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+ -132:sc= 0.146 (180deg=0) USER MOD Single : A 2 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=0.000804 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= -8.97! C(o=-9!,f=-13!) USER MOD Single : A 20 ASN : amide:sc= -0.748 K(o=-0.75,f=-5.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00346 USER MOD Single : A 29 HYP OD1 : rot -56:sc= 0.0455 USER MOD Single : A 30 SER OG : rot 170:sc= -0.0115 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 32 ASN : amide:sc= 0.218 K(o=0.22,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.742 -6.639 -6.218 1.00 0.00 N ATOM 2 CA GLY A 1 15.371 -6.979 -4.811 1.00 0.00 C ATOM 3 C GLY A 1 13.880 -6.691 -4.588 1.00 0.00 C ATOM 4 O GLY A 1 13.189 -6.284 -5.502 1.00 0.00 O ATOM 0 H1 GLY A 1 16.284 -7.423 -6.633 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.879 -6.481 -6.776 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.321 -5.775 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.583 -8.030 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.973 -6.395 -4.114 1.00 0.00 H new HETATM 10 N HYP A 2 13.428 -6.921 -3.380 1.00 0.00 N HETATM 11 CA HYP A 2 11.999 -6.688 -3.036 1.00 0.00 C HETATM 12 C HYP A 2 11.674 -5.190 -3.042 1.00 0.00 C HETATM 13 O HYP A 2 12.516 -4.363 -2.748 1.00 0.00 O HETATM 14 CB HYP A 2 11.877 -7.261 -1.627 1.00 0.00 C HETATM 15 CG HYP A 2 13.259 -7.191 -1.059 1.00 0.00 C HETATM 16 CD HYP A 2 14.191 -7.414 -2.224 1.00 0.00 C HETATM 17 OD1 HYP A 2 13.454 -8.170 -0.038 1.00 0.00 O HETATM 0 HD23 HYP A 2 14.449 -8.467 -2.334 1.00 0.00 H new HETATM 0 HD22 HYP A 2 15.126 -6.868 -2.099 1.00 0.00 H new HETATM 0 HG HYP A 2 13.444 -6.229 -0.581 1.00 0.00 H new HETATM 0 HD1 HYP A 2 14.367 -8.100 0.312 1.00 0.00 H new HETATM 0 HB3 HYP A 2 11.174 -6.684 -1.026 1.00 0.00 H new HETATM 0 HB2 HYP A 2 11.511 -8.287 -1.649 1.00 0.00 H new HETATM 0 HA HYP A 2 11.310 -7.147 -3.745 1.00 0.00 H new ATOM 25 N SER A 3 10.458 -4.838 -3.370 1.00 0.00 N ATOM 26 CA SER A 3 10.071 -3.391 -3.393 1.00 0.00 C ATOM 27 C SER A 3 9.274 -3.031 -2.129 1.00 0.00 C ATOM 28 O SER A 3 9.559 -2.048 -1.465 1.00 0.00 O ATOM 29 CB SER A 3 9.197 -3.210 -4.647 1.00 0.00 C ATOM 30 OG SER A 3 9.436 -4.270 -5.573 1.00 0.00 O ATOM 0 H SER A 3 9.714 -5.488 -3.623 1.00 0.00 H new ATOM 0 HA SER A 3 10.946 -2.742 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.144 -3.194 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.416 -2.251 -5.117 1.00 0.00 H new ATOM 0 HG SER A 3 8.873 -4.145 -6.366 1.00 0.00 H new ATOM 36 N PHE A 4 8.274 -3.810 -1.789 1.00 0.00 N ATOM 37 CA PHE A 4 7.464 -3.491 -0.569 1.00 0.00 C ATOM 38 C PHE A 4 7.713 -4.525 0.534 1.00 0.00 C ATOM 39 O PHE A 4 8.605 -5.344 0.443 1.00 0.00 O ATOM 40 CB PHE A 4 6.003 -3.525 -1.032 1.00 0.00 C ATOM 41 CG PHE A 4 5.750 -2.380 -1.990 1.00 0.00 C ATOM 42 CD1 PHE A 4 6.272 -1.104 -1.720 1.00 0.00 C ATOM 43 CD2 PHE A 4 4.995 -2.592 -3.149 1.00 0.00 C ATOM 44 CE1 PHE A 4 6.041 -0.051 -2.610 1.00 0.00 C ATOM 45 CE2 PHE A 4 4.765 -1.537 -4.037 1.00 0.00 C ATOM 46 CZ PHE A 4 5.287 -0.267 -3.767 1.00 0.00 C ATOM 0 H PHE A 4 7.985 -4.645 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 4 7.730 -2.522 -0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.787 -4.476 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.336 -3.449 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.852 -0.936 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.590 -3.571 -3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.445 0.929 -2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.184 -1.702 -4.932 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.107 0.547 -4.453 1.00 0.00 H new ATOM 56 N CYS A 5 6.931 -4.481 1.580 1.00 0.00 N ATOM 57 CA CYS A 5 7.126 -5.445 2.709 1.00 0.00 C ATOM 58 C CYS A 5 6.012 -6.496 2.738 1.00 0.00 C ATOM 59 O CYS A 5 6.271 -7.680 2.685 1.00 0.00 O ATOM 60 CB CYS A 5 7.080 -4.604 4.002 1.00 0.00 C ATOM 61 SG CYS A 5 7.064 -2.828 3.625 1.00 0.00 S ATOM 0 H CYS A 5 6.164 -3.820 1.704 1.00 0.00 H new ATOM 0 HA CYS A 5 8.070 -5.980 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.192 -4.865 4.578 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.944 -4.839 4.624 1.00 0.00 H new ATOM 66 N LYS A 6 4.775 -6.077 2.845 1.00 0.00 N ATOM 67 CA LYS A 6 3.662 -7.071 2.906 1.00 0.00 C ATOM 68 C LYS A 6 3.426 -7.696 1.530 1.00 0.00 C ATOM 69 O LYS A 6 3.592 -8.888 1.345 1.00 0.00 O ATOM 70 CB LYS A 6 2.431 -6.281 3.367 1.00 0.00 C ATOM 71 CG LYS A 6 2.699 -5.649 4.744 1.00 0.00 C ATOM 72 CD LYS A 6 2.469 -6.690 5.848 1.00 0.00 C ATOM 73 CE LYS A 6 3.669 -6.710 6.810 1.00 0.00 C ATOM 74 NZ LYS A 6 3.391 -5.651 7.828 1.00 0.00 N ATOM 0 H LYS A 6 4.491 -5.099 2.892 1.00 0.00 H new ATOM 0 HA LYS A 6 3.887 -7.892 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.194 -5.504 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.565 -6.940 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.722 -5.277 4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.041 -4.793 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.557 -6.455 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.330 -7.677 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.777 -7.687 7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.599 -6.508 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.173 -5.614 8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.302 -4.729 7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.505 -5.872 8.325 1.00 0.00 H new ATOM 88 N ALA A 7 3.050 -6.897 0.567 1.00 0.00 N ATOM 89 CA ALA A 7 2.803 -7.434 -0.812 1.00 0.00 C ATOM 90 C ALA A 7 2.460 -6.298 -1.789 1.00 0.00 C ATOM 91 O ALA A 7 2.534 -5.132 -1.446 1.00 0.00 O ATOM 92 CB ALA A 7 1.608 -8.379 -0.672 1.00 0.00 C ATOM 0 H ALA A 7 2.902 -5.893 0.672 1.00 0.00 H new ATOM 0 HA ALA A 7 3.686 -7.938 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.369 -8.810 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.855 -9.177 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.747 -7.824 -0.300 1.00 0.00 H new ATOM 98 N ASP A 8 2.076 -6.646 -3.000 1.00 0.00 N ATOM 99 CA ASP A 8 1.706 -5.628 -4.028 1.00 0.00 C ATOM 100 C ASP A 8 0.806 -6.287 -5.075 1.00 0.00 C ATOM 101 O ASP A 8 0.833 -7.495 -5.244 1.00 0.00 O ATOM 102 CB ASP A 8 3.037 -5.184 -4.645 1.00 0.00 C ATOM 103 CG ASP A 8 2.837 -3.928 -5.498 1.00 0.00 C ATOM 104 OD1 ASP A 8 2.046 -3.083 -5.114 1.00 0.00 O ATOM 105 OD2 ASP A 8 3.494 -3.828 -6.521 1.00 0.00 O ATOM 0 H ASP A 8 2.004 -7.612 -3.319 1.00 0.00 H new ATOM 0 HA ASP A 8 1.161 -4.778 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.762 -4.984 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.447 -5.987 -5.258 1.00 0.00 H new ATOM 110 N GLU A 9 -0.017 -5.509 -5.740 1.00 0.00 N ATOM 111 CA GLU A 9 -0.970 -6.078 -6.752 1.00 0.00 C ATOM 112 C GLU A 9 -1.782 -7.224 -6.127 1.00 0.00 C ATOM 113 O GLU A 9 -2.334 -8.056 -6.821 1.00 0.00 O ATOM 114 CB GLU A 9 -0.104 -6.596 -7.900 1.00 0.00 C ATOM 115 CG GLU A 9 0.422 -5.417 -8.734 1.00 0.00 C ATOM 116 CD GLU A 9 0.788 -5.903 -10.136 1.00 0.00 C ATOM 117 OE1 GLU A 9 -0.113 -6.284 -10.862 1.00 0.00 O ATOM 118 OE2 GLU A 9 1.962 -5.890 -10.457 1.00 0.00 O ATOM 0 H GLU A 9 -0.071 -4.497 -5.625 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.683 -5.331 -7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.731 -7.174 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.686 -7.268 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.335 -4.635 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.295 -4.978 -8.251 1.00 0.00 H new ATOM 125 N LYS A 10 -1.858 -7.264 -4.819 1.00 0.00 N ATOM 126 CA LYS A 10 -2.628 -8.337 -4.133 1.00 0.00 C ATOM 127 C LYS A 10 -3.823 -7.705 -3.418 1.00 0.00 C ATOM 128 O LYS A 10 -3.697 -6.641 -2.829 1.00 0.00 O ATOM 129 CB LYS A 10 -1.651 -8.948 -3.120 1.00 0.00 C ATOM 130 CG LYS A 10 -1.954 -10.441 -2.933 1.00 0.00 C ATOM 131 CD LYS A 10 -0.641 -11.236 -2.904 1.00 0.00 C ATOM 132 CE LYS A 10 -0.298 -11.617 -1.458 1.00 0.00 C ATOM 133 NZ LYS A 10 0.938 -12.447 -1.554 1.00 0.00 N ATOM 0 H LYS A 10 -1.414 -6.590 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.011 -9.093 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.626 -8.817 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.733 -8.429 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.505 -10.597 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.588 -10.798 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.735 -12.134 -3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.165 -10.641 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.130 -10.730 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.112 -12.175 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.232 -12.744 -0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.747 -13.288 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.698 -11.888 -1.992 1.00 0.00 H new HETATM 147 N HYP A 11 -4.948 -8.356 -3.498 1.00 0.00 N HETATM 148 CA HYP A 11 -6.171 -7.826 -2.855 1.00 0.00 C HETATM 149 C HYP A 11 -6.043 -7.779 -1.327 1.00 0.00 C HETATM 150 O HYP A 11 -5.330 -8.556 -0.721 1.00 0.00 O HETATM 151 CB HYP A 11 -7.262 -8.787 -3.306 1.00 0.00 C HETATM 152 CG HYP A 11 -6.547 -10.055 -3.638 1.00 0.00 C HETATM 153 CD HYP A 11 -5.202 -9.631 -4.176 1.00 0.00 C HETATM 154 OD1 HYP A 11 -7.269 -10.837 -4.594 1.00 0.00 O HETATM 0 HD23 HYP A 11 -5.222 -9.512 -5.259 1.00 0.00 H new HETATM 0 HD22 HYP A 11 -4.430 -10.366 -3.950 1.00 0.00 H new HETATM 0 HG HYP A 11 -6.446 -10.693 -2.760 1.00 0.00 H new HETATM 0 HD1 HYP A 11 -6.771 -11.658 -4.788 1.00 0.00 H new HETATM 0 HB3 HYP A 11 -8.000 -8.944 -2.519 1.00 0.00 H new HETATM 0 HB2 HYP A 11 -7.798 -8.398 -4.172 1.00 0.00 H new HETATM 0 HA HYP A 11 -6.379 -6.795 -3.140 1.00 0.00 H new ATOM 162 N CYS A 12 -6.736 -6.862 -0.710 1.00 0.00 N ATOM 163 CA CYS A 12 -6.688 -6.722 0.777 1.00 0.00 C ATOM 164 C CYS A 12 -7.994 -6.069 1.264 1.00 0.00 C ATOM 165 O CYS A 12 -8.968 -6.017 0.532 1.00 0.00 O ATOM 166 CB CYS A 12 -5.482 -5.815 1.048 1.00 0.00 C ATOM 167 SG CYS A 12 -5.786 -4.173 0.334 1.00 0.00 S ATOM 0 H CYS A 12 -7.344 -6.192 -1.180 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.591 -7.676 1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.311 -5.731 2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.581 -6.250 0.615 1.00 0.00 H new ATOM 172 N GLU A 13 -8.031 -5.560 2.470 1.00 0.00 N ATOM 173 CA GLU A 13 -9.288 -4.910 2.959 1.00 0.00 C ATOM 174 C GLU A 13 -9.028 -3.448 3.348 1.00 0.00 C ATOM 175 O GLU A 13 -9.802 -2.566 3.008 1.00 0.00 O ATOM 176 CB GLU A 13 -9.781 -5.730 4.173 1.00 0.00 C ATOM 177 CG GLU A 13 -8.609 -6.301 4.992 1.00 0.00 C ATOM 178 CD GLU A 13 -9.156 -7.274 6.039 1.00 0.00 C ATOM 179 OE1 GLU A 13 -9.688 -8.299 5.643 1.00 0.00 O ATOM 180 OE2 GLU A 13 -9.044 -6.984 7.216 1.00 0.00 O ATOM 0 H GLU A 13 -7.255 -5.565 3.132 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.046 -4.897 2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.397 -5.098 4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.414 -6.547 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.905 -6.812 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.062 -5.494 5.479 1.00 0.00 H new ATOM 187 N TYR A 14 -7.952 -3.175 4.048 1.00 0.00 N ATOM 188 CA TYR A 14 -7.659 -1.762 4.440 1.00 0.00 C ATOM 189 C TYR A 14 -6.275 -1.337 3.934 1.00 0.00 C ATOM 190 O TYR A 14 -5.514 -2.137 3.420 1.00 0.00 O ATOM 191 CB TYR A 14 -7.711 -1.742 5.972 1.00 0.00 C ATOM 192 CG TYR A 14 -9.121 -1.420 6.422 1.00 0.00 C ATOM 193 CD1 TYR A 14 -9.670 -0.157 6.160 1.00 0.00 C ATOM 194 CD2 TYR A 14 -9.882 -2.382 7.099 1.00 0.00 C ATOM 195 CE1 TYR A 14 -10.978 0.140 6.569 1.00 0.00 C ATOM 196 CE2 TYR A 14 -11.189 -2.085 7.505 1.00 0.00 C ATOM 197 CZ TYR A 14 -11.735 -0.824 7.241 1.00 0.00 C ATOM 198 OH TYR A 14 -13.025 -0.535 7.642 1.00 0.00 O ATOM 0 H TYR A 14 -7.270 -3.865 4.362 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.375 -1.064 4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.402 -2.708 6.370 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.014 -0.999 6.361 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.085 0.588 5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.460 -3.354 7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.400 1.113 6.365 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.776 -2.830 8.022 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.410 -1.315 8.094 1.00 0.00 H new ATOM 208 N HIS A 15 -5.945 -0.079 4.071 1.00 0.00 N ATOM 209 CA HIS A 15 -4.612 0.414 3.588 1.00 0.00 C ATOM 210 C HIS A 15 -3.504 0.129 4.614 1.00 0.00 C ATOM 211 O HIS A 15 -2.333 0.210 4.300 1.00 0.00 O ATOM 212 CB HIS A 15 -4.777 1.934 3.389 1.00 0.00 C ATOM 213 CG HIS A 15 -5.746 2.214 2.272 1.00 0.00 C ATOM 214 ND1 HIS A 15 -7.117 2.118 2.439 1.00 0.00 N ATOM 215 CD2 HIS A 15 -5.555 2.607 0.970 1.00 0.00 C ATOM 216 CE1 HIS A 15 -7.691 2.445 1.269 1.00 0.00 C ATOM 217 NE2 HIS A 15 -6.787 2.753 0.341 1.00 0.00 N ATOM 0 H HIS A 15 -6.539 0.632 4.497 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.319 -0.091 2.668 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.134 2.392 4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.811 2.385 3.162 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.603 1.848 3.294 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.595 2.777 0.505 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.758 2.457 1.101 1.00 0.00 H new ATOM 225 N ALA A 16 -3.854 -0.190 5.836 1.00 0.00 N ATOM 226 CA ALA A 16 -2.811 -0.459 6.878 1.00 0.00 C ATOM 227 C ALA A 16 -2.104 -1.810 6.670 1.00 0.00 C ATOM 228 O ALA A 16 -1.108 -2.087 7.309 1.00 0.00 O ATOM 229 CB ALA A 16 -3.576 -0.464 8.197 1.00 0.00 C ATOM 0 H ALA A 16 -4.818 -0.276 6.158 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.021 0.291 6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.885 -0.655 9.018 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.055 0.504 8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.336 -1.245 8.174 1.00 0.00 H new ATOM 235 N ASP A 17 -2.596 -2.661 5.804 1.00 0.00 N ATOM 236 CA ASP A 17 -1.919 -3.985 5.606 1.00 0.00 C ATOM 237 C ASP A 17 -0.947 -3.931 4.418 1.00 0.00 C ATOM 238 O ASP A 17 -0.964 -4.786 3.557 1.00 0.00 O ATOM 239 CB ASP A 17 -3.053 -4.981 5.333 1.00 0.00 C ATOM 240 CG ASP A 17 -2.596 -6.396 5.688 1.00 0.00 C ATOM 241 OD1 ASP A 17 -2.213 -6.608 6.826 1.00 0.00 O ATOM 242 OD2 ASP A 17 -2.636 -7.246 4.821 1.00 0.00 O ATOM 0 H ASP A 17 -3.425 -2.502 5.232 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.327 -4.270 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.932 -4.715 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.344 -4.936 4.284 1.00 0.00 H new ATOM 247 N CYS A 18 -0.091 -2.940 4.365 1.00 0.00 N ATOM 248 CA CYS A 18 0.889 -2.842 3.229 1.00 0.00 C ATOM 249 C CYS A 18 1.838 -1.654 3.450 1.00 0.00 C ATOM 250 O CYS A 18 1.801 -1.006 4.478 1.00 0.00 O ATOM 251 CB CYS A 18 0.035 -2.625 1.968 1.00 0.00 C ATOM 252 SG CYS A 18 0.026 -4.141 0.976 1.00 0.00 S ATOM 0 H CYS A 18 -0.026 -2.193 5.057 1.00 0.00 H new ATOM 0 HA CYS A 18 1.509 -3.735 3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.983 -2.355 2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.435 -1.797 1.383 1.00 0.00 H new ATOM 257 N CYS A 19 2.693 -1.370 2.500 1.00 0.00 N ATOM 258 CA CYS A 19 3.651 -0.225 2.667 1.00 0.00 C ATOM 259 C CYS A 19 3.448 0.820 1.567 1.00 0.00 C ATOM 260 O CYS A 19 4.358 1.547 1.210 1.00 0.00 O ATOM 261 CB CYS A 19 5.035 -0.851 2.550 1.00 0.00 C ATOM 262 SG CYS A 19 5.099 -2.367 3.539 1.00 0.00 S ATOM 0 H CYS A 19 2.772 -1.877 1.618 1.00 0.00 H new ATOM 0 HA CYS A 19 3.506 0.289 3.617 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.257 -1.075 1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.794 -0.148 2.893 1.00 0.00 H new ATOM 267 N ASN A 20 2.262 0.892 1.029 1.00 0.00 N ATOM 268 CA ASN A 20 1.967 1.878 -0.061 1.00 0.00 C ATOM 269 C ASN A 20 0.505 2.352 0.048 1.00 0.00 C ATOM 270 O ASN A 20 0.186 3.180 0.881 1.00 0.00 O ATOM 271 CB ASN A 20 2.215 1.122 -1.383 1.00 0.00 C ATOM 272 CG ASN A 20 1.787 -0.346 -1.241 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.614 -0.634 -1.129 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.687 -1.288 -1.210 1.00 0.00 N ATOM 0 H ASN A 20 1.473 0.305 1.298 1.00 0.00 H new ATOM 0 HA ASN A 20 2.593 2.768 0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.657 1.595 -2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.270 1.177 -1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.403 -2.261 -1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.675 -1.053 -1.304 1.00 0.00 H new ATOM 281 N CYS A 21 -0.390 1.844 -0.765 1.00 0.00 N ATOM 282 CA CYS A 21 -1.814 2.285 -0.673 1.00 0.00 C ATOM 283 C CYS A 21 -2.755 1.140 -1.079 1.00 0.00 C ATOM 284 O CYS A 21 -2.960 0.877 -2.248 1.00 0.00 O ATOM 285 CB CYS A 21 -1.917 3.458 -1.655 1.00 0.00 C ATOM 286 SG CYS A 21 -3.421 4.406 -1.317 1.00 0.00 S ATOM 0 H CYS A 21 -0.196 1.147 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.101 2.573 0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.042 4.101 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.932 3.087 -2.680 1.00 0.00 H new ATOM 291 N CYS A 22 -3.334 0.457 -0.126 1.00 0.00 N ATOM 292 CA CYS A 22 -4.265 -0.661 -0.476 1.00 0.00 C ATOM 293 C CYS A 22 -5.631 -0.070 -0.858 1.00 0.00 C ATOM 294 O CYS A 22 -6.527 0.007 -0.042 1.00 0.00 O ATOM 295 CB CYS A 22 -4.379 -1.535 0.787 1.00 0.00 C ATOM 296 SG CYS A 22 -3.985 -3.258 0.381 1.00 0.00 S ATOM 0 H CYS A 22 -3.205 0.622 0.872 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.908 -1.252 -1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.699 -1.169 1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.387 -1.470 1.196 1.00 0.00 H new ATOM 301 N LEU A 23 -5.791 0.359 -2.087 1.00 0.00 N ATOM 302 CA LEU A 23 -7.099 0.956 -2.503 1.00 0.00 C ATOM 303 C LEU A 23 -8.080 -0.149 -2.883 1.00 0.00 C ATOM 304 O LEU A 23 -7.751 -1.305 -2.791 1.00 0.00 O ATOM 305 CB LEU A 23 -6.773 1.845 -3.705 1.00 0.00 C ATOM 306 CG LEU A 23 -7.166 3.286 -3.382 1.00 0.00 C ATOM 307 CD1 LEU A 23 -6.269 3.837 -2.273 1.00 0.00 C ATOM 308 CD2 LEU A 23 -6.998 4.144 -4.632 1.00 0.00 C ATOM 0 H LEU A 23 -5.078 0.322 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.568 1.529 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.710 1.788 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.311 1.497 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.204 3.308 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.556 4.864 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.381 3.226 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.230 3.814 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.277 5.173 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.958 4.113 -4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.638 3.760 -5.426 1.00 0.00 H new ATOM 320 N SER A 24 -9.268 0.218 -3.306 1.00 0.00 N ATOM 321 CA SER A 24 -10.352 -0.758 -3.706 1.00 0.00 C ATOM 322 C SER A 24 -9.984 -2.248 -3.510 1.00 0.00 C ATOM 323 O SER A 24 -9.994 -3.027 -4.444 1.00 0.00 O ATOM 324 CB SER A 24 -10.588 -0.466 -5.185 1.00 0.00 C ATOM 325 OG SER A 24 -10.685 0.942 -5.373 1.00 0.00 O ATOM 0 H SER A 24 -9.547 1.195 -3.396 1.00 0.00 H new ATOM 0 HA SER A 24 -11.228 -0.620 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.771 -0.870 -5.783 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.502 -0.954 -5.523 1.00 0.00 H new ATOM 0 HG SER A 24 -10.835 1.136 -6.322 1.00 0.00 H new ATOM 331 N GLY A 25 -9.698 -2.640 -2.292 1.00 0.00 N ATOM 332 CA GLY A 25 -9.371 -4.071 -1.992 1.00 0.00 C ATOM 333 C GLY A 25 -8.068 -4.550 -2.660 1.00 0.00 C ATOM 334 O GLY A 25 -7.907 -5.733 -2.848 1.00 0.00 O ATOM 0 H GLY A 25 -9.677 -2.021 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.286 -4.199 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.195 -4.702 -2.324 1.00 0.00 H new ATOM 338 N ILE A 26 -7.129 -3.683 -2.992 1.00 0.00 N ATOM 339 CA ILE A 26 -5.838 -4.166 -3.624 1.00 0.00 C ATOM 340 C ILE A 26 -4.650 -3.385 -3.061 1.00 0.00 C ATOM 341 O ILE A 26 -4.769 -2.217 -2.756 1.00 0.00 O ATOM 342 CB ILE A 26 -5.923 -3.886 -5.133 1.00 0.00 C ATOM 343 CG1 ILE A 26 -7.376 -3.879 -5.620 1.00 0.00 C ATOM 344 CG2 ILE A 26 -5.131 -4.957 -5.894 1.00 0.00 C ATOM 345 CD1 ILE A 26 -7.921 -5.309 -5.701 1.00 0.00 C ATOM 0 H ILE A 26 -7.195 -2.674 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.702 -5.228 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.499 -2.900 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.990 -3.287 -4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.435 -3.405 -6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.190 -4.761 -6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.088 -4.932 -5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.552 -5.940 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.954 -5.286 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.317 -5.890 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.881 -5.770 -4.714 1.00 0.00 H new ATOM 357 N CYS A 27 -3.493 -4.002 -2.951 1.00 0.00 N ATOM 358 CA CYS A 27 -2.303 -3.260 -2.436 1.00 0.00 C ATOM 359 C CYS A 27 -1.493 -2.719 -3.618 1.00 0.00 C ATOM 360 O CYS A 27 -0.837 -3.472 -4.312 1.00 0.00 O ATOM 361 CB CYS A 27 -1.480 -4.288 -1.650 1.00 0.00 C ATOM 362 SG CYS A 27 -0.028 -3.480 -0.933 1.00 0.00 S ATOM 0 H CYS A 27 -3.326 -4.978 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.583 -2.414 -1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.089 -4.731 -0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.170 -5.100 -2.307 1.00 0.00 H new ATOM 367 N ALA A 28 -1.543 -1.431 -3.856 1.00 0.00 N ATOM 368 CA ALA A 28 -0.776 -0.847 -4.999 1.00 0.00 C ATOM 369 C ALA A 28 -0.078 0.458 -4.577 1.00 0.00 C ATOM 370 O ALA A 28 -0.487 1.099 -3.625 1.00 0.00 O ATOM 371 CB ALA A 28 -1.825 -0.562 -6.076 1.00 0.00 C ATOM 0 H ALA A 28 -2.081 -0.760 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 28 0.005 -1.522 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.340 -0.130 -6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.320 -1.492 -6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.564 0.139 -5.688 1.00 0.00 H new HETATM 377 N HYP A 29 0.958 0.804 -5.298 1.00 0.00 N HETATM 378 CA HYP A 29 1.718 2.040 -5.001 1.00 0.00 C HETATM 379 C HYP A 29 0.989 3.274 -5.550 1.00 0.00 C HETATM 380 O HYP A 29 0.255 3.194 -6.520 1.00 0.00 O HETATM 381 CB HYP A 29 3.034 1.833 -5.738 1.00 0.00 C HETATM 382 CG HYP A 29 2.727 0.888 -6.861 1.00 0.00 C HETATM 383 CD HYP A 29 1.520 0.074 -6.441 1.00 0.00 C HETATM 384 OD1 HYP A 29 2.483 1.597 -8.082 1.00 0.00 O HETATM 0 HD23 HYP A 29 1.804 -0.941 -6.162 1.00 0.00 H new HETATM 0 HD22 HYP A 29 0.797 -0.009 -7.252 1.00 0.00 H new HETATM 0 HG HYP A 29 3.576 0.233 -7.055 1.00 0.00 H new HETATM 0 HD1 HYP A 29 1.765 2.249 -7.944 1.00 0.00 H new HETATM 0 HB3 HYP A 29 3.423 2.778 -6.117 1.00 0.00 H new HETATM 0 HB2 HYP A 29 3.793 1.419 -5.075 1.00 0.00 H new HETATM 0 HA HYP A 29 1.845 2.211 -3.932 1.00 0.00 H new ATOM 392 N SER A 30 1.194 4.411 -4.947 1.00 0.00 N ATOM 393 CA SER A 30 0.524 5.654 -5.438 1.00 0.00 C ATOM 394 C SER A 30 1.556 6.786 -5.573 1.00 0.00 C ATOM 395 O SER A 30 2.742 6.584 -5.368 1.00 0.00 O ATOM 396 CB SER A 30 -0.530 5.987 -4.373 1.00 0.00 C ATOM 397 OG SER A 30 0.030 5.829 -3.072 1.00 0.00 O ATOM 0 H SER A 30 1.797 4.537 -4.134 1.00 0.00 H new ATOM 0 HA SER A 30 0.069 5.526 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.883 7.010 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.395 5.334 -4.488 1.00 0.00 H new ATOM 0 HG SER A 30 -0.587 6.194 -2.404 1.00 0.00 H new ATOM 403 N THR A 31 1.124 7.972 -5.915 1.00 0.00 N ATOM 404 CA THR A 31 2.083 9.111 -6.063 1.00 0.00 C ATOM 405 C THR A 31 2.480 9.659 -4.678 1.00 0.00 C ATOM 406 O THR A 31 2.132 10.768 -4.308 1.00 0.00 O ATOM 407 CB THR A 31 1.331 10.171 -6.886 1.00 0.00 C ATOM 408 OG1 THR A 31 -0.072 9.943 -6.804 1.00 0.00 O ATOM 409 CG2 THR A 31 1.769 10.085 -8.348 1.00 0.00 C ATOM 0 H THR A 31 0.148 8.203 -6.099 1.00 0.00 H new ATOM 0 HA THR A 31 3.009 8.810 -6.554 1.00 0.00 H new ATOM 0 HB THR A 31 1.560 11.160 -6.489 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.545 10.622 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.237 10.836 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.842 10.265 -8.418 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.541 9.093 -8.738 1.00 0.00 H new ATOM 417 N ASN A 32 3.207 8.886 -3.911 1.00 0.00 N ATOM 418 CA ASN A 32 3.634 9.348 -2.553 1.00 0.00 C ATOM 419 C ASN A 32 4.924 8.628 -2.138 1.00 0.00 C ATOM 420 O ASN A 32 5.552 7.954 -2.934 1.00 0.00 O ATOM 421 CB ASN A 32 2.478 8.978 -1.617 1.00 0.00 C ATOM 422 CG ASN A 32 2.455 9.952 -0.439 1.00 0.00 C ATOM 423 OD1 ASN A 32 3.308 9.894 0.426 1.00 0.00 O ATOM 424 ND2 ASN A 32 1.519 10.851 -0.373 1.00 0.00 N ATOM 0 H ASN A 32 3.525 7.951 -4.167 1.00 0.00 H new ATOM 0 HA ASN A 32 3.843 10.417 -2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.531 9.017 -2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.598 7.956 -1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.499 11.510 0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.805 10.898 -1.100 1.00 0.00 H new ATOM 431 N TRP A 33 5.332 8.775 -0.903 1.00 0.00 N ATOM 432 CA TRP A 33 6.595 8.107 -0.446 1.00 0.00 C ATOM 433 C TRP A 33 6.444 7.602 0.993 1.00 0.00 C ATOM 434 O TRP A 33 6.673 6.441 1.278 1.00 0.00 O ATOM 435 CB TRP A 33 7.715 9.171 -0.505 1.00 0.00 C ATOM 436 CG TRP A 33 7.192 10.474 -1.036 1.00 0.00 C ATOM 437 CD1 TRP A 33 6.735 11.496 -0.283 1.00 0.00 C ATOM 438 CD2 TRP A 33 7.060 10.894 -2.423 1.00 0.00 C ATOM 439 NE1 TRP A 33 6.333 12.520 -1.122 1.00 0.00 N ATOM 440 CE2 TRP A 33 6.513 12.196 -2.451 1.00 0.00 C ATOM 441 CE3 TRP A 33 7.356 10.270 -3.642 1.00 0.00 C ATOM 442 CZ2 TRP A 33 6.278 12.862 -3.655 1.00 0.00 C ATOM 443 CZ3 TRP A 33 7.122 10.933 -4.851 1.00 0.00 C ATOM 444 CH2 TRP A 33 6.577 12.224 -4.860 1.00 0.00 C ATOM 0 H TRP A 33 4.850 9.325 -0.192 1.00 0.00 H new ATOM 0 HA TRP A 33 6.825 7.251 -1.081 1.00 0.00 H new ATOM 0 HB2 TRP A 33 8.132 9.321 0.491 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.527 8.815 -1.140 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.690 11.512 0.796 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.950 13.408 -0.797 1.00 0.00 H new ATOM 0 HE3 TRP A 33 7.767 9.271 -3.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 5.869 13.861 -3.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 7.363 10.446 -5.785 1.00 0.00 H new ATOM 0 HH2 TRP A 33 6.389 12.725 -5.798 1.00 0.00 H new ATOM 455 N ILE A 34 6.088 8.470 1.908 1.00 0.00 N ATOM 456 CA ILE A 34 5.957 8.036 3.335 1.00 0.00 C ATOM 457 C ILE A 34 4.706 8.641 4.001 1.00 0.00 C ATOM 458 O ILE A 34 4.565 8.586 5.210 1.00 0.00 O ATOM 459 CB ILE A 34 7.229 8.546 4.054 1.00 0.00 C ATOM 460 CG1 ILE A 34 8.200 9.225 3.071 1.00 0.00 C ATOM 461 CG2 ILE A 34 7.945 7.370 4.719 1.00 0.00 C ATOM 462 CD1 ILE A 34 9.264 9.997 3.850 1.00 0.00 C ATOM 0 H ILE A 34 5.884 9.454 1.731 1.00 0.00 H new ATOM 0 HA ILE A 34 5.853 6.953 3.395 1.00 0.00 H new ATOM 0 HB ILE A 34 6.920 9.279 4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.672 8.476 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.654 9.902 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.841 7.729 5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.280 6.903 5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.225 6.639 3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.950 10.477 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.784 10.757 4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.818 9.309 4.488 1.00 0.00 H new ATOM 474 N LEU A 35 3.798 9.208 3.244 1.00 0.00 N ATOM 475 CA LEU A 35 2.573 9.798 3.875 1.00 0.00 C ATOM 476 C LEU A 35 1.533 8.698 4.113 1.00 0.00 C ATOM 477 O LEU A 35 1.039 8.105 3.172 1.00 0.00 O ATOM 478 CB LEU A 35 2.050 10.828 2.868 1.00 0.00 C ATOM 479 CG LEU A 35 1.155 11.845 3.580 1.00 0.00 C ATOM 480 CD1 LEU A 35 2.024 12.845 4.343 1.00 0.00 C ATOM 481 CD2 LEU A 35 0.316 12.598 2.547 1.00 0.00 C ATOM 0 H LEU A 35 3.849 9.288 2.228 1.00 0.00 H new ATOM 0 HA LEU A 35 2.785 10.258 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.886 11.338 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.489 10.326 2.079 1.00 0.00 H new ATOM 0 HG LEU A 35 0.499 11.322 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.386 13.569 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.627 12.315 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.679 13.365 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.321 13.322 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.975 13.118 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.305 11.891 1.997 1.00 0.00 H new ATOM 493 N PRO A 36 1.231 8.455 5.366 1.00 0.00 N ATOM 494 CA PRO A 36 0.239 7.410 5.717 1.00 0.00 C ATOM 495 C PRO A 36 -1.192 7.910 5.457 1.00 0.00 C ATOM 496 O PRO A 36 -1.974 8.090 6.377 1.00 0.00 O ATOM 497 CB PRO A 36 0.485 7.172 7.206 1.00 0.00 C ATOM 498 CG PRO A 36 1.093 8.440 7.719 1.00 0.00 C ATOM 499 CD PRO A 36 1.779 9.120 6.558 1.00 0.00 C ATOM 0 HA PRO A 36 0.344 6.501 5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.446 6.945 7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.153 6.325 7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.326 9.088 8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.807 8.228 8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.572 10.190 6.546 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.862 9.005 6.614 1.00 0.00 H new ATOM 507 N GLY A 37 -1.542 8.132 4.217 1.00 0.00 N ATOM 508 CA GLY A 37 -2.918 8.619 3.898 1.00 0.00 C ATOM 509 C GLY A 37 -3.330 8.124 2.508 1.00 0.00 C ATOM 510 O GLY A 37 -2.565 8.202 1.567 1.00 0.00 O ATOM 0 H GLY A 37 -0.934 7.997 3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.624 8.260 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.946 9.708 3.930 1.00 0.00 H new ATOM 514 N CYS A 38 -4.529 7.619 2.372 1.00 0.00 N ATOM 515 CA CYS A 38 -4.992 7.121 1.038 1.00 0.00 C ATOM 516 C CYS A 38 -6.470 7.474 0.818 1.00 0.00 C ATOM 517 O CYS A 38 -6.950 7.258 -0.278 1.00 0.00 O ATOM 518 CB CYS A 38 -4.816 5.601 1.090 1.00 0.00 C ATOM 519 SG CYS A 38 -3.147 5.148 0.543 1.00 0.00 S ATOM 520 OXT CYS A 38 -7.102 7.948 1.750 1.00 0.00 O ATOM 0 H CYS A 38 -5.209 7.529 3.127 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.429 7.571 0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.984 5.242 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.559 5.119 0.454 1.00 0.00 H new TER 525 CYS A 38