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+ -174:sc= -0.106 (180deg=-0.239) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= -0.0141 (180deg=-0.135) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.16) USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.11) USER MOD Single : A 11 THR OG1 : rot -159:sc= 0.922 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00909 K(o=-0.0091,f=-0.59) 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=-0.55) USER MOD Single : A 32 THR OG1 : rot -48:sc= 0.95 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= 2.08 (180deg=1.77) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 42 THR OG1 : rot 146:sc= 1.18 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.888) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 61:sc= 0.312 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= 1.31 (180deg=0.977) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -39:sc= 0.8 USER MOD Single : A 65 SER OG : rot 180:sc=0.000419 USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= 0.207! (180deg=0.042!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.003 1.280 -6.974 1.00 0.00 N ATOM 2 CA GLY A 1 0.261 -0.173 -6.774 1.00 0.00 C ATOM 3 C GLY A 1 1.591 -0.596 -7.365 1.00 0.00 C ATOM 4 O GLY A 1 2.114 -1.674 -7.052 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.871 1.548 -6.468 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.797 1.832 -6.605 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.119 1.475 -7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.250 -0.400 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.540 -0.753 -7.232 1.00 0.00 H new ATOM 7 N SER A 2 2.141 0.248 -8.219 1.00 0.00 N ATOM 8 CA SER A 2 3.412 -0.032 -8.851 1.00 0.00 C ATOM 9 C SER A 2 4.567 0.432 -7.967 1.00 0.00 C ATOM 10 O SER A 2 4.428 1.380 -7.195 1.00 0.00 O ATOM 11 CB SER A 2 3.477 0.644 -10.217 1.00 0.00 C ATOM 12 OG SER A 2 2.378 0.246 -11.023 1.00 0.00 O ATOM 0 H SER A 2 1.722 1.138 -8.490 1.00 0.00 H new ATOM 0 HA SER A 2 3.503 -1.109 -8.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.471 1.727 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.412 0.384 -10.713 1.00 0.00 H new ATOM 0 HG SER A 2 2.434 0.690 -11.895 1.00 0.00 H new ATOM 18 N GLY A 3 5.692 -0.250 -8.073 1.00 0.00 N ATOM 19 CA GLY A 3 6.850 0.092 -7.274 1.00 0.00 C ATOM 20 C GLY A 3 7.367 -1.104 -6.512 1.00 0.00 C ATOM 21 O GLY A 3 8.508 -1.119 -6.049 1.00 0.00 O ATOM 0 H GLY A 3 5.827 -1.041 -8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 3 7.637 0.482 -7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.589 0.886 -6.574 1.00 0.00 H new ATOM 25 N LYS A 4 6.523 -2.112 -6.386 1.00 0.00 N ATOM 26 CA LYS A 4 6.881 -3.329 -5.687 1.00 0.00 C ATOM 27 C LYS A 4 7.017 -4.482 -6.664 1.00 0.00 C ATOM 28 O LYS A 4 6.060 -4.841 -7.360 1.00 0.00 O ATOM 29 CB LYS A 4 5.843 -3.658 -4.617 1.00 0.00 C ATOM 30 CG LYS A 4 5.798 -2.650 -3.478 1.00 0.00 C ATOM 31 CD LYS A 4 4.747 -3.016 -2.440 1.00 0.00 C ATOM 32 CE LYS A 4 5.017 -4.380 -1.813 1.00 0.00 C ATOM 33 NZ LYS A 4 6.346 -4.445 -1.150 1.00 0.00 N ATOM 0 H LYS A 4 5.576 -2.109 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 4 7.843 -3.174 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.859 -3.711 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.056 -4.646 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.777 -2.597 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.584 -1.659 -3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.727 -2.255 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.762 -3.020 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.238 -4.602 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.960 -5.149 -2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.416 -5.323 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.095 -4.429 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.458 -3.628 -0.517 1.00 0.00 H new ATOM 47 N GLY A 5 8.198 -5.046 -6.725 1.00 0.00 N ATOM 48 CA GLY A 5 8.453 -6.135 -7.629 1.00 0.00 C ATOM 49 C GLY A 5 9.758 -5.948 -8.356 1.00 0.00 C ATOM 50 O GLY A 5 10.586 -5.128 -7.953 1.00 0.00 O ATOM 0 H GLY A 5 8.998 -4.767 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.474 -7.073 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.640 -6.209 -8.351 1.00 0.00 H new ATOM 54 N LYS A 6 9.949 -6.692 -9.421 1.00 0.00 N ATOM 55 CA LYS A 6 11.168 -6.601 -10.196 1.00 0.00 C ATOM 56 C LYS A 6 10.856 -6.326 -11.663 1.00 0.00 C ATOM 57 O LYS A 6 9.690 -6.361 -12.082 1.00 0.00 O ATOM 58 CB LYS A 6 12.003 -7.878 -10.033 1.00 0.00 C ATOM 59 CG LYS A 6 12.507 -8.102 -8.610 1.00 0.00 C ATOM 60 CD LYS A 6 13.456 -6.990 -8.170 1.00 0.00 C ATOM 61 CE LYS A 6 13.781 -7.081 -6.685 1.00 0.00 C ATOM 62 NZ LYS A 6 14.414 -8.371 -6.325 1.00 0.00 N ATOM 0 H LYS A 6 9.273 -7.370 -9.773 1.00 0.00 H new ATOM 0 HA LYS A 6 11.757 -5.764 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.402 -8.736 -10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.857 -7.832 -10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.659 -8.150 -7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.019 -9.063 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.378 -7.048 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.006 -6.021 -8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.447 -6.263 -6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.866 -6.954 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.799 -8.312 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.704 -9.130 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.184 -8.578 -6.993 1.00 0.00 H new ATOM 76 N GLY A 7 11.886 -6.049 -12.435 1.00 0.00 N ATOM 77 CA GLY A 7 11.704 -5.721 -13.825 1.00 0.00 C ATOM 78 C GLY A 7 11.867 -6.911 -14.738 1.00 0.00 C ATOM 79 O GLY A 7 12.106 -8.036 -14.283 1.00 0.00 O ATOM 0 H GLY A 7 12.856 -6.046 -12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.710 -5.296 -13.965 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.422 -4.952 -14.108 1.00 0.00 H new ATOM 83 N GLU A 8 11.750 -6.665 -16.028 1.00 0.00 N ATOM 84 CA GLU A 8 11.857 -7.714 -17.020 1.00 0.00 C ATOM 85 C GLU A 8 13.312 -8.094 -17.250 1.00 0.00 C ATOM 86 O GLU A 8 13.618 -9.216 -17.651 1.00 0.00 O ATOM 87 CB GLU A 8 11.207 -7.260 -18.329 1.00 0.00 C ATOM 88 CG GLU A 8 11.048 -8.362 -19.359 1.00 0.00 C ATOM 89 CD GLU A 8 10.247 -9.525 -18.832 1.00 0.00 C ATOM 90 OE1 GLU A 8 9.024 -9.373 -18.640 1.00 0.00 O ATOM 91 OE2 GLU A 8 10.832 -10.595 -18.605 1.00 0.00 O ATOM 0 H GLU A 8 11.579 -5.737 -16.416 1.00 0.00 H new ATOM 0 HA GLU A 8 11.333 -8.596 -16.652 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.226 -6.840 -18.108 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.807 -6.458 -18.760 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.560 -7.959 -20.246 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.033 -8.712 -19.668 1.00 0.00 H new ATOM 98 N LYS A 9 14.202 -7.168 -16.972 1.00 0.00 N ATOM 99 CA LYS A 9 15.616 -7.393 -17.173 1.00 0.00 C ATOM 100 C LYS A 9 16.290 -7.931 -15.920 1.00 0.00 C ATOM 101 O LYS A 9 17.514 -8.067 -15.879 1.00 0.00 O ATOM 102 CB LYS A 9 16.286 -6.119 -17.632 1.00 0.00 C ATOM 103 CG LYS A 9 15.900 -5.707 -19.039 1.00 0.00 C ATOM 104 CD LYS A 9 16.617 -4.445 -19.460 1.00 0.00 C ATOM 105 CE LYS A 9 16.256 -4.053 -20.878 1.00 0.00 C ATOM 106 NZ LYS A 9 16.900 -2.781 -21.275 1.00 0.00 N ATOM 0 H LYS A 9 13.969 -6.246 -16.604 1.00 0.00 H new ATOM 0 HA LYS A 9 15.724 -8.152 -17.948 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.030 -5.314 -16.943 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.367 -6.248 -17.583 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.139 -6.512 -19.734 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.823 -5.550 -19.091 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.359 -3.634 -18.779 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.694 -4.594 -19.385 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.560 -4.844 -21.563 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.174 -3.955 -20.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.370 -2.354 -22.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.906 -2.127 -20.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.878 -2.966 -21.577 1.00 0.00 H new ATOM 120 N CYS A 10 15.499 -8.234 -14.902 1.00 0.00 N ATOM 121 CA CYS A 10 16.036 -8.808 -13.682 1.00 0.00 C ATOM 122 C CYS A 10 16.515 -10.221 -13.932 1.00 0.00 C ATOM 123 O CYS A 10 16.065 -10.889 -14.868 1.00 0.00 O ATOM 124 CB CYS A 10 15.003 -8.798 -12.562 1.00 0.00 C ATOM 125 SG CYS A 10 14.666 -7.164 -11.890 1.00 0.00 S ATOM 0 H CYS A 10 14.489 -8.092 -14.898 1.00 0.00 H new ATOM 0 HA CYS A 10 16.880 -8.194 -13.369 1.00 0.00 H new ATOM 0 HB2 CYS A 10 14.072 -9.224 -12.937 1.00 0.00 H new ATOM 0 HB3 CYS A 10 15.349 -9.446 -11.757 1.00 0.00 H new ATOM 130 N THR A 11 17.417 -10.670 -13.107 1.00 0.00 N ATOM 131 CA THR A 11 17.977 -11.987 -13.244 1.00 0.00 C ATOM 132 C THR A 11 17.193 -12.976 -12.403 1.00 0.00 C ATOM 133 O THR A 11 16.367 -12.581 -11.573 1.00 0.00 O ATOM 134 CB THR A 11 19.435 -11.995 -12.766 1.00 0.00 C ATOM 135 OG1 THR A 11 19.478 -11.652 -11.374 1.00 0.00 O ATOM 136 CG2 THR A 11 20.258 -11.002 -13.560 1.00 0.00 C ATOM 0 H THR A 11 17.786 -10.135 -12.321 1.00 0.00 H new ATOM 0 HA THR A 11 17.929 -12.270 -14.296 1.00 0.00 H new ATOM 0 HB THR A 11 19.852 -12.991 -12.915 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.377 -11.337 -11.142 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.289 -11.021 -13.208 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.230 -11.269 -14.616 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.847 -10.001 -13.428 1.00 0.00 H new ATOM 144 N SER A 12 17.452 -14.253 -12.597 1.00 0.00 N ATOM 145 CA SER A 12 16.833 -15.271 -11.779 1.00 0.00 C ATOM 146 C SER A 12 17.484 -15.262 -10.393 1.00 0.00 C ATOM 147 O SER A 12 16.992 -15.876 -9.449 1.00 0.00 O ATOM 148 CB SER A 12 16.985 -16.637 -12.440 1.00 0.00 C ATOM 149 OG SER A 12 16.461 -16.618 -13.763 1.00 0.00 O ATOM 0 H SER A 12 18.086 -14.608 -13.313 1.00 0.00 H new ATOM 0 HA SER A 12 15.768 -15.064 -11.674 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.038 -16.919 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.466 -17.392 -11.849 1.00 0.00 H new ATOM 0 HG SER A 12 16.569 -17.503 -14.171 1.00 0.00 H new ATOM 155 N ALA A 13 18.591 -14.534 -10.292 1.00 0.00 N ATOM 156 CA ALA A 13 19.322 -14.388 -9.051 1.00 0.00 C ATOM 157 C ALA A 13 18.675 -13.315 -8.180 1.00 0.00 C ATOM 158 O ALA A 13 18.518 -13.490 -6.969 1.00 0.00 O ATOM 159 CB ALA A 13 20.772 -14.034 -9.345 1.00 0.00 C ATOM 0 H ALA A 13 19.004 -14.029 -11.076 1.00 0.00 H new ATOM 0 HA ALA A 13 19.295 -15.333 -8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.317 -13.925 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.227 -14.826 -9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.812 -13.096 -9.899 1.00 0.00 H new ATOM 165 N CYS A 14 18.294 -12.207 -8.808 1.00 0.00 N ATOM 166 CA CYS A 14 17.639 -11.102 -8.110 1.00 0.00 C ATOM 167 C CYS A 14 16.235 -11.498 -7.681 1.00 0.00 C ATOM 168 O CYS A 14 15.672 -10.940 -6.737 1.00 0.00 O ATOM 169 CB CYS A 14 17.578 -9.862 -9.011 1.00 0.00 C ATOM 170 SG CYS A 14 16.698 -8.457 -8.288 1.00 0.00 S ATOM 0 H CYS A 14 18.428 -12.049 -9.807 1.00 0.00 H new ATOM 0 HA CYS A 14 18.224 -10.866 -7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.595 -9.553 -9.253 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.096 -10.133 -9.950 1.00 0.00 H new ATOM 175 N ARG A 15 15.676 -12.473 -8.366 1.00 0.00 N ATOM 176 CA ARG A 15 14.339 -12.943 -8.062 1.00 0.00 C ATOM 177 C ARG A 15 14.368 -14.001 -6.958 1.00 0.00 C ATOM 178 O ARG A 15 13.341 -14.584 -6.611 1.00 0.00 O ATOM 179 CB ARG A 15 13.667 -13.472 -9.326 1.00 0.00 C ATOM 180 CG ARG A 15 13.495 -12.400 -10.392 1.00 0.00 C ATOM 181 CD ARG A 15 12.873 -12.949 -11.659 1.00 0.00 C ATOM 182 NE ARG A 15 12.560 -11.879 -12.604 1.00 0.00 N ATOM 183 CZ ARG A 15 12.703 -11.960 -13.925 1.00 0.00 C ATOM 184 NH1 ARG A 15 13.179 -13.069 -14.485 1.00 0.00 N ATOM 185 NH2 ARG A 15 12.369 -10.926 -14.689 1.00 0.00 N ATOM 0 H ARG A 15 16.128 -12.958 -9.141 1.00 0.00 H new ATOM 0 HA ARG A 15 13.750 -12.104 -7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 15 14.260 -14.291 -9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.691 -13.883 -9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.870 -11.597 -10.000 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.466 -11.963 -10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.557 -13.659 -12.124 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.963 -13.497 -11.412 1.00 0.00 H new ATOM 0 HE ARG A 15 12.205 -11.003 -12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.437 -13.865 -13.901 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.286 -13.124 -15.498 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.004 -10.074 -14.263 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.477 -10.984 -15.702 1.00 0.00 H new ATOM 199 N SER A 16 15.547 -14.222 -6.404 1.00 0.00 N ATOM 200 CA SER A 16 15.736 -15.153 -5.312 1.00 0.00 C ATOM 201 C SER A 16 16.054 -14.365 -4.036 1.00 0.00 C ATOM 202 O SER A 16 16.489 -13.211 -4.111 1.00 0.00 O ATOM 203 CB SER A 16 16.889 -16.120 -5.652 1.00 0.00 C ATOM 204 OG SER A 16 17.061 -17.117 -4.653 1.00 0.00 O ATOM 0 H SER A 16 16.404 -13.756 -6.703 1.00 0.00 H new ATOM 0 HA SER A 16 14.829 -15.737 -5.155 1.00 0.00 H new ATOM 0 HB2 SER A 16 16.690 -16.598 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.815 -15.555 -5.764 1.00 0.00 H new ATOM 0 HG SER A 16 17.799 -17.710 -4.906 1.00 0.00 H new ATOM 210 N GLU A 17 15.802 -14.955 -2.880 1.00 0.00 N ATOM 211 CA GLU A 17 16.125 -14.306 -1.620 1.00 0.00 C ATOM 212 C GLU A 17 16.992 -15.223 -0.756 1.00 0.00 C ATOM 213 O GLU A 17 16.641 -16.382 -0.522 1.00 0.00 O ATOM 214 CB GLU A 17 14.863 -13.871 -0.858 1.00 0.00 C ATOM 215 CG GLU A 17 13.937 -15.006 -0.459 1.00 0.00 C ATOM 216 CD GLU A 17 12.953 -14.592 0.606 1.00 0.00 C ATOM 217 OE1 GLU A 17 11.869 -14.087 0.259 1.00 0.00 O ATOM 218 OE2 GLU A 17 13.265 -14.756 1.808 1.00 0.00 O ATOM 0 H GLU A 17 15.377 -15.878 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 17 16.689 -13.402 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.166 -13.334 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.306 -13.167 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.394 -15.355 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.530 -15.846 -0.097 1.00 0.00 H new ATOM 225 N PRO A 18 18.153 -14.729 -0.287 1.00 0.00 N ATOM 226 CA PRO A 18 18.615 -13.361 -0.560 1.00 0.00 C ATOM 227 C PRO A 18 18.990 -13.168 -2.020 1.00 0.00 C ATOM 228 O PRO A 18 19.046 -14.131 -2.787 1.00 0.00 O ATOM 229 CB PRO A 18 19.867 -13.204 0.318 1.00 0.00 C ATOM 230 CG PRO A 18 19.876 -14.391 1.228 1.00 0.00 C ATOM 231 CD PRO A 18 19.107 -15.472 0.531 1.00 0.00 C ATOM 0 HA PRO A 18 17.836 -12.629 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 18 20.770 -13.171 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 18 19.832 -12.275 0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.897 -14.713 1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.419 -14.147 2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 18 19.757 -16.099 -0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.603 -16.129 1.240 1.00 0.00 H new ATOM 239 N CYS A 19 19.238 -11.927 -2.396 1.00 0.00 N ATOM 240 CA CYS A 19 19.605 -11.601 -3.755 1.00 0.00 C ATOM 241 C CYS A 19 20.889 -12.329 -4.127 1.00 0.00 C ATOM 242 O CYS A 19 21.946 -12.096 -3.534 1.00 0.00 O ATOM 243 CB CYS A 19 19.785 -10.095 -3.895 1.00 0.00 C ATOM 244 SG CYS A 19 19.632 -9.481 -5.587 1.00 0.00 S ATOM 0 H CYS A 19 19.190 -11.123 -1.770 1.00 0.00 H new ATOM 0 HA CYS A 19 18.812 -11.920 -4.432 1.00 0.00 H new ATOM 0 HB2 CYS A 19 19.046 -9.593 -3.271 1.00 0.00 H new ATOM 0 HB3 CYS A 19 20.767 -9.821 -3.509 1.00 0.00 H new ATOM 249 N GLN A 20 20.796 -13.208 -5.103 1.00 0.00 N ATOM 250 CA GLN A 20 21.924 -14.032 -5.501 1.00 0.00 C ATOM 251 C GLN A 20 22.803 -13.318 -6.516 1.00 0.00 C ATOM 252 O GLN A 20 23.735 -13.906 -7.069 1.00 0.00 O ATOM 253 CB GLN A 20 21.426 -15.362 -6.065 1.00 0.00 C ATOM 254 CG GLN A 20 20.554 -16.137 -5.096 1.00 0.00 C ATOM 255 CD GLN A 20 21.303 -16.562 -3.850 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.507 -16.817 -3.888 1.00 0.00 O ATOM 257 NE2 GLN A 20 20.602 -16.626 -2.738 1.00 0.00 N ATOM 0 H GLN A 20 19.945 -13.373 -5.640 1.00 0.00 H new ATOM 0 HA GLN A 20 22.532 -14.225 -4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.862 -15.173 -6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.284 -15.975 -6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.700 -15.523 -4.810 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.158 -17.021 -5.596 1.00 0.00 H new ATOM 0 HE21 GLN A 20 19.606 -16.407 -2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.055 -16.895 -1.864 1.00 0.00 H new ATOM 266 N CYS A 21 22.528 -12.044 -6.736 1.00 0.00 N ATOM 267 CA CYS A 21 23.284 -11.255 -7.685 1.00 0.00 C ATOM 268 C CYS A 21 24.620 -10.809 -7.107 1.00 0.00 C ATOM 269 O CYS A 21 25.352 -10.044 -7.732 1.00 0.00 O ATOM 270 CB CYS A 21 22.470 -10.060 -8.127 1.00 0.00 C ATOM 271 SG CYS A 21 20.914 -10.511 -8.895 1.00 0.00 S ATOM 0 H CYS A 21 21.781 -11.534 -6.265 1.00 0.00 H new ATOM 0 HA CYS A 21 23.497 -11.882 -8.551 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.271 -9.425 -7.264 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.057 -9.469 -8.830 1.00 0.00 H new ATOM 276 N GLY A 22 24.941 -11.306 -5.915 1.00 0.00 N ATOM 277 CA GLY A 22 26.211 -10.990 -5.293 1.00 0.00 C ATOM 278 C GLY A 22 27.377 -11.527 -6.100 1.00 0.00 C ATOM 279 O GLY A 22 28.505 -11.066 -5.961 1.00 0.00 O ATOM 0 H GLY A 22 24.340 -11.924 -5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.307 -9.909 -5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.239 -11.411 -4.288 1.00 0.00 H new ATOM 283 N SER A 23 27.099 -12.508 -6.942 1.00 0.00 N ATOM 284 CA SER A 23 28.108 -13.090 -7.807 1.00 0.00 C ATOM 285 C SER A 23 27.506 -13.445 -9.155 1.00 0.00 C ATOM 286 O SER A 23 28.032 -14.288 -9.884 1.00 0.00 O ATOM 287 CB SER A 23 28.717 -14.325 -7.147 1.00 0.00 C ATOM 288 OG SER A 23 29.300 -13.990 -5.897 1.00 0.00 O ATOM 0 H SER A 23 26.172 -12.921 -7.044 1.00 0.00 H new ATOM 0 HA SER A 23 28.899 -12.358 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 23 27.947 -15.083 -7.003 1.00 0.00 H new ATOM 0 HB3 SER A 23 29.473 -14.758 -7.802 1.00 0.00 H new ATOM 0 HG SER A 23 29.683 -14.794 -5.489 1.00 0.00 H new ATOM 294 N LYS A 24 26.415 -12.771 -9.493 1.00 0.00 N ATOM 295 CA LYS A 24 25.710 -13.019 -10.737 1.00 0.00 C ATOM 296 C LYS A 24 24.639 -11.952 -10.957 1.00 0.00 C ATOM 297 O LYS A 24 23.472 -12.157 -10.633 1.00 0.00 O ATOM 298 CB LYS A 24 25.071 -14.416 -10.709 1.00 0.00 C ATOM 299 CG LYS A 24 24.342 -14.795 -11.979 1.00 0.00 C ATOM 300 CD LYS A 24 23.626 -16.126 -11.820 1.00 0.00 C ATOM 301 CE LYS A 24 22.789 -16.463 -13.041 1.00 0.00 C ATOM 302 NZ LYS A 24 22.087 -17.763 -12.886 1.00 0.00 N ATOM 0 H LYS A 24 25.998 -12.042 -8.914 1.00 0.00 H new ATOM 0 HA LYS A 24 26.421 -12.974 -11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.849 -15.154 -10.517 1.00 0.00 H new ATOM 0 HB3 LYS A 24 24.372 -14.466 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.621 -14.018 -12.234 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.051 -14.856 -12.805 1.00 0.00 H new ATOM 0 HD2 LYS A 24 24.359 -16.915 -11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 24 22.986 -16.092 -10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.058 -15.673 -13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 24 23.429 -16.498 -13.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.526 -17.959 -13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.786 -18.521 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 21.457 -17.721 -12.060 1.00 0.00 H new ATOM 316 N CYS A 25 25.044 -10.806 -11.466 1.00 0.00 N ATOM 317 CA CYS A 25 24.110 -9.727 -11.708 1.00 0.00 C ATOM 318 C CYS A 25 24.106 -9.323 -13.175 1.00 0.00 C ATOM 319 O CYS A 25 25.161 -9.238 -13.811 1.00 0.00 O ATOM 320 CB CYS A 25 24.439 -8.522 -10.841 1.00 0.00 C ATOM 321 SG CYS A 25 23.158 -7.258 -10.861 1.00 0.00 S ATOM 0 H CYS A 25 26.010 -10.599 -11.719 1.00 0.00 H new ATOM 0 HA CYS A 25 23.116 -10.089 -11.446 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.596 -8.854 -9.815 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.377 -8.084 -11.181 1.00 0.00 H new ATOM 326 N GLN A 26 22.912 -9.072 -13.699 1.00 0.00 N ATOM 327 CA GLN A 26 22.716 -8.691 -15.100 1.00 0.00 C ATOM 328 C GLN A 26 21.441 -7.867 -15.242 1.00 0.00 C ATOM 329 O GLN A 26 20.878 -7.758 -16.333 1.00 0.00 O ATOM 330 CB GLN A 26 22.597 -9.945 -15.976 1.00 0.00 C ATOM 331 CG GLN A 26 23.904 -10.675 -16.226 1.00 0.00 C ATOM 332 CD GLN A 26 23.706 -11.944 -17.016 1.00 0.00 C ATOM 333 OE1 GLN A 26 22.792 -12.044 -17.835 1.00 0.00 O ATOM 334 NE2 GLN A 26 24.540 -12.926 -16.770 1.00 0.00 N ATOM 0 H GLN A 26 22.045 -9.126 -13.164 1.00 0.00 H new ATOM 0 HA GLN A 26 23.574 -8.100 -15.421 1.00 0.00 H new ATOM 0 HB2 GLN A 26 21.897 -10.635 -15.505 1.00 0.00 H new ATOM 0 HB3 GLN A 26 22.167 -9.660 -16.936 1.00 0.00 H new ATOM 0 HG2 GLN A 26 24.588 -10.018 -16.763 1.00 0.00 H new ATOM 0 HG3 GLN A 26 24.374 -10.913 -15.272 1.00 0.00 H new ATOM 0 HE21 GLN A 26 25.284 -12.803 -16.084 1.00 0.00 H new ATOM 0 HE22 GLN A 26 24.444 -13.813 -17.265 1.00 0.00 H new ATOM 343 N CYS A 27 20.996 -7.285 -14.144 1.00 0.00 N ATOM 344 CA CYS A 27 19.745 -6.544 -14.124 1.00 0.00 C ATOM 345 C CYS A 27 19.808 -5.261 -14.929 1.00 0.00 C ATOM 346 O CYS A 27 20.848 -4.605 -15.012 1.00 0.00 O ATOM 347 CB CYS A 27 19.320 -6.269 -12.700 1.00 0.00 C ATOM 348 SG CYS A 27 18.998 -7.768 -11.772 1.00 0.00 S ATOM 0 H CYS A 27 21.484 -7.311 -13.249 1.00 0.00 H new ATOM 0 HA CYS A 27 18.994 -7.171 -14.605 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.099 -5.696 -12.197 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.422 -5.651 -12.706 1.00 0.00 H new ATOM 353 N GLY A 28 18.677 -4.917 -15.518 1.00 0.00 N ATOM 354 CA GLY A 28 18.585 -3.741 -16.347 1.00 0.00 C ATOM 355 C GLY A 28 18.176 -2.498 -15.579 1.00 0.00 C ATOM 356 O GLY A 28 18.515 -2.334 -14.397 1.00 0.00 O ATOM 0 H GLY A 28 17.807 -5.443 -15.433 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.549 -3.565 -16.824 1.00 0.00 H new ATOM 0 HA3 GLY A 28 17.863 -3.922 -17.144 1.00 0.00 H new ATOM 360 N GLU A 29 17.435 -1.632 -16.244 1.00 0.00 N ATOM 361 CA GLU A 29 17.007 -0.366 -15.667 1.00 0.00 C ATOM 362 C GLU A 29 15.870 -0.559 -14.665 1.00 0.00 C ATOM 363 O GLU A 29 15.842 0.086 -13.616 1.00 0.00 O ATOM 364 CB GLU A 29 16.597 0.637 -16.775 1.00 0.00 C ATOM 365 CG GLU A 29 15.359 0.246 -17.591 1.00 0.00 C ATOM 366 CD GLU A 29 15.537 -1.035 -18.374 1.00 0.00 C ATOM 367 OE1 GLU A 29 15.093 -2.098 -17.888 1.00 0.00 O ATOM 368 OE2 GLU A 29 16.129 -0.993 -19.465 1.00 0.00 O ATOM 0 H GLU A 29 17.111 -1.784 -17.199 1.00 0.00 H new ATOM 0 HA GLU A 29 17.857 0.049 -15.125 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.415 1.608 -16.314 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.437 0.761 -17.458 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.509 0.137 -16.918 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.117 1.054 -18.281 1.00 0.00 H new ATOM 375 N GLY A 30 14.953 -1.469 -14.979 1.00 0.00 N ATOM 376 CA GLY A 30 13.812 -1.720 -14.114 1.00 0.00 C ATOM 377 C GLY A 30 14.171 -2.528 -12.882 1.00 0.00 C ATOM 378 O GLY A 30 13.645 -3.611 -12.667 1.00 0.00 O ATOM 0 H GLY A 30 14.980 -2.041 -15.823 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.381 -0.768 -13.805 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.044 -2.249 -14.678 1.00 0.00 H new ATOM 382 N CYS A 31 15.062 -1.996 -12.078 1.00 0.00 N ATOM 383 CA CYS A 31 15.483 -2.649 -10.860 1.00 0.00 C ATOM 384 C CYS A 31 15.966 -1.623 -9.857 1.00 0.00 C ATOM 385 O CYS A 31 17.001 -0.979 -10.057 1.00 0.00 O ATOM 386 CB CYS A 31 16.588 -3.674 -11.139 1.00 0.00 C ATOM 387 SG CYS A 31 17.298 -4.418 -9.647 1.00 0.00 S ATOM 0 H CYS A 31 15.515 -1.099 -12.250 1.00 0.00 H new ATOM 0 HA CYS A 31 14.625 -3.177 -10.444 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.184 -4.466 -11.770 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.384 -3.190 -11.705 1.00 0.00 H new ATOM 392 N THR A 32 15.207 -1.460 -8.793 1.00 0.00 N ATOM 393 CA THR A 32 15.555 -0.534 -7.739 1.00 0.00 C ATOM 394 C THR A 32 16.096 -1.302 -6.532 1.00 0.00 C ATOM 395 O THR A 32 16.176 -0.776 -5.420 1.00 0.00 O ATOM 396 CB THR A 32 14.328 0.328 -7.321 1.00 0.00 C ATOM 397 OG1 THR A 32 14.703 1.264 -6.304 1.00 0.00 O ATOM 398 CG2 THR A 32 13.187 -0.549 -6.811 1.00 0.00 C ATOM 0 H THR A 32 14.335 -1.965 -8.636 1.00 0.00 H new ATOM 0 HA THR A 32 16.326 0.139 -8.114 1.00 0.00 H new ATOM 0 HB THR A 32 13.984 0.868 -8.203 1.00 0.00 H new ATOM 0 HG1 THR A 32 15.213 0.802 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.344 0.080 -6.526 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.877 -1.237 -7.598 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.524 -1.117 -5.944 1.00 0.00 H new ATOM 406 N CYS A 33 16.485 -2.544 -6.768 1.00 0.00 N ATOM 407 CA CYS A 33 17.001 -3.388 -5.718 1.00 0.00 C ATOM 408 C CYS A 33 18.414 -2.962 -5.366 1.00 0.00 C ATOM 409 O CYS A 33 19.350 -3.190 -6.127 1.00 0.00 O ATOM 410 CB CYS A 33 16.979 -4.852 -6.154 1.00 0.00 C ATOM 411 SG CYS A 33 17.298 -6.027 -4.820 1.00 0.00 S ATOM 0 H CYS A 33 16.450 -2.987 -7.686 1.00 0.00 H new ATOM 0 HA CYS A 33 16.369 -3.284 -4.836 1.00 0.00 H new ATOM 0 HB2 CYS A 33 16.007 -5.074 -6.594 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.723 -4.997 -6.937 1.00 0.00 H new ATOM 416 N ALA A 34 18.564 -2.334 -4.214 1.00 0.00 N ATOM 417 CA ALA A 34 19.858 -1.839 -3.779 1.00 0.00 C ATOM 418 C ALA A 34 20.812 -2.979 -3.441 1.00 0.00 C ATOM 419 O ALA A 34 22.001 -2.757 -3.234 1.00 0.00 O ATOM 420 CB ALA A 34 19.699 -0.903 -2.591 1.00 0.00 C ATOM 0 H ALA A 34 17.802 -2.154 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 34 20.294 -1.281 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.679 -0.542 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 34 19.074 -0.057 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.230 -1.439 -1.766 1.00 0.00 H new ATOM 426 N ALA A 35 20.287 -4.195 -3.381 1.00 0.00 N ATOM 427 CA ALA A 35 21.102 -5.365 -3.103 1.00 0.00 C ATOM 428 C ALA A 35 22.116 -5.589 -4.218 1.00 0.00 C ATOM 429 O ALA A 35 23.250 -6.008 -3.969 1.00 0.00 O ATOM 430 CB ALA A 35 20.226 -6.594 -2.934 1.00 0.00 C ATOM 0 H ALA A 35 19.297 -4.395 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 35 21.643 -5.192 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.852 -7.462 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.536 -6.438 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.660 -6.766 -3.849 1.00 0.00 H new ATOM 436 N CYS A 36 21.710 -5.311 -5.442 1.00 0.00 N ATOM 437 CA CYS A 36 22.585 -5.477 -6.581 1.00 0.00 C ATOM 438 C CYS A 36 22.870 -4.138 -7.282 1.00 0.00 C ATOM 439 O CYS A 36 23.809 -4.028 -8.072 1.00 0.00 O ATOM 440 CB CYS A 36 22.001 -6.516 -7.545 1.00 0.00 C ATOM 441 SG CYS A 36 20.259 -6.265 -7.957 1.00 0.00 S ATOM 0 H CYS A 36 20.777 -4.968 -5.671 1.00 0.00 H new ATOM 0 HA CYS A 36 23.547 -5.846 -6.225 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.584 -6.506 -8.466 1.00 0.00 H new ATOM 0 HB3 CYS A 36 22.118 -7.506 -7.105 1.00 0.00 H new ATOM 446 N LYS A 37 22.070 -3.117 -6.975 1.00 0.00 N ATOM 447 CA LYS A 37 22.277 -1.793 -7.553 1.00 0.00 C ATOM 448 C LYS A 37 23.154 -0.928 -6.666 1.00 0.00 C ATOM 449 O LYS A 37 22.943 -0.838 -5.456 1.00 0.00 O ATOM 450 CB LYS A 37 20.950 -1.065 -7.812 1.00 0.00 C ATOM 451 CG LYS A 37 20.126 -1.632 -8.952 1.00 0.00 C ATOM 452 CD LYS A 37 20.946 -1.749 -10.229 1.00 0.00 C ATOM 453 CE LYS A 37 20.112 -2.281 -11.379 1.00 0.00 C ATOM 454 NZ LYS A 37 19.096 -1.295 -11.843 1.00 0.00 N ATOM 0 H LYS A 37 21.279 -3.182 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 37 22.780 -1.954 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.352 -1.093 -6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 37 21.162 -0.017 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.744 -2.614 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.262 -0.992 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 37 21.351 -0.772 -10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 37 21.795 -2.410 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.767 -2.543 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.610 -3.197 -11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.803 -1.529 -12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.268 -1.327 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.506 -0.340 -11.826 1.00 0.00 H new ATOM 468 N THR A 38 24.129 -0.297 -7.277 1.00 0.00 N ATOM 469 CA THR A 38 25.012 0.612 -6.589 1.00 0.00 C ATOM 470 C THR A 38 25.210 1.862 -7.453 1.00 0.00 C ATOM 471 O THR A 38 25.062 1.804 -8.678 1.00 0.00 O ATOM 472 CB THR A 38 26.381 -0.059 -6.272 1.00 0.00 C ATOM 473 OG1 THR A 38 27.218 0.832 -5.519 1.00 0.00 O ATOM 474 CG2 THR A 38 27.099 -0.476 -7.551 1.00 0.00 C ATOM 0 H THR A 38 24.332 -0.401 -8.271 1.00 0.00 H new ATOM 0 HA THR A 38 24.562 0.891 -5.637 1.00 0.00 H new ATOM 0 HB THR A 38 26.181 -0.951 -5.678 1.00 0.00 H new ATOM 0 HG1 THR A 38 28.073 0.394 -5.327 1.00 0.00 H new ATOM 0 HG21 THR A 38 28.052 -0.941 -7.298 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.482 -1.188 -8.099 1.00 0.00 H new ATOM 0 HG23 THR A 38 27.278 0.403 -8.171 1.00 0.00 H new ATOM 482 N CYS A 39 25.511 2.984 -6.830 1.00 0.00 N ATOM 483 CA CYS A 39 25.688 4.227 -7.559 1.00 0.00 C ATOM 484 C CYS A 39 26.730 5.098 -6.879 1.00 0.00 C ATOM 485 O CYS A 39 26.959 4.977 -5.674 1.00 0.00 O ATOM 486 CB CYS A 39 24.353 4.971 -7.661 1.00 0.00 C ATOM 487 SG CYS A 39 24.409 6.505 -8.615 1.00 0.00 S ATOM 0 H CYS A 39 25.638 3.062 -5.821 1.00 0.00 H new ATOM 0 HA CYS A 39 26.038 3.996 -8.565 1.00 0.00 H new ATOM 0 HB2 CYS A 39 23.617 4.306 -8.112 1.00 0.00 H new ATOM 0 HB3 CYS A 39 24.003 5.199 -6.654 1.00 0.00 H new ATOM 492 N ASN A 40 27.365 5.964 -7.653 1.00 0.00 N ATOM 493 CA ASN A 40 28.387 6.856 -7.121 1.00 0.00 C ATOM 494 C ASN A 40 27.939 8.308 -7.161 1.00 0.00 C ATOM 495 O ASN A 40 28.547 9.169 -6.520 1.00 0.00 O ATOM 496 CB ASN A 40 29.718 6.678 -7.856 1.00 0.00 C ATOM 497 CG ASN A 40 30.446 5.415 -7.433 1.00 0.00 C ATOM 498 OD1 ASN A 40 31.231 5.427 -6.481 1.00 0.00 O ATOM 499 ND2 ASN A 40 30.192 4.320 -8.125 1.00 0.00 N ATOM 0 H ASN A 40 27.192 6.069 -8.653 1.00 0.00 H new ATOM 0 HA ASN A 40 28.539 6.584 -6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 40 29.536 6.647 -8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.354 7.542 -7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 40 30.651 3.443 -7.879 1.00 0.00 H new ATOM 0 HD22 ASN A 40 29.536 4.351 -8.906 1.00 0.00 H new ATOM 506 N CYS A 41 26.884 8.588 -7.915 1.00 0.00 N ATOM 507 CA CYS A 41 26.339 9.920 -7.963 1.00 0.00 C ATOM 508 C CYS A 41 25.724 10.262 -6.613 1.00 0.00 C ATOM 509 O CYS A 41 25.064 9.430 -5.986 1.00 0.00 O ATOM 510 CB CYS A 41 25.332 10.048 -9.099 1.00 0.00 C ATOM 511 SG CYS A 41 26.073 9.835 -10.745 1.00 0.00 S ATOM 0 H CYS A 41 26.396 7.907 -8.497 1.00 0.00 H new ATOM 0 HA CYS A 41 27.136 10.636 -8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.546 9.305 -8.963 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.858 11.028 -9.046 1.00 0.00 H new ATOM 516 N THR A 42 25.943 11.474 -6.177 1.00 0.00 N ATOM 517 CA THR A 42 25.571 11.882 -4.847 1.00 0.00 C ATOM 518 C THR A 42 24.238 12.613 -4.816 1.00 0.00 C ATOM 519 O THR A 42 23.686 12.962 -5.853 1.00 0.00 O ATOM 520 CB THR A 42 26.674 12.753 -4.239 1.00 0.00 C ATOM 521 OG1 THR A 42 27.020 13.793 -5.160 1.00 0.00 O ATOM 522 CG2 THR A 42 27.908 11.914 -3.950 1.00 0.00 C ATOM 0 H THR A 42 26.384 12.207 -6.733 1.00 0.00 H new ATOM 0 HA THR A 42 25.451 10.978 -4.250 1.00 0.00 H new ATOM 0 HB THR A 42 26.309 13.185 -3.307 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.253 14.605 -4.664 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.684 12.546 -3.518 1.00 0.00 H new ATOM 0 HG22 THR A 42 27.652 11.121 -3.247 1.00 0.00 H new ATOM 0 HG23 THR A 42 28.273 11.473 -4.877 1.00 0.00 H new ATOM 530 N SER A 43 23.741 12.859 -3.617 1.00 0.00 N ATOM 531 CA SER A 43 22.441 13.477 -3.426 1.00 0.00 C ATOM 532 C SER A 43 22.430 14.965 -3.804 1.00 0.00 C ATOM 533 O SER A 43 21.363 15.551 -3.997 1.00 0.00 O ATOM 534 CB SER A 43 21.991 13.286 -1.984 1.00 0.00 C ATOM 535 OG SER A 43 22.059 11.915 -1.616 1.00 0.00 O ATOM 0 H SER A 43 24.227 12.636 -2.748 1.00 0.00 H new ATOM 0 HA SER A 43 21.740 12.983 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 43 22.620 13.878 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.971 13.650 -1.865 1.00 0.00 H new ATOM 0 HG SER A 43 21.768 11.811 -0.686 1.00 0.00 H new ATOM 541 N ASP A 44 23.605 15.577 -3.907 1.00 0.00 N ATOM 542 CA ASP A 44 23.685 16.992 -4.280 1.00 0.00 C ATOM 543 C ASP A 44 23.455 17.174 -5.769 1.00 0.00 C ATOM 544 O ASP A 44 23.080 18.260 -6.221 1.00 0.00 O ATOM 545 CB ASP A 44 25.029 17.618 -3.873 1.00 0.00 C ATOM 546 CG ASP A 44 26.217 17.003 -4.579 1.00 0.00 C ATOM 547 OD1 ASP A 44 26.825 16.080 -4.012 1.00 0.00 O ATOM 548 OD2 ASP A 44 26.557 17.443 -5.697 1.00 0.00 O ATOM 0 H ASP A 44 24.505 15.127 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 44 22.896 17.510 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 44 25.003 18.687 -4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 44 25.160 17.510 -2.796 1.00 0.00 H new ATOM 553 N GLY A 45 23.667 16.115 -6.528 1.00 0.00 N ATOM 554 CA GLY A 45 23.474 16.190 -7.947 1.00 0.00 C ATOM 555 C GLY A 45 24.064 15.005 -8.666 1.00 0.00 C ATOM 556 O GLY A 45 24.977 14.349 -8.156 1.00 0.00 O ATOM 0 H GLY A 45 23.970 15.205 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.408 16.250 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.928 17.106 -8.326 1.00 0.00 H new ATOM 560 N CYS A 46 23.544 14.736 -9.839 1.00 0.00 N ATOM 561 CA CYS A 46 24.005 13.641 -10.664 1.00 0.00 C ATOM 562 C CYS A 46 25.403 13.943 -11.192 1.00 0.00 C ATOM 563 O CYS A 46 25.735 15.099 -11.471 1.00 0.00 O ATOM 564 CB CYS A 46 23.031 13.439 -11.822 1.00 0.00 C ATOM 565 SG CYS A 46 23.521 12.174 -13.003 1.00 0.00 S ATOM 0 H CYS A 46 22.783 15.274 -10.253 1.00 0.00 H new ATOM 0 HA CYS A 46 24.049 12.728 -10.071 1.00 0.00 H new ATOM 0 HB2 CYS A 46 22.054 13.179 -11.416 1.00 0.00 H new ATOM 0 HB3 CYS A 46 22.915 14.385 -12.351 1.00 0.00 H new ATOM 570 N LYS A 47 26.221 12.915 -11.324 1.00 0.00 N ATOM 571 CA LYS A 47 27.589 13.100 -11.773 1.00 0.00 C ATOM 572 C LYS A 47 27.809 12.502 -13.158 1.00 0.00 C ATOM 573 O LYS A 47 28.554 13.057 -13.974 1.00 0.00 O ATOM 574 CB LYS A 47 28.569 12.480 -10.767 1.00 0.00 C ATOM 575 CG LYS A 47 28.347 12.935 -9.327 1.00 0.00 C ATOM 576 CD LYS A 47 28.506 14.439 -9.186 1.00 0.00 C ATOM 577 CE LYS A 47 28.090 14.914 -7.806 1.00 0.00 C ATOM 578 NZ LYS A 47 28.231 16.382 -7.657 1.00 0.00 N ATOM 0 H LYS A 47 25.964 11.948 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 47 27.774 14.172 -11.838 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.482 11.394 -10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.587 12.731 -11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.349 12.642 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 29.057 12.430 -8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 47 29.544 14.715 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 47 27.904 14.942 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 47 27.054 14.629 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 47 28.697 14.413 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 27.603 16.716 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 29.216 16.614 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 27.972 16.848 -8.550 1.00 0.00 H new ATOM 592 N CYS A 48 27.155 11.387 -13.427 1.00 0.00 N ATOM 593 CA CYS A 48 27.326 10.695 -14.696 1.00 0.00 C ATOM 594 C CYS A 48 26.555 11.405 -15.817 1.00 0.00 C ATOM 595 O CYS A 48 27.043 11.519 -16.943 1.00 0.00 O ATOM 596 CB CYS A 48 26.862 9.247 -14.570 1.00 0.00 C ATOM 597 SG CYS A 48 25.089 9.030 -14.776 1.00 0.00 S ATOM 0 H CYS A 48 26.500 10.940 -12.786 1.00 0.00 H new ATOM 0 HA CYS A 48 28.385 10.708 -14.953 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.381 8.643 -15.314 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.154 8.866 -13.591 1.00 0.00 H new ATOM 602 N GLY A 49 25.355 11.882 -15.502 1.00 0.00 N ATOM 603 CA GLY A 49 24.553 12.572 -16.489 1.00 0.00 C ATOM 604 C GLY A 49 23.254 11.851 -16.827 1.00 0.00 C ATOM 605 O GLY A 49 22.520 12.280 -17.713 1.00 0.00 O ATOM 0 H GLY A 49 24.926 11.802 -14.580 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.320 13.572 -16.122 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.139 12.695 -17.400 1.00 0.00 H new ATOM 609 N LYS A 50 22.969 10.754 -16.133 1.00 0.00 N ATOM 610 CA LYS A 50 21.726 10.006 -16.359 1.00 0.00 C ATOM 611 C LYS A 50 20.623 10.524 -15.448 1.00 0.00 C ATOM 612 O LYS A 50 19.506 9.990 -15.437 1.00 0.00 O ATOM 613 CB LYS A 50 21.929 8.504 -16.110 1.00 0.00 C ATOM 614 CG LYS A 50 22.962 7.819 -17.012 1.00 0.00 C ATOM 615 CD LYS A 50 22.544 7.804 -18.477 1.00 0.00 C ATOM 616 CE LYS A 50 23.079 9.012 -19.229 1.00 0.00 C ATOM 617 NZ LYS A 50 22.675 8.998 -20.651 1.00 0.00 N ATOM 0 H LYS A 50 23.574 10.361 -15.412 1.00 0.00 H new ATOM 0 HA LYS A 50 21.437 10.152 -17.400 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.229 8.363 -15.072 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.971 8.000 -16.236 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.919 8.332 -16.917 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.114 6.795 -16.671 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.908 6.891 -18.949 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.456 7.786 -18.544 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.715 9.924 -18.757 1.00 0.00 H new ATOM 0 HE3 LYS A 50 24.167 9.030 -19.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.059 9.838 -21.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.044 8.140 -21.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.637 9.007 -20.717 1.00 0.00 H new ATOM 631 N GLU A 51 20.948 11.569 -14.689 1.00 0.00 N ATOM 632 CA GLU A 51 20.022 12.184 -13.745 1.00 0.00 C ATOM 633 C GLU A 51 19.648 11.211 -12.645 1.00 0.00 C ATOM 634 O GLU A 51 18.485 10.825 -12.500 1.00 0.00 O ATOM 635 CB GLU A 51 18.774 12.717 -14.447 1.00 0.00 C ATOM 636 CG GLU A 51 19.043 13.895 -15.358 1.00 0.00 C ATOM 637 CD GLU A 51 17.818 14.312 -16.123 1.00 0.00 C ATOM 638 OE1 GLU A 51 16.861 14.810 -15.497 1.00 0.00 O ATOM 639 OE2 GLU A 51 17.802 14.141 -17.353 1.00 0.00 O ATOM 0 H GLU A 51 21.866 12.014 -14.713 1.00 0.00 H new ATOM 0 HA GLU A 51 20.532 13.034 -13.292 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.325 11.913 -15.031 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.043 13.011 -13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.403 14.736 -14.765 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.837 13.636 -16.059 1.00 0.00 H new ATOM 646 N CYS A 52 20.640 10.790 -11.902 1.00 0.00 N ATOM 647 CA CYS A 52 20.438 9.893 -10.802 1.00 0.00 C ATOM 648 C CYS A 52 21.260 10.335 -9.607 1.00 0.00 C ATOM 649 O CYS A 52 22.351 10.886 -9.757 1.00 0.00 O ATOM 650 CB CYS A 52 20.804 8.471 -11.208 1.00 0.00 C ATOM 651 SG CYS A 52 22.434 8.315 -11.956 1.00 0.00 S ATOM 0 H CYS A 52 21.612 11.063 -12.047 1.00 0.00 H new ATOM 0 HA CYS A 52 19.385 9.912 -10.522 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.758 7.830 -10.328 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.057 8.102 -11.911 1.00 0.00 H new ATOM 656 N THR A 53 20.718 10.129 -8.434 1.00 0.00 N ATOM 657 CA THR A 53 21.390 10.472 -7.207 1.00 0.00 C ATOM 658 C THR A 53 21.312 9.295 -6.236 1.00 0.00 C ATOM 659 O THR A 53 20.579 9.330 -5.239 1.00 0.00 O ATOM 660 CB THR A 53 20.760 11.731 -6.564 1.00 0.00 C ATOM 661 OG1 THR A 53 19.342 11.544 -6.403 1.00 0.00 O ATOM 662 CG2 THR A 53 21.006 12.966 -7.422 1.00 0.00 C ATOM 0 H THR A 53 19.794 9.717 -8.303 1.00 0.00 H new ATOM 0 HA THR A 53 22.434 10.692 -7.432 1.00 0.00 H new ATOM 0 HB THR A 53 21.228 11.880 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.178 10.779 -5.813 1.00 0.00 H new ATOM 0 HG21 THR A 53 20.553 13.836 -6.946 1.00 0.00 H new ATOM 0 HG22 THR A 53 22.079 13.128 -7.527 1.00 0.00 H new ATOM 0 HG23 THR A 53 20.563 12.819 -8.407 1.00 0.00 H new ATOM 670 N GLY A 54 22.032 8.239 -6.556 1.00 0.00 N ATOM 671 CA GLY A 54 22.000 7.054 -5.734 1.00 0.00 C ATOM 672 C GLY A 54 21.142 5.954 -6.350 1.00 0.00 C ATOM 673 O GLY A 54 20.348 6.221 -7.257 1.00 0.00 O ATOM 0 H GLY A 54 22.640 8.180 -7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.015 6.684 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.611 7.307 -4.748 1.00 0.00 H new ATOM 677 N PRO A 55 21.269 4.702 -5.858 1.00 0.00 N ATOM 678 CA PRO A 55 20.511 3.532 -6.380 1.00 0.00 C ATOM 679 C PRO A 55 18.990 3.683 -6.236 1.00 0.00 C ATOM 680 O PRO A 55 18.227 2.916 -6.817 1.00 0.00 O ATOM 681 CB PRO A 55 21.011 2.366 -5.510 1.00 0.00 C ATOM 682 CG PRO A 55 21.586 3.011 -4.293 1.00 0.00 C ATOM 683 CD PRO A 55 22.161 4.317 -4.751 1.00 0.00 C ATOM 0 HA PRO A 55 20.677 3.398 -7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.197 1.690 -5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.761 1.775 -6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.819 3.167 -3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.355 2.382 -3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.159 5.060 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.193 4.209 -5.084 1.00 0.00 H new ATOM 691 N ASP A 56 18.565 4.683 -5.472 1.00 0.00 N ATOM 692 CA ASP A 56 17.143 4.936 -5.240 1.00 0.00 C ATOM 693 C ASP A 56 16.460 5.453 -6.499 1.00 0.00 C ATOM 694 O ASP A 56 15.244 5.333 -6.656 1.00 0.00 O ATOM 695 CB ASP A 56 16.957 5.950 -4.110 1.00 0.00 C ATOM 696 CG ASP A 56 17.587 5.502 -2.815 1.00 0.00 C ATOM 697 OD1 ASP A 56 16.956 4.718 -2.083 1.00 0.00 O ATOM 698 OD2 ASP A 56 18.721 5.933 -2.523 1.00 0.00 O ATOM 0 H ASP A 56 19.188 5.337 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 56 16.684 3.988 -4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.391 6.904 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.892 6.120 -3.951 1.00 0.00 H new ATOM 703 N SER A 57 17.238 6.047 -7.386 1.00 0.00 N ATOM 704 CA SER A 57 16.705 6.589 -8.624 1.00 0.00 C ATOM 705 C SER A 57 17.706 6.414 -9.760 1.00 0.00 C ATOM 706 O SER A 57 17.740 7.203 -10.703 1.00 0.00 O ATOM 707 CB SER A 57 16.359 8.069 -8.442 1.00 0.00 C ATOM 708 OG SER A 57 15.370 8.246 -7.434 1.00 0.00 O ATOM 0 H SER A 57 18.244 6.167 -7.272 1.00 0.00 H new ATOM 0 HA SER A 57 15.797 6.044 -8.881 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.258 8.625 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.998 8.480 -9.385 1.00 0.00 H new ATOM 0 HG SER A 57 15.169 9.200 -7.337 1.00 0.00 H new ATOM 714 N CYS A 58 18.505 5.373 -9.672 1.00 0.00 N ATOM 715 CA CYS A 58 19.503 5.102 -10.685 1.00 0.00 C ATOM 716 C CYS A 58 18.885 4.299 -11.826 1.00 0.00 C ATOM 717 O CYS A 58 18.555 3.120 -11.662 1.00 0.00 O ATOM 718 CB CYS A 58 20.692 4.347 -10.073 1.00 0.00 C ATOM 719 SG CYS A 58 22.113 4.144 -11.178 1.00 0.00 S ATOM 0 H CYS A 58 18.483 4.698 -8.907 1.00 0.00 H new ATOM 0 HA CYS A 58 19.868 6.048 -11.084 1.00 0.00 H new ATOM 0 HB2 CYS A 58 21.018 4.876 -9.178 1.00 0.00 H new ATOM 0 HB3 CYS A 58 20.353 3.361 -9.755 1.00 0.00 H new ATOM 724 N LYS A 59 18.719 4.950 -12.978 1.00 0.00 N ATOM 725 CA LYS A 59 18.134 4.305 -14.153 1.00 0.00 C ATOM 726 C LYS A 59 19.137 3.336 -14.740 1.00 0.00 C ATOM 727 O LYS A 59 18.784 2.370 -15.407 1.00 0.00 O ATOM 728 CB LYS A 59 17.784 5.346 -15.230 1.00 0.00 C ATOM 729 CG LYS A 59 16.988 6.549 -14.745 1.00 0.00 C ATOM 730 CD LYS A 59 16.675 7.489 -15.909 1.00 0.00 C ATOM 731 CE LYS A 59 16.009 8.779 -15.447 1.00 0.00 C ATOM 732 NZ LYS A 59 16.922 9.618 -14.627 1.00 0.00 N ATOM 0 H LYS A 59 18.982 5.925 -13.122 1.00 0.00 H new ATOM 0 HA LYS A 59 17.227 3.786 -13.844 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.710 5.703 -15.680 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.217 4.851 -16.018 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.060 6.215 -14.280 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.553 7.083 -13.981 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.597 7.728 -16.438 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.023 6.980 -16.619 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.678 9.347 -16.316 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.119 8.539 -14.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.616 10.611 -14.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.898 9.294 -13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.892 9.537 -14.994 1.00 0.00 H new ATOM 746 N CYS A 60 20.386 3.617 -14.475 1.00 0.00 N ATOM 747 CA CYS A 60 21.488 2.867 -15.002 1.00 0.00 C ATOM 748 C CYS A 60 21.494 1.428 -14.488 1.00 0.00 C ATOM 749 O CYS A 60 21.513 1.175 -13.277 1.00 0.00 O ATOM 750 CB CYS A 60 22.768 3.573 -14.616 1.00 0.00 C ATOM 751 SG CYS A 60 22.576 5.369 -14.529 1.00 0.00 S ATOM 0 H CYS A 60 20.668 4.391 -13.873 1.00 0.00 H new ATOM 0 HA CYS A 60 21.396 2.812 -16.087 1.00 0.00 H new ATOM 0 HB2 CYS A 60 23.106 3.201 -13.649 1.00 0.00 H new ATOM 0 HB3 CYS A 60 23.545 3.330 -15.341 1.00 0.00 H new ATOM 756 N GLY A 61 21.498 0.493 -15.411 1.00 0.00 N ATOM 757 CA GLY A 61 21.517 -0.905 -15.055 1.00 0.00 C ATOM 758 C GLY A 61 22.915 -1.452 -15.108 1.00 0.00 C ATOM 759 O GLY A 61 23.186 -2.407 -15.831 1.00 0.00 O ATOM 0 H GLY A 61 21.488 0.677 -16.414 1.00 0.00 H new ATOM 0 HA2 GLY A 61 21.109 -1.035 -14.053 1.00 0.00 H new ATOM 0 HA3 GLY A 61 20.876 -1.466 -15.735 1.00 0.00 H new ATOM 763 N SER A 62 23.808 -0.815 -14.351 1.00 0.00 N ATOM 764 CA SER A 62 25.220 -1.183 -14.303 1.00 0.00 C ATOM 765 C SER A 62 25.919 -0.878 -15.642 1.00 0.00 C ATOM 766 O SER A 62 25.280 -0.404 -16.590 1.00 0.00 O ATOM 767 CB SER A 62 25.382 -2.658 -13.906 1.00 0.00 C ATOM 768 OG SER A 62 24.755 -2.910 -12.654 1.00 0.00 O ATOM 0 H SER A 62 23.569 -0.025 -13.751 1.00 0.00 H new ATOM 0 HA SER A 62 25.705 -0.576 -13.538 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.945 -3.297 -14.673 1.00 0.00 H new ATOM 0 HB3 SER A 62 26.441 -2.910 -13.846 1.00 0.00 H new ATOM 0 HG SER A 62 24.866 -3.854 -12.417 1.00 0.00 H new ATOM 774 N SER A 63 27.237 -1.104 -15.691 1.00 0.00 N ATOM 775 CA SER A 63 28.037 -0.879 -16.905 1.00 0.00 C ATOM 776 C SER A 63 28.075 0.616 -17.294 1.00 0.00 C ATOM 777 O SER A 63 28.394 0.965 -18.431 1.00 0.00 O ATOM 778 CB SER A 63 27.492 -1.739 -18.069 1.00 0.00 C ATOM 779 OG SER A 63 28.301 -1.625 -19.230 1.00 0.00 O ATOM 0 H SER A 63 27.778 -1.446 -14.897 1.00 0.00 H new ATOM 0 HA SER A 63 29.062 -1.183 -16.694 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.445 -2.783 -17.759 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.473 -1.430 -18.304 1.00 0.00 H new ATOM 0 HG SER A 63 28.595 -0.696 -19.334 1.00 0.00 H new ATOM 785 N CYS A 64 27.770 1.484 -16.341 1.00 0.00 N ATOM 786 CA CYS A 64 27.762 2.917 -16.588 1.00 0.00 C ATOM 787 C CYS A 64 28.953 3.598 -15.896 1.00 0.00 C ATOM 788 O CYS A 64 29.678 2.964 -15.133 1.00 0.00 O ATOM 789 CB CYS A 64 26.434 3.518 -16.114 1.00 0.00 C ATOM 790 SG CYS A 64 26.263 5.294 -16.418 1.00 0.00 S ATOM 0 H CYS A 64 27.524 1.219 -15.387 1.00 0.00 H new ATOM 0 HA CYS A 64 27.861 3.090 -17.660 1.00 0.00 H new ATOM 0 HB2 CYS A 64 25.616 2.997 -16.611 1.00 0.00 H new ATOM 0 HB3 CYS A 64 26.327 3.333 -15.045 1.00 0.00 H new ATOM 795 N SER A 65 29.131 4.888 -16.161 1.00 0.00 N ATOM 796 CA SER A 65 30.239 5.665 -15.611 1.00 0.00 C ATOM 797 C SER A 65 30.197 5.714 -14.081 1.00 0.00 C ATOM 798 O SER A 65 31.230 5.653 -13.423 1.00 0.00 O ATOM 799 CB SER A 65 30.191 7.082 -16.173 1.00 0.00 C ATOM 800 OG SER A 65 30.030 7.058 -17.581 1.00 0.00 O ATOM 0 H SER A 65 28.510 5.427 -16.765 1.00 0.00 H new ATOM 0 HA SER A 65 31.169 5.176 -15.900 1.00 0.00 H new ATOM 0 HB2 SER A 65 29.367 7.631 -15.717 1.00 0.00 H new ATOM 0 HB3 SER A 65 31.108 7.612 -15.916 1.00 0.00 H new ATOM 0 HG SER A 65 30.000 7.976 -17.922 1.00 0.00 H new ATOM 806 N CYS A 66 28.999 5.808 -13.525 1.00 0.00 N ATOM 807 CA CYS A 66 28.827 5.896 -12.077 1.00 0.00 C ATOM 808 C CYS A 66 28.822 4.502 -11.434 1.00 0.00 C ATOM 809 O CYS A 66 28.385 4.330 -10.291 1.00 0.00 O ATOM 810 CB CYS A 66 27.524 6.622 -11.766 1.00 0.00 C ATOM 811 SG CYS A 66 26.053 5.740 -12.313 1.00 0.00 S ATOM 0 H CYS A 66 28.127 5.826 -14.054 1.00 0.00 H new ATOM 0 HA CYS A 66 29.666 6.453 -11.660 1.00 0.00 H new ATOM 0 HB2 CYS A 66 27.459 6.787 -10.691 1.00 0.00 H new ATOM 0 HB3 CYS A 66 27.544 7.604 -12.239 1.00 0.00 H new ATOM 816 N LYS A 67 29.314 3.514 -12.167 1.00 0.00 N ATOM 817 CA LYS A 67 29.352 2.140 -11.688 1.00 0.00 C ATOM 818 C LYS A 67 30.794 1.656 -11.541 1.00 0.00 C ATOM 819 O LYS A 67 31.392 1.268 -12.583 1.00 0.00 O ATOM 820 CB LYS A 67 28.585 1.234 -12.655 1.00 0.00 C ATOM 821 CG LYS A 67 27.127 1.627 -12.833 1.00 0.00 C ATOM 822 CD LYS A 67 26.313 1.292 -11.600 1.00 0.00 C ATOM 823 CE LYS A 67 24.887 1.810 -11.710 1.00 0.00 C ATOM 824 NZ LYS A 67 24.821 3.285 -11.567 1.00 0.00 N ATOM 0 H LYS A 67 29.696 3.640 -13.104 1.00 0.00 H new ATOM 0 HA LYS A 67 28.879 2.100 -10.707 1.00 0.00 H new ATOM 0 HB2 LYS A 67 29.079 1.254 -13.627 1.00 0.00 H new ATOM 0 HB3 LYS A 67 28.634 0.207 -12.293 1.00 0.00 H new ATOM 0 HG2 LYS A 67 27.058 2.695 -13.038 1.00 0.00 H new ATOM 0 HG3 LYS A 67 26.711 1.109 -13.698 1.00 0.00 H new ATOM 0 HD2 LYS A 67 26.298 0.212 -11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 67 26.790 1.724 -10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.469 1.520 -12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 67 24.271 1.343 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.831 3.596 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 25.212 3.562 -10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 25.374 3.732 -12.326 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 16.865 -6.924 -10.369 1.00 0.00 CD HETATM 840 CD CD A 102 18.390 -7.530 -6.655 1.00 0.00 CD HETATM 841 CD CD A 103 20.759 -7.973 -9.783 1.00 0.00 CD HETATM 842 CD CD A 104 23.753 6.178 -11.002 1.00 0.00 CD HETATM 843 CD CD A 105 25.042 6.354 -14.477 1.00 0.00 CD HETATM 844 CD CD A 106 24.289 9.850 -12.608 1.00 0.00 CD