 1.00 0.00 C ATOM 283 C CYS A 21 -2.673 0.875 -0.686 1.00 0.00 C ATOM 284 O CYS A 21 -2.732 0.661 -1.883 1.00 0.00 O ATOM 285 CB CYS A 21 -1.832 3.256 -0.764 1.00 0.00 C ATOM 286 SG CYS A 21 -2.857 4.312 0.291 1.00 0.00 S ATOM 0 H CYS A 21 -0.163 0.802 -1.162 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.866 1.926 0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.855 3.715 -0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.292 3.148 -1.746 1.00 0.00 H new ATOM 291 N CYS A 22 -3.470 0.267 0.149 1.00 0.00 N ATOM 292 CA CYS A 22 -4.488 -0.707 -0.356 1.00 0.00 C ATOM 293 C CYS A 22 -5.715 0.082 -0.823 1.00 0.00 C ATOM 294 O CYS A 22 -6.643 0.289 -0.077 1.00 0.00 O ATOM 295 CB CYS A 22 -4.841 -1.601 0.837 1.00 0.00 C ATOM 296 SG CYS A 22 -4.776 -3.336 0.328 1.00 0.00 S ATOM 0 H CYS A 22 -3.463 0.400 1.160 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.126 -1.307 -1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.144 -1.425 1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.837 -1.356 1.207 1.00 0.00 H new ATOM 301 N LEU A 23 -5.703 0.552 -2.045 1.00 0.00 N ATOM 302 CA LEU A 23 -6.850 1.375 -2.558 1.00 0.00 C ATOM 303 C LEU A 23 -8.155 0.565 -2.599 1.00 0.00 C ATOM 304 O LEU A 23 -8.738 0.282 -1.577 1.00 0.00 O ATOM 305 CB LEU A 23 -6.397 1.837 -3.948 1.00 0.00 C ATOM 306 CG LEU A 23 -5.655 3.171 -3.829 1.00 0.00 C ATOM 307 CD1 LEU A 23 -4.356 2.974 -3.051 1.00 0.00 C ATOM 308 CD2 LEU A 23 -5.323 3.692 -5.227 1.00 0.00 C ATOM 0 H LEU A 23 -4.948 0.403 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.079 2.221 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.747 1.087 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.260 1.946 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.288 3.887 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.833 3.927 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.583 2.598 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.724 2.256 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.795 4.642 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.692 2.969 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.245 3.837 -5.790 1.00 0.00 H new ATOM 320 N SER A 24 -8.625 0.208 -3.755 1.00 0.00 N ATOM 321 CA SER A 24 -9.907 -0.572 -3.846 1.00 0.00 C ATOM 322 C SER A 24 -9.694 -2.014 -3.362 1.00 0.00 C ATOM 323 O SER A 24 -9.966 -2.965 -4.073 1.00 0.00 O ATOM 324 CB SER A 24 -10.299 -0.548 -5.326 1.00 0.00 C ATOM 325 OG SER A 24 -11.667 -0.189 -5.439 1.00 0.00 O ATOM 0 H SER A 24 -8.183 0.418 -4.650 1.00 0.00 H new ATOM 0 HA SER A 24 -10.688 -0.143 -3.218 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.677 0.165 -5.868 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.129 -1.526 -5.776 1.00 0.00 H new ATOM 0 HG SER A 24 -11.923 -0.170 -6.385 1.00 0.00 H new ATOM 331 N GLY A 25 -9.216 -2.178 -2.157 1.00 0.00 N ATOM 332 CA GLY A 25 -8.980 -3.541 -1.606 1.00 0.00 C ATOM 333 C GLY A 25 -7.766 -4.194 -2.284 1.00 0.00 C ATOM 334 O GLY A 25 -7.672 -5.400 -2.356 1.00 0.00 O ATOM 0 H GLY A 25 -8.977 -1.414 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.814 -3.481 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.865 -4.159 -1.758 1.00 0.00 H new ATOM 338 N ILE A 26 -6.830 -3.414 -2.778 1.00 0.00 N ATOM 339 CA ILE A 26 -5.614 -4.003 -3.445 1.00 0.00 C ATOM 340 C ILE A 26 -4.371 -3.212 -3.034 1.00 0.00 C ATOM 341 O ILE A 26 -4.390 -1.995 -3.012 1.00 0.00 O ATOM 342 CB ILE A 26 -5.817 -3.870 -4.973 1.00 0.00 C ATOM 343 CG1 ILE A 26 -7.308 -3.789 -5.339 1.00 0.00 C ATOM 344 CG2 ILE A 26 -5.194 -5.077 -5.671 1.00 0.00 C ATOM 345 CD1 ILE A 26 -7.945 -5.181 -5.284 1.00 0.00 C ATOM 0 H ILE A 26 -6.853 -2.395 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.482 -5.045 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.335 -2.949 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.823 -3.119 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.422 -3.369 -6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.335 -4.987 -6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.128 -5.117 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.674 -5.990 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.001 -5.109 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.441 -5.840 -5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.848 -5.586 -4.277 1.00 0.00 H new ATOM 357 N CYS A 27 -3.288 -3.883 -2.722 1.00 0.00 N ATOM 358 CA CYS A 27 -2.045 -3.149 -2.330 1.00 0.00 C ATOM 359 C CYS A 27 -1.326 -2.641 -3.581 1.00 0.00 C ATOM 360 O CYS A 27 -0.543 -3.353 -4.180 1.00 0.00 O ATOM 361 CB CYS A 27 -1.172 -4.169 -1.592 1.00 0.00 C ATOM 362 SG CYS A 27 -1.548 -4.107 0.177 1.00 0.00 S ATOM 0 H CYS A 27 -3.212 -4.900 -2.722 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.264 -2.285 -1.703 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.356 -5.171 -1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.117 -3.951 -1.759 1.00 0.00 H new ATOM 367 N ALA A 28 -1.592 -1.427 -3.985 1.00 0.00 N ATOM 368 CA ALA A 28 -0.921 -0.879 -5.205 1.00 0.00 C ATOM 369 C ALA A 28 -0.991 0.652 -5.208 1.00 0.00 C ATOM 370 O ALA A 28 -2.059 1.221 -5.078 1.00 0.00 O ATOM 371 CB ALA A 28 -1.705 -1.453 -6.394 1.00 0.00 C ATOM 0 H ALA A 28 -2.243 -0.791 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 28 0.134 -1.151 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.268 -1.093 -7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.659 -2.542 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.745 -1.132 -6.333 1.00 0.00 H new HETATM 377 N HYP A 29 0.152 1.277 -5.366 1.00 0.00 N HETATM 378 CA HYP A 29 0.200 2.759 -5.401 1.00 0.00 C HETATM 379 C HYP A 29 -0.415 3.270 -6.711 1.00 0.00 C HETATM 380 O HYP A 29 -0.158 2.732 -7.775 1.00 0.00 O HETATM 381 CB HYP A 29 1.697 3.069 -5.352 1.00 0.00 C HETATM 382 CG HYP A 29 2.367 1.852 -5.909 1.00 0.00 C HETATM 383 CD HYP A 29 1.489 0.686 -5.522 1.00 0.00 C HETATM 384 OD1 HYP A 29 2.534 1.948 -7.329 1.00 0.00 O HETATM 0 HD23 HYP A 29 1.829 0.221 -4.597 1.00 0.00 H new HETATM 0 HD22 HYP A 29 1.495 -0.089 -6.289 1.00 0.00 H new HETATM 0 HG HYP A 29 3.374 1.733 -5.509 1.00 0.00 H new HETATM 0 HD1 HYP A 29 1.679 2.189 -7.743 1.00 0.00 H new HETATM 0 HB3 HYP A 29 1.935 3.954 -5.941 1.00 0.00 H new HETATM 0 HB2 HYP A 29 2.025 3.267 -4.332 1.00 0.00 H new HETATM 0 HA HYP A 29 -0.355 3.230 -4.590 1.00 0.00 H new ATOM 392 N SER A 30 -1.219 4.300 -6.651 1.00 0.00 N ATOM 393 CA SER A 30 -1.844 4.840 -7.902 1.00 0.00 C ATOM 394 C SER A 30 -0.837 5.735 -8.642 1.00 0.00 C ATOM 395 O SER A 30 0.140 6.190 -8.069 1.00 0.00 O ATOM 396 CB SER A 30 -3.077 5.631 -7.426 1.00 0.00 C ATOM 397 OG SER A 30 -3.046 6.955 -7.954 1.00 0.00 O ATOM 0 H SER A 30 -1.471 4.791 -5.794 1.00 0.00 H new ATOM 0 HA SER A 30 -2.132 4.059 -8.605 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.988 5.125 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.097 5.666 -6.337 1.00 0.00 H new ATOM 0 HG SER A 30 -3.730 7.500 -7.512 1.00 0.00 H new ATOM 403 N THR A 31 -1.058 5.988 -9.909 1.00 0.00 N ATOM 404 CA THR A 31 -0.107 6.845 -10.677 1.00 0.00 C ATOM 405 C THR A 31 -0.336 8.328 -10.343 1.00 0.00 C ATOM 406 O THR A 31 -0.839 9.087 -11.150 1.00 0.00 O ATOM 407 CB THR A 31 -0.381 6.562 -12.169 1.00 0.00 C ATOM 408 OG1 THR A 31 -1.563 5.773 -12.323 1.00 0.00 O ATOM 409 CG2 THR A 31 0.814 5.816 -12.772 1.00 0.00 C ATOM 0 H THR A 31 -1.854 5.638 -10.442 1.00 0.00 H new ATOM 0 HA THR A 31 0.930 6.622 -10.424 1.00 0.00 H new ATOM 0 HB THR A 31 -0.526 7.511 -12.686 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.722 5.605 -13.275 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.623 5.615 -13.826 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.711 6.428 -12.676 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.959 4.874 -12.243 1.00 0.00 H new ATOM 417 N ASN A 32 0.037 8.744 -9.159 1.00 0.00 N ATOM 418 CA ASN A 32 -0.143 10.178 -8.771 1.00 0.00 C ATOM 419 C ASN A 32 1.102 10.675 -8.029 1.00 0.00 C ATOM 420 O ASN A 32 2.030 9.925 -7.779 1.00 0.00 O ATOM 421 CB ASN A 32 -1.384 10.215 -7.868 1.00 0.00 C ATOM 422 CG ASN A 32 -1.088 9.552 -6.524 1.00 0.00 C ATOM 423 OD1 ASN A 32 -0.379 10.097 -5.706 1.00 0.00 O ATOM 424 ND2 ASN A 32 -1.608 8.389 -6.257 1.00 0.00 N ATOM 0 H ASN A 32 0.459 8.153 -8.443 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.276 10.827 -9.637 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.695 11.248 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.213 9.704 -8.358 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.418 7.939 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.205 7.928 -6.943 1.00 0.00 H new ATOM 431 N TRP A 33 1.141 11.938 -7.694 1.00 0.00 N ATOM 432 CA TRP A 33 2.337 12.492 -6.987 1.00 0.00 C ATOM 433 C TRP A 33 1.900 13.439 -5.865 1.00 0.00 C ATOM 434 O TRP A 33 2.234 13.244 -4.712 1.00 0.00 O ATOM 435 CB TRP A 33 3.163 13.265 -8.050 1.00 0.00 C ATOM 436 CG TRP A 33 2.527 13.156 -9.404 1.00 0.00 C ATOM 437 CD1 TRP A 33 1.656 14.040 -9.932 1.00 0.00 C ATOM 438 CD2 TRP A 33 2.689 12.104 -10.387 1.00 0.00 C ATOM 439 NE1 TRP A 33 1.272 13.592 -11.182 1.00 0.00 N ATOM 440 CE2 TRP A 33 1.880 12.403 -11.511 1.00 0.00 C ATOM 441 CE3 TRP A 33 3.451 10.928 -10.410 1.00 0.00 C ATOM 442 CZ2 TRP A 33 1.834 11.560 -12.619 1.00 0.00 C ATOM 443 CZ3 TRP A 33 3.409 10.076 -11.522 1.00 0.00 C ATOM 444 CH2 TRP A 33 2.599 10.391 -12.627 1.00 0.00 C ATOM 0 H TRP A 33 0.397 12.611 -7.879 1.00 0.00 H new ATOM 0 HA TRP A 33 2.927 11.696 -6.533 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.241 14.314 -7.764 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.178 12.868 -8.087 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.315 14.948 -9.457 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.616 14.084 -11.788 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.075 10.677 -9.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 1.211 11.808 -13.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.002 9.173 -11.530 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.568 9.730 -13.481 1.00 0.00 H new ATOM 455 N ILE A 34 1.166 14.471 -6.199 1.00 0.00 N ATOM 456 CA ILE A 34 0.712 15.450 -5.160 1.00 0.00 C ATOM 457 C ILE A 34 -0.801 15.320 -4.896 1.00 0.00 C ATOM 458 O ILE A 34 -1.328 15.917 -3.975 1.00 0.00 O ATOM 459 CB ILE A 34 1.031 16.842 -5.745 1.00 0.00 C ATOM 460 CG1 ILE A 34 2.381 16.818 -6.482 1.00 0.00 C ATOM 461 CG2 ILE A 34 1.097 17.869 -4.614 1.00 0.00 C ATOM 462 CD1 ILE A 34 2.671 18.200 -7.072 1.00 0.00 C ATOM 0 H ILE A 34 0.860 14.679 -7.149 1.00 0.00 H new ATOM 0 HA ILE A 34 1.211 15.276 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 34 0.245 17.113 -6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.177 16.531 -5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.360 16.070 -7.275 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.322 18.852 -5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.138 17.904 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.878 17.584 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.628 18.180 -7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.881 18.469 -7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.711 18.937 -6.270 1.00 0.00 H new ATOM 474 N LEU A 35 -1.505 14.556 -5.695 1.00 0.00 N ATOM 475 CA LEU A 35 -2.978 14.407 -5.488 1.00 0.00 C ATOM 476 C LEU A 35 -3.258 13.486 -4.290 1.00 0.00 C ATOM 477 O LEU A 35 -2.727 12.400 -4.214 1.00 0.00 O ATOM 478 CB LEU A 35 -3.506 13.781 -6.785 1.00 0.00 C ATOM 479 CG LEU A 35 -4.827 14.449 -7.183 1.00 0.00 C ATOM 480 CD1 LEU A 35 -4.539 15.788 -7.863 1.00 0.00 C ATOM 481 CD2 LEU A 35 -5.582 13.539 -8.152 1.00 0.00 C ATOM 0 H LEU A 35 -1.123 14.030 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.460 15.361 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.773 13.901 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.656 12.710 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.432 14.618 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.479 16.262 -8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.998 16.437 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.935 15.621 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.522 14.011 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.975 13.372 -9.042 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.788 12.584 -7.669 1.00 0.00 H new ATOM 493 N PRO A 36 -4.094 13.957 -3.391 1.00 0.00 N ATOM 494 CA PRO A 36 -4.449 13.155 -2.192 1.00 0.00 C ATOM 495 C PRO A 36 -5.393 11.995 -2.565 1.00 0.00 C ATOM 496 O PRO A 36 -6.511 12.202 -3.009 1.00 0.00 O ATOM 497 CB PRO A 36 -5.148 14.161 -1.281 1.00 0.00 C ATOM 498 CG PRO A 36 -5.683 15.215 -2.198 1.00 0.00 C ATOM 499 CD PRO A 36 -4.777 15.258 -3.405 1.00 0.00 C ATOM 0 HA PRO A 36 -3.583 12.690 -1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.950 13.688 -0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.453 14.585 -0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.707 14.985 -2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.706 16.184 -1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.345 15.399 -4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.066 16.082 -3.340 1.00 0.00 H new ATOM 507 N GLY A 37 -4.949 10.778 -2.384 1.00 0.00 N ATOM 508 CA GLY A 37 -5.810 9.602 -2.717 1.00 0.00 C ATOM 509 C GLY A 37 -6.083 8.797 -1.451 1.00 0.00 C ATOM 510 O GLY A 37 -7.211 8.684 -1.009 1.00 0.00 O ATOM 0 H GLY A 37 -4.025 10.547 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.749 9.938 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.317 8.975 -3.460 1.00 0.00 H new ATOM 514 N CYS A 38 -5.056 8.230 -0.864 1.00 0.00 N ATOM 515 CA CYS A 38 -5.242 7.425 0.382 1.00 0.00 C ATOM 516 C CYS A 38 -4.043 7.597 1.325 1.00 0.00 C ATOM 517 O CYS A 38 -2.944 7.827 0.841 1.00 0.00 O ATOM 518 CB CYS A 38 -5.364 5.963 -0.088 1.00 0.00 C ATOM 519 SG CYS A 38 -3.874 5.477 -1.007 1.00 0.00 S ATOM 520 OXT CYS A 38 -4.243 7.506 2.520 1.00 0.00 O ATOM 0 H CYS A 38 -4.094 8.291 -1.197 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.122 7.743 0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.501 5.307 0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.244 5.848 -0.720 1.00 0.00 H new TER 525 CYS A 38