USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 289 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 NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Set 1.1: A 24 THR OG1 : rot -80:sc= -0.656 USER MOD Set 1.2: A 26 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 27 GLN : amide:sc= -2.15 K(o=-2.8,f=-4.1!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0256 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.649 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.186 (180deg=-0.904) USER MOD Single : A 14 LYS NZ :NH3+ -128:sc= -0.058 (180deg=-0.844) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.364 K(o=-0.36,f=-7.7!) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 68:sc= 0.186 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.0231 (180deg=-0.339) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 33:sc= 0.165 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.196 -16.268 2.792 1.00 0.00 N ATOM 2 CA GLY A 1 22.307 -17.351 2.413 1.00 0.00 C ATOM 3 C GLY A 1 20.949 -16.854 1.957 1.00 0.00 C ATOM 4 O GLY A 1 20.473 -15.817 2.418 1.00 0.00 O ATOM 0 H1 GLY A 1 23.958 -16.182 2.089 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.660 -15.377 2.833 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.608 -16.468 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.766 -17.930 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.178 -18.025 3.260 1.00 0.00 H new ATOM 8 N SER A 2 20.325 -17.595 1.047 1.00 0.00 N ATOM 9 CA SER A 2 19.016 -17.221 0.524 1.00 0.00 C ATOM 10 C SER A 2 17.936 -17.395 1.587 1.00 0.00 C ATOM 11 O SER A 2 18.109 -18.147 2.546 1.00 0.00 O ATOM 12 CB SER A 2 18.676 -18.062 -0.708 1.00 0.00 C ATOM 13 OG SER A 2 17.437 -17.666 -1.270 1.00 0.00 O ATOM 0 H SER A 2 20.705 -18.458 0.657 1.00 0.00 H new ATOM 0 HA SER A 2 19.053 -16.170 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.466 -17.959 -1.452 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.634 -19.116 -0.432 1.00 0.00 H new ATOM 0 HG SER A 2 17.244 -18.217 -2.057 1.00 0.00 H new ATOM 19 N SER A 3 16.820 -16.695 1.408 1.00 0.00 N ATOM 20 CA SER A 3 15.712 -16.769 2.353 1.00 0.00 C ATOM 21 C SER A 3 14.373 -16.728 1.624 1.00 0.00 C ATOM 22 O SER A 3 14.218 -16.028 0.625 1.00 0.00 O ATOM 23 CB SER A 3 15.794 -15.618 3.358 1.00 0.00 C ATOM 24 OG SER A 3 15.820 -14.365 2.697 1.00 0.00 O ATOM 0 H SER A 3 16.659 -16.071 0.618 1.00 0.00 H new ATOM 0 HA SER A 3 15.786 -17.716 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.939 -15.659 4.033 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.689 -15.729 3.970 1.00 0.00 H new ATOM 0 HG SER A 3 15.871 -13.646 3.361 1.00 0.00 H new ATOM 30 N GLY A 4 13.406 -17.486 2.133 1.00 0.00 N ATOM 31 CA GLY A 4 12.092 -17.523 1.518 1.00 0.00 C ATOM 32 C GLY A 4 10.975 -17.581 2.541 1.00 0.00 C ATOM 33 O GLY A 4 10.363 -18.630 2.744 1.00 0.00 O ATOM 0 H GLY A 4 13.509 -18.075 2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.962 -16.640 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.025 -18.391 0.862 1.00 0.00 H new ATOM 37 N SER A 5 10.709 -16.452 3.190 1.00 0.00 N ATOM 38 CA SER A 5 9.661 -16.380 4.202 1.00 0.00 C ATOM 39 C SER A 5 8.537 -15.450 3.755 1.00 0.00 C ATOM 40 O SER A 5 8.760 -14.266 3.500 1.00 0.00 O ATOM 41 CB SER A 5 10.241 -15.895 5.532 1.00 0.00 C ATOM 42 OG SER A 5 11.365 -16.670 5.911 1.00 0.00 O ATOM 0 H SER A 5 11.205 -15.574 3.033 1.00 0.00 H new ATOM 0 HA SER A 5 9.249 -17.380 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.530 -14.848 5.446 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.477 -15.952 6.308 1.00 0.00 H new ATOM 0 HG SER A 5 11.718 -16.339 6.763 1.00 0.00 H new ATOM 48 N SER A 6 7.328 -15.995 3.662 1.00 0.00 N ATOM 49 CA SER A 6 6.169 -15.217 3.242 1.00 0.00 C ATOM 50 C SER A 6 5.034 -15.344 4.254 1.00 0.00 C ATOM 51 O SER A 6 4.403 -16.394 4.367 1.00 0.00 O ATOM 52 CB SER A 6 5.692 -15.676 1.863 1.00 0.00 C ATOM 53 OG SER A 6 5.334 -17.047 1.878 1.00 0.00 O ATOM 0 H SER A 6 7.126 -16.973 3.872 1.00 0.00 H new ATOM 0 HA SER A 6 6.467 -14.170 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.836 -15.077 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.480 -15.511 1.128 1.00 0.00 H new ATOM 0 HG SER A 6 4.918 -17.267 2.738 1.00 0.00 H new ATOM 59 N GLY A 7 4.780 -14.265 4.988 1.00 0.00 N ATOM 60 CA GLY A 7 3.722 -14.276 5.981 1.00 0.00 C ATOM 61 C GLY A 7 2.341 -14.279 5.357 1.00 0.00 C ATOM 62 O GLY A 7 1.485 -15.080 5.731 1.00 0.00 O ATOM 0 H GLY A 7 5.288 -13.384 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.833 -15.155 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.824 -13.403 6.626 1.00 0.00 H new ATOM 66 N SER A 8 2.123 -13.379 4.403 1.00 0.00 N ATOM 67 CA SER A 8 0.834 -13.277 3.729 1.00 0.00 C ATOM 68 C SER A 8 0.821 -14.111 2.452 1.00 0.00 C ATOM 69 O SER A 8 1.842 -14.668 2.051 1.00 0.00 O ATOM 70 CB SER A 8 0.520 -11.816 3.401 1.00 0.00 C ATOM 71 OG SER A 8 0.427 -11.037 4.582 1.00 0.00 O ATOM 0 H SER A 8 2.822 -12.710 4.080 1.00 0.00 H new ATOM 0 HA SER A 8 0.069 -13.663 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.298 -11.410 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.418 -11.757 2.848 1.00 0.00 H new ATOM 0 HG SER A 8 0.227 -10.107 4.346 1.00 0.00 H new ATOM 77 N GLY A 9 -0.344 -14.191 1.816 1.00 0.00 N ATOM 78 CA GLY A 9 -0.469 -14.958 0.590 1.00 0.00 C ATOM 79 C GLY A 9 -0.454 -14.082 -0.646 1.00 0.00 C ATOM 80 O GLY A 9 0.583 -13.924 -1.290 1.00 0.00 O ATOM 0 H GLY A 9 -1.203 -13.738 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.347 -15.678 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.397 -15.529 0.615 1.00 0.00 H new ATOM 84 N GLU A 10 -1.607 -13.511 -0.981 1.00 0.00 N ATOM 85 CA GLU A 10 -1.721 -12.649 -2.150 1.00 0.00 C ATOM 86 C GLU A 10 -2.729 -11.529 -1.905 1.00 0.00 C ATOM 87 O GLU A 10 -3.669 -11.684 -1.125 1.00 0.00 O ATOM 88 CB GLU A 10 -2.139 -13.465 -3.375 1.00 0.00 C ATOM 89 CG GLU A 10 -2.009 -12.707 -4.686 1.00 0.00 C ATOM 90 CD GLU A 10 -2.679 -13.422 -5.842 1.00 0.00 C ATOM 91 OE1 GLU A 10 -2.469 -14.645 -5.985 1.00 0.00 O ATOM 92 OE2 GLU A 10 -3.413 -12.760 -6.605 1.00 0.00 O ATOM 0 H GLU A 10 -2.475 -13.630 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.744 -12.202 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.530 -14.367 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.173 -13.786 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.448 -11.716 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.953 -12.564 -4.915 1.00 0.00 H new ATOM 99 N LYS A 11 -2.525 -10.400 -2.574 1.00 0.00 N ATOM 100 CA LYS A 11 -3.413 -9.253 -2.431 1.00 0.00 C ATOM 101 C LYS A 11 -3.820 -8.705 -3.795 1.00 0.00 C ATOM 102 O LYS A 11 -3.170 -8.957 -4.811 1.00 0.00 O ATOM 103 CB LYS A 11 -2.734 -8.155 -1.610 1.00 0.00 C ATOM 104 CG LYS A 11 -2.985 -8.268 -0.117 1.00 0.00 C ATOM 105 CD LYS A 11 -2.217 -7.211 0.660 1.00 0.00 C ATOM 106 CE LYS A 11 -2.551 -7.257 2.143 1.00 0.00 C ATOM 107 NZ LYS A 11 -2.293 -5.950 2.810 1.00 0.00 N ATOM 0 H LYS A 11 -1.751 -10.255 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.311 -9.584 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.660 -8.188 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.086 -7.184 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.052 -8.164 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.691 -9.259 0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.146 -7.363 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.453 -6.223 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.599 -7.530 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.958 -8.034 2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.815 -5.910 3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.275 -5.851 2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.609 -5.176 2.191 1.00 0.00 H new ATOM 121 N PRO A 12 -4.918 -7.936 -3.822 1.00 0.00 N ATOM 122 CA PRO A 12 -5.434 -7.336 -5.056 1.00 0.00 C ATOM 123 C PRO A 12 -4.527 -6.229 -5.585 1.00 0.00 C ATOM 124 O PRO A 12 -4.550 -5.909 -6.773 1.00 0.00 O ATOM 125 CB PRO A 12 -6.788 -6.761 -4.632 1.00 0.00 C ATOM 126 CG PRO A 12 -6.654 -6.517 -3.168 1.00 0.00 C ATOM 127 CD PRO A 12 -5.742 -7.594 -2.650 1.00 0.00 C ATOM 0 HA PRO A 12 -5.499 -8.062 -5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.012 -5.839 -5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.598 -7.458 -4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.239 -5.528 -2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.625 -6.558 -2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.132 -7.239 -1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.303 -8.456 -2.288 1.00 0.00 H new ATOM 135 N PHE A 13 -3.730 -5.648 -4.694 1.00 0.00 N ATOM 136 CA PHE A 13 -2.816 -4.576 -5.072 1.00 0.00 C ATOM 137 C PHE A 13 -1.583 -4.571 -4.173 1.00 0.00 C ATOM 138 O PHE A 13 -1.681 -4.348 -2.966 1.00 0.00 O ATOM 139 CB PHE A 13 -3.524 -3.222 -4.993 1.00 0.00 C ATOM 140 CG PHE A 13 -4.702 -3.106 -5.918 1.00 0.00 C ATOM 141 CD1 PHE A 13 -5.927 -3.653 -5.572 1.00 0.00 C ATOM 142 CD2 PHE A 13 -4.584 -2.450 -7.132 1.00 0.00 C ATOM 143 CE1 PHE A 13 -7.012 -3.549 -6.421 1.00 0.00 C ATOM 144 CE2 PHE A 13 -5.666 -2.342 -7.986 1.00 0.00 C ATOM 145 CZ PHE A 13 -6.882 -2.892 -7.629 1.00 0.00 C ATOM 0 H PHE A 13 -3.699 -5.901 -3.706 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.495 -4.751 -6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.859 -3.055 -3.969 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.809 -2.433 -5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.035 -4.166 -4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.636 -2.018 -7.415 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.961 -3.981 -6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.561 -1.829 -8.930 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.729 -2.808 -8.293 1.00 0.00 H new ATOM 155 N LYS A 14 -0.422 -4.820 -4.770 1.00 0.00 N ATOM 156 CA LYS A 14 0.831 -4.845 -4.026 1.00 0.00 C ATOM 157 C LYS A 14 1.915 -4.060 -4.759 1.00 0.00 C ATOM 158 O LYS A 14 1.798 -3.790 -5.955 1.00 0.00 O ATOM 159 CB LYS A 14 1.291 -6.288 -3.808 1.00 0.00 C ATOM 160 CG LYS A 14 1.313 -7.118 -5.080 1.00 0.00 C ATOM 161 CD LYS A 14 2.109 -8.399 -4.896 1.00 0.00 C ATOM 162 CE LYS A 14 1.226 -9.541 -4.418 1.00 0.00 C ATOM 163 NZ LYS A 14 0.270 -9.982 -5.471 1.00 0.00 N ATOM 0 H LYS A 14 -0.323 -5.007 -5.768 1.00 0.00 H new ATOM 0 HA LYS A 14 0.658 -4.375 -3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.290 -6.280 -3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.631 -6.765 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.292 -7.362 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.747 -6.532 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.581 -8.673 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.909 -8.231 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.851 -10.383 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.672 -9.226 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.695 -9.991 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.312 -9.325 -6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.523 -10.938 -5.791 1.00 0.00 H new ATOM 177 N CYS A 15 2.969 -3.698 -4.036 1.00 0.00 N ATOM 178 CA CYS A 15 4.074 -2.945 -4.617 1.00 0.00 C ATOM 179 C CYS A 15 4.841 -3.797 -5.625 1.00 0.00 C ATOM 180 O CYS A 15 4.888 -5.021 -5.509 1.00 0.00 O ATOM 181 CB CYS A 15 5.021 -2.458 -3.519 1.00 0.00 C ATOM 182 SG CYS A 15 6.333 -1.342 -4.109 1.00 0.00 S ATOM 0 H CYS A 15 3.081 -3.914 -3.046 1.00 0.00 H new ATOM 0 HA CYS A 15 3.659 -2.082 -5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.439 -1.944 -2.754 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.482 -3.323 -3.042 1.00 0.00 H new ATOM 187 N GLU A 16 5.441 -3.139 -6.612 1.00 0.00 N ATOM 188 CA GLU A 16 6.206 -3.836 -7.639 1.00 0.00 C ATOM 189 C GLU A 16 7.679 -3.925 -7.254 1.00 0.00 C ATOM 190 O GLU A 16 8.398 -4.813 -7.713 1.00 0.00 O ATOM 191 CB GLU A 16 6.061 -3.122 -8.985 1.00 0.00 C ATOM 192 CG GLU A 16 7.132 -2.074 -9.236 1.00 0.00 C ATOM 193 CD GLU A 16 7.066 -1.496 -10.637 1.00 0.00 C ATOM 194 OE1 GLU A 16 6.751 -2.254 -11.578 1.00 0.00 O ATOM 195 OE2 GLU A 16 7.330 -0.285 -10.792 1.00 0.00 O ATOM 0 H GLU A 16 5.412 -2.125 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 16 5.810 -4.848 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.094 -3.862 -9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.081 -2.646 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.024 -1.269 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.114 -2.518 -9.076 1.00 0.00 H new ATOM 202 N GLU A 17 8.122 -2.999 -6.409 1.00 0.00 N ATOM 203 CA GLU A 17 9.510 -2.973 -5.964 1.00 0.00 C ATOM 204 C GLU A 17 9.790 -4.114 -4.990 1.00 0.00 C ATOM 205 O GLU A 17 10.612 -4.990 -5.263 1.00 0.00 O ATOM 206 CB GLU A 17 9.831 -1.632 -5.300 1.00 0.00 C ATOM 207 CG GLU A 17 10.024 -0.495 -6.289 1.00 0.00 C ATOM 208 CD GLU A 17 8.760 -0.170 -7.060 1.00 0.00 C ATOM 209 OE1 GLU A 17 7.659 -0.355 -6.501 1.00 0.00 O ATOM 210 OE2 GLU A 17 8.871 0.269 -8.224 1.00 0.00 O ATOM 0 H GLU A 17 7.540 -2.258 -6.019 1.00 0.00 H new ATOM 0 HA GLU A 17 10.148 -3.099 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.024 -1.373 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.736 -1.740 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.357 0.394 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.815 -0.760 -6.991 1.00 0.00 H new ATOM 217 N CYS A 18 9.102 -4.097 -3.854 1.00 0.00 N ATOM 218 CA CYS A 18 9.277 -5.128 -2.838 1.00 0.00 C ATOM 219 C CYS A 18 8.133 -6.138 -2.886 1.00 0.00 C ATOM 220 O CYS A 18 8.359 -7.344 -2.974 1.00 0.00 O ATOM 221 CB CYS A 18 9.356 -4.496 -1.447 1.00 0.00 C ATOM 222 SG CYS A 18 8.039 -3.284 -1.106 1.00 0.00 S ATOM 0 H CYS A 18 8.417 -3.380 -3.613 1.00 0.00 H new ATOM 0 HA CYS A 18 10.210 -5.652 -3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.311 -5.286 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.323 -4.006 -1.336 1.00 0.00 H new ATOM 227 N GLY A 19 6.904 -5.634 -2.827 1.00 0.00 N ATOM 228 CA GLY A 19 5.743 -6.505 -2.865 1.00 0.00 C ATOM 229 C GLY A 19 4.804 -6.270 -1.698 1.00 0.00 C ATOM 230 O GLY A 19 3.996 -7.134 -1.358 1.00 0.00 O ATOM 0 H GLY A 19 6.691 -4.639 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.204 -6.346 -3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.072 -7.544 -2.859 1.00 0.00 H new ATOM 234 N LYS A 20 4.911 -5.098 -1.081 1.00 0.00 N ATOM 235 CA LYS A 20 4.065 -4.751 0.055 1.00 0.00 C ATOM 236 C LYS A 20 2.614 -5.141 -0.208 1.00 0.00 C ATOM 237 O LYS A 20 2.230 -5.410 -1.345 1.00 0.00 O ATOM 238 CB LYS A 20 4.157 -3.251 0.346 1.00 0.00 C ATOM 239 CG LYS A 20 4.035 -2.910 1.821 1.00 0.00 C ATOM 240 CD LYS A 20 5.396 -2.849 2.494 1.00 0.00 C ATOM 241 CE LYS A 20 5.966 -4.241 2.723 1.00 0.00 C ATOM 242 NZ LYS A 20 7.257 -4.196 3.464 1.00 0.00 N ATOM 0 H LYS A 20 5.576 -4.372 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 20 4.420 -5.306 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.109 -2.874 -0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.371 -2.734 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.530 -1.951 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.416 -3.657 2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.083 -2.270 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.309 -2.329 3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.247 -4.841 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.115 -4.735 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.613 -5.164 3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.951 -3.645 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.110 -3.748 4.391 1.00 0.00 H new ATOM 256 N GLY A 21 1.812 -5.168 0.852 1.00 0.00 N ATOM 257 CA GLY A 21 0.412 -5.524 0.714 1.00 0.00 C ATOM 258 C GLY A 21 -0.505 -4.321 0.809 1.00 0.00 C ATOM 259 O GLY A 21 -0.341 -3.474 1.688 1.00 0.00 O ATOM 0 H GLY A 21 2.107 -4.950 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.259 -6.018 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.145 -6.242 1.489 1.00 0.00 H new ATOM 263 N PHE A 22 -1.472 -4.242 -0.100 1.00 0.00 N ATOM 264 CA PHE A 22 -2.417 -3.132 -0.117 1.00 0.00 C ATOM 265 C PHE A 22 -3.793 -3.596 -0.582 1.00 0.00 C ATOM 266 O PHE A 22 -3.964 -4.738 -1.010 1.00 0.00 O ATOM 267 CB PHE A 22 -1.907 -2.015 -1.030 1.00 0.00 C ATOM 268 CG PHE A 22 -0.504 -1.578 -0.718 1.00 0.00 C ATOM 269 CD1 PHE A 22 -0.213 -0.938 0.476 1.00 0.00 C ATOM 270 CD2 PHE A 22 0.523 -1.808 -1.619 1.00 0.00 C ATOM 271 CE1 PHE A 22 1.077 -0.535 0.766 1.00 0.00 C ATOM 272 CE2 PHE A 22 1.815 -1.408 -1.334 1.00 0.00 C ATOM 273 CZ PHE A 22 2.092 -0.770 -0.140 1.00 0.00 C ATOM 0 H PHE A 22 -1.621 -4.934 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.507 -2.749 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.952 -2.354 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.573 -1.156 -0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.003 -0.752 1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.312 -2.305 -2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.291 -0.037 1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.607 -1.594 -2.044 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.101 -0.456 0.084 1.00 0.00 H new ATOM 283 N TYR A 23 -4.773 -2.703 -0.494 1.00 0.00 N ATOM 284 CA TYR A 23 -6.136 -3.022 -0.902 1.00 0.00 C ATOM 285 C TYR A 23 -6.616 -2.065 -1.990 1.00 0.00 C ATOM 286 O TYR A 23 -7.451 -2.421 -2.823 1.00 0.00 O ATOM 287 CB TYR A 23 -7.079 -2.959 0.300 1.00 0.00 C ATOM 288 CG TYR A 23 -6.703 -3.908 1.415 1.00 0.00 C ATOM 289 CD1 TYR A 23 -6.386 -5.235 1.147 1.00 0.00 C ATOM 290 CD2 TYR A 23 -6.665 -3.480 2.736 1.00 0.00 C ATOM 291 CE1 TYR A 23 -6.042 -6.106 2.163 1.00 0.00 C ATOM 292 CE2 TYR A 23 -6.320 -4.344 3.758 1.00 0.00 C ATOM 293 CZ TYR A 23 -6.010 -5.656 3.466 1.00 0.00 C ATOM 294 OH TYR A 23 -5.668 -6.519 4.481 1.00 0.00 O ATOM 0 H TYR A 23 -4.649 -1.753 -0.144 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.140 -4.035 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.090 -1.941 0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.092 -3.185 -0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.409 -5.591 0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.909 -2.454 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.799 -7.134 1.938 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.293 -3.994 4.779 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.693 -6.043 5.337 1.00 0.00 H new ATOM 304 N THR A 24 -6.082 -0.848 -1.976 1.00 0.00 N ATOM 305 CA THR A 24 -6.454 0.161 -2.959 1.00 0.00 C ATOM 306 C THR A 24 -5.240 0.631 -3.753 1.00 0.00 C ATOM 307 O THR A 24 -4.112 0.579 -3.266 1.00 0.00 O ATOM 308 CB THR A 24 -7.118 1.379 -2.290 1.00 0.00 C ATOM 309 OG1 THR A 24 -6.198 2.006 -1.390 1.00 0.00 O ATOM 310 CG2 THR A 24 -8.372 0.965 -1.534 1.00 0.00 C ATOM 0 H THR A 24 -5.390 -0.537 -1.294 1.00 0.00 H new ATOM 0 HA THR A 24 -7.168 -0.307 -3.636 1.00 0.00 H new ATOM 0 HB THR A 24 -7.400 2.085 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.175 1.508 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.823 1.842 -1.070 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.083 0.515 -2.227 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.109 0.241 -0.763 1.00 0.00 H new ATOM 318 N ASN A 25 -5.480 1.090 -4.977 1.00 0.00 N ATOM 319 CA ASN A 25 -4.405 1.569 -5.838 1.00 0.00 C ATOM 320 C ASN A 25 -3.705 2.772 -5.215 1.00 0.00 C ATOM 321 O ASN A 25 -2.480 2.794 -5.088 1.00 0.00 O ATOM 322 CB ASN A 25 -4.955 1.942 -7.216 1.00 0.00 C ATOM 323 CG ASN A 25 -6.326 2.586 -7.136 1.00 0.00 C ATOM 324 OD1 ASN A 25 -6.498 3.629 -6.505 1.00 0.00 O ATOM 325 ND2 ASN A 25 -7.309 1.966 -7.778 1.00 0.00 N ATOM 0 H ASN A 25 -6.409 1.140 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.677 0.765 -5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.263 2.626 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.012 1.047 -7.836 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.253 2.352 -7.761 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.120 1.103 -8.289 1.00 0.00 H new ATOM 332 N SER A 26 -4.490 3.772 -4.827 1.00 0.00 N ATOM 333 CA SER A 26 -3.945 4.981 -4.219 1.00 0.00 C ATOM 334 C SER A 26 -2.847 4.638 -3.218 1.00 0.00 C ATOM 335 O SER A 26 -1.739 5.170 -3.289 1.00 0.00 O ATOM 336 CB SER A 26 -5.055 5.773 -3.525 1.00 0.00 C ATOM 337 OG SER A 26 -4.548 6.966 -2.953 1.00 0.00 O ATOM 0 H SER A 26 -5.505 3.769 -4.923 1.00 0.00 H new ATOM 0 HA SER A 26 -3.512 5.593 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.838 6.015 -4.244 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.513 5.160 -2.749 1.00 0.00 H new ATOM 0 HG SER A 26 -5.277 7.455 -2.517 1.00 0.00 H new ATOM 343 N GLN A 27 -3.163 3.745 -2.285 1.00 0.00 N ATOM 344 CA GLN A 27 -2.204 3.332 -1.268 1.00 0.00 C ATOM 345 C GLN A 27 -0.963 2.716 -1.908 1.00 0.00 C ATOM 346 O GLN A 27 0.147 3.224 -1.746 1.00 0.00 O ATOM 347 CB GLN A 27 -2.847 2.330 -0.307 1.00 0.00 C ATOM 348 CG GLN A 27 -3.610 2.984 0.833 1.00 0.00 C ATOM 349 CD GLN A 27 -4.571 4.053 0.354 1.00 0.00 C ATOM 350 OE1 GLN A 27 -4.159 5.069 -0.207 1.00 0.00 O ATOM 351 NE2 GLN A 27 -5.862 3.831 0.574 1.00 0.00 N ATOM 0 H GLN A 27 -4.075 3.294 -2.213 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.901 4.218 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.527 1.687 -0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.070 1.688 0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.164 2.221 1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.901 3.426 1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.160 2.975 1.042 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.556 4.516 0.274 1.00 0.00 H new ATOM 360 N CYS A 28 -1.160 1.621 -2.633 1.00 0.00 N ATOM 361 CA CYS A 28 -0.056 0.936 -3.297 1.00 0.00 C ATOM 362 C CYS A 28 0.921 1.938 -3.902 1.00 0.00 C ATOM 363 O CYS A 28 2.135 1.738 -3.862 1.00 0.00 O ATOM 364 CB CYS A 28 -0.589 0.003 -4.386 1.00 0.00 C ATOM 365 SG CYS A 28 0.697 -0.730 -5.424 1.00 0.00 S ATOM 0 H CYS A 28 -2.073 1.188 -2.776 1.00 0.00 H new ATOM 0 HA CYS A 28 0.475 0.345 -2.550 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.161 -0.797 -3.916 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.280 0.559 -5.020 1.00 0.00 H new ATOM 0 HG CYS A 28 0.148 -1.504 -6.313 1.00 0.00 H new ATOM 371 N TYR A 29 0.383 3.015 -4.464 1.00 0.00 N ATOM 372 CA TYR A 29 1.208 4.047 -5.082 1.00 0.00 C ATOM 373 C TYR A 29 1.923 4.879 -4.023 1.00 0.00 C ATOM 374 O TYR A 29 3.121 5.142 -4.128 1.00 0.00 O ATOM 375 CB TYR A 29 0.350 4.954 -5.966 1.00 0.00 C ATOM 376 CG TYR A 29 1.145 5.726 -6.993 1.00 0.00 C ATOM 377 CD1 TYR A 29 2.148 6.607 -6.607 1.00 0.00 C ATOM 378 CD2 TYR A 29 0.894 5.575 -8.352 1.00 0.00 C ATOM 379 CE1 TYR A 29 2.876 7.315 -7.543 1.00 0.00 C ATOM 380 CE2 TYR A 29 1.619 6.278 -9.295 1.00 0.00 C ATOM 381 CZ TYR A 29 2.608 7.147 -8.885 1.00 0.00 C ATOM 382 OH TYR A 29 3.332 7.850 -9.820 1.00 0.00 O ATOM 0 H TYR A 29 -0.620 3.196 -4.504 1.00 0.00 H new ATOM 0 HA TYR A 29 1.959 3.555 -5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.397 4.347 -6.478 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.191 5.658 -5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.362 6.740 -5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.119 4.896 -8.676 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.651 7.997 -7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.412 6.148 -10.347 1.00 0.00 H new ATOM 0 HH TYR A 29 3.020 7.616 -10.719 1.00 0.00 H new ATOM 392 N SER A 30 1.179 5.291 -3.001 1.00 0.00 N ATOM 393 CA SER A 30 1.740 6.097 -1.923 1.00 0.00 C ATOM 394 C SER A 30 3.050 5.497 -1.421 1.00 0.00 C ATOM 395 O SER A 30 4.053 6.197 -1.280 1.00 0.00 O ATOM 396 CB SER A 30 0.742 6.209 -0.769 1.00 0.00 C ATOM 397 OG SER A 30 -0.379 6.993 -1.138 1.00 0.00 O ATOM 0 H SER A 30 0.187 5.080 -2.897 1.00 0.00 H new ATOM 0 HA SER A 30 1.944 7.093 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.412 5.214 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.232 6.654 0.097 1.00 0.00 H new ATOM 0 HG SER A 30 -0.897 6.521 -1.823 1.00 0.00 H new ATOM 403 N HIS A 31 3.033 4.195 -1.153 1.00 0.00 N ATOM 404 CA HIS A 31 4.219 3.499 -0.668 1.00 0.00 C ATOM 405 C HIS A 31 5.326 3.515 -1.717 1.00 0.00 C ATOM 406 O HIS A 31 6.467 3.872 -1.423 1.00 0.00 O ATOM 407 CB HIS A 31 3.873 2.056 -0.297 1.00 0.00 C ATOM 408 CG HIS A 31 5.038 1.119 -0.386 1.00 0.00 C ATOM 409 ND1 HIS A 31 5.840 0.810 0.693 1.00 0.00 N ATOM 410 CD2 HIS A 31 5.535 0.421 -1.434 1.00 0.00 C ATOM 411 CE1 HIS A 31 6.780 -0.037 0.312 1.00 0.00 C ATOM 412 NE2 HIS A 31 6.617 -0.289 -0.974 1.00 0.00 N ATOM 0 H HIS A 31 2.211 3.601 -1.264 1.00 0.00 H new ATOM 0 HA HIS A 31 4.577 4.019 0.220 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.478 2.035 0.719 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.080 1.700 -0.955 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.725 1.178 1.637 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.152 0.422 -2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.550 -0.452 0.945 1.00 0.00 H new ATOM 420 N GLN A 32 4.982 3.126 -2.940 1.00 0.00 N ATOM 421 CA GLN A 32 5.948 3.095 -4.032 1.00 0.00 C ATOM 422 C GLN A 32 6.890 4.292 -3.959 1.00 0.00 C ATOM 423 O GLN A 32 8.106 4.132 -3.846 1.00 0.00 O ATOM 424 CB GLN A 32 5.226 3.081 -5.380 1.00 0.00 C ATOM 425 CG GLN A 32 5.991 2.353 -6.473 1.00 0.00 C ATOM 426 CD GLN A 32 5.241 2.323 -7.790 1.00 0.00 C ATOM 427 OE1 GLN A 32 4.843 3.363 -8.315 1.00 0.00 O ATOM 428 NE2 GLN A 32 5.043 1.127 -8.332 1.00 0.00 N ATOM 0 H GLN A 32 4.042 2.828 -3.200 1.00 0.00 H new ATOM 0 HA GLN A 32 6.539 2.184 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.251 2.610 -5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.046 4.108 -5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.956 2.838 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.193 1.331 -6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.390 0.291 -7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.544 1.045 -9.218 1.00 0.00 H new ATOM 437 N ARG A 33 6.322 5.492 -4.025 1.00 0.00 N ATOM 438 CA ARG A 33 7.111 6.716 -3.969 1.00 0.00 C ATOM 439 C ARG A 33 8.239 6.589 -2.948 1.00 0.00 C ATOM 440 O ARG A 33 9.390 6.914 -3.236 1.00 0.00 O ATOM 441 CB ARG A 33 6.220 7.907 -3.614 1.00 0.00 C ATOM 442 CG ARG A 33 5.514 8.518 -4.813 1.00 0.00 C ATOM 443 CD ARG A 33 4.900 9.867 -4.471 1.00 0.00 C ATOM 444 NE ARG A 33 5.832 10.967 -4.701 1.00 0.00 N ATOM 445 CZ ARG A 33 5.459 12.237 -4.807 1.00 0.00 C ATOM 446 NH1 ARG A 33 4.178 12.566 -4.703 1.00 0.00 N ATOM 447 NH2 ARG A 33 6.366 13.182 -5.016 1.00 0.00 N ATOM 0 H ARG A 33 5.317 5.642 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 33 7.550 6.881 -4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.473 7.587 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.827 8.673 -3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.223 8.637 -5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.735 7.840 -5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.004 10.020 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.588 9.869 -3.427 1.00 0.00 H new ATOM 0 HE ARG A 33 6.825 10.748 -4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.477 11.843 -4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.894 13.542 -4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.352 12.934 -5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.077 14.157 -5.097 1.00 0.00 H new ATOM 461 N SER A 34 7.898 6.114 -1.754 1.00 0.00 N ATOM 462 CA SER A 34 8.881 5.948 -0.689 1.00 0.00 C ATOM 463 C SER A 34 10.191 5.394 -1.240 1.00 0.00 C ATOM 464 O SER A 34 11.267 5.930 -0.971 1.00 0.00 O ATOM 465 CB SER A 34 8.336 5.016 0.395 1.00 0.00 C ATOM 466 OG SER A 34 9.250 4.897 1.472 1.00 0.00 O ATOM 0 H SER A 34 6.950 5.838 -1.500 1.00 0.00 H new ATOM 0 HA SER A 34 9.076 6.927 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.384 5.398 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.141 4.032 -0.031 1.00 0.00 H new ATOM 0 HG SER A 34 8.878 4.298 2.152 1.00 0.00 H new ATOM 472 N HIS A 35 10.093 4.318 -2.014 1.00 0.00 N ATOM 473 CA HIS A 35 11.270 3.691 -2.605 1.00 0.00 C ATOM 474 C HIS A 35 12.196 4.739 -3.213 1.00 0.00 C ATOM 475 O HIS A 35 11.895 5.317 -4.258 1.00 0.00 O ATOM 476 CB HIS A 35 10.853 2.680 -3.673 1.00 0.00 C ATOM 477 CG HIS A 35 10.490 1.337 -3.118 1.00 0.00 C ATOM 478 ND1 HIS A 35 11.334 0.602 -2.313 1.00 0.00 N ATOM 479 CD2 HIS A 35 9.364 0.597 -3.254 1.00 0.00 C ATOM 480 CE1 HIS A 35 10.745 -0.532 -1.980 1.00 0.00 C ATOM 481 NE2 HIS A 35 9.548 -0.560 -2.538 1.00 0.00 N ATOM 0 H HIS A 35 9.211 3.862 -2.247 1.00 0.00 H new ATOM 0 HA HIS A 35 11.810 3.170 -1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.002 3.078 -4.225 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.668 2.561 -4.387 1.00 0.00 H new ATOM 0 HD1 HIS A 35 12.268 0.889 -2.020 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.485 0.867 -3.820 1.00 0.00 H new ATOM 0 HE1 HIS A 35 11.170 -1.305 -1.357 1.00 0.00 H new ATOM 489 N SER A 36 13.324 4.980 -2.553 1.00 0.00 N ATOM 490 CA SER A 36 14.292 5.962 -3.026 1.00 0.00 C ATOM 491 C SER A 36 14.757 5.629 -4.441 1.00 0.00 C ATOM 492 O SER A 36 14.953 4.464 -4.783 1.00 0.00 O ATOM 493 CB SER A 36 15.495 6.020 -2.083 1.00 0.00 C ATOM 494 OG SER A 36 16.532 6.818 -2.627 1.00 0.00 O ATOM 0 H SER A 36 13.590 4.508 -1.689 1.00 0.00 H new ATOM 0 HA SER A 36 13.804 6.937 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.187 6.426 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.866 5.012 -1.900 1.00 0.00 H new ATOM 0 HG SER A 36 17.288 6.840 -2.004 1.00 0.00 H new ATOM 500 N GLY A 37 14.930 6.663 -5.259 1.00 0.00 N ATOM 501 CA GLY A 37 15.370 6.460 -6.627 1.00 0.00 C ATOM 502 C GLY A 37 16.655 7.201 -6.939 1.00 0.00 C ATOM 503 O GLY A 37 16.806 7.765 -8.022 1.00 0.00 O ATOM 0 H GLY A 37 14.773 7.637 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.517 5.394 -6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.588 6.792 -7.310 1.00 0.00 H new ATOM 507 N GLU A 38 17.583 7.200 -5.987 1.00 0.00 N ATOM 508 CA GLU A 38 18.860 7.880 -6.165 1.00 0.00 C ATOM 509 C GLU A 38 19.866 6.972 -6.867 1.00 0.00 C ATOM 510 O GLU A 38 19.703 5.752 -6.899 1.00 0.00 O ATOM 511 CB GLU A 38 19.418 8.328 -4.813 1.00 0.00 C ATOM 512 CG GLU A 38 18.552 9.358 -4.108 1.00 0.00 C ATOM 513 CD GLU A 38 19.172 9.856 -2.817 1.00 0.00 C ATOM 514 OE1 GLU A 38 19.024 9.169 -1.784 1.00 0.00 O ATOM 515 OE2 GLU A 38 19.804 10.933 -2.839 1.00 0.00 O ATOM 0 H GLU A 38 17.474 6.736 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 38 18.691 8.758 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 38 19.528 7.456 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.415 8.744 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.383 10.203 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.577 8.921 -3.894 1.00 0.00 H new ATOM 522 N LYS A 39 20.907 7.576 -7.430 1.00 0.00 N ATOM 523 CA LYS A 39 21.941 6.825 -8.132 1.00 0.00 C ATOM 524 C LYS A 39 23.306 7.483 -7.957 1.00 0.00 C ATOM 525 O LYS A 39 23.460 8.696 -8.105 1.00 0.00 O ATOM 526 CB LYS A 39 21.602 6.718 -9.621 1.00 0.00 C ATOM 527 CG LYS A 39 22.247 5.527 -10.308 1.00 0.00 C ATOM 528 CD LYS A 39 21.627 4.217 -9.851 1.00 0.00 C ATOM 529 CE LYS A 39 20.424 3.843 -10.703 1.00 0.00 C ATOM 530 NZ LYS A 39 20.819 3.474 -12.091 1.00 0.00 N ATOM 0 H LYS A 39 21.057 8.585 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 39 21.982 5.824 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.520 6.650 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 39 21.919 7.632 -10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 39 22.137 5.625 -11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 39 23.316 5.518 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 39 22.372 3.423 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.323 4.301 -8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.898 3.008 -10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.727 4.680 -10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.075 2.887 -12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.947 4.337 -12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.711 2.940 -12.068 1.00 0.00 H new ATOM 544 N PRO A 40 24.321 6.667 -7.636 1.00 0.00 N ATOM 545 CA PRO A 40 25.691 7.149 -7.436 1.00 0.00 C ATOM 546 C PRO A 40 26.340 7.605 -8.738 1.00 0.00 C ATOM 547 O PRO A 40 26.008 7.112 -9.815 1.00 0.00 O ATOM 548 CB PRO A 40 26.419 5.925 -6.875 1.00 0.00 C ATOM 549 CG PRO A 40 25.641 4.758 -7.379 1.00 0.00 C ATOM 550 CD PRO A 40 24.209 5.212 -7.444 1.00 0.00 C ATOM 0 HA PRO A 40 25.726 8.020 -6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 40 27.453 5.889 -7.217 1.00 0.00 H new ATOM 0 HB3 PRO A 40 26.444 5.944 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 40 25.997 4.447 -8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 40 25.749 3.901 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 40 23.674 4.738 -8.267 1.00 0.00 H new ATOM 0 HD3 PRO A 40 23.668 4.968 -6.530 1.00 0.00 H new ATOM 558 N SER A 41 27.269 8.550 -8.631 1.00 0.00 N ATOM 559 CA SER A 41 27.964 9.075 -9.800 1.00 0.00 C ATOM 560 C SER A 41 29.098 8.146 -10.222 1.00 0.00 C ATOM 561 O SER A 41 29.351 7.957 -11.411 1.00 0.00 O ATOM 562 CB SER A 41 28.516 10.472 -9.507 1.00 0.00 C ATOM 563 OG SER A 41 29.404 10.448 -8.404 1.00 0.00 O ATOM 0 H SER A 41 27.558 8.968 -7.746 1.00 0.00 H new ATOM 0 HA SER A 41 27.247 9.139 -10.619 1.00 0.00 H new ATOM 0 HB2 SER A 41 29.034 10.854 -10.387 1.00 0.00 H new ATOM 0 HB3 SER A 41 27.693 11.156 -9.300 1.00 0.00 H new ATOM 0 HG SER A 41 29.744 11.352 -8.238 1.00 0.00 H new ATOM 569 N GLY A 42 29.778 7.568 -9.236 1.00 0.00 N ATOM 570 CA GLY A 42 30.877 6.665 -9.524 1.00 0.00 C ATOM 571 C GLY A 42 30.465 5.208 -9.452 1.00 0.00 C ATOM 572 O GLY A 42 29.886 4.657 -10.388 1.00 0.00 O ATOM 0 H GLY A 42 29.587 7.709 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 42 31.269 6.880 -10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 42 31.686 6.846 -8.817 1.00 0.00 H new ATOM 576 N PRO A 43 30.767 4.559 -8.317 1.00 0.00 N ATOM 577 CA PRO A 43 30.435 3.148 -8.100 1.00 0.00 C ATOM 578 C PRO A 43 28.935 2.924 -7.943 1.00 0.00 C ATOM 579 O PRO A 43 28.260 3.657 -7.221 1.00 0.00 O ATOM 580 CB PRO A 43 31.165 2.808 -6.798 1.00 0.00 C ATOM 581 CG PRO A 43 31.299 4.111 -6.087 1.00 0.00 C ATOM 582 CD PRO A 43 31.457 5.153 -7.160 1.00 0.00 C ATOM 0 HA PRO A 43 30.729 2.525 -8.945 1.00 0.00 H new ATOM 0 HB2 PRO A 43 30.601 2.089 -6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 43 32.140 2.363 -6.996 1.00 0.00 H new ATOM 0 HG2 PRO A 43 30.421 4.313 -5.473 1.00 0.00 H new ATOM 0 HG3 PRO A 43 32.160 4.105 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 43 31.007 6.102 -6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 43 32.507 5.351 -7.376 1.00 0.00 H new ATOM 590 N SER A 44 28.419 1.905 -8.624 1.00 0.00 N ATOM 591 CA SER A 44 26.998 1.586 -8.564 1.00 0.00 C ATOM 592 C SER A 44 26.736 0.457 -7.571 1.00 0.00 C ATOM 593 O SER A 44 27.308 -0.627 -7.683 1.00 0.00 O ATOM 594 CB SER A 44 26.482 1.193 -9.949 1.00 0.00 C ATOM 595 OG SER A 44 27.275 0.164 -10.515 1.00 0.00 O ATOM 0 H SER A 44 28.965 1.286 -9.224 1.00 0.00 H new ATOM 0 HA SER A 44 26.466 2.475 -8.226 1.00 0.00 H new ATOM 0 HB2 SER A 44 25.447 0.859 -9.874 1.00 0.00 H new ATOM 0 HB3 SER A 44 26.489 2.064 -10.604 1.00 0.00 H new ATOM 0 HG SER A 44 27.606 -0.423 -9.803 1.00 0.00 H new ATOM 601 N SER A 45 25.867 0.721 -6.600 1.00 0.00 N ATOM 602 CA SER A 45 25.532 -0.271 -5.585 1.00 0.00 C ATOM 603 C SER A 45 24.292 -1.062 -5.988 1.00 0.00 C ATOM 604 O SER A 45 23.367 -0.523 -6.594 1.00 0.00 O ATOM 605 CB SER A 45 25.300 0.410 -4.234 1.00 0.00 C ATOM 606 OG SER A 45 24.700 -0.482 -3.311 1.00 0.00 O ATOM 0 H SER A 45 25.383 1.613 -6.495 1.00 0.00 H new ATOM 0 HA SER A 45 26.370 -0.962 -5.496 1.00 0.00 H new ATOM 0 HB2 SER A 45 26.249 0.767 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 45 24.662 1.283 -4.368 1.00 0.00 H new ATOM 0 HG SER A 45 24.564 -0.024 -2.455 1.00 0.00 H new ATOM 612 N GLY A 46 24.280 -2.347 -5.646 1.00 0.00 N ATOM 613 CA GLY A 46 23.150 -3.194 -5.979 1.00 0.00 C ATOM 614 C GLY A 46 23.393 -4.649 -5.634 1.00 0.00 C ATOM 615 O GLY A 46 23.769 -4.941 -4.500 1.00 0.00 O ATOM 0 H GLY A 46 25.034 -2.816 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 46 22.266 -2.841 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.937 -3.107 -7.044 1.00 0.00 H new TER 619 GLY A 46 HETATM 620 ZN ZN A 181 7.834 -1.432 -2.250 1.00 0.00 ZN