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+ -161:sc= -0.0186 (180deg=-0.32) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -151:sc= 2.47 (180deg=1.07) USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= 1.19 (180deg=0.975) USER MOD Single : A 11 THR OG1 : rot -134:sc= 0.954 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 69:sc= 0.688 USER MOD Single : A 20 GLN : amide:sc= -0.0154 K(o=-0.015,f=-0.7) 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 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -42:sc= 0.594 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= 1.22 (180deg=1.14) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0615 USER MOD Single : A 40 ASN : amide:sc= 0.965 K(o=0.97,f=0) 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+ 163:sc= 0.797 (180deg=0.618) USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= 0.836 (180deg=-0.612) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.0859 (180deg=-0.495) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -157:sc= 2.35 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.425 -9.900 -6.126 1.00 0.00 N ATOM 2 CA GLY A 1 7.983 -10.285 -4.755 1.00 0.00 C ATOM 3 C GLY A 1 6.831 -9.429 -4.252 1.00 0.00 C ATOM 4 O GLY A 1 6.821 -8.208 -4.460 1.00 0.00 O ATOM 0 H1 GLY A 1 8.966 -10.681 -6.549 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.592 -9.697 -6.715 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.026 -9.053 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.680 -11.332 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.824 -10.197 -4.067 1.00 0.00 H new ATOM 7 N SER A 2 5.855 -10.075 -3.600 1.00 0.00 N ATOM 8 CA SER A 2 4.686 -9.393 -3.040 1.00 0.00 C ATOM 9 C SER A 2 3.875 -8.669 -4.123 1.00 0.00 C ATOM 10 O SER A 2 3.222 -7.654 -3.855 1.00 0.00 O ATOM 11 CB SER A 2 5.119 -8.408 -1.946 1.00 0.00 C ATOM 12 OG SER A 2 5.776 -9.085 -0.879 1.00 0.00 O ATOM 0 H SER A 2 5.856 -11.084 -3.447 1.00 0.00 H new ATOM 0 HA SER A 2 4.039 -10.152 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.786 -7.658 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.247 -7.878 -1.563 1.00 0.00 H new ATOM 0 HG SER A 2 6.044 -8.436 -0.195 1.00 0.00 H new ATOM 18 N GLY A 3 3.886 -9.208 -5.332 1.00 0.00 N ATOM 19 CA GLY A 3 3.166 -8.575 -6.406 1.00 0.00 C ATOM 20 C GLY A 3 3.334 -9.279 -7.729 1.00 0.00 C ATOM 21 O GLY A 3 2.998 -10.453 -7.864 1.00 0.00 O ATOM 0 H GLY A 3 4.378 -10.066 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.106 -8.539 -6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.506 -7.544 -6.505 1.00 0.00 H new ATOM 25 N LYS A 4 3.869 -8.565 -8.703 1.00 0.00 N ATOM 26 CA LYS A 4 4.032 -9.096 -10.050 1.00 0.00 C ATOM 27 C LYS A 4 5.472 -9.506 -10.317 1.00 0.00 C ATOM 28 O LYS A 4 5.831 -9.854 -11.444 1.00 0.00 O ATOM 29 CB LYS A 4 3.571 -8.061 -11.074 1.00 0.00 C ATOM 30 CG LYS A 4 2.085 -7.753 -10.990 1.00 0.00 C ATOM 31 CD LYS A 4 1.702 -6.541 -11.824 1.00 0.00 C ATOM 32 CE LYS A 4 2.365 -5.276 -11.304 1.00 0.00 C ATOM 33 NZ LYS A 4 1.812 -4.057 -11.935 1.00 0.00 N ATOM 0 H LYS A 4 4.201 -7.608 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 4 3.415 -9.990 -10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.135 -7.140 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.804 -8.422 -12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.516 -8.619 -11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.810 -7.578 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.993 -6.705 -12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.619 -6.417 -11.812 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.233 -5.216 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.438 -5.326 -11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.293 -3.219 -11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.960 -4.101 -12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.793 -3.994 -11.735 1.00 0.00 H new ATOM 47 N GLY A 5 6.292 -9.456 -9.289 1.00 0.00 N ATOM 48 CA GLY A 5 7.669 -9.861 -9.431 1.00 0.00 C ATOM 49 C GLY A 5 8.626 -8.699 -9.340 1.00 0.00 C ATOM 50 O GLY A 5 8.216 -7.537 -9.412 1.00 0.00 O ATOM 0 H GLY A 5 6.030 -9.141 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.912 -10.589 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.800 -10.361 -10.391 1.00 0.00 H new ATOM 54 N LYS A 6 9.900 -9.009 -9.185 1.00 0.00 N ATOM 55 CA LYS A 6 10.932 -7.994 -9.075 1.00 0.00 C ATOM 56 C LYS A 6 11.256 -7.399 -10.438 1.00 0.00 C ATOM 57 O LYS A 6 11.649 -6.236 -10.544 1.00 0.00 O ATOM 58 CB LYS A 6 12.191 -8.589 -8.441 1.00 0.00 C ATOM 59 CG LYS A 6 11.967 -9.148 -7.040 1.00 0.00 C ATOM 60 CD LYS A 6 13.220 -9.823 -6.495 1.00 0.00 C ATOM 61 CE LYS A 6 14.372 -8.843 -6.365 1.00 0.00 C ATOM 62 NZ LYS A 6 15.599 -9.488 -5.839 1.00 0.00 N ATOM 0 H LYS A 6 10.248 -9.966 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 6 10.559 -7.194 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.569 -9.384 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.963 -7.820 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.667 -8.342 -6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.147 -9.866 -7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.003 -10.262 -5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.510 -10.640 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.584 -8.403 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.080 -8.027 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.163 -8.787 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.336 -10.266 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.160 -9.864 -6.630 1.00 0.00 H new ATOM 76 N GLY A 7 11.067 -8.192 -11.470 1.00 0.00 N ATOM 77 CA GLY A 7 11.343 -7.751 -12.816 1.00 0.00 C ATOM 78 C GLY A 7 11.631 -8.920 -13.723 1.00 0.00 C ATOM 79 O GLY A 7 11.618 -10.076 -13.276 1.00 0.00 O ATOM 0 H GLY A 7 10.722 -9.149 -11.400 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.491 -7.190 -13.200 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.195 -7.072 -12.812 1.00 0.00 H new ATOM 83 N GLU A 8 11.884 -8.649 -14.991 1.00 0.00 N ATOM 84 CA GLU A 8 12.176 -9.714 -15.931 1.00 0.00 C ATOM 85 C GLU A 8 13.596 -9.602 -16.455 1.00 0.00 C ATOM 86 O GLU A 8 14.181 -10.578 -16.908 1.00 0.00 O ATOM 87 CB GLU A 8 11.170 -9.723 -17.076 1.00 0.00 C ATOM 88 CG GLU A 8 11.174 -11.017 -17.868 1.00 0.00 C ATOM 89 CD GLU A 8 10.142 -11.030 -18.961 1.00 0.00 C ATOM 90 OE1 GLU A 8 10.484 -10.677 -20.109 1.00 0.00 O ATOM 91 OE2 GLU A 8 8.975 -11.395 -18.683 1.00 0.00 O ATOM 0 H GLU A 8 11.893 -7.710 -15.390 1.00 0.00 H new ATOM 0 HA GLU A 8 12.088 -10.662 -15.401 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.171 -9.554 -16.674 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.388 -8.893 -17.748 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.161 -11.168 -18.304 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.992 -11.853 -17.192 1.00 0.00 H new ATOM 98 N LYS A 9 14.155 -8.414 -16.376 1.00 0.00 N ATOM 99 CA LYS A 9 15.533 -8.201 -16.783 1.00 0.00 C ATOM 100 C LYS A 9 16.468 -8.589 -15.664 1.00 0.00 C ATOM 101 O LYS A 9 17.688 -8.449 -15.770 1.00 0.00 O ATOM 102 CB LYS A 9 15.749 -6.761 -17.189 1.00 0.00 C ATOM 103 CG LYS A 9 15.058 -6.416 -18.496 1.00 0.00 C ATOM 104 CD LYS A 9 15.263 -4.971 -18.897 1.00 0.00 C ATOM 105 CE LYS A 9 14.493 -4.657 -20.170 1.00 0.00 C ATOM 106 NZ LYS A 9 14.666 -3.252 -20.599 1.00 0.00 N ATOM 0 H LYS A 9 13.679 -7.579 -16.034 1.00 0.00 H new ATOM 0 HA LYS A 9 15.747 -8.830 -17.647 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.378 -6.105 -16.401 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.818 -6.570 -17.285 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.436 -7.066 -19.285 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.991 -6.616 -18.402 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.931 -4.314 -18.093 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.325 -4.777 -19.050 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.827 -5.322 -20.967 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.434 -4.858 -20.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.856 -2.966 -21.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.721 -2.638 -19.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.543 -3.163 -21.152 1.00 0.00 H new ATOM 120 N CYS A 10 15.878 -9.069 -14.590 1.00 0.00 N ATOM 121 CA CYS A 10 16.612 -9.528 -13.449 1.00 0.00 C ATOM 122 C CYS A 10 17.255 -10.851 -13.743 1.00 0.00 C ATOM 123 O CYS A 10 16.722 -11.662 -14.515 1.00 0.00 O ATOM 124 CB CYS A 10 15.686 -9.675 -12.262 1.00 0.00 C ATOM 125 SG CYS A 10 14.716 -8.213 -11.932 1.00 0.00 S ATOM 0 H CYS A 10 14.866 -9.149 -14.492 1.00 0.00 H new ATOM 0 HA CYS A 10 17.386 -8.796 -13.218 1.00 0.00 H new ATOM 0 HB2 CYS A 10 15.014 -10.515 -12.437 1.00 0.00 H new ATOM 0 HB3 CYS A 10 16.276 -9.917 -11.378 1.00 0.00 H new ATOM 130 N THR A 11 18.371 -11.079 -13.123 1.00 0.00 N ATOM 131 CA THR A 11 19.107 -12.289 -13.294 1.00 0.00 C ATOM 132 C THR A 11 18.436 -13.392 -12.499 1.00 0.00 C ATOM 133 O THR A 11 17.609 -13.111 -11.624 1.00 0.00 O ATOM 134 CB THR A 11 20.529 -12.096 -12.778 1.00 0.00 C ATOM 135 OG1 THR A 11 20.492 -11.867 -11.363 1.00 0.00 O ATOM 136 CG2 THR A 11 21.164 -10.907 -13.468 1.00 0.00 C ATOM 0 H THR A 11 18.801 -10.419 -12.475 1.00 0.00 H new ATOM 0 HA THR A 11 19.135 -12.555 -14.351 1.00 0.00 H new ATOM 0 HB THR A 11 21.117 -12.989 -12.988 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.076 -11.113 -11.138 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.180 -10.771 -13.097 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.190 -11.082 -14.544 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.579 -10.011 -13.260 1.00 0.00 H new ATOM 144 N SER A 12 18.775 -14.632 -12.779 1.00 0.00 N ATOM 145 CA SER A 12 18.224 -15.739 -12.026 1.00 0.00 C ATOM 146 C SER A 12 18.668 -15.626 -10.568 1.00 0.00 C ATOM 147 O SER A 12 17.993 -16.106 -9.650 1.00 0.00 O ATOM 148 CB SER A 12 18.673 -17.065 -12.633 1.00 0.00 C ATOM 149 OG SER A 12 18.351 -17.116 -14.016 1.00 0.00 O ATOM 0 H SER A 12 19.426 -14.899 -13.518 1.00 0.00 H new ATOM 0 HA SER A 12 17.135 -15.705 -12.067 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.748 -17.187 -12.500 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.191 -17.892 -12.111 1.00 0.00 H new ATOM 0 HG SER A 12 18.647 -17.972 -14.390 1.00 0.00 H new ATOM 155 N ALA A 13 19.791 -14.950 -10.374 1.00 0.00 N ATOM 156 CA ALA A 13 20.334 -14.702 -9.059 1.00 0.00 C ATOM 157 C ALA A 13 19.430 -13.740 -8.282 1.00 0.00 C ATOM 158 O ALA A 13 19.102 -13.981 -7.122 1.00 0.00 O ATOM 159 CB ALA A 13 21.740 -14.132 -9.185 1.00 0.00 C ATOM 0 H ALA A 13 20.349 -14.559 -11.133 1.00 0.00 H new ATOM 0 HA ALA A 13 20.382 -15.642 -8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.147 -13.946 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.376 -14.845 -9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.705 -13.197 -9.744 1.00 0.00 H new ATOM 165 N CYS A 14 19.020 -12.659 -8.935 1.00 0.00 N ATOM 166 CA CYS A 14 18.145 -11.670 -8.310 1.00 0.00 C ATOM 167 C CYS A 14 16.741 -12.229 -8.108 1.00 0.00 C ATOM 168 O CYS A 14 16.038 -11.847 -7.169 1.00 0.00 O ATOM 169 CB CYS A 14 18.073 -10.395 -9.151 1.00 0.00 C ATOM 170 SG CYS A 14 16.989 -9.126 -8.458 1.00 0.00 S ATOM 0 H CYS A 14 19.279 -12.443 -9.898 1.00 0.00 H new ATOM 0 HA CYS A 14 18.570 -11.428 -7.336 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.077 -9.984 -9.258 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.725 -10.650 -10.152 1.00 0.00 H new ATOM 175 N ARG A 15 16.336 -13.142 -8.986 1.00 0.00 N ATOM 176 CA ARG A 15 15.010 -13.754 -8.902 1.00 0.00 C ATOM 177 C ARG A 15 14.917 -14.700 -7.705 1.00 0.00 C ATOM 178 O ARG A 15 13.839 -15.188 -7.370 1.00 0.00 O ATOM 179 CB ARG A 15 14.672 -14.498 -10.197 1.00 0.00 C ATOM 180 CG ARG A 15 14.672 -13.612 -11.433 1.00 0.00 C ATOM 181 CD ARG A 15 14.385 -14.413 -12.688 1.00 0.00 C ATOM 182 NE ARG A 15 14.580 -13.622 -13.906 1.00 0.00 N ATOM 183 CZ ARG A 15 14.050 -13.929 -15.093 1.00 0.00 C ATOM 184 NH1 ARG A 15 13.295 -15.010 -15.229 1.00 0.00 N ATOM 185 NH2 ARG A 15 14.285 -13.161 -16.139 1.00 0.00 N ATOM 0 H ARG A 15 16.905 -13.475 -9.764 1.00 0.00 H new ATOM 0 HA ARG A 15 14.282 -12.955 -8.762 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.391 -15.304 -10.340 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.691 -14.961 -10.093 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.923 -12.828 -11.321 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.639 -13.118 -11.528 1.00 0.00 H new ATOM 0 HD2 ARG A 15 15.036 -15.287 -12.716 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.359 -14.781 -12.656 1.00 0.00 H new ATOM 0 HE ARG A 15 15.157 -12.783 -13.843 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.116 -15.612 -14.425 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.893 -15.240 -16.138 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.872 -12.332 -16.042 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.880 -13.396 -17.045 1.00 0.00 H new ATOM 199 N SER A 16 16.047 -14.953 -7.074 1.00 0.00 N ATOM 200 CA SER A 16 16.095 -15.798 -5.901 1.00 0.00 C ATOM 201 C SER A 16 15.925 -14.946 -4.639 1.00 0.00 C ATOM 202 O SER A 16 16.016 -13.716 -4.697 1.00 0.00 O ATOM 203 CB SER A 16 17.420 -16.556 -5.865 1.00 0.00 C ATOM 204 OG SER A 16 17.615 -17.295 -7.065 1.00 0.00 O ATOM 0 H SER A 16 16.952 -14.580 -7.360 1.00 0.00 H new ATOM 0 HA SER A 16 15.281 -16.522 -5.942 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.242 -15.853 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.433 -17.232 -5.010 1.00 0.00 H new ATOM 0 HG SER A 16 17.767 -16.676 -7.809 1.00 0.00 H new ATOM 210 N GLU A 17 15.671 -15.587 -3.515 1.00 0.00 N ATOM 211 CA GLU A 17 15.495 -14.872 -2.261 1.00 0.00 C ATOM 212 C GLU A 17 16.323 -15.516 -1.140 1.00 0.00 C ATOM 213 O GLU A 17 16.146 -16.698 -0.831 1.00 0.00 O ATOM 214 CB GLU A 17 14.008 -14.803 -1.878 1.00 0.00 C ATOM 215 CG GLU A 17 13.315 -16.155 -1.816 1.00 0.00 C ATOM 216 CD GLU A 17 11.860 -16.043 -1.435 1.00 0.00 C ATOM 217 OE1 GLU A 17 10.994 -16.223 -2.315 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.570 -15.780 -0.249 1.00 0.00 O ATOM 0 H GLU A 17 15.581 -16.600 -3.442 1.00 0.00 H new ATOM 0 HA GLU A 17 15.856 -13.853 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.917 -14.316 -0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.488 -14.174 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.396 -16.646 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.828 -16.790 -1.094 1.00 0.00 H new ATOM 225 N PRO A 18 17.254 -14.754 -0.526 1.00 0.00 N ATOM 226 CA PRO A 18 17.512 -13.350 -0.872 1.00 0.00 C ATOM 227 C PRO A 18 18.252 -13.214 -2.201 1.00 0.00 C ATOM 228 O PRO A 18 18.526 -14.211 -2.875 1.00 0.00 O ATOM 229 CB PRO A 18 18.401 -12.842 0.280 1.00 0.00 C ATOM 230 CG PRO A 18 18.418 -13.942 1.295 1.00 0.00 C ATOM 231 CD PRO A 18 18.128 -15.209 0.550 1.00 0.00 C ATOM 0 HA PRO A 18 16.586 -12.788 -0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.408 -12.619 -0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 18 18.001 -11.922 0.707 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.386 -13.997 1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.671 -13.767 2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 18 19.038 -15.670 0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.639 -15.949 1.184 1.00 0.00 H new ATOM 239 N CYS A 19 18.576 -11.983 -2.566 1.00 0.00 N ATOM 240 CA CYS A 19 19.249 -11.717 -3.821 1.00 0.00 C ATOM 241 C CYS A 19 20.593 -12.413 -3.878 1.00 0.00 C ATOM 242 O CYS A 19 21.331 -12.450 -2.889 1.00 0.00 O ATOM 243 CB CYS A 19 19.446 -10.226 -4.030 1.00 0.00 C ATOM 244 SG CYS A 19 20.215 -9.838 -5.608 1.00 0.00 S ATOM 0 H CYS A 19 18.382 -11.152 -2.007 1.00 0.00 H new ATOM 0 HA CYS A 19 18.613 -12.107 -4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.480 -9.725 -3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 19 20.063 -9.829 -3.223 1.00 0.00 H new ATOM 249 N GLN A 20 20.911 -12.955 -5.030 1.00 0.00 N ATOM 250 CA GLN A 20 22.153 -13.661 -5.212 1.00 0.00 C ATOM 251 C GLN A 20 23.092 -12.898 -6.151 1.00 0.00 C ATOM 252 O GLN A 20 24.111 -13.428 -6.585 1.00 0.00 O ATOM 253 CB GLN A 20 21.879 -15.071 -5.735 1.00 0.00 C ATOM 254 CG GLN A 20 20.967 -15.884 -4.826 1.00 0.00 C ATOM 255 CD GLN A 20 21.579 -16.130 -3.462 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.798 -16.216 -3.322 1.00 0.00 O ATOM 257 NE2 GLN A 20 20.744 -16.239 -2.453 1.00 0.00 N ATOM 0 H GLN A 20 20.320 -12.919 -5.860 1.00 0.00 H new ATOM 0 HA GLN A 20 22.652 -13.738 -4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.427 -15.003 -6.724 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.826 -15.598 -5.853 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.018 -15.361 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.746 -16.841 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 20 19.739 -16.162 -2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.101 -16.401 -1.511 1.00 0.00 H new ATOM 266 N CYS A 21 22.756 -11.640 -6.442 1.00 0.00 N ATOM 267 CA CYS A 21 23.591 -10.797 -7.305 1.00 0.00 C ATOM 268 C CYS A 21 24.730 -10.165 -6.506 1.00 0.00 C ATOM 269 O CYS A 21 25.240 -9.106 -6.865 1.00 0.00 O ATOM 270 CB CYS A 21 22.752 -9.688 -7.941 1.00 0.00 C ATOM 271 SG CYS A 21 21.396 -10.260 -8.987 1.00 0.00 S ATOM 0 H CYS A 21 21.914 -11.182 -6.094 1.00 0.00 H new ATOM 0 HA CYS A 21 24.010 -11.431 -8.086 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.340 -9.064 -7.147 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.408 -9.054 -8.537 1.00 0.00 H new ATOM 276 N GLY A 22 25.132 -10.836 -5.431 1.00 0.00 N ATOM 277 CA GLY A 22 26.187 -10.328 -4.567 1.00 0.00 C ATOM 278 C GLY A 22 27.481 -10.069 -5.309 1.00 0.00 C ATOM 279 O GLY A 22 28.094 -9.022 -5.147 1.00 0.00 O ATOM 0 H GLY A 22 24.742 -11.732 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.852 -9.403 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.370 -11.044 -3.766 1.00 0.00 H new ATOM 283 N SER A 23 27.902 -11.023 -6.115 1.00 0.00 N ATOM 284 CA SER A 23 29.119 -10.877 -6.893 1.00 0.00 C ATOM 285 C SER A 23 28.859 -11.187 -8.358 1.00 0.00 C ATOM 286 O SER A 23 29.776 -11.551 -9.099 1.00 0.00 O ATOM 287 CB SER A 23 30.209 -11.791 -6.337 1.00 0.00 C ATOM 288 OG SER A 23 30.454 -11.515 -4.963 1.00 0.00 O ATOM 0 H SER A 23 27.419 -11.911 -6.250 1.00 0.00 H new ATOM 0 HA SER A 23 29.457 -9.843 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 23 29.910 -12.833 -6.455 1.00 0.00 H new ATOM 0 HB3 SER A 23 31.128 -11.656 -6.908 1.00 0.00 H new ATOM 0 HG SER A 23 31.154 -12.114 -4.629 1.00 0.00 H new ATOM 294 N LYS A 24 27.616 -11.015 -8.774 1.00 0.00 N ATOM 295 CA LYS A 24 27.228 -11.289 -10.143 1.00 0.00 C ATOM 296 C LYS A 24 25.869 -10.669 -10.454 1.00 0.00 C ATOM 297 O LYS A 24 24.829 -11.247 -10.148 1.00 0.00 O ATOM 298 CB LYS A 24 27.183 -12.802 -10.383 1.00 0.00 C ATOM 299 CG LYS A 24 26.852 -13.192 -11.807 1.00 0.00 C ATOM 300 CD LYS A 24 26.716 -14.700 -11.946 1.00 0.00 C ATOM 301 CE LYS A 24 26.349 -15.103 -13.364 1.00 0.00 C ATOM 302 NZ LYS A 24 26.190 -16.575 -13.496 1.00 0.00 N ATOM 0 H LYS A 24 26.856 -10.685 -8.178 1.00 0.00 H new ATOM 0 HA LYS A 24 27.969 -10.844 -10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.149 -13.230 -10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.443 -13.243 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.923 -12.711 -12.112 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.633 -12.831 -12.477 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.654 -15.178 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.954 -15.062 -11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 24 25.421 -14.610 -13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.121 -14.758 -14.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 25.940 -16.811 -14.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.083 -17.045 -13.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 25.436 -16.901 -12.859 1.00 0.00 H new ATOM 316 N CYS A 25 25.883 -9.486 -11.034 1.00 0.00 N ATOM 317 CA CYS A 25 24.657 -8.808 -11.399 1.00 0.00 C ATOM 318 C CYS A 25 24.643 -8.493 -12.887 1.00 0.00 C ATOM 319 O CYS A 25 25.686 -8.216 -13.483 1.00 0.00 O ATOM 320 CB CYS A 25 24.486 -7.526 -10.582 1.00 0.00 C ATOM 321 SG CYS A 25 22.902 -6.694 -10.841 1.00 0.00 S ATOM 0 H CYS A 25 26.734 -8.973 -11.263 1.00 0.00 H new ATOM 0 HA CYS A 25 23.821 -9.472 -11.178 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.590 -7.765 -9.524 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.292 -6.837 -10.834 1.00 0.00 H new ATOM 326 N GLN A 26 23.462 -8.546 -13.480 1.00 0.00 N ATOM 327 CA GLN A 26 23.297 -8.280 -14.902 1.00 0.00 C ATOM 328 C GLN A 26 21.916 -7.685 -15.161 1.00 0.00 C ATOM 329 O GLN A 26 21.449 -7.637 -16.298 1.00 0.00 O ATOM 330 CB GLN A 26 23.440 -9.578 -15.696 1.00 0.00 C ATOM 331 CG GLN A 26 23.706 -9.364 -17.174 1.00 0.00 C ATOM 332 CD GLN A 26 23.690 -10.652 -17.963 1.00 0.00 C ATOM 333 OE1 GLN A 26 24.722 -11.294 -18.147 1.00 0.00 O ATOM 334 NE2 GLN A 26 22.520 -11.046 -18.428 1.00 0.00 N ATOM 0 H GLN A 26 22.594 -8.773 -12.994 1.00 0.00 H new ATOM 0 HA GLN A 26 24.065 -7.574 -15.218 1.00 0.00 H new ATOM 0 HB2 GLN A 26 24.254 -10.165 -15.271 1.00 0.00 H new ATOM 0 HB3 GLN A 26 22.529 -10.166 -15.581 1.00 0.00 H new ATOM 0 HG2 GLN A 26 22.955 -8.685 -17.579 1.00 0.00 H new ATOM 0 HG3 GLN A 26 24.674 -8.879 -17.298 1.00 0.00 H new ATOM 0 HE21 GLN A 26 21.687 -10.484 -18.254 1.00 0.00 H new ATOM 0 HE22 GLN A 26 22.449 -11.912 -18.962 1.00 0.00 H new ATOM 343 N CYS A 27 21.267 -7.241 -14.103 1.00 0.00 N ATOM 344 CA CYS A 27 19.920 -6.700 -14.206 1.00 0.00 C ATOM 345 C CYS A 27 19.855 -5.473 -15.085 1.00 0.00 C ATOM 346 O CYS A 27 20.777 -4.654 -15.110 1.00 0.00 O ATOM 347 CB CYS A 27 19.358 -6.385 -12.830 1.00 0.00 C ATOM 348 SG CYS A 27 19.023 -7.841 -11.850 1.00 0.00 S ATOM 0 H CYS A 27 21.650 -7.243 -13.157 1.00 0.00 H new ATOM 0 HA CYS A 27 19.310 -7.471 -14.676 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.063 -5.750 -12.294 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.437 -5.813 -12.944 1.00 0.00 H new ATOM 353 N GLY A 28 18.771 -5.375 -15.827 1.00 0.00 N ATOM 354 CA GLY A 28 18.537 -4.232 -16.667 1.00 0.00 C ATOM 355 C GLY A 28 17.877 -3.120 -15.885 1.00 0.00 C ATOM 356 O GLY A 28 17.960 -3.088 -14.660 1.00 0.00 O ATOM 0 H GLY A 28 18.037 -6.082 -15.861 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.481 -3.880 -17.082 1.00 0.00 H new ATOM 0 HA3 GLY A 28 17.905 -4.516 -17.508 1.00 0.00 H new ATOM 360 N GLU A 29 17.205 -2.216 -16.571 1.00 0.00 N ATOM 361 CA GLU A 29 16.511 -1.132 -15.886 1.00 0.00 C ATOM 362 C GLU A 29 15.192 -1.620 -15.285 1.00 0.00 C ATOM 363 O GLU A 29 14.507 -0.887 -14.571 1.00 0.00 O ATOM 364 CB GLU A 29 16.300 0.080 -16.821 1.00 0.00 C ATOM 365 CG GLU A 29 15.738 -0.251 -18.206 1.00 0.00 C ATOM 366 CD GLU A 29 14.313 -0.753 -18.174 1.00 0.00 C ATOM 367 OE1 GLU A 29 14.105 -1.960 -18.382 1.00 0.00 O ATOM 368 OE2 GLU A 29 13.397 0.057 -17.937 1.00 0.00 O ATOM 0 H GLU A 29 17.122 -2.205 -17.588 1.00 0.00 H new ATOM 0 HA GLU A 29 17.142 -0.796 -15.063 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.625 0.782 -16.332 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.255 0.591 -16.947 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.787 0.640 -18.832 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.370 -1.005 -18.675 1.00 0.00 H new ATOM 375 N GLY A 30 14.858 -2.870 -15.568 1.00 0.00 N ATOM 376 CA GLY A 30 13.638 -3.455 -15.065 1.00 0.00 C ATOM 377 C GLY A 30 13.860 -4.234 -13.792 1.00 0.00 C ATOM 378 O GLY A 30 13.510 -5.409 -13.707 1.00 0.00 O ATOM 0 H GLY A 30 15.421 -3.495 -16.145 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.907 -2.667 -14.883 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.214 -4.114 -15.823 1.00 0.00 H new ATOM 382 N CYS A 31 14.455 -3.581 -12.814 1.00 0.00 N ATOM 383 CA CYS A 31 14.708 -4.186 -11.522 1.00 0.00 C ATOM 384 C CYS A 31 14.190 -3.275 -10.424 1.00 0.00 C ATOM 385 O CYS A 31 14.210 -2.046 -10.565 1.00 0.00 O ATOM 386 CB CYS A 31 16.212 -4.450 -11.329 1.00 0.00 C ATOM 387 SG CYS A 31 16.656 -5.137 -9.706 1.00 0.00 S ATOM 0 H CYS A 31 14.777 -2.616 -12.893 1.00 0.00 H new ATOM 0 HA CYS A 31 14.187 -5.142 -11.474 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.550 -5.137 -12.105 1.00 0.00 H new ATOM 0 HB3 CYS A 31 16.753 -3.515 -11.474 1.00 0.00 H new ATOM 392 N THR A 32 13.706 -3.864 -9.355 1.00 0.00 N ATOM 393 CA THR A 32 13.195 -3.103 -8.234 1.00 0.00 C ATOM 394 C THR A 32 13.923 -3.506 -6.950 1.00 0.00 C ATOM 395 O THR A 32 13.491 -3.179 -5.841 1.00 0.00 O ATOM 396 CB THR A 32 11.660 -3.315 -8.066 1.00 0.00 C ATOM 397 OG1 THR A 32 11.135 -2.419 -7.077 1.00 0.00 O ATOM 398 CG2 THR A 32 11.346 -4.748 -7.660 1.00 0.00 C ATOM 0 H THR A 32 13.655 -4.876 -9.236 1.00 0.00 H new ATOM 0 HA THR A 32 13.373 -2.046 -8.432 1.00 0.00 H new ATOM 0 HB THR A 32 11.192 -3.110 -9.029 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.745 -2.383 -6.311 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.268 -4.867 -7.550 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.710 -5.432 -8.427 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.835 -4.973 -6.712 1.00 0.00 H new ATOM 406 N CYS A 33 15.036 -4.198 -7.107 1.00 0.00 N ATOM 407 CA CYS A 33 15.794 -4.678 -5.974 1.00 0.00 C ATOM 408 C CYS A 33 16.861 -3.665 -5.578 1.00 0.00 C ATOM 409 O CYS A 33 17.536 -3.096 -6.430 1.00 0.00 O ATOM 410 CB CYS A 33 16.439 -6.023 -6.306 1.00 0.00 C ATOM 411 SG CYS A 33 16.992 -6.966 -4.863 1.00 0.00 S ATOM 0 H CYS A 33 15.434 -4.440 -8.014 1.00 0.00 H new ATOM 0 HA CYS A 33 15.115 -4.811 -5.132 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.724 -6.626 -6.866 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.293 -5.850 -6.961 1.00 0.00 H new ATOM 416 N ALA A 34 17.002 -3.439 -4.287 1.00 0.00 N ATOM 417 CA ALA A 34 17.990 -2.502 -3.780 1.00 0.00 C ATOM 418 C ALA A 34 19.258 -3.232 -3.368 1.00 0.00 C ATOM 419 O ALA A 34 20.252 -2.613 -2.974 1.00 0.00 O ATOM 420 CB ALA A 34 17.424 -1.719 -2.608 1.00 0.00 C ATOM 0 H ALA A 34 16.443 -3.893 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 34 18.241 -1.802 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.176 -1.021 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.543 -1.165 -2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.146 -2.408 -1.810 1.00 0.00 H new ATOM 426 N ALA A 35 19.220 -4.552 -3.464 1.00 0.00 N ATOM 427 CA ALA A 35 20.354 -5.381 -3.102 1.00 0.00 C ATOM 428 C ALA A 35 21.434 -5.338 -4.172 1.00 0.00 C ATOM 429 O ALA A 35 22.622 -5.448 -3.875 1.00 0.00 O ATOM 430 CB ALA A 35 19.907 -6.813 -2.866 1.00 0.00 C ATOM 0 H ALA A 35 18.407 -5.074 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 35 20.777 -4.984 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.769 -7.423 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.176 -6.838 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.455 -7.208 -3.776 1.00 0.00 H new ATOM 436 N CYS A 36 21.020 -5.172 -5.413 1.00 0.00 N ATOM 437 CA CYS A 36 21.951 -5.164 -6.524 1.00 0.00 C ATOM 438 C CYS A 36 22.013 -3.799 -7.230 1.00 0.00 C ATOM 439 O CYS A 36 22.955 -3.521 -7.979 1.00 0.00 O ATOM 440 CB CYS A 36 21.567 -6.266 -7.502 1.00 0.00 C ATOM 441 SG CYS A 36 19.821 -6.253 -7.962 1.00 0.00 S ATOM 0 H CYS A 36 20.044 -5.041 -5.677 1.00 0.00 H new ATOM 0 HA CYS A 36 22.951 -5.349 -6.132 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.172 -6.166 -8.403 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.810 -7.232 -7.060 1.00 0.00 H new ATOM 446 N LYS A 37 21.027 -2.943 -6.983 1.00 0.00 N ATOM 447 CA LYS A 37 20.997 -1.631 -7.617 1.00 0.00 C ATOM 448 C LYS A 37 21.838 -0.631 -6.830 1.00 0.00 C ATOM 449 O LYS A 37 21.463 -0.225 -5.729 1.00 0.00 O ATOM 450 CB LYS A 37 19.560 -1.119 -7.750 1.00 0.00 C ATOM 451 CG LYS A 37 19.452 0.189 -8.517 1.00 0.00 C ATOM 452 CD LYS A 37 18.024 0.704 -8.552 1.00 0.00 C ATOM 453 CE LYS A 37 17.933 1.987 -9.359 1.00 0.00 C ATOM 454 NZ LYS A 37 16.593 2.615 -9.270 1.00 0.00 N ATOM 0 H LYS A 37 20.246 -3.132 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 37 21.421 -1.735 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.958 -1.876 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.137 -0.984 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.097 0.936 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.812 0.044 -9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.371 -0.052 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.672 0.882 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.686 2.691 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.163 1.774 -10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.652 3.605 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.927 2.099 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.259 2.582 -8.286 1.00 0.00 H new ATOM 468 N THR A 38 22.966 -0.238 -7.399 1.00 0.00 N ATOM 469 CA THR A 38 23.862 0.696 -6.747 1.00 0.00 C ATOM 470 C THR A 38 24.073 1.950 -7.614 1.00 0.00 C ATOM 471 O THR A 38 23.565 2.033 -8.737 1.00 0.00 O ATOM 472 CB THR A 38 25.228 0.027 -6.428 1.00 0.00 C ATOM 473 OG1 THR A 38 26.043 0.911 -5.650 1.00 0.00 O ATOM 474 CG2 THR A 38 25.966 -0.351 -7.709 1.00 0.00 C ATOM 0 H THR A 38 23.282 -0.555 -8.316 1.00 0.00 H new ATOM 0 HA THR A 38 23.399 0.999 -5.808 1.00 0.00 H new ATOM 0 HB THR A 38 25.031 -0.881 -5.859 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.900 0.478 -5.454 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.918 -0.817 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.361 -1.051 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.147 0.545 -8.303 1.00 0.00 H new ATOM 482 N CYS A 39 24.816 2.917 -7.086 1.00 0.00 N ATOM 483 CA CYS A 39 25.083 4.170 -7.782 1.00 0.00 C ATOM 484 C CYS A 39 26.272 4.886 -7.148 1.00 0.00 C ATOM 485 O CYS A 39 26.506 4.762 -5.945 1.00 0.00 O ATOM 486 CB CYS A 39 23.842 5.060 -7.729 1.00 0.00 C ATOM 487 SG CYS A 39 24.032 6.685 -8.472 1.00 0.00 S ATOM 0 H CYS A 39 25.249 2.854 -6.165 1.00 0.00 H new ATOM 0 HA CYS A 39 25.325 3.954 -8.823 1.00 0.00 H new ATOM 0 HB2 CYS A 39 23.023 4.543 -8.229 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.550 5.187 -6.687 1.00 0.00 H new ATOM 492 N ASN A 40 27.030 5.619 -7.957 1.00 0.00 N ATOM 493 CA ASN A 40 28.185 6.355 -7.452 1.00 0.00 C ATOM 494 C ASN A 40 27.934 7.848 -7.406 1.00 0.00 C ATOM 495 O ASN A 40 28.692 8.586 -6.774 1.00 0.00 O ATOM 496 CB ASN A 40 29.437 6.059 -8.275 1.00 0.00 C ATOM 497 CG ASN A 40 30.098 4.758 -7.871 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.973 4.737 -7.006 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.683 3.670 -8.482 1.00 0.00 N ATOM 0 H ASN A 40 26.867 5.719 -8.959 1.00 0.00 H new ATOM 0 HA ASN A 40 28.349 6.011 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 40 29.172 6.016 -9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.148 6.877 -8.157 1.00 0.00 H new ATOM 0 HD21 ASN A 40 30.089 2.765 -8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.955 3.731 -9.194 1.00 0.00 H new ATOM 506 N CYS A 41 26.890 8.304 -8.082 1.00 0.00 N ATOM 507 CA CYS A 41 26.543 9.709 -8.055 1.00 0.00 C ATOM 508 C CYS A 41 25.836 10.031 -6.744 1.00 0.00 C ATOM 509 O CYS A 41 25.097 9.205 -6.212 1.00 0.00 O ATOM 510 CB CYS A 41 25.679 10.084 -9.265 1.00 0.00 C ATOM 511 SG CYS A 41 26.491 9.782 -10.878 1.00 0.00 S ATOM 0 H CYS A 41 26.275 7.723 -8.651 1.00 0.00 H new ATOM 0 HA CYS A 41 27.454 10.304 -8.116 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.749 9.516 -9.225 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.412 11.138 -9.196 1.00 0.00 H new ATOM 516 N THR A 42 26.078 11.214 -6.213 1.00 0.00 N ATOM 517 CA THR A 42 25.532 11.583 -4.923 1.00 0.00 C ATOM 518 C THR A 42 24.792 12.919 -4.991 1.00 0.00 C ATOM 519 O THR A 42 24.733 13.549 -6.048 1.00 0.00 O ATOM 520 CB THR A 42 26.643 11.651 -3.852 1.00 0.00 C ATOM 521 OG1 THR A 42 27.682 12.555 -4.271 1.00 0.00 O ATOM 522 CG2 THR A 42 27.240 10.273 -3.596 1.00 0.00 C ATOM 0 H THR A 42 26.649 11.935 -6.655 1.00 0.00 H new ATOM 0 HA THR A 42 24.818 10.809 -4.641 1.00 0.00 H new ATOM 0 HB THR A 42 26.196 12.014 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 42 28.380 12.592 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.020 10.349 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 42 26.459 9.597 -3.247 1.00 0.00 H new ATOM 0 HG23 THR A 42 27.669 9.885 -4.520 1.00 0.00 H new ATOM 530 N SER A 43 24.252 13.354 -3.847 1.00 0.00 N ATOM 531 CA SER A 43 23.467 14.592 -3.758 1.00 0.00 C ATOM 532 C SER A 43 24.294 15.835 -4.106 1.00 0.00 C ATOM 533 O SER A 43 23.740 16.912 -4.355 1.00 0.00 O ATOM 534 CB SER A 43 22.871 14.730 -2.361 1.00 0.00 C ATOM 535 OG SER A 43 22.075 13.598 -2.038 1.00 0.00 O ATOM 0 H SER A 43 24.346 12.860 -2.959 1.00 0.00 H new ATOM 0 HA SER A 43 22.666 14.524 -4.494 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.671 14.839 -1.629 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.264 15.634 -2.307 1.00 0.00 H new ATOM 0 HG SER A 43 21.704 13.706 -1.138 1.00 0.00 H new ATOM 541 N ASP A 44 25.610 15.688 -4.106 1.00 0.00 N ATOM 542 CA ASP A 44 26.504 16.776 -4.473 1.00 0.00 C ATOM 543 C ASP A 44 26.326 17.126 -5.942 1.00 0.00 C ATOM 544 O ASP A 44 26.418 18.287 -6.335 1.00 0.00 O ATOM 545 CB ASP A 44 27.957 16.389 -4.199 1.00 0.00 C ATOM 546 CG ASP A 44 28.936 17.462 -4.630 1.00 0.00 C ATOM 547 OD1 ASP A 44 29.160 18.416 -3.856 1.00 0.00 O ATOM 548 OD2 ASP A 44 29.492 17.354 -5.740 1.00 0.00 O ATOM 0 H ASP A 44 26.085 14.821 -3.855 1.00 0.00 H new ATOM 0 HA ASP A 44 26.256 17.648 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 44 28.083 16.194 -3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 44 28.187 15.461 -4.722 1.00 0.00 H new ATOM 553 N GLY A 45 26.051 16.113 -6.740 1.00 0.00 N ATOM 554 CA GLY A 45 25.858 16.311 -8.148 1.00 0.00 C ATOM 555 C GLY A 45 26.015 15.026 -8.919 1.00 0.00 C ATOM 556 O GLY A 45 26.748 14.123 -8.495 1.00 0.00 O ATOM 0 H GLY A 45 25.958 15.146 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.864 16.722 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.576 17.045 -8.514 1.00 0.00 H new ATOM 560 N CYS A 46 25.328 14.934 -10.037 1.00 0.00 N ATOM 561 CA CYS A 46 25.398 13.764 -10.886 1.00 0.00 C ATOM 562 C CYS A 46 26.736 13.752 -11.628 1.00 0.00 C ATOM 563 O CYS A 46 27.207 14.800 -12.082 1.00 0.00 O ATOM 564 CB CYS A 46 24.231 13.779 -11.876 1.00 0.00 C ATOM 565 SG CYS A 46 24.258 12.449 -13.090 1.00 0.00 S ATOM 0 H CYS A 46 24.707 15.666 -10.383 1.00 0.00 H new ATOM 0 HA CYS A 46 25.327 12.862 -10.279 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.297 13.723 -11.317 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.231 14.733 -12.402 1.00 0.00 H new ATOM 570 N LYS A 47 27.348 12.587 -11.742 1.00 0.00 N ATOM 571 CA LYS A 47 28.656 12.482 -12.381 1.00 0.00 C ATOM 572 C LYS A 47 28.587 11.799 -13.740 1.00 0.00 C ATOM 573 O LYS A 47 29.537 11.872 -14.522 1.00 0.00 O ATOM 574 CB LYS A 47 29.637 11.741 -11.472 1.00 0.00 C ATOM 575 CG LYS A 47 30.013 12.511 -10.217 1.00 0.00 C ATOM 576 CD LYS A 47 30.934 11.702 -9.314 1.00 0.00 C ATOM 577 CE LYS A 47 30.211 10.518 -8.699 1.00 0.00 C ATOM 578 NZ LYS A 47 31.067 9.776 -7.743 1.00 0.00 N ATOM 0 H LYS A 47 26.967 11.703 -11.404 1.00 0.00 H new ATOM 0 HA LYS A 47 29.010 13.500 -12.546 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.199 10.786 -11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.543 11.519 -12.036 1.00 0.00 H new ATOM 0 HG2 LYS A 47 30.504 13.443 -10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 47 29.109 12.778 -9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.790 11.348 -9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 47 31.324 12.342 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.315 10.868 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 47 29.883 9.844 -9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 30.472 9.171 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 31.742 9.185 -8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 31.588 10.451 -7.147 1.00 0.00 H new ATOM 592 N CYS A 48 27.489 11.135 -14.026 1.00 0.00 N ATOM 593 CA CYS A 48 27.363 10.447 -15.296 1.00 0.00 C ATOM 594 C CYS A 48 26.490 11.249 -16.267 1.00 0.00 C ATOM 595 O CYS A 48 26.722 11.240 -17.476 1.00 0.00 O ATOM 596 CB CYS A 48 26.802 9.044 -15.088 1.00 0.00 C ATOM 597 SG CYS A 48 25.048 9.004 -14.703 1.00 0.00 S ATOM 0 H CYS A 48 26.681 11.056 -13.409 1.00 0.00 H new ATOM 0 HA CYS A 48 28.355 10.356 -15.738 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.979 8.457 -15.989 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.351 8.561 -14.280 1.00 0.00 H new ATOM 602 N GLY A 49 25.501 11.953 -15.734 1.00 0.00 N ATOM 603 CA GLY A 49 24.633 12.765 -16.569 1.00 0.00 C ATOM 604 C GLY A 49 23.201 12.251 -16.638 1.00 0.00 C ATOM 605 O GLY A 49 22.408 12.730 -17.445 1.00 0.00 O ATOM 0 H GLY A 49 25.283 11.978 -14.738 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.626 13.786 -16.187 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.045 12.805 -17.577 1.00 0.00 H new ATOM 609 N LYS A 50 22.862 11.287 -15.789 1.00 0.00 N ATOM 610 CA LYS A 50 21.513 10.711 -15.791 1.00 0.00 C ATOM 611 C LYS A 50 20.588 11.453 -14.838 1.00 0.00 C ATOM 612 O LYS A 50 19.420 11.077 -14.687 1.00 0.00 O ATOM 613 CB LYS A 50 21.556 9.238 -15.400 1.00 0.00 C ATOM 614 CG LYS A 50 22.441 8.386 -16.282 1.00 0.00 C ATOM 615 CD LYS A 50 21.876 8.207 -17.671 1.00 0.00 C ATOM 616 CE LYS A 50 22.815 7.374 -18.521 1.00 0.00 C ATOM 617 NZ LYS A 50 23.205 6.116 -17.835 1.00 0.00 N ATOM 0 H LYS A 50 23.493 10.888 -15.094 1.00 0.00 H new ATOM 0 HA LYS A 50 21.124 10.809 -16.804 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.904 9.157 -14.370 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.543 8.837 -15.427 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.428 8.844 -16.351 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.575 7.408 -15.819 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.901 7.723 -17.614 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.722 9.181 -18.136 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.334 7.137 -19.470 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.708 7.954 -18.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.274 5.347 -18.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.126 6.245 -17.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.488 5.873 -17.121 1.00 0.00 H new ATOM 631 N GLU A 51 21.118 12.501 -14.194 1.00 0.00 N ATOM 632 CA GLU A 51 20.355 13.311 -13.229 1.00 0.00 C ATOM 633 C GLU A 51 20.077 12.527 -11.950 1.00 0.00 C ATOM 634 O GLU A 51 19.163 12.851 -11.192 1.00 0.00 O ATOM 635 CB GLU A 51 19.042 13.820 -13.843 1.00 0.00 C ATOM 636 CG GLU A 51 19.231 14.860 -14.927 1.00 0.00 C ATOM 637 CD GLU A 51 19.827 16.139 -14.393 1.00 0.00 C ATOM 638 OE1 GLU A 51 21.028 16.385 -14.625 1.00 0.00 O ATOM 639 OE2 GLU A 51 19.098 16.907 -13.739 1.00 0.00 O ATOM 0 H GLU A 51 22.081 12.812 -14.324 1.00 0.00 H new ATOM 0 HA GLU A 51 20.968 14.176 -12.973 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.495 12.973 -14.258 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.423 14.243 -13.052 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.879 14.457 -15.706 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.269 15.076 -15.392 1.00 0.00 H new ATOM 646 N CYS A 52 20.874 11.509 -11.713 1.00 0.00 N ATOM 647 CA CYS A 52 20.733 10.692 -10.534 1.00 0.00 C ATOM 648 C CYS A 52 21.697 11.155 -9.460 1.00 0.00 C ATOM 649 O CYS A 52 22.791 11.641 -9.760 1.00 0.00 O ATOM 650 CB CYS A 52 20.996 9.238 -10.879 1.00 0.00 C ATOM 651 SG CYS A 52 22.573 8.971 -11.699 1.00 0.00 S ATOM 0 H CYS A 52 21.635 11.227 -12.331 1.00 0.00 H new ATOM 0 HA CYS A 52 19.715 10.788 -10.156 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.965 8.645 -9.965 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.195 8.875 -11.522 1.00 0.00 H new ATOM 656 N THR A 53 21.290 11.035 -8.219 1.00 0.00 N ATOM 657 CA THR A 53 22.132 11.430 -7.116 1.00 0.00 C ATOM 658 C THR A 53 22.114 10.373 -6.011 1.00 0.00 C ATOM 659 O THR A 53 22.185 10.698 -4.818 1.00 0.00 O ATOM 660 CB THR A 53 21.681 12.780 -6.538 1.00 0.00 C ATOM 661 OG1 THR A 53 20.282 12.736 -6.220 1.00 0.00 O ATOM 662 CG2 THR A 53 21.942 13.914 -7.518 1.00 0.00 C ATOM 0 H THR A 53 20.379 10.666 -7.948 1.00 0.00 H new ATOM 0 HA THR A 53 23.148 11.529 -7.498 1.00 0.00 H new ATOM 0 HB THR A 53 22.259 12.966 -5.632 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.003 13.600 -5.851 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.612 14.856 -7.080 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.009 13.969 -7.736 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.392 13.731 -8.441 1.00 0.00 H new ATOM 670 N GLY A 54 22.040 9.117 -6.409 1.00 0.00 N ATOM 671 CA GLY A 54 21.997 8.040 -5.444 1.00 0.00 C ATOM 672 C GLY A 54 21.411 6.764 -6.025 1.00 0.00 C ATOM 673 O GLY A 54 20.679 6.818 -7.004 1.00 0.00 O ATOM 0 H GLY A 54 22.009 8.821 -7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.005 7.841 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.404 8.350 -4.584 1.00 0.00 H new ATOM 677 N PRO A 55 21.730 5.593 -5.427 1.00 0.00 N ATOM 678 CA PRO A 55 21.290 4.266 -5.914 1.00 0.00 C ATOM 679 C PRO A 55 19.790 4.128 -6.149 1.00 0.00 C ATOM 680 O PRO A 55 19.367 3.699 -7.223 1.00 0.00 O ATOM 681 CB PRO A 55 21.756 3.296 -4.814 1.00 0.00 C ATOM 682 CG PRO A 55 22.104 4.168 -3.653 1.00 0.00 C ATOM 683 CD PRO A 55 22.570 5.462 -4.238 1.00 0.00 C ATOM 0 HA PRO A 55 21.715 4.072 -6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.970 2.587 -4.554 1.00 0.00 H new ATOM 0 HB3 PRO A 55 22.616 2.712 -5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.240 4.320 -3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.883 3.712 -3.042 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.429 6.294 -3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.630 5.435 -4.491 1.00 0.00 H new ATOM 691 N ASP A 56 18.990 4.486 -5.170 1.00 0.00 N ATOM 692 CA ASP A 56 17.547 4.320 -5.294 1.00 0.00 C ATOM 693 C ASP A 56 16.969 5.315 -6.288 1.00 0.00 C ATOM 694 O ASP A 56 16.052 4.993 -7.043 1.00 0.00 O ATOM 695 CB ASP A 56 16.859 4.460 -3.938 1.00 0.00 C ATOM 696 CG ASP A 56 15.368 4.199 -4.019 1.00 0.00 C ATOM 697 OD1 ASP A 56 14.958 3.014 -3.935 1.00 0.00 O ATOM 698 OD2 ASP A 56 14.595 5.171 -4.167 1.00 0.00 O ATOM 0 H ASP A 56 19.302 4.890 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 56 17.361 3.313 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.310 3.763 -3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.029 5.464 -3.549 1.00 0.00 H new ATOM 703 N SER A 57 17.543 6.501 -6.315 1.00 0.00 N ATOM 704 CA SER A 57 17.082 7.563 -7.199 1.00 0.00 C ATOM 705 C SER A 57 17.713 7.426 -8.586 1.00 0.00 C ATOM 706 O SER A 57 17.438 8.215 -9.494 1.00 0.00 O ATOM 707 CB SER A 57 17.432 8.916 -6.589 1.00 0.00 C ATOM 708 OG SER A 57 16.978 8.991 -5.244 1.00 0.00 O ATOM 0 H SER A 57 18.338 6.759 -5.730 1.00 0.00 H new ATOM 0 HA SER A 57 16.001 7.486 -7.312 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.511 9.068 -6.623 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.978 9.714 -7.177 1.00 0.00 H new ATOM 0 HG SER A 57 17.213 9.865 -4.868 1.00 0.00 H new ATOM 714 N CYS A 58 18.549 6.422 -8.737 1.00 0.00 N ATOM 715 CA CYS A 58 19.239 6.170 -9.979 1.00 0.00 C ATOM 716 C CYS A 58 18.291 5.571 -11.018 1.00 0.00 C ATOM 717 O CYS A 58 17.371 4.818 -10.680 1.00 0.00 O ATOM 718 CB CYS A 58 20.418 5.236 -9.723 1.00 0.00 C ATOM 719 SG CYS A 58 21.430 4.899 -11.163 1.00 0.00 S ATOM 0 H CYS A 58 18.769 5.755 -7.997 1.00 0.00 H new ATOM 0 HA CYS A 58 19.610 7.115 -10.376 1.00 0.00 H new ATOM 0 HB2 CYS A 58 21.047 5.671 -8.947 1.00 0.00 H new ATOM 0 HB3 CYS A 58 20.038 4.292 -9.333 1.00 0.00 H new ATOM 724 N LYS A 59 18.512 5.913 -12.276 1.00 0.00 N ATOM 725 CA LYS A 59 17.671 5.427 -13.366 1.00 0.00 C ATOM 726 C LYS A 59 18.427 4.419 -14.218 1.00 0.00 C ATOM 727 O LYS A 59 17.864 3.817 -15.134 1.00 0.00 O ATOM 728 CB LYS A 59 17.222 6.596 -14.247 1.00 0.00 C ATOM 729 CG LYS A 59 16.493 7.700 -13.499 1.00 0.00 C ATOM 730 CD LYS A 59 15.180 7.211 -12.913 1.00 0.00 C ATOM 731 CE LYS A 59 14.432 8.339 -12.223 1.00 0.00 C ATOM 732 NZ LYS A 59 14.157 9.468 -13.150 1.00 0.00 N ATOM 0 H LYS A 59 19.270 6.528 -12.573 1.00 0.00 H new ATOM 0 HA LYS A 59 16.798 4.941 -12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.097 7.022 -14.738 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.570 6.214 -15.033 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.129 8.079 -12.699 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.301 8.533 -14.176 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.560 6.791 -13.705 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.373 6.410 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.492 7.960 -11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.017 8.698 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.416 10.076 -12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.025 10.025 -13.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.838 9.095 -14.067 1.00 0.00 H new ATOM 746 N CYS A 60 19.692 4.237 -13.908 1.00 0.00 N ATOM 747 CA CYS A 60 20.552 3.357 -14.671 1.00 0.00 C ATOM 748 C CYS A 60 20.364 1.898 -14.261 1.00 0.00 C ATOM 749 O CYS A 60 20.017 1.601 -13.112 1.00 0.00 O ATOM 750 CB CYS A 60 22.000 3.774 -14.475 1.00 0.00 C ATOM 751 SG CYS A 60 22.260 5.558 -14.602 1.00 0.00 S ATOM 0 H CYS A 60 20.154 4.694 -13.121 1.00 0.00 H new ATOM 0 HA CYS A 60 20.283 3.440 -15.724 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.338 3.434 -13.496 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.618 3.271 -15.218 1.00 0.00 H new ATOM 756 N GLY A 61 20.601 0.997 -15.201 1.00 0.00 N ATOM 757 CA GLY A 61 20.460 -0.414 -14.937 1.00 0.00 C ATOM 758 C GLY A 61 21.795 -1.127 -14.895 1.00 0.00 C ATOM 759 O GLY A 61 22.068 -1.985 -15.731 1.00 0.00 O ATOM 0 H GLY A 61 20.892 1.224 -16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 61 19.946 -0.554 -13.986 1.00 0.00 H new ATOM 0 HA3 GLY A 61 19.834 -0.865 -15.707 1.00 0.00 H new ATOM 763 N SER A 62 22.641 -0.730 -13.938 1.00 0.00 N ATOM 764 CA SER A 62 23.963 -1.351 -13.701 1.00 0.00 C ATOM 765 C SER A 62 24.998 -1.069 -14.812 1.00 0.00 C ATOM 766 O SER A 62 26.176 -0.868 -14.526 1.00 0.00 O ATOM 767 CB SER A 62 23.819 -2.861 -13.466 1.00 0.00 C ATOM 768 OG SER A 62 22.986 -3.118 -12.345 1.00 0.00 O ATOM 0 H SER A 62 22.433 0.036 -13.298 1.00 0.00 H new ATOM 0 HA SER A 62 24.356 -0.878 -12.801 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.398 -3.334 -14.354 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.802 -3.304 -13.304 1.00 0.00 H new ATOM 0 HG SER A 62 22.905 -4.086 -12.213 1.00 0.00 H new ATOM 774 N SER A 63 24.570 -1.049 -16.053 1.00 0.00 N ATOM 775 CA SER A 63 25.481 -0.845 -17.164 1.00 0.00 C ATOM 776 C SER A 63 25.759 0.645 -17.437 1.00 0.00 C ATOM 777 O SER A 63 25.333 1.191 -18.457 1.00 0.00 O ATOM 778 CB SER A 63 24.938 -1.539 -18.410 1.00 0.00 C ATOM 779 OG SER A 63 23.561 -1.242 -18.588 1.00 0.00 O ATOM 0 H SER A 63 23.594 -1.172 -16.323 1.00 0.00 H new ATOM 0 HA SER A 63 26.439 -1.289 -16.892 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.501 -1.218 -19.286 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.074 -2.617 -18.321 1.00 0.00 H new ATOM 0 HG SER A 63 23.230 -1.694 -19.392 1.00 0.00 H new ATOM 785 N CYS A 64 26.448 1.298 -16.503 1.00 0.00 N ATOM 786 CA CYS A 64 26.835 2.685 -16.659 1.00 0.00 C ATOM 787 C CYS A 64 28.182 2.946 -15.999 1.00 0.00 C ATOM 788 O CYS A 64 28.696 2.106 -15.257 1.00 0.00 O ATOM 789 CB CYS A 64 25.794 3.594 -16.047 1.00 0.00 C ATOM 790 SG CYS A 64 26.056 5.358 -16.402 1.00 0.00 S ATOM 0 H CYS A 64 26.749 0.877 -15.624 1.00 0.00 H new ATOM 0 HA CYS A 64 26.915 2.893 -17.726 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.810 3.302 -16.414 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.788 3.448 -14.967 1.00 0.00 H new ATOM 795 N SER A 65 28.734 4.122 -16.252 1.00 0.00 N ATOM 796 CA SER A 65 30.012 4.512 -15.700 1.00 0.00 C ATOM 797 C SER A 65 29.892 4.876 -14.212 1.00 0.00 C ATOM 798 O SER A 65 30.877 4.828 -13.478 1.00 0.00 O ATOM 799 CB SER A 65 30.595 5.687 -16.498 1.00 0.00 C ATOM 800 OG SER A 65 31.912 5.995 -16.071 1.00 0.00 O ATOM 0 H SER A 65 28.304 4.830 -16.847 1.00 0.00 H new ATOM 0 HA SER A 65 30.689 3.661 -15.778 1.00 0.00 H new ATOM 0 HB2 SER A 65 30.603 5.440 -17.560 1.00 0.00 H new ATOM 0 HB3 SER A 65 29.957 6.563 -16.379 1.00 0.00 H new ATOM 0 HG SER A 65 32.259 6.746 -16.597 1.00 0.00 H new ATOM 806 N CYS A 66 28.683 5.218 -13.760 1.00 0.00 N ATOM 807 CA CYS A 66 28.472 5.575 -12.354 1.00 0.00 C ATOM 808 C CYS A 66 28.313 4.310 -11.493 1.00 0.00 C ATOM 809 O CYS A 66 27.756 4.350 -10.397 1.00 0.00 O ATOM 810 CB CYS A 66 27.253 6.512 -12.203 1.00 0.00 C ATOM 811 SG CYS A 66 25.638 5.705 -12.243 1.00 0.00 S ATOM 0 H CYS A 66 27.844 5.255 -14.339 1.00 0.00 H new ATOM 0 HA CYS A 66 29.351 6.114 -12.000 1.00 0.00 H new ATOM 0 HB2 CYS A 66 27.346 7.051 -11.260 1.00 0.00 H new ATOM 0 HB3 CYS A 66 27.288 7.255 -13.000 1.00 0.00 H new ATOM 816 N LYS A 67 28.832 3.188 -11.995 1.00 0.00 N ATOM 817 CA LYS A 67 28.774 1.914 -11.282 1.00 0.00 C ATOM 818 C LYS A 67 30.183 1.369 -11.066 1.00 0.00 C ATOM 819 O LYS A 67 30.762 0.836 -12.064 1.00 0.00 O ATOM 820 CB LYS A 67 27.942 0.888 -12.064 1.00 0.00 C ATOM 821 CG LYS A 67 26.621 1.425 -12.584 1.00 0.00 C ATOM 822 CD LYS A 67 25.767 1.982 -11.471 1.00 0.00 C ATOM 823 CE LYS A 67 24.529 2.645 -12.022 1.00 0.00 C ATOM 824 NZ LYS A 67 23.854 3.460 -10.999 1.00 0.00 N ATOM 0 H LYS A 67 29.300 3.138 -12.900 1.00 0.00 H new ATOM 0 HA LYS A 67 28.299 2.087 -10.316 1.00 0.00 H new ATOM 0 HB2 LYS A 67 28.531 0.526 -12.907 1.00 0.00 H new ATOM 0 HB3 LYS A 67 27.745 0.031 -11.421 1.00 0.00 H new ATOM 0 HG2 LYS A 67 26.810 2.204 -13.322 1.00 0.00 H new ATOM 0 HG3 LYS A 67 26.080 0.628 -13.094 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.482 1.180 -10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 67 26.343 2.703 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.799 3.274 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.843 1.885 -12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.853 3.578 -11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.922 2.985 -10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.309 4.393 -10.943 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 16.857 -7.627 -10.466 1.00 0.00 CD HETATM 840 CD CD A 102 18.560 -8.092 -6.695 1.00 0.00 CD HETATM 841 CD CD A 103 20.828 -7.815 -9.899 1.00 0.00 CD HETATM 842 CD CD A 104 23.416 6.583 -10.911 1.00 0.00 CD HETATM 843 CD CD A 105 24.747 6.428 -14.479 1.00 0.00 CD HETATM 844 CD CD A 106 24.582 10.066 -12.623 1.00 0.00 CD