USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 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 Set 1.1: A 11 THR OG1 : rot 180:sc= 0.00274 USER MOD Set 1.2: A 12 GLN : amide:sc= -0.237 K(o=-0.23,f=-1.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= 0.0164 USER MOD Single : A 9 SER OG : rot 180:sc= -0.02 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 40:sc= 1.27 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 120:sc= -0.855 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 179:sc= -0.561 USER MOD Single : A 42 SER OG : rot 67:sc= 0.196 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-3.7!) USER MOD Single : A 52 GLN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.152 -7.367 -21.648 1.00 0.00 N ATOM 2 CA GLY A 1 -10.039 -8.231 -21.992 1.00 0.00 C ATOM 3 C GLY A 1 -8.857 -7.462 -22.548 1.00 0.00 C ATOM 4 O GLY A 1 -8.798 -7.181 -23.745 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.934 -7.941 -21.273 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.849 -6.681 -20.927 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.472 -6.859 -22.497 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.725 -8.783 -21.106 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.368 -8.966 -22.726 1.00 0.00 H new ATOM 8 N SER A 2 -7.914 -7.118 -21.676 1.00 0.00 N ATOM 9 CA SER A 2 -6.731 -6.371 -22.086 1.00 0.00 C ATOM 10 C SER A 2 -5.603 -6.541 -21.073 1.00 0.00 C ATOM 11 O SER A 2 -5.843 -6.862 -19.909 1.00 0.00 O ATOM 12 CB SER A 2 -7.068 -4.887 -22.246 1.00 0.00 C ATOM 13 OG SER A 2 -7.195 -4.254 -20.984 1.00 0.00 O ATOM 0 H SER A 2 -7.947 -7.345 -20.682 1.00 0.00 H new ATOM 0 HA SER A 2 -6.397 -6.766 -23.046 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.288 -4.394 -22.827 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.997 -4.780 -22.805 1.00 0.00 H new ATOM 0 HG SER A 2 -7.409 -3.306 -21.113 1.00 0.00 H new ATOM 19 N SER A 3 -4.372 -6.324 -21.525 1.00 0.00 N ATOM 20 CA SER A 3 -3.205 -6.457 -20.660 1.00 0.00 C ATOM 21 C SER A 3 -2.959 -5.170 -19.879 1.00 0.00 C ATOM 22 O SER A 3 -3.696 -4.195 -20.018 1.00 0.00 O ATOM 23 CB SER A 3 -1.968 -6.810 -21.487 1.00 0.00 C ATOM 24 OG SER A 3 -1.394 -8.030 -21.052 1.00 0.00 O ATOM 0 H SER A 3 -4.157 -6.055 -22.485 1.00 0.00 H new ATOM 0 HA SER A 3 -3.399 -7.261 -19.950 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.241 -6.888 -22.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.233 -6.010 -21.407 1.00 0.00 H new ATOM 0 HG SER A 3 -0.606 -8.234 -21.598 1.00 0.00 H new ATOM 30 N GLY A 4 -1.915 -5.176 -19.055 1.00 0.00 N ATOM 31 CA GLY A 4 -1.588 -4.004 -18.263 1.00 0.00 C ATOM 32 C GLY A 4 -0.823 -4.352 -17.002 1.00 0.00 C ATOM 33 O GLY A 4 -1.182 -3.913 -15.909 1.00 0.00 O ATOM 0 H GLY A 4 -1.290 -5.971 -18.922 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.995 -3.316 -18.866 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.507 -3.483 -17.995 1.00 0.00 H new ATOM 37 N SER A 5 0.234 -5.144 -17.152 1.00 0.00 N ATOM 38 CA SER A 5 1.048 -5.555 -16.015 1.00 0.00 C ATOM 39 C SER A 5 2.186 -4.567 -15.776 1.00 0.00 C ATOM 40 O SER A 5 2.317 -3.571 -16.487 1.00 0.00 O ATOM 41 CB SER A 5 1.615 -6.957 -16.247 1.00 0.00 C ATOM 42 OG SER A 5 0.578 -7.920 -16.327 1.00 0.00 O ATOM 0 H SER A 5 0.546 -5.514 -18.050 1.00 0.00 H new ATOM 0 HA SER A 5 0.411 -5.570 -15.130 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.198 -6.969 -17.168 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.295 -7.217 -15.435 1.00 0.00 H new ATOM 0 HG SER A 5 0.966 -8.807 -16.477 1.00 0.00 H new ATOM 48 N SER A 6 3.008 -4.852 -14.771 1.00 0.00 N ATOM 49 CA SER A 6 4.133 -3.988 -14.434 1.00 0.00 C ATOM 50 C SER A 6 5.455 -4.637 -14.833 1.00 0.00 C ATOM 51 O SER A 6 6.180 -4.123 -15.683 1.00 0.00 O ATOM 52 CB SER A 6 4.135 -3.677 -12.936 1.00 0.00 C ATOM 53 OG SER A 6 4.036 -4.865 -12.170 1.00 0.00 O ATOM 0 H SER A 6 2.916 -5.675 -14.176 1.00 0.00 H new ATOM 0 HA SER A 6 4.023 -3.057 -14.990 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.049 -3.146 -12.673 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.302 -3.016 -12.697 1.00 0.00 H new ATOM 0 HG SER A 6 4.041 -4.641 -11.216 1.00 0.00 H new ATOM 59 N GLY A 7 5.761 -5.771 -14.211 1.00 0.00 N ATOM 60 CA GLY A 7 6.995 -6.473 -14.513 1.00 0.00 C ATOM 61 C GLY A 7 7.519 -7.260 -13.329 1.00 0.00 C ATOM 62 O GLY A 7 6.752 -7.905 -12.613 1.00 0.00 O ATOM 0 H GLY A 7 5.177 -6.216 -13.503 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.828 -7.150 -15.350 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.750 -5.754 -14.830 1.00 0.00 H new ATOM 66 N PHE A 8 8.831 -7.210 -13.121 1.00 0.00 N ATOM 67 CA PHE A 8 9.458 -7.927 -12.016 1.00 0.00 C ATOM 68 C PHE A 8 10.667 -7.161 -11.488 1.00 0.00 C ATOM 69 O PHE A 8 11.769 -7.273 -12.026 1.00 0.00 O ATOM 70 CB PHE A 8 9.882 -9.327 -12.464 1.00 0.00 C ATOM 71 CG PHE A 8 9.765 -10.363 -11.383 1.00 0.00 C ATOM 72 CD1 PHE A 8 10.316 -10.143 -10.131 1.00 0.00 C ATOM 73 CD2 PHE A 8 9.103 -11.557 -11.619 1.00 0.00 C ATOM 74 CE1 PHE A 8 10.209 -11.094 -9.134 1.00 0.00 C ATOM 75 CE2 PHE A 8 8.993 -12.512 -10.626 1.00 0.00 C ATOM 76 CZ PHE A 8 9.548 -12.281 -9.382 1.00 0.00 C ATOM 0 H PHE A 8 9.480 -6.681 -13.703 1.00 0.00 H new ATOM 0 HA PHE A 8 8.727 -8.017 -11.212 1.00 0.00 H new ATOM 0 HB2 PHE A 8 9.269 -9.629 -13.314 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.914 -9.291 -12.812 1.00 0.00 H new ATOM 0 HD1 PHE A 8 10.835 -9.217 -9.932 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.668 -11.744 -12.590 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.642 -10.909 -8.162 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.474 -13.438 -10.822 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.465 -13.027 -8.605 1.00 0.00 H new ATOM 86 N SER A 9 10.453 -6.382 -10.433 1.00 0.00 N ATOM 87 CA SER A 9 11.523 -5.594 -9.834 1.00 0.00 C ATOM 88 C SER A 9 11.213 -5.276 -8.374 1.00 0.00 C ATOM 89 O SER A 9 10.155 -5.639 -7.859 1.00 0.00 O ATOM 90 CB SER A 9 11.729 -4.296 -10.617 1.00 0.00 C ATOM 91 OG SER A 9 10.751 -4.153 -11.633 1.00 0.00 O ATOM 0 H SER A 9 9.547 -6.280 -9.975 1.00 0.00 H new ATOM 0 HA SER A 9 12.439 -6.183 -9.873 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.679 -3.446 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.724 -4.290 -11.062 1.00 0.00 H new ATOM 0 HG SER A 9 10.903 -3.315 -12.118 1.00 0.00 H new ATOM 97 N LYS A 10 12.144 -4.597 -7.713 1.00 0.00 N ATOM 98 CA LYS A 10 11.972 -4.228 -6.313 1.00 0.00 C ATOM 99 C LYS A 10 11.905 -2.712 -6.153 1.00 0.00 C ATOM 100 O LYS A 10 12.917 -2.059 -5.894 1.00 0.00 O ATOM 101 CB LYS A 10 13.120 -4.789 -5.471 1.00 0.00 C ATOM 102 CG LYS A 10 14.490 -4.574 -6.091 1.00 0.00 C ATOM 103 CD LYS A 10 15.580 -5.260 -5.285 1.00 0.00 C ATOM 104 CE LYS A 10 16.119 -6.486 -6.006 1.00 0.00 C ATOM 105 NZ LYS A 10 17.386 -6.977 -5.396 1.00 0.00 N ATOM 0 H LYS A 10 13.026 -4.291 -8.124 1.00 0.00 H new ATOM 0 HA LYS A 10 11.031 -4.655 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.099 -4.323 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.962 -5.857 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.493 -4.959 -7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.699 -3.506 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.393 -4.558 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.185 -5.553 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.372 -7.280 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.291 -6.244 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.720 -7.813 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.107 -6.229 -5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.217 -7.232 -4.402 1.00 0.00 H new ATOM 119 N THR A 11 10.707 -2.157 -6.309 1.00 0.00 N ATOM 120 CA THR A 11 10.508 -0.719 -6.182 1.00 0.00 C ATOM 121 C THR A 11 10.016 -0.353 -4.786 1.00 0.00 C ATOM 122 O THR A 11 9.277 0.616 -4.614 1.00 0.00 O ATOM 123 CB THR A 11 9.500 -0.197 -7.223 1.00 0.00 C ATOM 124 OG1 THR A 11 8.355 -1.056 -7.270 1.00 0.00 O ATOM 125 CG2 THR A 11 10.138 -0.118 -8.602 1.00 0.00 C ATOM 0 H THR A 11 9.859 -2.682 -6.524 1.00 0.00 H new ATOM 0 HA THR A 11 11.476 -0.249 -6.358 1.00 0.00 H new ATOM 0 HB THR A 11 9.190 0.805 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.718 -0.716 -7.933 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.407 0.253 -9.320 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.991 0.559 -8.570 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.473 -1.110 -8.905 1.00 0.00 H new ATOM 133 N GLN A 12 10.430 -1.134 -3.794 1.00 0.00 N ATOM 134 CA GLN A 12 10.031 -0.890 -2.413 1.00 0.00 C ATOM 135 C GLN A 12 11.244 -0.878 -1.489 1.00 0.00 C ATOM 136 O GLN A 12 11.529 -1.864 -0.809 1.00 0.00 O ATOM 137 CB GLN A 12 9.035 -1.956 -1.953 1.00 0.00 C ATOM 138 CG GLN A 12 7.972 -2.283 -2.989 1.00 0.00 C ATOM 139 CD GLN A 12 8.326 -3.497 -3.826 1.00 0.00 C ATOM 140 OE1 GLN A 12 8.918 -4.456 -3.329 1.00 0.00 O ATOM 141 NE2 GLN A 12 7.966 -3.461 -5.103 1.00 0.00 N ATOM 0 H GLN A 12 11.041 -1.941 -3.921 1.00 0.00 H new ATOM 0 HA GLN A 12 9.553 0.089 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.580 -2.867 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.548 -1.616 -1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.021 -2.458 -2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.832 -1.423 -3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.477 -2.646 -5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.178 -4.249 -5.715 1.00 0.00 H new ATOM 150 N ARG A 13 11.955 0.245 -1.470 1.00 0.00 N ATOM 151 CA ARG A 13 13.139 0.384 -0.630 1.00 0.00 C ATOM 152 C ARG A 13 12.798 1.095 0.676 1.00 0.00 C ATOM 153 O ARG A 13 11.937 1.975 0.710 1.00 0.00 O ATOM 154 CB ARG A 13 14.230 1.157 -1.374 1.00 0.00 C ATOM 155 CG ARG A 13 13.953 2.648 -1.483 1.00 0.00 C ATOM 156 CD ARG A 13 14.837 3.303 -2.532 1.00 0.00 C ATOM 157 NE ARG A 13 14.056 3.898 -3.613 1.00 0.00 N ATOM 158 CZ ARG A 13 13.325 4.999 -3.471 1.00 0.00 C ATOM 159 NH1 ARG A 13 13.276 5.620 -2.301 1.00 0.00 N ATOM 160 NH2 ARG A 13 12.641 5.479 -4.502 1.00 0.00 N ATOM 0 H ARG A 13 11.732 1.071 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 13 13.507 -0.615 -0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.181 1.009 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.339 0.742 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.905 2.807 -1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.121 3.122 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.449 4.072 -2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.520 2.561 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 13 14.072 3.444 -4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.800 5.253 -1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.714 6.465 -2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.676 5.003 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.080 6.324 -4.393 1.00 0.00 H new ATOM 174 N TRP A 14 13.478 0.707 1.749 1.00 0.00 N ATOM 175 CA TRP A 14 13.246 1.307 3.059 1.00 0.00 C ATOM 176 C TRP A 14 13.312 2.828 2.980 1.00 0.00 C ATOM 177 O TRP A 14 13.968 3.385 2.100 1.00 0.00 O ATOM 178 CB TRP A 14 14.273 0.791 4.068 1.00 0.00 C ATOM 179 CG TRP A 14 15.092 1.881 4.691 1.00 0.00 C ATOM 180 CD1 TRP A 14 16.160 2.524 4.135 1.00 0.00 C ATOM 181 CD2 TRP A 14 14.910 2.452 5.992 1.00 0.00 C ATOM 182 NE1 TRP A 14 16.653 3.461 5.010 1.00 0.00 N ATOM 183 CE2 TRP A 14 15.903 3.437 6.156 1.00 0.00 C ATOM 184 CE3 TRP A 14 14.004 2.229 7.032 1.00 0.00 C ATOM 185 CZ2 TRP A 14 16.014 4.195 7.319 1.00 0.00 C ATOM 186 CZ3 TRP A 14 14.115 2.981 8.185 1.00 0.00 C ATOM 187 CH2 TRP A 14 15.113 3.955 8.321 1.00 0.00 C ATOM 0 H TRP A 14 14.194 -0.020 1.738 1.00 0.00 H new ATOM 0 HA TRP A 14 12.247 1.022 3.390 1.00 0.00 H new ATOM 0 HB2 TRP A 14 13.755 0.241 4.854 1.00 0.00 H new ATOM 0 HB3 TRP A 14 14.938 0.086 3.570 1.00 0.00 H new ATOM 0 HD1 TRP A 14 16.559 2.325 3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 14 17.448 4.075 4.835 1.00 0.00 H new ATOM 0 HE3 TRP A 14 13.230 1.482 6.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 16.783 4.945 7.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.421 2.816 8.996 1.00 0.00 H new ATOM 0 HH2 TRP A 14 15.173 4.528 9.235 1.00 0.00 H new ATOM 198 N ALA A 15 12.629 3.495 3.905 1.00 0.00 N ATOM 199 CA ALA A 15 12.612 4.952 3.940 1.00 0.00 C ATOM 200 C ALA A 15 13.092 5.473 5.290 1.00 0.00 C ATOM 201 O ALA A 15 12.898 4.828 6.320 1.00 0.00 O ATOM 202 CB ALA A 15 11.214 5.471 3.639 1.00 0.00 C ATOM 0 H ALA A 15 12.080 3.049 4.640 1.00 0.00 H new ATOM 0 HA ALA A 15 13.296 5.318 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.216 6.561 3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.907 5.135 2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.516 5.089 4.384 1.00 0.00 H new ATOM 208 N GLU A 16 13.721 6.644 5.277 1.00 0.00 N ATOM 209 CA GLU A 16 14.231 7.251 6.501 1.00 0.00 C ATOM 210 C GLU A 16 13.093 7.555 7.472 1.00 0.00 C ATOM 211 O GLU A 16 11.921 7.604 7.098 1.00 0.00 O ATOM 212 CB GLU A 16 14.998 8.535 6.180 1.00 0.00 C ATOM 213 CG GLU A 16 16.490 8.320 5.984 1.00 0.00 C ATOM 214 CD GLU A 16 17.187 9.544 5.423 1.00 0.00 C ATOM 215 OE1 GLU A 16 16.484 10.464 4.955 1.00 0.00 O ATOM 216 OE2 GLU A 16 18.435 9.582 5.452 1.00 0.00 O ATOM 0 H GLU A 16 13.890 7.191 4.433 1.00 0.00 H new ATOM 0 HA GLU A 16 14.909 6.540 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.582 8.981 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.846 9.251 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.943 8.054 6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.646 7.477 5.311 1.00 0.00 H new ATOM 223 N PRO A 17 13.446 7.763 8.749 1.00 0.00 N ATOM 224 CA PRO A 17 12.470 8.066 9.800 1.00 0.00 C ATOM 225 C PRO A 17 11.857 9.453 9.641 1.00 0.00 C ATOM 226 O PRO A 17 12.240 10.395 10.333 1.00 0.00 O ATOM 227 CB PRO A 17 13.298 7.992 11.086 1.00 0.00 C ATOM 228 CG PRO A 17 14.694 8.283 10.654 1.00 0.00 C ATOM 229 CD PRO A 17 14.824 7.720 9.266 1.00 0.00 C ATOM 0 HA PRO A 17 11.625 7.378 9.780 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.952 8.718 11.822 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.224 7.008 11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.889 9.355 10.660 1.00 0.00 H new ATOM 0 HG3 PRO A 17 15.415 7.824 11.330 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.502 8.315 8.653 1.00 0.00 H new ATOM 0 HD3 PRO A 17 15.216 6.703 9.280 1.00 0.00 H new ATOM 237 N GLY A 18 10.902 9.572 8.723 1.00 0.00 N ATOM 238 CA GLY A 18 10.252 10.848 8.489 1.00 0.00 C ATOM 239 C GLY A 18 9.417 10.850 7.224 1.00 0.00 C ATOM 240 O GLY A 18 8.450 11.603 7.113 1.00 0.00 O ATOM 0 H GLY A 18 10.567 8.807 8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.616 11.090 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 18 11.008 11.631 8.423 1.00 0.00 H new ATOM 244 N GLU A 19 9.793 10.007 6.267 1.00 0.00 N ATOM 245 CA GLU A 19 9.073 9.918 5.002 1.00 0.00 C ATOM 246 C GLU A 19 7.958 8.879 5.084 1.00 0.00 C ATOM 247 O GLU A 19 7.937 8.021 5.966 1.00 0.00 O ATOM 248 CB GLU A 19 10.034 9.562 3.866 1.00 0.00 C ATOM 249 CG GLU A 19 10.432 10.753 3.010 1.00 0.00 C ATOM 250 CD GLU A 19 10.971 10.342 1.654 1.00 0.00 C ATOM 251 OE1 GLU A 19 11.879 9.486 1.610 1.00 0.00 O ATOM 252 OE2 GLU A 19 10.485 10.877 0.636 1.00 0.00 O ATOM 0 H GLU A 19 10.591 9.377 6.344 1.00 0.00 H new ATOM 0 HA GLU A 19 8.626 10.891 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.933 9.113 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.569 8.808 3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.567 11.402 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.188 11.337 3.535 1.00 0.00 H new ATOM 259 N PRO A 20 7.007 8.958 4.141 1.00 0.00 N ATOM 260 CA PRO A 20 5.870 8.034 4.084 1.00 0.00 C ATOM 261 C PRO A 20 6.290 6.624 3.681 1.00 0.00 C ATOM 262 O PRO A 20 7.263 6.441 2.950 1.00 0.00 O ATOM 263 CB PRO A 20 4.966 8.649 3.013 1.00 0.00 C ATOM 264 CG PRO A 20 5.887 9.440 2.149 1.00 0.00 C ATOM 265 CD PRO A 20 6.967 9.956 3.059 1.00 0.00 C ATOM 0 HA PRO A 20 5.387 7.921 5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.450 7.878 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.199 9.283 3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.307 8.821 1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.359 10.262 1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.925 10.029 2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.732 10.951 3.438 1.00 0.00 H new ATOM 273 N ILE A 21 5.549 5.631 4.162 1.00 0.00 N ATOM 274 CA ILE A 21 5.844 4.238 3.851 1.00 0.00 C ATOM 275 C ILE A 21 4.583 3.489 3.434 1.00 0.00 C ATOM 276 O ILE A 21 3.490 3.769 3.928 1.00 0.00 O ATOM 277 CB ILE A 21 6.484 3.516 5.051 1.00 0.00 C ATOM 278 CG1 ILE A 21 7.776 4.221 5.469 1.00 0.00 C ATOM 279 CG2 ILE A 21 6.756 2.059 4.709 1.00 0.00 C ATOM 280 CD1 ILE A 21 8.088 4.086 6.943 1.00 0.00 C ATOM 0 H ILE A 21 4.740 5.766 4.769 1.00 0.00 H new ATOM 0 HA ILE A 21 6.552 4.243 3.022 1.00 0.00 H new ATOM 0 HB ILE A 21 5.788 3.548 5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.606 3.814 4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.701 5.279 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.208 1.562 5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.819 1.564 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.436 2.006 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.017 4.610 7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.277 4.519 7.528 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.195 3.031 7.197 1.00 0.00 H new ATOM 292 N CYS A 22 4.742 2.535 2.524 1.00 0.00 N ATOM 293 CA CYS A 22 3.617 1.743 2.041 1.00 0.00 C ATOM 294 C CYS A 22 2.801 1.191 3.206 1.00 0.00 C ATOM 295 O CYS A 22 3.353 0.787 4.229 1.00 0.00 O ATOM 296 CB CYS A 22 4.116 0.593 1.163 1.00 0.00 C ATOM 297 SG CYS A 22 2.973 0.134 -0.180 1.00 0.00 S ATOM 0 H CYS A 22 5.640 2.291 2.106 1.00 0.00 H new ATOM 0 HA CYS A 22 2.975 2.393 1.447 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.076 0.871 0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.291 -0.280 1.791 1.00 0.00 H new ATOM 302 N VAL A 23 1.482 1.177 3.042 1.00 0.00 N ATOM 303 CA VAL A 23 0.588 0.673 4.078 1.00 0.00 C ATOM 304 C VAL A 23 0.271 -0.802 3.861 1.00 0.00 C ATOM 305 O VAL A 23 -0.466 -1.411 4.638 1.00 0.00 O ATOM 306 CB VAL A 23 -0.730 1.470 4.119 1.00 0.00 C ATOM 307 CG1 VAL A 23 -0.498 2.856 4.701 1.00 0.00 C ATOM 308 CG2 VAL A 23 -1.340 1.561 2.728 1.00 0.00 C ATOM 0 H VAL A 23 1.009 1.509 2.202 1.00 0.00 H new ATOM 0 HA VAL A 23 1.106 0.794 5.029 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.433 0.945 4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.440 3.404 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.109 2.764 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.221 3.394 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.270 2.127 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.643 2.063 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.544 0.558 2.354 1.00 0.00 H new ATOM 318 N VAL A 24 0.832 -1.373 2.800 1.00 0.00 N ATOM 319 CA VAL A 24 0.610 -2.778 2.481 1.00 0.00 C ATOM 320 C VAL A 24 1.930 -3.537 2.395 1.00 0.00 C ATOM 321 O VAL A 24 2.001 -4.720 2.728 1.00 0.00 O ATOM 322 CB VAL A 24 -0.149 -2.938 1.150 1.00 0.00 C ATOM 323 CG1 VAL A 24 -1.594 -2.488 1.301 1.00 0.00 C ATOM 324 CG2 VAL A 24 0.548 -2.161 0.043 1.00 0.00 C ATOM 0 H VAL A 24 1.444 -0.884 2.147 1.00 0.00 H new ATOM 0 HA VAL A 24 0.006 -3.194 3.287 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.150 -3.993 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.114 -2.608 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.086 -3.093 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.619 -1.440 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.001 -2.285 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.582 -1.104 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.564 -2.537 -0.081 1.00 0.00 H new ATOM 334 N CYS A 25 2.974 -2.848 1.947 1.00 0.00 N ATOM 335 CA CYS A 25 4.293 -3.456 1.818 1.00 0.00 C ATOM 336 C CYS A 25 5.103 -3.275 3.098 1.00 0.00 C ATOM 337 O CYS A 25 5.219 -4.195 3.907 1.00 0.00 O ATOM 338 CB CYS A 25 5.045 -2.844 0.634 1.00 0.00 C ATOM 339 SG CYS A 25 4.278 -3.175 -0.985 1.00 0.00 S ATOM 0 H CYS A 25 2.932 -1.868 1.667 1.00 0.00 H new ATOM 0 HA CYS A 25 4.159 -4.523 1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.113 -1.766 0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.065 -3.229 0.627 1.00 0.00 H new ATOM 344 N GLY A 26 5.663 -2.082 3.274 1.00 0.00 N ATOM 345 CA GLY A 26 6.455 -1.801 4.457 1.00 0.00 C ATOM 346 C GLY A 26 7.858 -1.338 4.119 1.00 0.00 C ATOM 347 O GLY A 26 8.837 -1.855 4.659 1.00 0.00 O ATOM 0 H GLY A 26 5.582 -1.305 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.956 -1.035 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.510 -2.697 5.075 1.00 0.00 H new ATOM 351 N ARG A 27 7.958 -0.363 3.221 1.00 0.00 N ATOM 352 CA ARG A 27 9.252 0.167 2.809 1.00 0.00 C ATOM 353 C ARG A 27 9.189 1.682 2.637 1.00 0.00 C ATOM 354 O ARG A 27 9.721 2.432 3.456 1.00 0.00 O ATOM 355 CB ARG A 27 9.702 -0.488 1.502 1.00 0.00 C ATOM 356 CG ARG A 27 9.856 -1.997 1.598 1.00 0.00 C ATOM 357 CD ARG A 27 11.184 -2.382 2.232 1.00 0.00 C ATOM 358 NE ARG A 27 11.888 -3.398 1.455 1.00 0.00 N ATOM 359 CZ ARG A 27 12.917 -4.097 1.920 1.00 0.00 C ATOM 360 NH1 ARG A 27 13.359 -3.892 3.152 1.00 0.00 N ATOM 361 NH2 ARG A 27 13.505 -5.005 1.151 1.00 0.00 N ATOM 0 H ARG A 27 7.158 0.076 2.765 1.00 0.00 H new ATOM 0 HA ARG A 27 9.977 -0.062 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.979 -0.254 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.654 -0.053 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.037 -2.411 2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.786 -2.435 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.812 -1.496 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.009 -2.754 3.241 1.00 0.00 H new ATOM 0 HE ARG A 27 11.572 -3.581 0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.909 -3.196 3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.150 -4.430 3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.167 -5.166 0.202 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.295 -5.542 1.509 1.00 0.00 H new ATOM 375 N TYR A 28 8.536 2.123 1.568 1.00 0.00 N ATOM 376 CA TYR A 28 8.406 3.548 1.286 1.00 0.00 C ATOM 377 C TYR A 28 7.125 3.835 0.509 1.00 0.00 C ATOM 378 O TYR A 28 6.653 3.001 -0.262 1.00 0.00 O ATOM 379 CB TYR A 28 9.618 4.046 0.496 1.00 0.00 C ATOM 380 CG TYR A 28 9.495 5.483 0.042 1.00 0.00 C ATOM 381 CD1 TYR A 28 9.373 6.516 0.963 1.00 0.00 C ATOM 382 CD2 TYR A 28 9.500 5.807 -1.309 1.00 0.00 C ATOM 383 CE1 TYR A 28 9.260 7.830 0.552 1.00 0.00 C ATOM 384 CE2 TYR A 28 9.389 7.119 -1.729 1.00 0.00 C ATOM 385 CZ TYR A 28 9.269 8.126 -0.795 1.00 0.00 C ATOM 386 OH TYR A 28 9.157 9.434 -1.209 1.00 0.00 O ATOM 0 H TYR A 28 8.088 1.515 0.882 1.00 0.00 H new ATOM 0 HA TYR A 28 8.359 4.078 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.511 3.944 1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.759 3.409 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.366 6.288 2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.592 5.020 -2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.165 8.621 1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.396 7.354 -2.783 1.00 0.00 H new ATOM 0 HH TYR A 28 9.688 10.010 -0.621 1.00 0.00 H new ATOM 396 N GLY A 29 6.567 5.024 0.719 1.00 0.00 N ATOM 397 CA GLY A 29 5.346 5.402 0.031 1.00 0.00 C ATOM 398 C GLY A 29 5.525 6.635 -0.832 1.00 0.00 C ATOM 399 O GLY A 29 5.062 7.719 -0.479 1.00 0.00 O ATOM 0 H GLY A 29 6.939 5.732 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.011 4.572 -0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.561 5.587 0.765 1.00 0.00 H new ATOM 403 N GLU A 30 6.201 6.470 -1.965 1.00 0.00 N ATOM 404 CA GLU A 30 6.441 7.580 -2.879 1.00 0.00 C ATOM 405 C GLU A 30 5.131 8.257 -3.270 1.00 0.00 C ATOM 406 O GLU A 30 5.108 9.438 -3.615 1.00 0.00 O ATOM 407 CB GLU A 30 7.168 7.089 -4.133 1.00 0.00 C ATOM 408 CG GLU A 30 6.272 6.335 -5.100 1.00 0.00 C ATOM 409 CD GLU A 30 7.053 5.442 -6.044 1.00 0.00 C ATOM 410 OE1 GLU A 30 7.544 4.386 -5.593 1.00 0.00 O ATOM 411 OE2 GLU A 30 7.174 5.799 -7.235 1.00 0.00 O ATOM 0 H GLU A 30 6.592 5.579 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 30 7.068 8.310 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.605 7.945 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.992 6.441 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.563 5.729 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.689 7.049 -5.681 1.00 0.00 H new ATOM 418 N TYR A 31 4.041 7.499 -3.214 1.00 0.00 N ATOM 419 CA TYR A 31 2.727 8.023 -3.566 1.00 0.00 C ATOM 420 C TYR A 31 1.838 8.136 -2.331 1.00 0.00 C ATOM 421 O TYR A 31 1.959 7.350 -1.391 1.00 0.00 O ATOM 422 CB TYR A 31 2.058 7.126 -4.608 1.00 0.00 C ATOM 423 CG TYR A 31 2.800 7.070 -5.925 1.00 0.00 C ATOM 424 CD1 TYR A 31 3.326 8.222 -6.497 1.00 0.00 C ATOM 425 CD2 TYR A 31 2.976 5.866 -6.595 1.00 0.00 C ATOM 426 CE1 TYR A 31 4.004 8.176 -7.700 1.00 0.00 C ATOM 427 CE2 TYR A 31 3.654 5.811 -7.798 1.00 0.00 C ATOM 428 CZ TYR A 31 4.166 6.968 -8.346 1.00 0.00 C ATOM 429 OH TYR A 31 4.842 6.918 -9.544 1.00 0.00 O ATOM 0 H TYR A 31 4.042 6.520 -2.928 1.00 0.00 H new ATOM 0 HA TYR A 31 2.863 9.019 -3.988 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.973 6.117 -4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.044 7.484 -4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.203 9.169 -5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.576 4.958 -6.169 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.405 9.081 -8.132 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.782 4.867 -8.306 1.00 0.00 H new ATOM 0 HH TYR A 31 4.869 5.993 -9.866 1.00 0.00 H new ATOM 439 N ILE A 32 0.944 9.120 -2.342 1.00 0.00 N ATOM 440 CA ILE A 32 0.033 9.335 -1.224 1.00 0.00 C ATOM 441 C ILE A 32 -1.386 9.600 -1.716 1.00 0.00 C ATOM 442 O ILE A 32 -1.613 10.484 -2.543 1.00 0.00 O ATOM 443 CB ILE A 32 0.489 10.515 -0.346 1.00 0.00 C ATOM 444 CG1 ILE A 32 1.799 10.173 0.367 1.00 0.00 C ATOM 445 CG2 ILE A 32 -0.592 10.873 0.664 1.00 0.00 C ATOM 446 CD1 ILE A 32 3.029 10.678 -0.354 1.00 0.00 C ATOM 0 H ILE A 32 0.831 9.780 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 32 0.044 8.423 -0.627 1.00 0.00 H new ATOM 0 HB ILE A 32 0.661 11.380 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.778 10.596 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.871 9.091 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.255 11.709 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.504 11.154 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.793 10.013 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.920 10.400 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.075 10.236 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.980 11.763 -0.441 1.00 0.00 H new ATOM 458 N CYS A 33 -2.338 8.831 -1.200 1.00 0.00 N ATOM 459 CA CYS A 33 -3.737 8.983 -1.585 1.00 0.00 C ATOM 460 C CYS A 33 -4.312 10.287 -1.041 1.00 0.00 C ATOM 461 O CYS A 33 -3.609 11.066 -0.397 1.00 0.00 O ATOM 462 CB CYS A 33 -4.559 7.798 -1.077 1.00 0.00 C ATOM 463 SG CYS A 33 -5.761 7.167 -2.271 1.00 0.00 S ATOM 0 H CYS A 33 -2.167 8.096 -0.514 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.788 9.011 -2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.880 6.991 -0.800 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.086 8.097 -0.171 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.497 5.922 -2.536 1.00 0.00 H new ATOM 469 N ASP A 34 -5.593 10.518 -1.306 1.00 0.00 N ATOM 470 CA ASP A 34 -6.263 11.728 -0.844 1.00 0.00 C ATOM 471 C ASP A 34 -7.242 11.411 0.283 1.00 0.00 C ATOM 472 O ASP A 34 -7.137 11.954 1.382 1.00 0.00 O ATOM 473 CB ASP A 34 -7.000 12.402 -2.002 1.00 0.00 C ATOM 474 CG ASP A 34 -6.277 13.635 -2.509 1.00 0.00 C ATOM 475 OD1 ASP A 34 -6.028 14.551 -1.698 1.00 0.00 O ATOM 476 OD2 ASP A 34 -5.961 13.683 -3.716 1.00 0.00 O ATOM 0 H ASP A 34 -6.188 9.883 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.504 12.410 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.115 11.690 -2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.003 12.680 -1.678 1.00 0.00 H new ATOM 481 N LYS A 35 -8.194 10.528 0.001 1.00 0.00 N ATOM 482 CA LYS A 35 -9.192 10.137 0.989 1.00 0.00 C ATOM 483 C LYS A 35 -8.528 9.707 2.293 1.00 0.00 C ATOM 484 O LYS A 35 -8.553 10.437 3.285 1.00 0.00 O ATOM 485 CB LYS A 35 -10.059 8.999 0.446 1.00 0.00 C ATOM 486 CG LYS A 35 -11.051 9.442 -0.615 1.00 0.00 C ATOM 487 CD LYS A 35 -10.895 8.637 -1.895 1.00 0.00 C ATOM 488 CE LYS A 35 -11.828 9.139 -2.986 1.00 0.00 C ATOM 489 NZ LYS A 35 -11.584 8.451 -4.284 1.00 0.00 N ATOM 0 H LYS A 35 -8.295 10.069 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.824 11.002 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.412 8.229 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.604 8.543 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.066 9.330 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.907 10.501 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.863 8.698 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.102 7.586 -1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.862 8.981 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.693 10.213 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.240 8.821 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.605 8.622 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.737 7.429 -4.169 1.00 0.00 H new ATOM 503 N THR A 36 -7.933 8.519 2.285 1.00 0.00 N ATOM 504 CA THR A 36 -7.261 7.992 3.466 1.00 0.00 C ATOM 505 C THR A 36 -5.933 8.701 3.706 1.00 0.00 C ATOM 506 O THR A 36 -5.390 8.666 4.810 1.00 0.00 O ATOM 507 CB THR A 36 -7.007 6.478 3.340 1.00 0.00 C ATOM 508 OG1 THR A 36 -6.021 6.230 2.331 1.00 0.00 O ATOM 509 CG2 THR A 36 -8.291 5.740 2.994 1.00 0.00 C ATOM 0 H THR A 36 -7.903 7.903 1.473 1.00 0.00 H new ATOM 0 HA THR A 36 -7.924 8.172 4.313 1.00 0.00 H new ATOM 0 HB THR A 36 -6.645 6.111 4.300 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.852 5.267 2.269 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.086 4.673 2.910 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.029 5.907 3.778 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.679 6.110 2.045 1.00 0.00 H new ATOM 517 N ASP A 37 -5.415 9.345 2.666 1.00 0.00 N ATOM 518 CA ASP A 37 -4.151 10.064 2.764 1.00 0.00 C ATOM 519 C ASP A 37 -3.004 9.107 3.073 1.00 0.00 C ATOM 520 O ASP A 37 -1.925 9.530 3.488 1.00 0.00 O ATOM 521 CB ASP A 37 -4.236 11.143 3.844 1.00 0.00 C ATOM 522 CG ASP A 37 -5.467 12.015 3.695 1.00 0.00 C ATOM 523 OD1 ASP A 37 -5.391 13.033 2.976 1.00 0.00 O ATOM 524 OD2 ASP A 37 -6.508 11.679 4.298 1.00 0.00 O ATOM 0 H ASP A 37 -5.852 9.384 1.745 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.956 10.538 1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.246 10.670 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.344 11.768 3.800 1.00 0.00 H new ATOM 529 N GLU A 38 -3.245 7.816 2.868 1.00 0.00 N ATOM 530 CA GLU A 38 -2.232 6.799 3.127 1.00 0.00 C ATOM 531 C GLU A 38 -1.050 6.955 2.175 1.00 0.00 C ATOM 532 O GLU A 38 -0.999 7.893 1.379 1.00 0.00 O ATOM 533 CB GLU A 38 -2.835 5.400 2.986 1.00 0.00 C ATOM 534 CG GLU A 38 -3.741 5.008 4.140 1.00 0.00 C ATOM 535 CD GLU A 38 -3.120 5.295 5.494 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.209 6.452 5.954 1.00 0.00 O ATOM 537 OE2 GLU A 38 -2.545 4.362 6.092 1.00 0.00 O ATOM 0 H GLU A 38 -4.132 7.450 2.524 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.873 6.930 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.403 5.350 2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.028 4.672 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.684 5.547 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.974 3.946 4.069 1.00 0.00 H new ATOM 544 N ASP A 39 -0.101 6.029 2.264 1.00 0.00 N ATOM 545 CA ASP A 39 1.081 6.062 1.411 1.00 0.00 C ATOM 546 C ASP A 39 1.303 4.710 0.738 1.00 0.00 C ATOM 547 O ASP A 39 1.078 3.661 1.341 1.00 0.00 O ATOM 548 CB ASP A 39 2.315 6.448 2.227 1.00 0.00 C ATOM 549 CG ASP A 39 2.055 7.625 3.147 1.00 0.00 C ATOM 550 OD1 ASP A 39 1.337 8.558 2.729 1.00 0.00 O ATOM 551 OD2 ASP A 39 2.570 7.613 4.285 1.00 0.00 O ATOM 0 H ASP A 39 -0.128 5.247 2.918 1.00 0.00 H new ATOM 0 HA ASP A 39 0.919 6.812 0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.638 5.592 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.133 6.694 1.550 1.00 0.00 H new ATOM 556 N VAL A 40 1.746 4.744 -0.515 1.00 0.00 N ATOM 557 CA VAL A 40 1.999 3.523 -1.269 1.00 0.00 C ATOM 558 C VAL A 40 3.224 3.674 -2.165 1.00 0.00 C ATOM 559 O VAL A 40 3.676 4.787 -2.434 1.00 0.00 O ATOM 560 CB VAL A 40 0.786 3.138 -2.138 1.00 0.00 C ATOM 561 CG1 VAL A 40 -0.318 2.540 -1.279 1.00 0.00 C ATOM 562 CG2 VAL A 40 0.278 4.348 -2.908 1.00 0.00 C ATOM 0 H VAL A 40 1.937 5.604 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 40 2.180 2.733 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 40 1.101 2.383 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.166 2.274 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.055 1.647 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.635 3.270 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.579 4.059 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.022 5.126 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.070 4.727 -3.554 1.00 0.00 H new ATOM 572 N CYS A 41 3.756 2.546 -2.624 1.00 0.00 N ATOM 573 CA CYS A 41 4.930 2.551 -3.489 1.00 0.00 C ATOM 574 C CYS A 41 4.531 2.340 -4.947 1.00 0.00 C ATOM 575 O CYS A 41 5.104 2.947 -5.852 1.00 0.00 O ATOM 576 CB CYS A 41 5.914 1.463 -3.056 1.00 0.00 C ATOM 577 SG CYS A 41 5.278 -0.234 -3.247 1.00 0.00 S ATOM 0 H CYS A 41 3.393 1.617 -2.411 1.00 0.00 H new ATOM 0 HA CYS A 41 5.413 3.524 -3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.830 1.564 -3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.181 1.624 -2.012 1.00 0.00 H new ATOM 582 N SER A 42 3.544 1.477 -5.166 1.00 0.00 N ATOM 583 CA SER A 42 3.071 1.183 -6.514 1.00 0.00 C ATOM 584 C SER A 42 1.579 1.479 -6.642 1.00 0.00 C ATOM 585 O SER A 42 0.841 1.445 -5.657 1.00 0.00 O ATOM 586 CB SER A 42 3.344 -0.280 -6.866 1.00 0.00 C ATOM 587 OG SER A 42 4.721 -0.588 -6.731 1.00 0.00 O ATOM 0 H SER A 42 3.056 0.969 -4.428 1.00 0.00 H new ATOM 0 HA SER A 42 3.613 1.823 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.757 -0.929 -6.216 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.022 -0.478 -7.889 1.00 0.00 H new ATOM 0 HG SER A 42 4.978 -0.532 -5.787 1.00 0.00 H new ATOM 593 N LEU A 43 1.143 1.768 -7.863 1.00 0.00 N ATOM 594 CA LEU A 43 -0.261 2.070 -8.122 1.00 0.00 C ATOM 595 C LEU A 43 -1.157 0.923 -7.668 1.00 0.00 C ATOM 596 O LEU A 43 -2.300 1.137 -7.267 1.00 0.00 O ATOM 597 CB LEU A 43 -0.477 2.344 -9.611 1.00 0.00 C ATOM 598 CG LEU A 43 -0.331 3.800 -10.054 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.564 3.928 -11.552 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.295 4.691 -9.285 1.00 0.00 C ATOM 0 H LEU A 43 1.741 1.800 -8.689 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.527 2.961 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.232 1.740 -10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.476 2.001 -9.882 1.00 0.00 H new ATOM 0 HG LEU A 43 0.686 4.126 -9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.456 4.971 -11.849 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.166 3.321 -12.087 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.569 3.584 -11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.177 5.724 -9.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.319 4.366 -9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.081 4.623 -8.218 1.00 0.00 H new ATOM 612 N GLU A 44 -0.629 -0.296 -7.734 1.00 0.00 N ATOM 613 CA GLU A 44 -1.382 -1.477 -7.328 1.00 0.00 C ATOM 614 C GLU A 44 -1.664 -1.454 -5.829 1.00 0.00 C ATOM 615 O GLU A 44 -2.731 -1.874 -5.380 1.00 0.00 O ATOM 616 CB GLU A 44 -0.614 -2.749 -7.694 1.00 0.00 C ATOM 617 CG GLU A 44 -1.305 -4.026 -7.248 1.00 0.00 C ATOM 618 CD GLU A 44 -0.571 -5.274 -7.698 1.00 0.00 C ATOM 619 OE1 GLU A 44 0.481 -5.589 -7.103 1.00 0.00 O ATOM 620 OE2 GLU A 44 -1.047 -5.936 -8.644 1.00 0.00 O ATOM 0 H GLU A 44 0.316 -0.491 -8.064 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.334 -1.470 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.473 -2.780 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.378 -2.707 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.387 -4.030 -6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.320 -4.043 -7.645 1.00 0.00 H new ATOM 627 N CYS A 45 -0.700 -0.960 -5.059 1.00 0.00 N ATOM 628 CA CYS A 45 -0.843 -0.882 -3.610 1.00 0.00 C ATOM 629 C CYS A 45 -1.950 0.095 -3.224 1.00 0.00 C ATOM 630 O CYS A 45 -2.676 -0.123 -2.254 1.00 0.00 O ATOM 631 CB CYS A 45 0.478 -0.453 -2.969 1.00 0.00 C ATOM 632 SG CYS A 45 1.844 -1.632 -3.221 1.00 0.00 S ATOM 0 H CYS A 45 0.189 -0.608 -5.414 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.113 -1.872 -3.243 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.769 0.516 -3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.323 -0.316 -1.899 1.00 0.00 H new ATOM 637 N LYS A 46 -2.072 1.174 -3.990 1.00 0.00 N ATOM 638 CA LYS A 46 -3.090 2.186 -3.731 1.00 0.00 C ATOM 639 C LYS A 46 -4.478 1.557 -3.672 1.00 0.00 C ATOM 640 O LYS A 46 -5.126 1.557 -2.626 1.00 0.00 O ATOM 641 CB LYS A 46 -3.052 3.266 -4.814 1.00 0.00 C ATOM 642 CG LYS A 46 -4.259 4.188 -4.796 1.00 0.00 C ATOM 643 CD LYS A 46 -3.931 5.547 -5.391 1.00 0.00 C ATOM 644 CE LYS A 46 -4.922 5.933 -6.479 1.00 0.00 C ATOM 645 NZ LYS A 46 -4.294 6.788 -7.524 1.00 0.00 N ATOM 0 H LYS A 46 -1.478 1.370 -4.796 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.876 2.643 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.148 3.862 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.986 2.787 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.075 3.732 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.607 4.313 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.940 6.302 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.923 5.530 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.324 5.031 -6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.763 6.464 -6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.002 7.029 -8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.933 7.661 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.508 6.272 -7.968 1.00 0.00 H new ATOM 659 N ALA A 47 -4.929 1.022 -4.802 1.00 0.00 N ATOM 660 CA ALA A 47 -6.239 0.388 -4.878 1.00 0.00 C ATOM 661 C ALA A 47 -6.319 -0.818 -3.948 1.00 0.00 C ATOM 662 O ALA A 47 -7.394 -1.168 -3.459 1.00 0.00 O ATOM 663 CB ALA A 47 -6.543 -0.027 -6.310 1.00 0.00 C ATOM 0 H ALA A 47 -4.406 1.015 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.986 1.114 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.525 -0.499 -6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.536 0.853 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.786 -0.733 -6.653 1.00 0.00 H new ATOM 669 N LYS A 48 -5.176 -1.451 -3.706 1.00 0.00 N ATOM 670 CA LYS A 48 -5.116 -2.617 -2.834 1.00 0.00 C ATOM 671 C LYS A 48 -5.553 -2.261 -1.417 1.00 0.00 C ATOM 672 O LYS A 48 -6.080 -3.102 -0.689 1.00 0.00 O ATOM 673 CB LYS A 48 -3.697 -3.191 -2.813 1.00 0.00 C ATOM 674 CG LYS A 48 -3.531 -4.434 -3.670 1.00 0.00 C ATOM 675 CD LYS A 48 -2.362 -5.283 -3.200 1.00 0.00 C ATOM 676 CE LYS A 48 -2.697 -6.032 -1.919 1.00 0.00 C ATOM 677 NZ LYS A 48 -2.350 -7.477 -2.014 1.00 0.00 N ATOM 0 H LYS A 48 -4.278 -1.175 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.800 -3.369 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.000 -2.427 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.426 -3.430 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.447 -5.024 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.376 -4.143 -4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.092 -5.996 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.492 -4.647 -3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.158 -5.583 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.761 -5.927 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.594 -7.952 -1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.883 -7.912 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.331 -7.578 -2.193 1.00 0.00 H new ATOM 691 N HIS A 49 -5.332 -1.008 -1.032 1.00 0.00 N ATOM 692 CA HIS A 49 -5.705 -0.539 0.298 1.00 0.00 C ATOM 693 C HIS A 49 -7.092 0.096 0.281 1.00 0.00 C ATOM 694 O HIS A 49 -7.877 -0.077 1.214 1.00 0.00 O ATOM 695 CB HIS A 49 -4.677 0.468 0.814 1.00 0.00 C ATOM 696 CG HIS A 49 -5.087 1.143 2.086 1.00 0.00 C ATOM 697 ND1 HIS A 49 -4.804 0.631 3.335 1.00 0.00 N ATOM 698 CD2 HIS A 49 -5.760 2.298 2.298 1.00 0.00 C ATOM 699 CE1 HIS A 49 -5.288 1.441 4.260 1.00 0.00 C ATOM 700 NE2 HIS A 49 -5.872 2.461 3.657 1.00 0.00 N ATOM 0 H HIS A 49 -4.896 -0.299 -1.622 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.727 -1.400 0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.728 -0.043 0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.507 1.225 0.049 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.139 2.967 1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.218 1.294 5.328 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -6.331 3.242 4.125 1.00 0.00 H new ATOM 708 N LEU A 50 -7.388 0.831 -0.785 1.00 0.00 N ATOM 709 CA LEU A 50 -8.680 1.493 -0.924 1.00 0.00 C ATOM 710 C LEU A 50 -9.817 0.475 -0.919 1.00 0.00 C ATOM 711 O LEU A 50 -10.747 0.571 -0.118 1.00 0.00 O ATOM 712 CB LEU A 50 -8.720 2.313 -2.215 1.00 0.00 C ATOM 713 CG LEU A 50 -7.768 3.508 -2.281 1.00 0.00 C ATOM 714 CD1 LEU A 50 -8.002 4.307 -3.554 1.00 0.00 C ATOM 715 CD2 LEU A 50 -7.938 4.393 -1.055 1.00 0.00 C ATOM 0 H LEU A 50 -6.750 0.984 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.811 2.161 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.497 1.649 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.737 2.676 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.745 3.133 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.316 5.153 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.829 3.669 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.029 4.672 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.253 5.238 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.964 4.760 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.720 3.816 -0.157 1.00 0.00 H new ATOM 727 N LEU A 51 -9.734 -0.500 -1.818 1.00 0.00 N ATOM 728 CA LEU A 51 -10.754 -1.538 -1.916 1.00 0.00 C ATOM 729 C LEU A 51 -10.808 -2.371 -0.640 1.00 0.00 C ATOM 730 O LEU A 51 -11.773 -3.097 -0.402 1.00 0.00 O ATOM 731 CB LEU A 51 -10.475 -2.442 -3.118 1.00 0.00 C ATOM 732 CG LEU A 51 -9.847 -3.801 -2.803 1.00 0.00 C ATOM 733 CD1 LEU A 51 -9.787 -4.663 -4.055 1.00 0.00 C ATOM 734 CD2 LEU A 51 -8.458 -3.622 -2.210 1.00 0.00 C ATOM 0 H LEU A 51 -8.971 -0.593 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.720 -1.052 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.414 -2.611 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.816 -1.909 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.472 -4.307 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.338 -5.626 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.796 -4.819 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.185 -4.162 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.027 -4.599 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.823 -3.096 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.527 -3.043 -1.289 1.00 0.00 H new ATOM 746 N GLN A 52 -9.767 -2.259 0.179 1.00 0.00 N ATOM 747 CA GLN A 52 -9.697 -3.001 1.432 1.00 0.00 C ATOM 748 C GLN A 52 -10.305 -2.196 2.576 1.00 0.00 C ATOM 749 O GLN A 52 -10.741 -2.757 3.581 1.00 0.00 O ATOM 750 CB GLN A 52 -8.246 -3.357 1.758 1.00 0.00 C ATOM 751 CG GLN A 52 -7.821 -4.719 1.233 1.00 0.00 C ATOM 752 CD GLN A 52 -7.850 -5.792 2.303 1.00 0.00 C ATOM 753 OE1 GLN A 52 -8.647 -6.729 2.238 1.00 0.00 O ATOM 754 NE2 GLN A 52 -6.979 -5.662 3.297 1.00 0.00 N ATOM 0 H GLN A 52 -8.961 -1.661 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.271 -3.920 1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.590 -2.594 1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.109 -3.335 2.839 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.479 -5.010 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.814 -4.648 0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.336 -4.870 3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.953 -6.354 4.046 1.00 0.00 H new ATOM 763 N VAL A 53 -10.330 -0.876 2.416 1.00 0.00 N ATOM 764 CA VAL A 53 -10.885 0.007 3.435 1.00 0.00 C ATOM 765 C VAL A 53 -12.400 0.112 3.305 1.00 0.00 C ATOM 766 O VAL A 53 -13.100 0.395 4.278 1.00 0.00 O ATOM 767 CB VAL A 53 -10.274 1.418 3.348 1.00 0.00 C ATOM 768 CG1 VAL A 53 -10.926 2.345 4.363 1.00 0.00 C ATOM 769 CG2 VAL A 53 -8.768 1.360 3.557 1.00 0.00 C ATOM 0 H VAL A 53 -9.972 -0.395 1.591 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.636 -0.430 4.402 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.464 1.817 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.482 3.338 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.995 2.410 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.769 1.953 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.353 2.366 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.553 0.941 4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.318 0.731 2.789 1.00 0.00 H new ATOM 779 N LYS A 54 -12.902 -0.119 2.097 1.00 0.00 N ATOM 780 CA LYS A 54 -14.336 -0.052 1.838 1.00 0.00 C ATOM 781 C LYS A 54 -15.086 -1.095 2.660 1.00 0.00 C ATOM 782 O LYS A 54 -16.166 -0.824 3.185 1.00 0.00 O ATOM 783 CB LYS A 54 -14.616 -0.263 0.349 1.00 0.00 C ATOM 784 CG LYS A 54 -14.135 0.879 -0.529 1.00 0.00 C ATOM 785 CD LYS A 54 -15.268 1.832 -0.875 1.00 0.00 C ATOM 786 CE LYS A 54 -14.965 2.623 -2.138 1.00 0.00 C ATOM 787 NZ LYS A 54 -13.845 3.583 -1.936 1.00 0.00 N ATOM 0 H LYS A 54 -12.337 -0.354 1.281 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.687 0.937 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.136 -1.186 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.688 -0.394 0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.343 1.425 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.703 0.477 -1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.191 1.268 -1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.433 2.519 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.713 1.935 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.857 3.166 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.669 4.103 -2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.096 4.255 -1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.987 3.063 -1.664 1.00 0.00 H new ATOM 801 N GLU A 55 -14.506 -2.286 2.768 1.00 0.00 N ATOM 802 CA GLU A 55 -15.122 -3.368 3.528 1.00 0.00 C ATOM 803 C GLU A 55 -15.137 -3.046 5.019 1.00 0.00 C ATOM 804 O GLU A 55 -15.962 -3.567 5.770 1.00 0.00 O ATOM 805 CB GLU A 55 -14.373 -4.680 3.286 1.00 0.00 C ATOM 806 CG GLU A 55 -12.968 -4.695 3.867 1.00 0.00 C ATOM 807 CD GLU A 55 -12.820 -5.680 5.010 1.00 0.00 C ATOM 808 OE1 GLU A 55 -13.188 -6.860 4.828 1.00 0.00 O ATOM 809 OE2 GLU A 55 -12.337 -5.272 6.087 1.00 0.00 O ATOM 0 H GLU A 55 -13.612 -2.526 2.340 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.152 -3.477 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.945 -5.500 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.315 -4.863 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.256 -4.947 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.714 -3.695 4.219 1.00 0.00 H new ATOM 816 N LYS A 56 -14.219 -2.183 5.442 1.00 0.00 N ATOM 817 CA LYS A 56 -14.126 -1.789 6.842 1.00 0.00 C ATOM 818 C LYS A 56 -15.275 -0.861 7.224 1.00 0.00 C ATOM 819 O LYS A 56 -15.757 -0.890 8.356 1.00 0.00 O ATOM 820 CB LYS A 56 -12.787 -1.097 7.111 1.00 0.00 C ATOM 821 CG LYS A 56 -11.582 -1.924 6.698 1.00 0.00 C ATOM 822 CD LYS A 56 -10.332 -1.504 7.453 1.00 0.00 C ATOM 823 CE LYS A 56 -9.069 -1.892 6.700 1.00 0.00 C ATOM 824 NZ LYS A 56 -8.697 -3.314 6.937 1.00 0.00 N ATOM 0 H LYS A 56 -13.528 -1.743 4.834 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.192 -2.690 7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.765 -0.147 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.713 -0.868 8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.783 -2.979 6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.415 -1.815 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.346 -0.426 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.327 -1.970 8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.218 -1.729 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.248 -1.245 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.831 -3.539 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.530 -3.465 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.470 -3.933 6.618 1.00 0.00 H new ATOM 838 N GLU A 57 -15.709 -0.041 6.272 1.00 0.00 N ATOM 839 CA GLU A 57 -16.802 0.894 6.511 1.00 0.00 C ATOM 840 C GLU A 57 -18.136 0.159 6.609 1.00 0.00 C ATOM 841 O GLU A 57 -19.000 0.525 7.404 1.00 0.00 O ATOM 842 CB GLU A 57 -16.864 1.937 5.392 1.00 0.00 C ATOM 843 CG GLU A 57 -17.346 3.301 5.858 1.00 0.00 C ATOM 844 CD GLU A 57 -18.820 3.523 5.583 1.00 0.00 C ATOM 845 OE1 GLU A 57 -19.537 2.527 5.353 1.00 0.00 O ATOM 846 OE2 GLU A 57 -19.257 4.693 5.598 1.00 0.00 O ATOM 0 H GLU A 57 -15.321 -0.005 5.329 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.614 1.398 7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.873 2.043 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.527 1.576 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.160 3.402 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.766 4.077 5.359 1.00 0.00 H new ATOM 853 N GLU A 58 -18.294 -0.880 5.794 1.00 0.00 N ATOM 854 CA GLU A 58 -19.522 -1.665 5.788 1.00 0.00 C ATOM 855 C GLU A 58 -19.295 -3.035 6.421 1.00 0.00 C ATOM 856 O GLU A 58 -19.197 -4.045 5.723 1.00 0.00 O ATOM 857 CB GLU A 58 -20.041 -1.831 4.359 1.00 0.00 C ATOM 858 CG GLU A 58 -21.516 -2.190 4.284 1.00 0.00 C ATOM 859 CD GLU A 58 -21.897 -2.818 2.957 1.00 0.00 C ATOM 860 OE1 GLU A 58 -21.142 -3.686 2.474 1.00 0.00 O ATOM 861 OE2 GLU A 58 -22.950 -2.440 2.403 1.00 0.00 O ATOM 0 H GLU A 58 -17.587 -1.197 5.130 1.00 0.00 H new ATOM 0 HA GLU A 58 -20.267 -1.131 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.873 -0.904 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -19.461 -2.607 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -21.760 -2.880 5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -22.113 -1.292 4.441 1.00 0.00 H new ATOM 868 N LYS A 59 -19.211 -3.062 7.746 1.00 0.00 N ATOM 869 CA LYS A 59 -18.995 -4.306 8.475 1.00 0.00 C ATOM 870 C LYS A 59 -20.233 -5.196 8.410 1.00 0.00 C ATOM 871 O LYS A 59 -20.158 -6.349 7.984 1.00 0.00 O ATOM 872 CB LYS A 59 -18.642 -4.012 9.935 1.00 0.00 C ATOM 873 CG LYS A 59 -17.247 -3.441 10.120 1.00 0.00 C ATOM 874 CD LYS A 59 -16.920 -3.233 11.589 1.00 0.00 C ATOM 875 CE LYS A 59 -16.381 -4.504 12.226 1.00 0.00 C ATOM 876 NZ LYS A 59 -16.014 -4.296 13.654 1.00 0.00 N ATOM 0 H LYS A 59 -19.289 -2.235 8.338 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.164 -4.833 8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.370 -3.310 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.729 -4.932 10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -16.515 -4.115 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -17.168 -2.491 9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -16.185 -2.435 11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -17.816 -2.910 12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -17.131 -5.292 12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.506 -4.845 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.651 -5.185 14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.280 -3.562 13.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.854 -3.995 14.188 1.00 0.00 H new ATOM 890 N SER A 60 -21.370 -4.653 8.833 1.00 0.00 N ATOM 891 CA SER A 60 -22.623 -5.399 8.824 1.00 0.00 C ATOM 892 C SER A 60 -23.230 -5.425 7.425 1.00 0.00 C ATOM 893 O SER A 60 -23.231 -4.397 6.749 1.00 0.00 O ATOM 894 CB SER A 60 -23.615 -4.782 9.812 1.00 0.00 C ATOM 895 OG SER A 60 -22.953 -4.315 10.974 1.00 0.00 O ATOM 0 H SER A 60 -21.449 -3.699 9.186 1.00 0.00 H new ATOM 0 HA SER A 60 -22.409 -6.424 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 60 -24.143 -3.957 9.334 1.00 0.00 H new ATOM 0 HB3 SER A 60 -24.365 -5.523 10.090 1.00 0.00 H new ATOM 0 HG SER A 60 -23.608 -3.924 11.589 1.00 0.00 H new TER 901 SER A 60 HETATM 902 ZN ZN A 201 3.715 -1.075 -1.907 1.00 0.00 ZN