USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -171:sc= -0.0796 (180deg=-0.202) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= -0.0865 (180deg=-0.421) USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= 0.612 (180deg=-0.772!) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00924) USER MOD Single : A 11 THR OG1 : rot -130:sc= 0.568 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 86:sc= 1.19 USER MOD Single : A 20 GLN : amide:sc= 0.657 K(o=0.66,f=-0.026) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 32 THR OG1 : rot -41:sc= 0.867 USER MOD Single : A 37 LYS NZ :NH3+ -105:sc= 0.89 (180deg=0.0657) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.79 K(o=0.79,f=-0.0021) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -142:sc= -0.0245 (180deg=-0.213) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 79:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.0306 (180deg=-0.244) USER MOD Single : A 62 SER OG : rot 143:sc= 1.3 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.37! (180deg=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.104 -3.295 -3.897 1.00 0.00 N ATOM 2 CA GLY A 1 4.129 -2.923 -2.881 1.00 0.00 C ATOM 3 C GLY A 1 5.336 -2.241 -3.503 1.00 0.00 C ATOM 4 O GLY A 1 6.082 -1.533 -2.821 1.00 0.00 O ATOM 0 H1 GLY A 1 2.239 -3.616 -3.416 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.885 -2.468 -4.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.471 -4.061 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.680 -2.260 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.453 -3.818 -2.351 1.00 0.00 H new ATOM 7 N SER A 2 5.530 -2.463 -4.792 1.00 0.00 N ATOM 8 CA SER A 2 6.630 -1.861 -5.520 1.00 0.00 C ATOM 9 C SER A 2 6.109 -1.175 -6.775 1.00 0.00 C ATOM 10 O SER A 2 5.101 -1.600 -7.348 1.00 0.00 O ATOM 11 CB SER A 2 7.662 -2.924 -5.896 1.00 0.00 C ATOM 12 OG SER A 2 8.082 -3.650 -4.753 1.00 0.00 O ATOM 0 H SER A 2 4.932 -3.063 -5.360 1.00 0.00 H new ATOM 0 HA SER A 2 7.109 -1.119 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.234 -3.608 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.523 -2.450 -6.367 1.00 0.00 H new ATOM 0 HG SER A 2 8.741 -4.325 -5.018 1.00 0.00 H new ATOM 18 N GLY A 3 6.776 -0.117 -7.191 1.00 0.00 N ATOM 19 CA GLY A 3 6.353 0.599 -8.376 1.00 0.00 C ATOM 20 C GLY A 3 6.916 -0.005 -9.642 1.00 0.00 C ATOM 21 O GLY A 3 6.287 0.051 -10.700 1.00 0.00 O ATOM 0 H GLY A 3 7.604 0.262 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.264 0.599 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.668 1.640 -8.301 1.00 0.00 H new ATOM 25 N LYS A 4 8.103 -0.579 -9.536 1.00 0.00 N ATOM 26 CA LYS A 4 8.759 -1.193 -10.682 1.00 0.00 C ATOM 27 C LYS A 4 8.371 -2.651 -10.826 1.00 0.00 C ATOM 28 O LYS A 4 8.057 -3.327 -9.837 1.00 0.00 O ATOM 29 CB LYS A 4 10.275 -1.093 -10.558 1.00 0.00 C ATOM 30 CG LYS A 4 10.814 0.320 -10.575 1.00 0.00 C ATOM 31 CD LYS A 4 12.333 0.325 -10.569 1.00 0.00 C ATOM 32 CE LYS A 4 12.881 1.724 -10.779 1.00 0.00 C ATOM 33 NZ LYS A 4 12.505 2.267 -12.106 1.00 0.00 N ATOM 0 H LYS A 4 8.634 -0.633 -8.667 1.00 0.00 H new ATOM 0 HA LYS A 4 8.429 -0.649 -11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.584 -1.575 -9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.731 -1.652 -11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.449 0.841 -11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.442 0.865 -9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.696 -0.072 -9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.704 -0.335 -11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.505 2.383 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.967 1.707 -10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.148 3.045 -12.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.574 1.515 -12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.528 2.623 -12.071 1.00 0.00 H new ATOM 47 N GLY A 5 8.409 -3.132 -12.052 1.00 0.00 N ATOM 48 CA GLY A 5 8.113 -4.517 -12.321 1.00 0.00 C ATOM 49 C GLY A 5 9.373 -5.288 -12.629 1.00 0.00 C ATOM 50 O GLY A 5 9.994 -5.083 -13.672 1.00 0.00 O ATOM 0 H GLY A 5 8.643 -2.580 -12.877 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.613 -4.960 -11.460 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.423 -4.589 -13.162 1.00 0.00 H new ATOM 54 N LYS A 6 9.765 -6.155 -11.721 1.00 0.00 N ATOM 55 CA LYS A 6 10.979 -6.932 -11.891 1.00 0.00 C ATOM 56 C LYS A 6 10.650 -8.356 -12.332 1.00 0.00 C ATOM 57 O LYS A 6 9.483 -8.765 -12.314 1.00 0.00 O ATOM 58 CB LYS A 6 11.778 -6.958 -10.581 1.00 0.00 C ATOM 59 CG LYS A 6 11.103 -7.736 -9.456 1.00 0.00 C ATOM 60 CD LYS A 6 11.959 -7.773 -8.195 1.00 0.00 C ATOM 61 CE LYS A 6 13.330 -8.376 -8.465 1.00 0.00 C ATOM 62 NZ LYS A 6 14.089 -8.616 -7.214 1.00 0.00 N ATOM 0 H LYS A 6 9.261 -6.342 -10.854 1.00 0.00 H new ATOM 0 HA LYS A 6 11.583 -6.461 -12.666 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.758 -7.395 -10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.946 -5.933 -10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.140 -7.280 -9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.903 -8.755 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.076 -6.762 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.450 -8.355 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.212 -9.316 -9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.899 -7.708 -9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.104 -8.479 -7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.773 -7.948 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.923 -9.590 -6.888 1.00 0.00 H new ATOM 76 N GLY A 7 11.669 -9.102 -12.728 1.00 0.00 N ATOM 77 CA GLY A 7 11.459 -10.480 -13.111 1.00 0.00 C ATOM 78 C GLY A 7 12.115 -10.855 -14.422 1.00 0.00 C ATOM 79 O GLY A 7 12.794 -11.880 -14.506 1.00 0.00 O ATOM 0 H GLY A 7 12.634 -8.779 -12.791 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.843 -11.129 -12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.388 -10.668 -13.184 1.00 0.00 H new ATOM 83 N GLU A 8 11.935 -10.029 -15.440 1.00 0.00 N ATOM 84 CA GLU A 8 12.459 -10.341 -16.769 1.00 0.00 C ATOM 85 C GLU A 8 13.879 -9.847 -16.941 1.00 0.00 C ATOM 86 O GLU A 8 14.731 -10.544 -17.488 1.00 0.00 O ATOM 87 CB GLU A 8 11.550 -9.779 -17.887 1.00 0.00 C ATOM 88 CG GLU A 8 11.548 -8.256 -18.021 1.00 0.00 C ATOM 89 CD GLU A 8 10.958 -7.552 -16.819 1.00 0.00 C ATOM 90 OE1 GLU A 8 9.757 -7.214 -16.853 1.00 0.00 O ATOM 91 OE2 GLU A 8 11.691 -7.348 -15.828 1.00 0.00 O ATOM 0 H GLU A 8 11.434 -9.142 -15.377 1.00 0.00 H new ATOM 0 HA GLU A 8 12.468 -11.427 -16.856 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.862 -10.211 -18.838 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.529 -10.113 -17.705 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.571 -7.910 -18.171 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.983 -7.977 -18.911 1.00 0.00 H new ATOM 98 N LYS A 9 14.136 -8.655 -16.473 1.00 0.00 N ATOM 99 CA LYS A 9 15.452 -8.079 -16.586 1.00 0.00 C ATOM 100 C LYS A 9 16.330 -8.567 -15.465 1.00 0.00 C ATOM 101 O LYS A 9 17.556 -8.477 -15.533 1.00 0.00 O ATOM 102 CB LYS A 9 15.367 -6.567 -16.560 1.00 0.00 C ATOM 103 CG LYS A 9 14.591 -5.958 -17.732 1.00 0.00 C ATOM 104 CD LYS A 9 15.081 -6.497 -19.070 1.00 0.00 C ATOM 105 CE LYS A 9 14.264 -5.958 -20.241 1.00 0.00 C ATOM 106 NZ LYS A 9 14.459 -4.501 -20.444 1.00 0.00 N ATOM 0 H LYS A 9 13.450 -8.061 -16.008 1.00 0.00 H new ATOM 0 HA LYS A 9 15.888 -8.389 -17.536 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.895 -6.257 -15.627 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.377 -6.158 -16.557 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.529 -6.176 -17.618 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.697 -4.873 -17.715 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.129 -6.229 -19.206 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.028 -7.586 -19.063 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.544 -6.489 -21.151 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.207 -6.159 -20.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.924 -4.192 -21.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.120 -3.985 -19.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.470 -4.303 -20.587 1.00 0.00 H new ATOM 120 N CYS A 10 15.696 -9.090 -14.442 1.00 0.00 N ATOM 121 CA CYS A 10 16.393 -9.600 -13.293 1.00 0.00 C ATOM 122 C CYS A 10 17.071 -10.905 -13.608 1.00 0.00 C ATOM 123 O CYS A 10 16.613 -11.679 -14.461 1.00 0.00 O ATOM 124 CB CYS A 10 15.436 -9.778 -12.136 1.00 0.00 C ATOM 125 SG CYS A 10 14.596 -8.264 -11.680 1.00 0.00 S ATOM 0 H CYS A 10 14.681 -9.172 -14.386 1.00 0.00 H new ATOM 0 HA CYS A 10 17.159 -8.876 -13.013 1.00 0.00 H new ATOM 0 HB2 CYS A 10 14.695 -10.533 -12.398 1.00 0.00 H new ATOM 0 HB3 CYS A 10 15.985 -10.156 -11.273 1.00 0.00 H new ATOM 130 N THR A 11 18.144 -11.149 -12.921 1.00 0.00 N ATOM 131 CA THR A 11 18.917 -12.332 -13.109 1.00 0.00 C ATOM 132 C THR A 11 18.366 -13.447 -12.242 1.00 0.00 C ATOM 133 O THR A 11 17.553 -13.197 -11.343 1.00 0.00 O ATOM 134 CB THR A 11 20.369 -12.062 -12.720 1.00 0.00 C ATOM 135 OG1 THR A 11 20.447 -11.809 -11.305 1.00 0.00 O ATOM 136 CG2 THR A 11 20.885 -10.853 -13.476 1.00 0.00 C ATOM 0 H THR A 11 18.510 -10.522 -12.205 1.00 0.00 H new ATOM 0 HA THR A 11 18.868 -12.628 -14.157 1.00 0.00 H new ATOM 0 HB THR A 11 20.976 -12.932 -12.971 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.957 -10.987 -11.147 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.921 -10.664 -13.196 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.828 -11.043 -14.548 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.277 -9.983 -13.229 1.00 0.00 H new ATOM 144 N SER A 12 18.801 -14.662 -12.489 1.00 0.00 N ATOM 145 CA SER A 12 18.373 -15.786 -11.694 1.00 0.00 C ATOM 146 C SER A 12 18.854 -15.611 -10.253 1.00 0.00 C ATOM 147 O SER A 12 18.227 -16.095 -9.311 1.00 0.00 O ATOM 148 CB SER A 12 18.913 -17.079 -12.291 1.00 0.00 C ATOM 149 OG SER A 12 18.627 -17.144 -13.682 1.00 0.00 O ATOM 0 H SER A 12 19.453 -14.895 -13.238 1.00 0.00 H new ATOM 0 HA SER A 12 17.284 -15.837 -11.693 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.990 -17.138 -12.132 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.469 -17.935 -11.782 1.00 0.00 H new ATOM 0 HG SER A 12 18.982 -17.980 -14.050 1.00 0.00 H new ATOM 155 N ALA A 13 19.957 -14.883 -10.097 1.00 0.00 N ATOM 156 CA ALA A 13 20.515 -14.596 -8.791 1.00 0.00 C ATOM 157 C ALA A 13 19.599 -13.658 -8.015 1.00 0.00 C ATOM 158 O ALA A 13 19.353 -13.864 -6.829 1.00 0.00 O ATOM 159 CB ALA A 13 21.900 -13.992 -8.933 1.00 0.00 C ATOM 0 H ALA A 13 20.482 -14.480 -10.873 1.00 0.00 H new ATOM 0 HA ALA A 13 20.599 -15.530 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.308 -13.781 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.552 -14.695 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.836 -13.066 -9.504 1.00 0.00 H new ATOM 165 N CYS A 14 19.085 -12.638 -8.693 1.00 0.00 N ATOM 166 CA CYS A 14 18.163 -11.696 -8.067 1.00 0.00 C ATOM 167 C CYS A 14 16.830 -12.370 -7.787 1.00 0.00 C ATOM 168 O CYS A 14 16.178 -12.090 -6.779 1.00 0.00 O ATOM 169 CB CYS A 14 17.952 -10.463 -8.953 1.00 0.00 C ATOM 170 SG CYS A 14 16.745 -9.275 -8.301 1.00 0.00 S ATOM 0 H CYS A 14 19.290 -12.442 -9.673 1.00 0.00 H new ATOM 0 HA CYS A 14 18.602 -11.370 -7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.908 -9.957 -9.085 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.626 -10.791 -9.940 1.00 0.00 H new ATOM 175 N ARG A 15 16.429 -13.278 -8.677 1.00 0.00 N ATOM 176 CA ARG A 15 15.178 -13.999 -8.507 1.00 0.00 C ATOM 177 C ARG A 15 15.265 -14.989 -7.351 1.00 0.00 C ATOM 178 O ARG A 15 14.247 -15.498 -6.878 1.00 0.00 O ATOM 179 CB ARG A 15 14.754 -14.701 -9.799 1.00 0.00 C ATOM 180 CG ARG A 15 14.512 -13.750 -10.957 1.00 0.00 C ATOM 181 CD ARG A 15 13.348 -14.207 -11.813 1.00 0.00 C ATOM 182 NE ARG A 15 12.087 -14.155 -11.070 1.00 0.00 N ATOM 183 CZ ARG A 15 10.877 -14.136 -11.629 1.00 0.00 C ATOM 184 NH1 ARG A 15 10.744 -14.173 -12.953 1.00 0.00 N ATOM 185 NH2 ARG A 15 9.798 -14.073 -10.858 1.00 0.00 N ATOM 0 H ARG A 15 16.952 -13.527 -9.516 1.00 0.00 H new ATOM 0 HA ARG A 15 14.410 -13.265 -8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.525 -15.417 -10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.844 -15.270 -9.611 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.313 -12.750 -10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.412 -13.683 -11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.276 -13.577 -12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.526 -15.225 -12.159 1.00 0.00 H new ATOM 0 HE ARG A 15 12.138 -14.132 -10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.572 -14.216 -13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.815 -14.158 -13.373 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.897 -14.039 -9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.870 -14.058 -11.280 1.00 0.00 H new ATOM 199 N SER A 16 16.480 -15.255 -6.899 1.00 0.00 N ATOM 200 CA SER A 16 16.697 -16.106 -5.753 1.00 0.00 C ATOM 201 C SER A 16 16.496 -15.286 -4.483 1.00 0.00 C ATOM 202 O SER A 16 16.711 -14.071 -4.485 1.00 0.00 O ATOM 203 CB SER A 16 18.104 -16.701 -5.797 1.00 0.00 C ATOM 204 OG SER A 16 18.307 -17.424 -7.005 1.00 0.00 O ATOM 0 H SER A 16 17.335 -14.887 -7.317 1.00 0.00 H new ATOM 0 HA SER A 16 15.984 -16.930 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.844 -15.905 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.252 -17.362 -4.943 1.00 0.00 H new ATOM 0 HG SER A 16 18.597 -16.808 -7.710 1.00 0.00 H new ATOM 210 N GLU A 17 16.078 -15.928 -3.417 1.00 0.00 N ATOM 211 CA GLU A 17 15.811 -15.224 -2.178 1.00 0.00 C ATOM 212 C GLU A 17 16.510 -15.892 -0.991 1.00 0.00 C ATOM 213 O GLU A 17 16.334 -17.086 -0.748 1.00 0.00 O ATOM 214 CB GLU A 17 14.304 -15.122 -1.949 1.00 0.00 C ATOM 215 CG GLU A 17 13.566 -16.434 -2.124 1.00 0.00 C ATOM 216 CD GLU A 17 12.075 -16.268 -2.046 1.00 0.00 C ATOM 217 OE1 GLU A 17 11.458 -15.937 -3.076 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.506 -16.477 -0.955 1.00 0.00 O ATOM 0 H GLU A 17 15.915 -16.934 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 17 16.218 -14.216 -2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.124 -14.747 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.890 -14.389 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.830 -16.871 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.891 -17.136 -1.356 1.00 0.00 H new ATOM 225 N PRO A 18 17.353 -15.138 -0.257 1.00 0.00 N ATOM 226 CA PRO A 18 17.645 -13.726 -0.557 1.00 0.00 C ATOM 227 C PRO A 18 18.455 -13.575 -1.843 1.00 0.00 C ATOM 228 O PRO A 18 18.989 -14.565 -2.369 1.00 0.00 O ATOM 229 CB PRO A 18 18.473 -13.273 0.648 1.00 0.00 C ATOM 230 CG PRO A 18 19.096 -14.521 1.160 1.00 0.00 C ATOM 231 CD PRO A 18 18.086 -15.606 0.931 1.00 0.00 C ATOM 0 HA PRO A 18 16.739 -13.141 -0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.228 -12.542 0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.847 -12.802 1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.027 -14.737 0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.340 -14.431 2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.563 -16.570 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.425 -15.729 1.789 1.00 0.00 H new ATOM 239 N CYS A 19 18.551 -12.345 -2.337 1.00 0.00 N ATOM 240 CA CYS A 19 19.248 -12.059 -3.587 1.00 0.00 C ATOM 241 C CYS A 19 20.664 -12.624 -3.592 1.00 0.00 C ATOM 242 O CYS A 19 21.334 -12.678 -2.552 1.00 0.00 O ATOM 243 CB CYS A 19 19.305 -10.567 -3.849 1.00 0.00 C ATOM 244 SG CYS A 19 19.991 -10.170 -5.463 1.00 0.00 S ATOM 0 H CYS A 19 18.151 -11.522 -1.886 1.00 0.00 H new ATOM 0 HA CYS A 19 18.679 -12.545 -4.379 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.300 -10.151 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.907 -10.089 -3.076 1.00 0.00 H new ATOM 249 N GLN A 20 21.116 -13.030 -4.764 1.00 0.00 N ATOM 250 CA GLN A 20 22.432 -13.626 -4.918 1.00 0.00 C ATOM 251 C GLN A 20 23.279 -12.883 -5.956 1.00 0.00 C ATOM 252 O GLN A 20 24.291 -13.410 -6.419 1.00 0.00 O ATOM 253 CB GLN A 20 22.284 -15.093 -5.322 1.00 0.00 C ATOM 254 CG GLN A 20 21.623 -15.961 -4.265 1.00 0.00 C ATOM 255 CD GLN A 20 22.502 -16.152 -3.044 1.00 0.00 C ATOM 256 OE1 GLN A 20 23.307 -17.077 -2.986 1.00 0.00 O ATOM 257 NE2 GLN A 20 22.360 -15.277 -2.067 1.00 0.00 N ATOM 0 H GLN A 20 20.585 -12.957 -5.632 1.00 0.00 H new ATOM 0 HA GLN A 20 22.947 -13.552 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.700 -15.149 -6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 20 23.271 -15.499 -5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.679 -15.506 -3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.385 -16.934 -4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.680 -14.522 -2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.931 -15.355 -1.225 1.00 0.00 H new ATOM 266 N CYS A 21 22.874 -11.668 -6.320 1.00 0.00 N ATOM 267 CA CYS A 21 23.625 -10.888 -7.300 1.00 0.00 C ATOM 268 C CYS A 21 24.970 -10.434 -6.745 1.00 0.00 C ATOM 269 O CYS A 21 26.012 -11.011 -7.066 1.00 0.00 O ATOM 270 CB CYS A 21 22.826 -9.675 -7.769 1.00 0.00 C ATOM 271 SG CYS A 21 21.441 -10.055 -8.850 1.00 0.00 S ATOM 0 H CYS A 21 22.040 -11.207 -5.956 1.00 0.00 H new ATOM 0 HA CYS A 21 23.807 -11.542 -8.153 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.451 -9.145 -6.894 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.499 -8.994 -8.290 1.00 0.00 H new ATOM 276 N GLY A 22 24.942 -9.406 -5.909 1.00 0.00 N ATOM 277 CA GLY A 22 26.163 -8.867 -5.362 1.00 0.00 C ATOM 278 C GLY A 22 27.048 -8.288 -6.445 1.00 0.00 C ATOM 279 O GLY A 22 26.746 -7.236 -7.010 1.00 0.00 O ATOM 0 H GLY A 22 24.091 -8.936 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.925 -8.093 -4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.702 -9.651 -4.831 1.00 0.00 H new ATOM 283 N SER A 23 28.122 -8.983 -6.753 1.00 0.00 N ATOM 284 CA SER A 23 29.043 -8.548 -7.781 1.00 0.00 C ATOM 285 C SER A 23 28.758 -9.263 -9.107 1.00 0.00 C ATOM 286 O SER A 23 29.410 -9.008 -10.115 1.00 0.00 O ATOM 287 CB SER A 23 30.478 -8.804 -7.327 1.00 0.00 C ATOM 288 OG SER A 23 30.718 -8.196 -6.064 1.00 0.00 O ATOM 0 H SER A 23 28.380 -9.860 -6.301 1.00 0.00 H new ATOM 0 HA SER A 23 28.908 -7.479 -7.944 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.659 -9.877 -7.261 1.00 0.00 H new ATOM 0 HB3 SER A 23 31.175 -8.409 -8.066 1.00 0.00 H new ATOM 0 HG SER A 23 31.642 -8.371 -5.787 1.00 0.00 H new ATOM 294 N LYS A 24 27.769 -10.150 -9.097 1.00 0.00 N ATOM 295 CA LYS A 24 27.395 -10.908 -10.292 1.00 0.00 C ATOM 296 C LYS A 24 26.082 -10.388 -10.869 1.00 0.00 C ATOM 297 O LYS A 24 25.348 -11.123 -11.530 1.00 0.00 O ATOM 298 CB LYS A 24 27.240 -12.390 -9.947 1.00 0.00 C ATOM 299 CG LYS A 24 28.483 -13.025 -9.358 1.00 0.00 C ATOM 300 CD LYS A 24 28.248 -14.490 -9.037 1.00 0.00 C ATOM 301 CE LYS A 24 29.487 -15.131 -8.447 1.00 0.00 C ATOM 302 NZ LYS A 24 29.299 -16.581 -8.209 1.00 0.00 N ATOM 0 H LYS A 24 27.208 -10.364 -8.272 1.00 0.00 H new ATOM 0 HA LYS A 24 28.184 -10.785 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.418 -12.503 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.961 -12.934 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.311 -12.932 -10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.773 -12.493 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.419 -14.582 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.958 -15.021 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.330 -14.980 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 24 29.738 -14.639 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.169 -16.982 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.511 -16.725 -7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.084 -17.056 -9.109 1.00 0.00 H new ATOM 316 N CYS A 25 25.799 -9.123 -10.631 1.00 0.00 N ATOM 317 CA CYS A 25 24.554 -8.533 -11.082 1.00 0.00 C ATOM 318 C CYS A 25 24.544 -8.287 -12.589 1.00 0.00 C ATOM 319 O CYS A 25 25.564 -7.912 -13.186 1.00 0.00 O ATOM 320 CB CYS A 25 24.270 -7.232 -10.349 1.00 0.00 C ATOM 321 SG CYS A 25 22.697 -6.486 -10.810 1.00 0.00 S ATOM 0 H CYS A 25 26.414 -8.484 -10.128 1.00 0.00 H new ATOM 0 HA CYS A 25 23.768 -9.253 -10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.275 -7.419 -9.275 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.074 -6.525 -10.553 1.00 0.00 H new ATOM 326 N GLN A 26 23.382 -8.502 -13.187 1.00 0.00 N ATOM 327 CA GLN A 26 23.165 -8.295 -14.613 1.00 0.00 C ATOM 328 C GLN A 26 21.721 -7.870 -14.864 1.00 0.00 C ATOM 329 O GLN A 26 21.187 -8.070 -15.952 1.00 0.00 O ATOM 330 CB GLN A 26 23.482 -9.576 -15.406 1.00 0.00 C ATOM 331 CG GLN A 26 24.967 -9.827 -15.626 1.00 0.00 C ATOM 332 CD GLN A 26 25.239 -11.074 -16.439 1.00 0.00 C ATOM 333 OE1 GLN A 26 24.479 -12.044 -16.394 1.00 0.00 O ATOM 334 NE2 GLN A 26 26.320 -11.061 -17.191 1.00 0.00 N ATOM 0 H GLN A 26 22.553 -8.829 -12.691 1.00 0.00 H new ATOM 0 HA GLN A 26 23.836 -7.506 -14.952 1.00 0.00 H new ATOM 0 HB2 GLN A 26 23.056 -10.430 -14.879 1.00 0.00 H new ATOM 0 HB3 GLN A 26 22.988 -9.520 -16.376 1.00 0.00 H new ATOM 0 HG2 GLN A 26 25.405 -8.967 -16.132 1.00 0.00 H new ATOM 0 HG3 GLN A 26 25.463 -9.914 -14.659 1.00 0.00 H new ATOM 0 HE21 GLN A 26 26.924 -10.239 -17.201 1.00 0.00 H new ATOM 0 HE22 GLN A 26 26.553 -11.873 -17.763 1.00 0.00 H new ATOM 343 N CYS A 27 21.097 -7.276 -13.849 1.00 0.00 N ATOM 344 CA CYS A 27 19.703 -6.848 -13.948 1.00 0.00 C ATOM 345 C CYS A 27 19.545 -5.625 -14.849 1.00 0.00 C ATOM 346 O CYS A 27 20.508 -5.163 -15.475 1.00 0.00 O ATOM 347 CB CYS A 27 19.120 -6.567 -12.561 1.00 0.00 C ATOM 348 SG CYS A 27 18.815 -8.050 -11.578 1.00 0.00 S ATOM 0 H CYS A 27 21.534 -7.080 -12.949 1.00 0.00 H new ATOM 0 HA CYS A 27 19.147 -7.668 -14.403 1.00 0.00 H new ATOM 0 HB2 CYS A 27 19.804 -5.917 -12.016 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.184 -6.021 -12.676 1.00 0.00 H new ATOM 353 N GLY A 28 18.329 -5.113 -14.918 1.00 0.00 N ATOM 354 CA GLY A 28 18.055 -3.964 -15.753 1.00 0.00 C ATOM 355 C GLY A 28 17.586 -2.762 -14.960 1.00 0.00 C ATOM 356 O GLY A 28 17.573 -2.783 -13.730 1.00 0.00 O ATOM 0 H GLY A 28 17.522 -5.474 -14.408 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.956 -3.700 -16.307 1.00 0.00 H new ATOM 0 HA3 GLY A 28 17.295 -4.228 -16.488 1.00 0.00 H new ATOM 360 N GLU A 29 17.176 -1.726 -15.676 1.00 0.00 N ATOM 361 CA GLU A 29 16.720 -0.470 -15.070 1.00 0.00 C ATOM 362 C GLU A 29 15.360 -0.639 -14.375 1.00 0.00 C ATOM 363 O GLU A 29 14.925 0.228 -13.610 1.00 0.00 O ATOM 364 CB GLU A 29 16.628 0.609 -16.153 1.00 0.00 C ATOM 365 CG GLU A 29 15.615 0.285 -17.242 1.00 0.00 C ATOM 366 CD GLU A 29 15.838 1.074 -18.510 1.00 0.00 C ATOM 367 OE1 GLU A 29 16.367 0.495 -19.484 1.00 0.00 O ATOM 368 OE2 GLU A 29 15.481 2.262 -18.551 1.00 0.00 O ATOM 0 H GLU A 29 17.147 -1.726 -16.696 1.00 0.00 H new ATOM 0 HA GLU A 29 17.442 -0.172 -14.310 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.361 1.558 -15.689 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.610 0.742 -16.608 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.663 -0.780 -17.470 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.611 0.486 -16.868 1.00 0.00 H new ATOM 375 N GLY A 30 14.705 -1.762 -14.633 1.00 0.00 N ATOM 376 CA GLY A 30 13.403 -2.007 -14.052 1.00 0.00 C ATOM 377 C GLY A 30 13.475 -2.844 -12.796 1.00 0.00 C ATOM 378 O GLY A 30 12.482 -3.446 -12.383 1.00 0.00 O ATOM 0 H GLY A 30 15.053 -2.508 -15.235 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.927 -1.054 -13.822 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.772 -2.511 -14.784 1.00 0.00 H new ATOM 382 N CYS A 31 14.640 -2.886 -12.184 1.00 0.00 N ATOM 383 CA CYS A 31 14.821 -3.644 -10.971 1.00 0.00 C ATOM 384 C CYS A 31 14.609 -2.758 -9.760 1.00 0.00 C ATOM 385 O CYS A 31 15.026 -1.593 -9.740 1.00 0.00 O ATOM 386 CB CYS A 31 16.203 -4.282 -10.919 1.00 0.00 C ATOM 387 SG CYS A 31 16.491 -5.245 -9.420 1.00 0.00 S ATOM 0 H CYS A 31 15.476 -2.401 -12.511 1.00 0.00 H new ATOM 0 HA CYS A 31 14.079 -4.443 -10.962 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.330 -4.929 -11.787 1.00 0.00 H new ATOM 0 HB3 CYS A 31 16.959 -3.500 -10.991 1.00 0.00 H new ATOM 392 N THR A 32 13.972 -3.306 -8.754 1.00 0.00 N ATOM 393 CA THR A 32 13.676 -2.560 -7.559 1.00 0.00 C ATOM 394 C THR A 32 14.276 -3.235 -6.325 1.00 0.00 C ATOM 395 O THR A 32 13.896 -2.938 -5.192 1.00 0.00 O ATOM 396 CB THR A 32 12.146 -2.376 -7.396 1.00 0.00 C ATOM 397 OG1 THR A 32 11.854 -1.545 -6.264 1.00 0.00 O ATOM 398 CG2 THR A 32 11.440 -3.720 -7.247 1.00 0.00 C ATOM 0 H THR A 32 13.647 -4.273 -8.741 1.00 0.00 H new ATOM 0 HA THR A 32 14.132 -1.575 -7.655 1.00 0.00 H new ATOM 0 HB THR A 32 11.775 -1.890 -8.299 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.446 -1.785 -5.521 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.368 -3.557 -7.135 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.624 -4.328 -8.133 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.823 -4.237 -6.367 1.00 0.00 H new ATOM 406 N CYS A 33 15.231 -4.120 -6.545 1.00 0.00 N ATOM 407 CA CYS A 33 15.879 -4.803 -5.449 1.00 0.00 C ATOM 408 C CYS A 33 17.054 -3.984 -4.949 1.00 0.00 C ATOM 409 O CYS A 33 18.006 -3.747 -5.681 1.00 0.00 O ATOM 410 CB CYS A 33 16.352 -6.188 -5.875 1.00 0.00 C ATOM 411 SG CYS A 33 17.049 -7.164 -4.526 1.00 0.00 S ATOM 0 H CYS A 33 15.572 -4.380 -7.471 1.00 0.00 H new ATOM 0 HA CYS A 33 15.155 -4.921 -4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.512 -6.731 -6.309 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.102 -6.081 -6.659 1.00 0.00 H new ATOM 416 N ALA A 34 16.987 -3.559 -3.700 1.00 0.00 N ATOM 417 CA ALA A 34 18.038 -2.746 -3.106 1.00 0.00 C ATOM 418 C ALA A 34 19.296 -3.568 -2.847 1.00 0.00 C ATOM 419 O ALA A 34 20.356 -3.017 -2.550 1.00 0.00 O ATOM 420 CB ALA A 34 17.548 -2.102 -1.820 1.00 0.00 C ATOM 0 H ALA A 34 16.210 -3.764 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 34 18.294 -1.960 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.346 -1.498 -1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.688 -1.468 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.258 -2.878 -1.112 1.00 0.00 H new ATOM 426 N ALA A 35 19.175 -4.885 -2.959 1.00 0.00 N ATOM 427 CA ALA A 35 20.303 -5.773 -2.747 1.00 0.00 C ATOM 428 C ALA A 35 21.365 -5.574 -3.822 1.00 0.00 C ATOM 429 O ALA A 35 22.554 -5.470 -3.518 1.00 0.00 O ATOM 430 CB ALA A 35 19.844 -7.220 -2.712 1.00 0.00 C ATOM 0 H ALA A 35 18.304 -5.359 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 35 20.749 -5.528 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.704 -7.871 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.130 -7.356 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.368 -7.474 -3.659 1.00 0.00 H new ATOM 436 N CYS A 36 20.931 -5.497 -5.070 1.00 0.00 N ATOM 437 CA CYS A 36 21.852 -5.334 -6.185 1.00 0.00 C ATOM 438 C CYS A 36 21.816 -3.913 -6.770 1.00 0.00 C ATOM 439 O CYS A 36 22.743 -3.505 -7.473 1.00 0.00 O ATOM 440 CB CYS A 36 21.558 -6.382 -7.254 1.00 0.00 C ATOM 441 SG CYS A 36 19.813 -6.523 -7.692 1.00 0.00 S ATOM 0 H CYS A 36 19.948 -5.545 -5.337 1.00 0.00 H new ATOM 0 HA CYS A 36 22.864 -5.484 -5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.128 -6.139 -8.151 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.913 -7.351 -6.904 1.00 0.00 H new ATOM 446 N LYS A 37 20.750 -3.162 -6.472 1.00 0.00 N ATOM 447 CA LYS A 37 20.626 -1.782 -6.946 1.00 0.00 C ATOM 448 C LYS A 37 21.737 -0.921 -6.351 1.00 0.00 C ATOM 449 O LYS A 37 21.717 -0.603 -5.162 1.00 0.00 O ATOM 450 CB LYS A 37 19.261 -1.204 -6.554 1.00 0.00 C ATOM 451 CG LYS A 37 19.016 0.214 -7.046 1.00 0.00 C ATOM 452 CD LYS A 37 17.824 0.847 -6.338 1.00 0.00 C ATOM 453 CE LYS A 37 16.502 0.207 -6.739 1.00 0.00 C ATOM 454 NZ LYS A 37 16.112 0.555 -8.131 1.00 0.00 N ATOM 0 H LYS A 37 19.965 -3.486 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 37 20.713 -1.781 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.478 -1.853 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.172 -1.220 -5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.906 0.819 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.839 0.203 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.956 0.757 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.793 1.912 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.581 -0.876 -6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.720 0.531 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.345 1.257 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.932 0.952 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.786 -0.300 -8.624 1.00 0.00 H new ATOM 468 N THR A 38 22.701 -0.558 -7.170 1.00 0.00 N ATOM 469 CA THR A 38 23.820 0.235 -6.715 1.00 0.00 C ATOM 470 C THR A 38 24.003 1.477 -7.589 1.00 0.00 C ATOM 471 O THR A 38 23.616 1.488 -8.762 1.00 0.00 O ATOM 472 CB THR A 38 25.131 -0.604 -6.706 1.00 0.00 C ATOM 473 OG1 THR A 38 26.236 0.192 -6.248 1.00 0.00 O ATOM 474 CG2 THR A 38 25.440 -1.155 -8.094 1.00 0.00 C ATOM 0 H THR A 38 22.731 -0.802 -8.160 1.00 0.00 H new ATOM 0 HA THR A 38 23.603 0.554 -5.696 1.00 0.00 H new ATOM 0 HB THR A 38 24.983 -1.441 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.052 -0.351 -6.247 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.361 -1.737 -8.058 1.00 0.00 H new ATOM 0 HG22 THR A 38 24.620 -1.794 -8.423 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.560 -0.329 -8.795 1.00 0.00 H new ATOM 482 N CYS A 39 24.565 2.517 -7.003 1.00 0.00 N ATOM 483 CA CYS A 39 24.845 3.753 -7.704 1.00 0.00 C ATOM 484 C CYS A 39 25.994 4.471 -7.028 1.00 0.00 C ATOM 485 O CYS A 39 26.137 4.408 -5.803 1.00 0.00 O ATOM 486 CB CYS A 39 23.607 4.649 -7.735 1.00 0.00 C ATOM 487 SG CYS A 39 23.908 6.315 -8.366 1.00 0.00 S ATOM 0 H CYS A 39 24.841 2.527 -6.021 1.00 0.00 H new ATOM 0 HA CYS A 39 25.121 3.519 -8.732 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.844 4.173 -8.351 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.202 4.723 -6.726 1.00 0.00 H new ATOM 492 N ASN A 40 26.818 5.135 -7.814 1.00 0.00 N ATOM 493 CA ASN A 40 27.966 5.841 -7.276 1.00 0.00 C ATOM 494 C ASN A 40 27.698 7.322 -7.093 1.00 0.00 C ATOM 495 O ASN A 40 28.324 7.963 -6.250 1.00 0.00 O ATOM 496 CB ASN A 40 29.210 5.606 -8.130 1.00 0.00 C ATOM 497 CG ASN A 40 29.927 4.321 -7.752 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.847 4.330 -6.938 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.499 3.211 -8.319 1.00 0.00 N ATOM 0 H ASN A 40 26.715 5.201 -8.827 1.00 0.00 H new ATOM 0 HA ASN A 40 28.154 5.429 -6.285 1.00 0.00 H new ATOM 0 HB2 ASN A 40 28.925 5.566 -9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 40 29.892 6.448 -8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 40 29.935 2.319 -8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.732 3.244 -8.991 1.00 0.00 H new ATOM 506 N CYS A 41 26.780 7.877 -7.876 1.00 0.00 N ATOM 507 CA CYS A 41 26.423 9.277 -7.719 1.00 0.00 C ATOM 508 C CYS A 41 25.703 9.476 -6.388 1.00 0.00 C ATOM 509 O CYS A 41 24.956 8.603 -5.936 1.00 0.00 O ATOM 510 CB CYS A 41 25.556 9.771 -8.887 1.00 0.00 C ATOM 511 SG CYS A 41 26.369 9.678 -10.515 1.00 0.00 S ATOM 0 H CYS A 41 26.277 7.385 -8.615 1.00 0.00 H new ATOM 0 HA CYS A 41 27.338 9.869 -7.723 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.639 9.183 -8.918 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.266 10.804 -8.697 1.00 0.00 H new ATOM 516 N THR A 42 25.941 10.599 -5.757 1.00 0.00 N ATOM 517 CA THR A 42 25.372 10.872 -4.456 1.00 0.00 C ATOM 518 C THR A 42 24.561 12.159 -4.479 1.00 0.00 C ATOM 519 O THR A 42 24.353 12.752 -5.542 1.00 0.00 O ATOM 520 CB THR A 42 26.481 10.982 -3.391 1.00 0.00 C ATOM 521 OG1 THR A 42 27.494 11.894 -3.842 1.00 0.00 O ATOM 522 CG2 THR A 42 27.108 9.621 -3.114 1.00 0.00 C ATOM 0 H THR A 42 26.530 11.346 -6.125 1.00 0.00 H new ATOM 0 HA THR A 42 24.712 10.043 -4.201 1.00 0.00 H new ATOM 0 HB THR A 42 26.035 11.351 -2.468 1.00 0.00 H new ATOM 0 HG1 THR A 42 28.197 11.964 -3.163 1.00 0.00 H new ATOM 0 HG21 THR A 42 27.887 9.726 -2.359 1.00 0.00 H new ATOM 0 HG22 THR A 42 26.343 8.935 -2.752 1.00 0.00 H new ATOM 0 HG23 THR A 42 27.543 9.227 -4.032 1.00 0.00 H new ATOM 530 N SER A 43 24.120 12.603 -3.307 1.00 0.00 N ATOM 531 CA SER A 43 23.333 13.821 -3.189 1.00 0.00 C ATOM 532 C SER A 43 24.202 15.053 -3.467 1.00 0.00 C ATOM 533 O SER A 43 23.705 16.178 -3.554 1.00 0.00 O ATOM 534 CB SER A 43 22.713 13.898 -1.799 1.00 0.00 C ATOM 535 OG SER A 43 22.090 12.663 -1.460 1.00 0.00 O ATOM 0 H SER A 43 24.297 12.132 -2.420 1.00 0.00 H new ATOM 0 HA SER A 43 22.534 13.802 -3.930 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.482 14.138 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 43 21.979 14.703 -1.766 1.00 0.00 H new ATOM 0 HG SER A 43 21.699 12.729 -0.564 1.00 0.00 H new ATOM 541 N ASP A 44 25.507 14.820 -3.590 1.00 0.00 N ATOM 542 CA ASP A 44 26.457 15.864 -3.948 1.00 0.00 C ATOM 543 C ASP A 44 26.203 16.319 -5.380 1.00 0.00 C ATOM 544 O ASP A 44 26.455 17.476 -5.741 1.00 0.00 O ATOM 545 CB ASP A 44 27.894 15.336 -3.807 1.00 0.00 C ATOM 546 CG ASP A 44 28.940 16.291 -4.355 1.00 0.00 C ATOM 547 OD1 ASP A 44 29.457 16.042 -5.466 1.00 0.00 O ATOM 548 OD2 ASP A 44 29.259 17.285 -3.678 1.00 0.00 O ATOM 0 H ASP A 44 25.932 13.904 -3.444 1.00 0.00 H new ATOM 0 HA ASP A 44 26.328 16.713 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 44 28.102 15.145 -2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 44 27.976 14.381 -4.326 1.00 0.00 H new ATOM 553 N GLY A 45 25.685 15.404 -6.186 1.00 0.00 N ATOM 554 CA GLY A 45 25.380 15.706 -7.559 1.00 0.00 C ATOM 555 C GLY A 45 25.651 14.532 -8.470 1.00 0.00 C ATOM 556 O GLY A 45 26.425 13.632 -8.122 1.00 0.00 O ATOM 0 H GLY A 45 25.470 14.448 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.332 15.995 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 45 25.974 16.561 -7.883 1.00 0.00 H new ATOM 560 N CYS A 46 25.005 14.527 -9.618 1.00 0.00 N ATOM 561 CA CYS A 46 25.195 13.482 -10.603 1.00 0.00 C ATOM 562 C CYS A 46 26.537 13.672 -11.289 1.00 0.00 C ATOM 563 O CYS A 46 26.931 14.803 -11.589 1.00 0.00 O ATOM 564 CB CYS A 46 24.069 13.525 -11.634 1.00 0.00 C ATOM 565 SG CYS A 46 24.139 12.208 -12.867 1.00 0.00 S ATOM 0 H CYS A 46 24.335 15.245 -9.894 1.00 0.00 H new ATOM 0 HA CYS A 46 25.178 12.511 -10.107 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.113 13.469 -11.113 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.097 14.487 -12.145 1.00 0.00 H new ATOM 570 N LYS A 47 27.249 12.585 -11.526 1.00 0.00 N ATOM 571 CA LYS A 47 28.561 12.683 -12.144 1.00 0.00 C ATOM 572 C LYS A 47 28.697 11.791 -13.369 1.00 0.00 C ATOM 573 O LYS A 47 29.723 11.814 -14.049 1.00 0.00 O ATOM 574 CB LYS A 47 29.656 12.363 -11.127 1.00 0.00 C ATOM 575 CG LYS A 47 29.688 13.326 -9.957 1.00 0.00 C ATOM 576 CD LYS A 47 30.905 13.110 -9.083 1.00 0.00 C ATOM 577 CE LYS A 47 30.931 14.111 -7.947 1.00 0.00 C ATOM 578 NZ LYS A 47 32.199 14.058 -7.185 1.00 0.00 N ATOM 0 H LYS A 47 26.947 11.636 -11.304 1.00 0.00 H new ATOM 0 HA LYS A 47 28.676 13.712 -12.484 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.508 11.351 -10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.624 12.379 -11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 47 29.685 14.350 -10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.785 13.202 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 47 30.896 12.097 -8.682 1.00 0.00 H new ATOM 0 HD3 LYS A 47 31.811 13.207 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 47 30.791 15.115 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 47 30.096 13.916 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 32.173 14.760 -6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.322 13.108 -6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 32.995 14.270 -7.820 1.00 0.00 H new ATOM 592 N CYS A 48 27.678 11.012 -13.659 1.00 0.00 N ATOM 593 CA CYS A 48 27.731 10.132 -14.809 1.00 0.00 C ATOM 594 C CYS A 48 27.023 10.770 -16.004 1.00 0.00 C ATOM 595 O CYS A 48 27.373 10.509 -17.157 1.00 0.00 O ATOM 596 CB CYS A 48 27.082 8.807 -14.486 1.00 0.00 C ATOM 597 SG CYS A 48 25.297 8.886 -14.517 1.00 0.00 S ATOM 0 H CYS A 48 26.812 10.968 -13.122 1.00 0.00 H new ATOM 0 HA CYS A 48 28.778 9.966 -15.063 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.421 8.058 -15.201 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.410 8.478 -13.500 1.00 0.00 H new ATOM 602 N GLY A 49 26.021 11.601 -15.726 1.00 0.00 N ATOM 603 CA GLY A 49 25.306 12.268 -16.792 1.00 0.00 C ATOM 604 C GLY A 49 23.853 11.823 -16.924 1.00 0.00 C ATOM 605 O GLY A 49 23.182 12.184 -17.890 1.00 0.00 O ATOM 0 H GLY A 49 25.695 11.821 -14.785 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.334 13.344 -16.619 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.821 12.083 -17.735 1.00 0.00 H new ATOM 609 N LYS A 50 23.364 11.043 -15.966 1.00 0.00 N ATOM 610 CA LYS A 50 21.974 10.563 -16.003 1.00 0.00 C ATOM 611 C LYS A 50 21.071 11.416 -15.120 1.00 0.00 C ATOM 612 O LYS A 50 19.862 11.171 -15.036 1.00 0.00 O ATOM 613 CB LYS A 50 21.891 9.107 -15.541 1.00 0.00 C ATOM 614 CG LYS A 50 22.662 8.124 -16.403 1.00 0.00 C ATOM 615 CD LYS A 50 22.110 8.048 -17.810 1.00 0.00 C ATOM 616 CE LYS A 50 22.755 6.916 -18.587 1.00 0.00 C ATOM 617 NZ LYS A 50 24.235 7.026 -18.607 1.00 0.00 N ATOM 0 H LYS A 50 23.899 10.728 -15.157 1.00 0.00 H new ATOM 0 HA LYS A 50 21.634 10.638 -17.036 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.263 9.043 -14.519 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.844 8.806 -15.519 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.710 8.420 -16.441 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.626 7.135 -15.946 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.031 7.900 -17.773 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.285 8.993 -18.325 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.469 5.963 -18.143 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.378 6.918 -19.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.592 6.735 -19.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.512 8.011 -18.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 24.639 6.409 -17.874 1.00 0.00 H new ATOM 631 N GLU A 51 21.667 12.409 -14.462 1.00 0.00 N ATOM 632 CA GLU A 51 20.958 13.296 -13.537 1.00 0.00 C ATOM 633 C GLU A 51 20.473 12.530 -12.300 1.00 0.00 C ATOM 634 O GLU A 51 19.552 12.965 -11.604 1.00 0.00 O ATOM 635 CB GLU A 51 19.794 14.019 -14.232 1.00 0.00 C ATOM 636 CG GLU A 51 20.234 14.954 -15.348 1.00 0.00 C ATOM 637 CD GLU A 51 19.078 15.682 -15.990 1.00 0.00 C ATOM 638 OE1 GLU A 51 18.430 15.102 -16.886 1.00 0.00 O ATOM 639 OE2 GLU A 51 18.813 16.848 -15.605 1.00 0.00 O ATOM 0 H GLU A 51 22.660 12.623 -14.555 1.00 0.00 H new ATOM 0 HA GLU A 51 21.665 14.056 -13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.109 13.276 -14.641 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.238 14.591 -13.489 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.940 15.682 -14.949 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.764 14.381 -16.109 1.00 0.00 H new ATOM 646 N CYS A 52 21.121 11.407 -12.019 1.00 0.00 N ATOM 647 CA CYS A 52 20.785 10.599 -10.865 1.00 0.00 C ATOM 648 C CYS A 52 21.693 10.961 -9.694 1.00 0.00 C ATOM 649 O CYS A 52 22.869 11.254 -9.878 1.00 0.00 O ATOM 650 CB CYS A 52 20.903 9.104 -11.199 1.00 0.00 C ATOM 651 SG CYS A 52 22.548 8.571 -11.724 1.00 0.00 S ATOM 0 H CYS A 52 21.887 11.037 -12.582 1.00 0.00 H new ATOM 0 HA CYS A 52 19.752 10.802 -10.583 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.612 8.526 -10.322 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.190 8.865 -11.988 1.00 0.00 H new ATOM 656 N THR A 53 21.144 10.971 -8.503 1.00 0.00 N ATOM 657 CA THR A 53 21.915 11.314 -7.324 1.00 0.00 C ATOM 658 C THR A 53 21.884 10.180 -6.318 1.00 0.00 C ATOM 659 O THR A 53 21.915 10.399 -5.106 1.00 0.00 O ATOM 660 CB THR A 53 21.370 12.589 -6.670 1.00 0.00 C ATOM 661 OG1 THR A 53 19.945 12.475 -6.497 1.00 0.00 O ATOM 662 CG2 THR A 53 21.687 13.811 -7.519 1.00 0.00 C ATOM 0 H THR A 53 20.166 10.746 -8.321 1.00 0.00 H new ATOM 0 HA THR A 53 22.944 11.487 -7.638 1.00 0.00 H new ATOM 0 HB THR A 53 21.849 12.710 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.600 13.291 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.290 14.703 -7.035 1.00 0.00 H new ATOM 0 HG22 THR A 53 22.767 13.907 -7.629 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.231 13.699 -8.503 1.00 0.00 H new ATOM 670 N GLY A 54 21.847 8.972 -6.822 1.00 0.00 N ATOM 671 CA GLY A 54 21.770 7.822 -5.967 1.00 0.00 C ATOM 672 C GLY A 54 20.919 6.743 -6.577 1.00 0.00 C ATOM 673 O GLY A 54 20.242 6.986 -7.580 1.00 0.00 O ATOM 0 H GLY A 54 21.869 8.763 -7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.772 7.436 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.356 8.112 -5.001 1.00 0.00 H new ATOM 677 N PRO A 55 20.909 5.535 -5.985 1.00 0.00 N ATOM 678 CA PRO A 55 20.146 4.395 -6.513 1.00 0.00 C ATOM 679 C PRO A 55 18.637 4.647 -6.522 1.00 0.00 C ATOM 680 O PRO A 55 17.887 3.945 -7.199 1.00 0.00 O ATOM 681 CB PRO A 55 20.500 3.244 -5.559 1.00 0.00 C ATOM 682 CG PRO A 55 20.988 3.907 -4.318 1.00 0.00 C ATOM 683 CD PRO A 55 21.640 5.185 -4.754 1.00 0.00 C ATOM 0 HA PRO A 55 20.399 4.191 -7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 55 19.631 2.618 -5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.265 2.597 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.164 4.105 -3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.696 3.269 -3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.547 5.963 -3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.705 5.049 -4.943 1.00 0.00 H new ATOM 691 N ASP A 56 18.206 5.663 -5.786 1.00 0.00 N ATOM 692 CA ASP A 56 16.794 6.012 -5.703 1.00 0.00 C ATOM 693 C ASP A 56 16.280 6.521 -7.047 1.00 0.00 C ATOM 694 O ASP A 56 15.225 6.103 -7.514 1.00 0.00 O ATOM 695 CB ASP A 56 16.549 7.067 -4.605 1.00 0.00 C ATOM 696 CG ASP A 56 17.119 8.434 -4.945 1.00 0.00 C ATOM 697 OD1 ASP A 56 18.352 8.594 -4.904 1.00 0.00 O ATOM 698 OD2 ASP A 56 16.327 9.357 -5.255 1.00 0.00 O ATOM 0 H ASP A 56 18.819 6.263 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 56 16.244 5.108 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.477 7.161 -4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.991 6.719 -3.672 1.00 0.00 H new ATOM 703 N SER A 57 17.049 7.398 -7.677 1.00 0.00 N ATOM 704 CA SER A 57 16.654 7.987 -8.946 1.00 0.00 C ATOM 705 C SER A 57 17.572 7.521 -10.066 1.00 0.00 C ATOM 706 O SER A 57 17.614 8.116 -11.140 1.00 0.00 O ATOM 707 CB SER A 57 16.674 9.514 -8.846 1.00 0.00 C ATOM 708 OG SER A 57 15.803 9.968 -7.816 1.00 0.00 O ATOM 0 H SER A 57 17.953 7.717 -7.328 1.00 0.00 H new ATOM 0 HA SER A 57 15.640 7.660 -9.177 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.689 9.856 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.374 9.949 -9.799 1.00 0.00 H new ATOM 0 HG SER A 57 16.240 9.858 -6.946 1.00 0.00 H new ATOM 714 N CYS A 58 18.304 6.457 -9.809 1.00 0.00 N ATOM 715 CA CYS A 58 19.202 5.906 -10.796 1.00 0.00 C ATOM 716 C CYS A 58 18.404 5.104 -11.816 1.00 0.00 C ATOM 717 O CYS A 58 17.675 4.175 -11.458 1.00 0.00 O ATOM 718 CB CYS A 58 20.258 5.028 -10.124 1.00 0.00 C ATOM 719 SG CYS A 58 21.567 4.455 -11.227 1.00 0.00 S ATOM 0 H CYS A 58 18.293 5.956 -8.920 1.00 0.00 H new ATOM 0 HA CYS A 58 19.717 6.719 -11.309 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.710 5.587 -9.305 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.765 4.161 -9.684 1.00 0.00 H new ATOM 724 N LYS A 59 18.523 5.477 -13.075 1.00 0.00 N ATOM 725 CA LYS A 59 17.774 4.825 -14.140 1.00 0.00 C ATOM 726 C LYS A 59 18.696 4.299 -15.227 1.00 0.00 C ATOM 727 O LYS A 59 18.260 4.012 -16.342 1.00 0.00 O ATOM 728 CB LYS A 59 16.750 5.800 -14.730 1.00 0.00 C ATOM 729 CG LYS A 59 17.338 7.143 -15.143 1.00 0.00 C ATOM 730 CD LYS A 59 16.259 8.090 -15.652 1.00 0.00 C ATOM 731 CE LYS A 59 15.682 7.627 -16.980 1.00 0.00 C ATOM 732 NZ LYS A 59 16.690 7.685 -18.068 1.00 0.00 N ATOM 0 H LYS A 59 19.133 6.231 -13.390 1.00 0.00 H new ATOM 0 HA LYS A 59 17.250 3.970 -13.712 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.282 5.337 -15.599 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.962 5.970 -13.997 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.849 7.595 -14.293 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.086 6.990 -15.921 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.460 8.161 -14.914 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.677 9.090 -15.766 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.313 6.606 -16.880 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.827 8.251 -17.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.212 7.611 -18.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.205 8.587 -18.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.361 6.897 -17.962 1.00 0.00 H new ATOM 746 N CYS A 60 19.966 4.166 -14.899 1.00 0.00 N ATOM 747 CA CYS A 60 20.948 3.659 -15.843 1.00 0.00 C ATOM 748 C CYS A 60 20.692 2.183 -16.128 1.00 0.00 C ATOM 749 O CYS A 60 20.265 1.439 -15.244 1.00 0.00 O ATOM 750 CB CYS A 60 22.346 3.834 -15.277 1.00 0.00 C ATOM 751 SG CYS A 60 22.630 5.441 -14.514 1.00 0.00 S ATOM 0 H CYS A 60 20.345 4.403 -13.982 1.00 0.00 H new ATOM 0 HA CYS A 60 20.862 4.220 -16.773 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.528 3.054 -14.537 1.00 0.00 H new ATOM 0 HB3 CYS A 60 23.072 3.690 -16.077 1.00 0.00 H new ATOM 756 N GLY A 61 20.986 1.757 -17.347 1.00 0.00 N ATOM 757 CA GLY A 61 20.744 0.376 -17.732 1.00 0.00 C ATOM 758 C GLY A 61 21.850 -0.572 -17.293 1.00 0.00 C ATOM 759 O GLY A 61 22.267 -1.442 -18.066 1.00 0.00 O ATOM 0 H GLY A 61 21.389 2.341 -18.080 1.00 0.00 H new ATOM 0 HA2 GLY A 61 19.799 0.046 -17.301 1.00 0.00 H new ATOM 0 HA3 GLY A 61 20.636 0.321 -18.815 1.00 0.00 H new ATOM 763 N SER A 62 22.318 -0.397 -16.052 1.00 0.00 N ATOM 764 CA SER A 62 23.381 -1.226 -15.446 1.00 0.00 C ATOM 765 C SER A 62 24.755 -1.000 -16.085 1.00 0.00 C ATOM 766 O SER A 62 25.736 -0.789 -15.379 1.00 0.00 O ATOM 767 CB SER A 62 22.994 -2.707 -15.468 1.00 0.00 C ATOM 768 OG SER A 62 21.727 -2.890 -14.861 1.00 0.00 O ATOM 0 H SER A 62 21.969 0.331 -15.428 1.00 0.00 H new ATOM 0 HA SER A 62 23.474 -0.907 -14.408 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.969 -3.069 -16.496 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.746 -3.295 -14.942 1.00 0.00 H new ATOM 0 HG SER A 62 21.229 -3.582 -15.345 1.00 0.00 H new ATOM 774 N SER A 63 24.825 -1.033 -17.402 1.00 0.00 N ATOM 775 CA SER A 63 26.081 -0.816 -18.091 1.00 0.00 C ATOM 776 C SER A 63 26.436 0.672 -18.085 1.00 0.00 C ATOM 777 O SER A 63 26.236 1.377 -19.074 1.00 0.00 O ATOM 778 CB SER A 63 26.012 -1.357 -19.530 1.00 0.00 C ATOM 779 OG SER A 63 27.282 -1.302 -20.168 1.00 0.00 O ATOM 0 H SER A 63 24.028 -1.208 -18.015 1.00 0.00 H new ATOM 0 HA SER A 63 26.865 -1.360 -17.565 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.655 -2.387 -19.516 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.290 -0.777 -20.104 1.00 0.00 H new ATOM 0 HG SER A 63 27.206 -1.654 -21.080 1.00 0.00 H new ATOM 785 N CYS A 64 26.905 1.150 -16.948 1.00 0.00 N ATOM 786 CA CYS A 64 27.278 2.529 -16.806 1.00 0.00 C ATOM 787 C CYS A 64 28.555 2.670 -15.978 1.00 0.00 C ATOM 788 O CYS A 64 29.027 1.704 -15.379 1.00 0.00 O ATOM 789 CB CYS A 64 26.146 3.282 -16.148 1.00 0.00 C ATOM 790 SG CYS A 64 26.357 5.068 -16.143 1.00 0.00 S ATOM 0 H CYS A 64 27.035 0.590 -16.105 1.00 0.00 H new ATOM 0 HA CYS A 64 27.474 2.945 -17.794 1.00 0.00 H new ATOM 0 HB2 CYS A 64 25.215 3.038 -16.661 1.00 0.00 H new ATOM 0 HB3 CYS A 64 26.043 2.936 -15.119 1.00 0.00 H new ATOM 795 N SER A 65 29.097 3.878 -15.947 1.00 0.00 N ATOM 796 CA SER A 65 30.317 4.165 -15.216 1.00 0.00 C ATOM 797 C SER A 65 30.054 4.259 -13.705 1.00 0.00 C ATOM 798 O SER A 65 30.918 3.916 -12.897 1.00 0.00 O ATOM 799 CB SER A 65 30.942 5.470 -15.735 1.00 0.00 C ATOM 800 OG SER A 65 32.163 5.767 -15.076 1.00 0.00 O ATOM 0 H SER A 65 28.702 4.686 -16.429 1.00 0.00 H new ATOM 0 HA SER A 65 31.015 3.344 -15.380 1.00 0.00 H new ATOM 0 HB2 SER A 65 31.118 5.387 -16.807 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.241 6.292 -15.590 1.00 0.00 H new ATOM 0 HG SER A 65 32.532 6.602 -15.432 1.00 0.00 H new ATOM 806 N CYS A 66 28.851 4.695 -13.321 1.00 0.00 N ATOM 807 CA CYS A 66 28.528 4.853 -11.901 1.00 0.00 C ATOM 808 C CYS A 66 28.063 3.526 -11.283 1.00 0.00 C ATOM 809 O CYS A 66 27.471 3.503 -10.204 1.00 0.00 O ATOM 810 CB CYS A 66 27.466 5.960 -11.693 1.00 0.00 C ATOM 811 SG CYS A 66 25.754 5.462 -12.001 1.00 0.00 S ATOM 0 H CYS A 66 28.096 4.941 -13.961 1.00 0.00 H new ATOM 0 HA CYS A 66 29.440 5.158 -11.387 1.00 0.00 H new ATOM 0 HB2 CYS A 66 27.542 6.324 -10.668 1.00 0.00 H new ATOM 0 HB3 CYS A 66 27.706 6.798 -12.348 1.00 0.00 H new ATOM 816 N LYS A 67 28.359 2.421 -11.961 1.00 0.00 N ATOM 817 CA LYS A 67 27.977 1.097 -11.476 1.00 0.00 C ATOM 818 C LYS A 67 29.212 0.254 -11.161 1.00 0.00 C ATOM 819 O LYS A 67 29.687 -0.454 -12.083 1.00 0.00 O ATOM 820 CB LYS A 67 27.103 0.378 -12.513 1.00 0.00 C ATOM 821 CG LYS A 67 25.824 1.114 -12.858 1.00 0.00 C ATOM 822 CD LYS A 67 24.921 1.243 -11.652 1.00 0.00 C ATOM 823 CE LYS A 67 23.638 1.966 -12.000 1.00 0.00 C ATOM 824 NZ LYS A 67 23.892 3.363 -12.430 1.00 0.00 N ATOM 0 H LYS A 67 28.862 2.415 -12.848 1.00 0.00 H new ATOM 0 HA LYS A 67 27.404 1.227 -10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.683 0.233 -13.424 1.00 0.00 H new ATOM 0 HB3 LYS A 67 26.849 -0.612 -12.135 1.00 0.00 H new ATOM 0 HG2 LYS A 67 26.065 2.105 -13.242 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.299 0.583 -13.652 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.688 0.252 -11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.442 1.783 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.122 1.429 -12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.975 1.967 -11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.023 3.924 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.648 3.774 -11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.183 3.371 -13.428 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 16.729 -7.781 -10.257 1.00 0.00 CD HETATM 840 CD CD A 102 18.494 -8.389 -6.503 1.00 0.00 CD HETATM 841 CD CD A 103 20.769 -7.840 -9.725 1.00 0.00 CD HETATM 842 CD CD A 104 23.463 6.159 -10.830 1.00 0.00 CD HETATM 843 CD CD A 105 25.056 6.188 -14.265 1.00 0.00 CD HETATM 844 CD CD A 106 24.593 9.791 -12.402 1.00 0.00 CD