USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 434 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 10 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0.651 (180deg=0.517) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0563 K(o=-0.056,f=-0.57) USER MOD Single : A 34 LYS NZ :NH3+ -113:sc= 0.169 (180deg=-0.163) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= -0.0405 (180deg=-0.311) USER MOD Single : A 38 SER OG : rot 101:sc= 1.27 USER MOD Single : A 39 SER OG : rot 76:sc= 1.21 USER MOD Single : A 42 SER OG : rot 140:sc= 0.969 USER MOD Single : A 43 SER OG : rot 112:sc= 0.709 USER MOD Single : A 46 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.94) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 2.06 (180deg=1.83) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= 2.24 (180deg=0.102!) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 5.760 11.333 6.104 1.00 0.00 N ATOM 118 CA ARG A 9 6.913 11.260 5.217 1.00 0.00 C ATOM 119 C ARG A 9 7.225 9.817 4.810 1.00 0.00 C ATOM 120 O ARG A 9 7.673 9.569 3.696 1.00 0.00 O ATOM 121 CB ARG A 9 8.143 11.970 5.830 1.00 0.00 C ATOM 122 CG ARG A 9 8.573 11.472 7.209 1.00 0.00 C ATOM 123 CD ARG A 9 9.470 10.246 7.121 1.00 0.00 C ATOM 124 NE ARG A 9 9.936 9.816 8.437 1.00 0.00 N ATOM 125 CZ ARG A 9 10.568 8.668 8.676 1.00 0.00 C ATOM 126 NH1 ARG A 9 10.818 7.819 7.686 1.00 0.00 N ATOM 127 NH2 ARG A 9 10.963 8.373 9.906 1.00 0.00 N ATOM 0 HA ARG A 9 6.657 11.795 4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.983 11.859 5.145 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.928 13.036 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.100 12.269 7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.689 11.232 7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.925 9.431 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.328 10.469 6.487 1.00 0.00 H new ATOM 0 HE ARG A 9 9.766 10.438 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.526 8.044 6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.302 6.942 7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.783 9.025 10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.447 7.494 10.089 1.00 0.00 H new ATOM 141 N GLN A 10 6.956 8.867 5.707 1.00 0.00 N ATOM 142 CA GLN A 10 7.181 7.455 5.412 1.00 0.00 C ATOM 143 C GLN A 10 6.211 6.974 4.341 1.00 0.00 C ATOM 144 O GLN A 10 6.561 6.162 3.504 1.00 0.00 O ATOM 145 CB GLN A 10 7.011 6.597 6.662 1.00 0.00 C ATOM 146 CG GLN A 10 7.262 5.116 6.417 1.00 0.00 C ATOM 147 CD GLN A 10 6.656 4.232 7.483 1.00 0.00 C ATOM 148 OE1 GLN A 10 6.534 4.629 8.646 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.267 3.031 7.094 1.00 0.00 N ATOM 0 H GLN A 10 6.584 9.050 6.639 1.00 0.00 H new ATOM 0 HA GLN A 10 8.205 7.354 5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.695 6.951 7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.000 6.728 7.049 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.852 4.839 5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.336 4.937 6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.388 2.746 6.122 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.846 2.389 7.765 1.00 0.00 H new ATOM 158 N VAL A 11 4.994 7.490 4.379 1.00 0.00 N ATOM 159 CA VAL A 11 3.969 7.104 3.421 1.00 0.00 C ATOM 160 C VAL A 11 4.342 7.568 2.017 1.00 0.00 C ATOM 161 O VAL A 11 4.310 6.786 1.068 1.00 0.00 O ATOM 162 CB VAL A 11 2.582 7.679 3.812 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.547 7.366 2.751 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.133 7.130 5.159 1.00 0.00 C ATOM 0 H VAL A 11 4.690 8.180 5.066 1.00 0.00 H new ATOM 0 HA VAL A 11 3.905 6.016 3.433 1.00 0.00 H new ATOM 0 HB VAL A 11 2.679 8.762 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.584 7.780 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.854 7.807 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.458 6.286 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.158 7.546 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.061 6.044 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.858 7.407 5.925 1.00 0.00 H new ATOM 174 N CYS A 12 4.717 8.829 1.899 1.00 0.00 N ATOM 175 CA CYS A 12 5.094 9.394 0.611 1.00 0.00 C ATOM 176 C CYS A 12 6.390 8.753 0.104 1.00 0.00 C ATOM 177 O CYS A 12 6.522 8.439 -1.085 1.00 0.00 O ATOM 178 CB CYS A 12 5.252 10.911 0.724 1.00 0.00 C ATOM 179 SG CYS A 12 5.300 11.786 -0.872 1.00 0.00 S ATOM 0 H CYS A 12 4.769 9.484 2.679 1.00 0.00 H new ATOM 0 HA CYS A 12 4.303 9.181 -0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.427 11.306 1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.169 11.128 1.271 1.00 0.00 H new ATOM 184 N TRP A 13 7.340 8.547 1.013 1.00 0.00 N ATOM 185 CA TRP A 13 8.598 7.908 0.664 1.00 0.00 C ATOM 186 C TRP A 13 8.356 6.459 0.282 1.00 0.00 C ATOM 187 O TRP A 13 8.917 5.967 -0.691 1.00 0.00 O ATOM 188 CB TRP A 13 9.589 7.989 1.827 1.00 0.00 C ATOM 189 CG TRP A 13 10.895 7.307 1.553 1.00 0.00 C ATOM 190 CD1 TRP A 13 11.307 6.102 2.040 1.00 0.00 C ATOM 191 CD2 TRP A 13 11.955 7.787 0.722 1.00 0.00 C ATOM 192 NE1 TRP A 13 12.560 5.808 1.573 1.00 0.00 N ATOM 193 CE2 TRP A 13 12.982 6.824 0.758 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.137 8.937 -0.047 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.171 6.978 0.056 1.00 0.00 C ATOM 196 CZ3 TRP A 13 13.319 9.087 -0.745 1.00 0.00 C ATOM 197 CH2 TRP A 13 14.321 8.114 -0.690 1.00 0.00 C ATOM 0 H TRP A 13 7.259 8.814 1.994 1.00 0.00 H new ATOM 0 HA TRP A 13 9.028 8.434 -0.188 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.778 9.037 2.060 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.135 7.543 2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 13 10.729 5.471 2.699 1.00 0.00 H new ATOM 0 HE1 TRP A 13 13.093 4.968 1.796 1.00 0.00 H new ATOM 0 HE3 TRP A 13 11.369 9.695 -0.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 14.948 6.229 0.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.472 9.972 -1.344 1.00 0.00 H new ATOM 0 HH2 TRP A 13 15.233 8.263 -1.249 1.00 0.00 H new ATOM 208 N GLY A 14 7.508 5.790 1.053 1.00 0.00 N ATOM 209 CA GLY A 14 7.167 4.413 0.779 1.00 0.00 C ATOM 210 C GLY A 14 6.560 4.257 -0.586 1.00 0.00 C ATOM 211 O GLY A 14 6.859 3.322 -1.289 1.00 0.00 O ATOM 0 H GLY A 14 7.047 6.185 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.061 3.794 0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.467 4.054 1.533 1.00 0.00 H new ATOM 215 N ALA A 15 5.713 5.199 -0.960 1.00 0.00 N ATOM 216 CA ALA A 15 5.086 5.205 -2.272 1.00 0.00 C ATOM 217 C ALA A 15 6.141 5.289 -3.370 1.00 0.00 C ATOM 218 O ALA A 15 6.076 4.587 -4.380 1.00 0.00 O ATOM 219 CB ALA A 15 4.141 6.385 -2.379 1.00 0.00 C ATOM 0 H ALA A 15 5.440 5.981 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 15 4.527 4.277 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.672 6.388 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.372 6.306 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.698 7.311 -2.240 1.00 0.00 H new ATOM 225 N ARG A 16 7.120 6.147 -3.142 1.00 0.00 N ATOM 226 CA ARG A 16 8.202 6.376 -4.093 1.00 0.00 C ATOM 227 C ARG A 16 9.131 5.163 -4.144 1.00 0.00 C ATOM 228 O ARG A 16 9.611 4.773 -5.209 1.00 0.00 O ATOM 229 CB ARG A 16 8.994 7.627 -3.680 1.00 0.00 C ATOM 230 CG ARG A 16 10.038 8.076 -4.694 1.00 0.00 C ATOM 231 CD ARG A 16 10.871 9.235 -4.152 1.00 0.00 C ATOM 232 NE ARG A 16 10.035 10.358 -3.706 1.00 0.00 N ATOM 233 CZ ARG A 16 10.474 11.388 -2.969 1.00 0.00 C ATOM 234 NH1 ARG A 16 11.755 11.469 -2.625 1.00 0.00 N ATOM 235 NH2 ARG A 16 9.629 12.341 -2.595 1.00 0.00 N ATOM 0 H ARG A 16 7.190 6.707 -2.292 1.00 0.00 H new ATOM 0 HA ARG A 16 7.776 6.529 -5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.294 8.445 -3.511 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.490 7.430 -2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.692 7.240 -4.942 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.545 8.380 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.480 8.884 -3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.557 9.580 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 16 9.051 10.353 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.410 10.745 -2.922 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.084 12.255 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.648 12.289 -2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.961 13.126 -2.034 1.00 0.00 H new ATOM 249 N ASP A 17 9.362 4.571 -2.991 1.00 0.00 N ATOM 250 CA ASP A 17 10.230 3.408 -2.874 1.00 0.00 C ATOM 251 C ASP A 17 9.542 2.173 -3.447 1.00 0.00 C ATOM 252 O ASP A 17 10.153 1.382 -4.172 1.00 0.00 O ATOM 253 CB ASP A 17 10.594 3.184 -1.405 1.00 0.00 C ATOM 254 CG ASP A 17 11.765 2.251 -1.229 1.00 0.00 C ATOM 255 OD1 ASP A 17 12.920 2.718 -1.344 1.00 0.00 O ATOM 256 OD2 ASP A 17 11.550 1.060 -0.953 1.00 0.00 O ATOM 0 H ASP A 17 8.956 4.878 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 17 11.143 3.585 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.827 4.143 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.730 2.778 -0.879 1.00 0.00 H new ATOM 261 N GLU A 18 8.259 2.033 -3.138 1.00 0.00 N ATOM 262 CA GLU A 18 7.453 0.924 -3.627 1.00 0.00 C ATOM 263 C GLU A 18 7.213 1.039 -5.127 1.00 0.00 C ATOM 264 O GLU A 18 6.905 0.050 -5.796 1.00 0.00 O ATOM 265 CB GLU A 18 6.120 0.831 -2.865 1.00 0.00 C ATOM 266 CG GLU A 18 6.252 0.226 -1.466 1.00 0.00 C ATOM 267 CD GLU A 18 4.934 -0.295 -0.915 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.461 -1.341 -1.407 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.385 0.319 0.027 1.00 0.00 O ATOM 0 H GLU A 18 7.749 2.685 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 18 8.010 0.005 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.690 1.829 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.420 0.230 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.974 -0.590 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.650 0.980 -0.787 1.00 0.00 H new ATOM 276 N TYR A 19 7.345 2.245 -5.651 1.00 0.00 N ATOM 277 CA TYR A 19 7.212 2.474 -7.080 1.00 0.00 C ATOM 278 C TYR A 19 8.333 1.733 -7.812 1.00 0.00 C ATOM 279 O TYR A 19 8.141 1.194 -8.907 1.00 0.00 O ATOM 280 CB TYR A 19 7.284 3.974 -7.378 1.00 0.00 C ATOM 281 CG TYR A 19 6.786 4.363 -8.749 1.00 0.00 C ATOM 282 CD1 TYR A 19 5.500 4.855 -8.921 1.00 0.00 C ATOM 283 CD2 TYR A 19 7.597 4.246 -9.869 1.00 0.00 C ATOM 284 CE1 TYR A 19 5.039 5.219 -10.166 1.00 0.00 C ATOM 285 CE2 TYR A 19 7.141 4.606 -11.118 1.00 0.00 C ATOM 286 CZ TYR A 19 5.862 5.093 -11.261 1.00 0.00 C ATOM 287 OH TYR A 19 5.405 5.460 -12.506 1.00 0.00 O ATOM 0 H TYR A 19 7.545 3.084 -5.106 1.00 0.00 H new ATOM 0 HA TYR A 19 6.248 2.100 -7.423 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.702 4.509 -6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.318 4.303 -7.274 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.850 4.954 -8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.602 3.866 -9.760 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.036 5.602 -10.283 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.784 4.507 -11.980 1.00 0.00 H new ATOM 0 HH TYR A 19 6.109 5.310 -13.170 1.00 0.00 H new ATOM 297 N TRP A 20 9.495 1.701 -7.179 1.00 0.00 N ATOM 298 CA TRP A 20 10.653 1.011 -7.713 1.00 0.00 C ATOM 299 C TRP A 20 10.540 -0.486 -7.430 1.00 0.00 C ATOM 300 O TRP A 20 10.758 -1.316 -8.311 1.00 0.00 O ATOM 301 CB TRP A 20 11.929 1.592 -7.090 1.00 0.00 C ATOM 302 CG TRP A 20 13.185 0.857 -7.446 1.00 0.00 C ATOM 303 CD1 TRP A 20 13.815 0.835 -8.656 1.00 0.00 C ATOM 304 CD2 TRP A 20 13.977 0.049 -6.567 1.00 0.00 C ATOM 305 NE1 TRP A 20 14.945 0.056 -8.584 1.00 0.00 N ATOM 306 CE2 TRP A 20 15.066 -0.435 -7.311 1.00 0.00 C ATOM 307 CE3 TRP A 20 13.866 -0.311 -5.220 1.00 0.00 C ATOM 308 CZ2 TRP A 20 16.038 -1.258 -6.756 1.00 0.00 C ATOM 309 CZ3 TRP A 20 14.832 -1.129 -4.670 1.00 0.00 C ATOM 310 CH2 TRP A 20 15.904 -1.593 -5.435 1.00 0.00 C ATOM 0 H TRP A 20 9.659 2.154 -6.280 1.00 0.00 H new ATOM 0 HA TRP A 20 10.699 1.152 -8.793 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.030 2.631 -7.403 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.820 1.595 -6.005 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.476 1.354 -9.540 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.589 -0.127 -9.354 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.040 0.044 -4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.868 -1.620 -7.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.758 -1.415 -3.631 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.644 -2.230 -4.974 1.00 0.00 H new ATOM 321 N LYS A 21 10.196 -0.813 -6.201 1.00 0.00 N ATOM 322 CA LYS A 21 10.007 -2.193 -5.793 1.00 0.00 C ATOM 323 C LYS A 21 8.911 -2.233 -4.728 1.00 0.00 C ATOM 324 O LYS A 21 9.102 -1.752 -3.612 1.00 0.00 O ATOM 325 CB LYS A 21 11.332 -2.774 -5.267 1.00 0.00 C ATOM 326 CG LYS A 21 11.456 -4.294 -5.372 1.00 0.00 C ATOM 327 CD LYS A 21 10.542 -5.020 -4.398 1.00 0.00 C ATOM 328 CE LYS A 21 10.927 -4.743 -2.954 1.00 0.00 C ATOM 329 NZ LYS A 21 10.093 -5.521 -2.008 1.00 0.00 N ATOM 0 H LYS A 21 10.040 -0.133 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 21 9.700 -2.806 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.155 -2.318 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.449 -2.486 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.219 -4.605 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.489 -4.585 -5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.511 -4.709 -4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.587 -6.093 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.978 -4.991 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.818 -3.679 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.489 -5.441 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.122 -5.149 -2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.082 -6.520 -2.296 1.00 0.00 H new ATOM 343 N CYS A 22 7.770 -2.796 -5.085 1.00 0.00 N ATOM 344 CA CYS A 22 6.593 -2.784 -4.216 1.00 0.00 C ATOM 345 C CYS A 22 6.710 -3.739 -3.031 1.00 0.00 C ATOM 346 O CYS A 22 7.540 -4.666 -3.020 1.00 0.00 O ATOM 347 CB CYS A 22 5.333 -3.122 -5.023 1.00 0.00 C ATOM 348 SG CYS A 22 5.339 -4.810 -5.730 1.00 0.00 S ATOM 0 H CYS A 22 7.627 -3.272 -5.976 1.00 0.00 H new ATOM 0 HA CYS A 22 6.522 -1.775 -3.810 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.460 -3.011 -4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.227 -2.400 -5.832 1.00 0.00 H new ATOM 353 N LEU A 23 5.878 -3.480 -2.026 1.00 0.00 N ATOM 354 CA LEU A 23 5.755 -4.308 -0.833 1.00 0.00 C ATOM 355 C LEU A 23 7.081 -4.493 -0.105 1.00 0.00 C ATOM 356 O LEU A 23 7.417 -5.592 0.317 1.00 0.00 O ATOM 357 CB LEU A 23 5.128 -5.668 -1.171 1.00 0.00 C ATOM 358 CG LEU A 23 3.948 -6.082 -0.283 1.00 0.00 C ATOM 359 CD1 LEU A 23 4.352 -6.079 1.179 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.750 -5.169 -0.509 1.00 0.00 C ATOM 0 H LEU A 23 5.257 -2.670 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 23 5.092 -3.775 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.792 -5.648 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.901 -6.434 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 23 3.658 -7.096 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.501 -6.375 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.171 -6.781 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.674 -5.078 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.927 -5.484 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.025 -4.142 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.440 -5.227 -1.552 1.00 0.00 H new ATOM 372 N ASP A 24 7.813 -3.415 0.052 1.00 0.00 N ATOM 373 CA ASP A 24 9.076 -3.435 0.797 1.00 0.00 C ATOM 374 C ASP A 24 8.800 -3.545 2.296 1.00 0.00 C ATOM 375 O ASP A 24 9.669 -3.920 3.078 1.00 0.00 O ATOM 376 CB ASP A 24 9.876 -2.162 0.502 1.00 0.00 C ATOM 377 CG ASP A 24 11.118 -2.030 1.363 1.00 0.00 C ATOM 378 OD1 ASP A 24 12.145 -2.649 1.031 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.071 -1.295 2.379 1.00 0.00 O ATOM 0 H ASP A 24 7.564 -2.501 -0.325 1.00 0.00 H new ATOM 0 HA ASP A 24 9.659 -4.301 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.167 -2.157 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.237 -1.293 0.660 1.00 0.00 H new ATOM 384 N GLU A 25 7.572 -3.233 2.663 1.00 0.00 N ATOM 385 CA GLU A 25 7.129 -3.219 4.053 1.00 0.00 C ATOM 386 C GLU A 25 7.358 -4.561 4.755 1.00 0.00 C ATOM 387 O GLU A 25 8.079 -4.636 5.743 1.00 0.00 O ATOM 388 CB GLU A 25 5.646 -2.894 4.090 1.00 0.00 C ATOM 389 CG GLU A 25 5.267 -1.664 3.280 1.00 0.00 C ATOM 390 CD GLU A 25 5.865 -0.387 3.831 1.00 0.00 C ATOM 391 OE1 GLU A 25 7.103 -0.273 3.881 1.00 0.00 O ATOM 392 OE2 GLU A 25 5.089 0.514 4.197 1.00 0.00 O ATOM 0 H GLU A 25 6.841 -2.978 1.999 1.00 0.00 H new ATOM 0 HA GLU A 25 7.716 -2.466 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.086 -3.751 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.342 -2.743 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.597 -1.798 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.181 -1.570 3.258 1.00 0.00 H new ATOM 399 N ASN A 26 6.734 -5.612 4.237 1.00 0.00 N ATOM 400 CA ASN A 26 6.827 -6.942 4.855 1.00 0.00 C ATOM 401 C ASN A 26 7.128 -8.018 3.833 1.00 0.00 C ATOM 402 O ASN A 26 7.672 -9.060 4.170 1.00 0.00 O ATOM 403 CB ASN A 26 5.519 -7.285 5.579 1.00 0.00 C ATOM 404 CG ASN A 26 5.248 -6.370 6.747 1.00 0.00 C ATOM 405 OD1 ASN A 26 5.635 -6.656 7.875 1.00 0.00 O ATOM 406 ND2 ASN A 26 4.580 -5.260 6.486 1.00 0.00 N ATOM 0 H ASN A 26 6.159 -5.577 3.395 1.00 0.00 H new ATOM 0 HA ASN A 26 7.649 -6.909 5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.690 -7.224 4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.562 -8.316 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.368 -4.603 7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.276 -5.060 5.533 1.00 0.00 H new ATOM 413 N LEU A 27 6.764 -7.755 2.577 1.00 0.00 N ATOM 414 CA LEU A 27 6.959 -8.705 1.468 1.00 0.00 C ATOM 415 C LEU A 27 6.158 -10.003 1.675 1.00 0.00 C ATOM 416 O LEU A 27 6.377 -10.988 0.978 1.00 0.00 O ATOM 417 CB LEU A 27 8.456 -9.034 1.255 1.00 0.00 C ATOM 418 CG LEU A 27 9.379 -7.860 0.863 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.739 -7.010 2.074 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.634 -8.384 0.188 1.00 0.00 C ATOM 0 H LEU A 27 6.325 -6.879 2.294 1.00 0.00 H new ATOM 0 HA LEU A 27 6.583 -8.213 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.841 -9.476 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.529 -9.797 0.480 1.00 0.00 H new ATOM 0 HG LEU A 27 8.839 -7.225 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.390 -6.192 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.830 -6.603 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.256 -7.626 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.277 -7.547 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.167 -9.044 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.360 -8.938 -0.710 1.00 0.00 H new ATOM 432 N GLU A 28 5.210 -9.978 2.611 1.00 0.00 N ATOM 433 CA GLU A 28 4.405 -11.159 2.923 1.00 0.00 C ATOM 434 C GLU A 28 3.502 -11.546 1.746 1.00 0.00 C ATOM 435 O GLU A 28 3.332 -12.728 1.438 1.00 0.00 O ATOM 436 CB GLU A 28 3.571 -10.922 4.185 1.00 0.00 C ATOM 437 CG GLU A 28 2.810 -12.149 4.670 1.00 0.00 C ATOM 438 CD GLU A 28 3.730 -13.268 5.115 1.00 0.00 C ATOM 439 OE1 GLU A 28 4.068 -13.317 6.313 1.00 0.00 O ATOM 440 OE2 GLU A 28 4.111 -14.106 4.269 1.00 0.00 O ATOM 0 H GLU A 28 4.980 -9.154 3.166 1.00 0.00 H new ATOM 0 HA GLU A 28 5.087 -11.989 3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.229 -10.578 4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.859 -10.120 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.162 -11.865 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.164 -12.511 3.870 1.00 0.00 H new ATOM 447 N ASP A 29 2.917 -10.554 1.098 1.00 0.00 N ATOM 448 CA ASP A 29 2.074 -10.807 -0.060 1.00 0.00 C ATOM 449 C ASP A 29 2.318 -9.755 -1.121 1.00 0.00 C ATOM 450 O ASP A 29 1.640 -8.736 -1.182 1.00 0.00 O ATOM 451 CB ASP A 29 0.597 -10.840 0.323 1.00 0.00 C ATOM 452 CG ASP A 29 -0.263 -11.464 -0.760 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.663 -12.635 -0.594 1.00 0.00 O ATOM 454 OD2 ASP A 29 -0.532 -10.798 -1.782 1.00 0.00 O ATOM 0 H ASP A 29 3.009 -9.570 1.351 1.00 0.00 H new ATOM 0 HA ASP A 29 2.336 -11.786 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.476 -11.402 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.252 -9.825 0.519 1.00 0.00 H new ATOM 459 N ALA A 30 3.315 -9.987 -1.928 1.00 0.00 N ATOM 460 CA ALA A 30 3.680 -9.062 -2.984 1.00 0.00 C ATOM 461 C ALA A 30 2.629 -9.020 -4.094 1.00 0.00 C ATOM 462 O ALA A 30 2.667 -8.151 -4.955 1.00 0.00 O ATOM 463 CB ALA A 30 5.051 -9.404 -3.548 1.00 0.00 C ATOM 0 H ALA A 30 3.902 -10.820 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 30 3.725 -8.066 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.306 -8.698 -4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.796 -9.344 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.035 -10.415 -3.955 1.00 0.00 H new ATOM 469 N SER A 31 1.701 -9.955 -4.074 1.00 0.00 N ATOM 470 CA SER A 31 0.669 -10.018 -5.089 1.00 0.00 C ATOM 471 C SER A 31 -0.288 -8.824 -4.972 1.00 0.00 C ATOM 472 O SER A 31 -0.721 -8.260 -5.985 1.00 0.00 O ATOM 473 CB SER A 31 -0.098 -11.336 -4.982 1.00 0.00 C ATOM 474 OG SER A 31 -0.996 -11.499 -6.067 1.00 0.00 O ATOM 0 H SER A 31 1.640 -10.684 -3.363 1.00 0.00 H new ATOM 0 HA SER A 31 1.146 -9.971 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.606 -12.168 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.650 -11.363 -4.043 1.00 0.00 H new ATOM 0 HG SER A 31 -1.471 -12.351 -5.973 1.00 0.00 H new ATOM 480 N GLN A 32 -0.585 -8.420 -3.741 1.00 0.00 N ATOM 481 CA GLN A 32 -1.506 -7.310 -3.495 1.00 0.00 C ATOM 482 C GLN A 32 -0.789 -5.969 -3.590 1.00 0.00 C ATOM 483 O GLN A 32 -1.410 -4.906 -3.448 1.00 0.00 O ATOM 484 CB GLN A 32 -2.162 -7.446 -2.116 1.00 0.00 C ATOM 485 CG GLN A 32 -3.021 -8.690 -1.954 1.00 0.00 C ATOM 486 CD GLN A 32 -4.218 -8.711 -2.889 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.759 -7.667 -3.258 1.00 0.00 O ATOM 488 NE2 GLN A 32 -4.639 -9.899 -3.274 1.00 0.00 N ATOM 0 H GLN A 32 -0.202 -8.844 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.278 -7.348 -4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.382 -7.455 -1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.778 -6.566 -1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.409 -9.573 -2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.371 -8.752 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.163 -10.740 -2.946 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.440 -9.978 -3.900 1.00 0.00 H new ATOM 497 N CYS A 33 0.514 -6.012 -3.856 1.00 0.00 N ATOM 498 CA CYS A 33 1.311 -4.796 -3.929 1.00 0.00 C ATOM 499 C CYS A 33 0.870 -3.934 -5.101 1.00 0.00 C ATOM 500 O CYS A 33 1.093 -2.730 -5.108 1.00 0.00 O ATOM 501 CB CYS A 33 2.801 -5.116 -4.058 1.00 0.00 C ATOM 502 SG CYS A 33 3.380 -5.353 -5.778 1.00 0.00 S ATOM 0 H CYS A 33 1.036 -6.872 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 33 1.154 -4.246 -3.001 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.374 -4.308 -3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.016 -6.020 -3.488 1.00 0.00 H new ATOM 507 N LYS A 34 0.233 -4.567 -6.087 1.00 0.00 N ATOM 508 CA LYS A 34 -0.240 -3.871 -7.273 1.00 0.00 C ATOM 509 C LYS A 34 -1.156 -2.721 -6.885 1.00 0.00 C ATOM 510 O LYS A 34 -0.907 -1.571 -7.239 1.00 0.00 O ATOM 511 CB LYS A 34 -0.982 -4.839 -8.200 1.00 0.00 C ATOM 512 CG LYS A 34 -0.145 -6.023 -8.660 1.00 0.00 C ATOM 513 CD LYS A 34 -0.936 -6.920 -9.598 1.00 0.00 C ATOM 514 CE LYS A 34 -0.119 -8.122 -10.050 1.00 0.00 C ATOM 515 NZ LYS A 34 0.235 -9.012 -8.917 1.00 0.00 N ATOM 0 H LYS A 34 0.034 -5.567 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 34 0.624 -3.469 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.867 -5.212 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.330 -4.292 -9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.752 -5.664 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.185 -6.597 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.841 -7.263 -9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.252 -6.347 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.685 -8.687 -10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.792 -7.778 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.263 -8.986 -8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.252 -8.690 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.057 -9.986 -9.136 1.00 0.00 H new ATOM 529 N LYS A 35 -2.198 -3.032 -6.132 1.00 0.00 N ATOM 530 CA LYS A 35 -3.148 -2.024 -5.705 1.00 0.00 C ATOM 531 C LYS A 35 -2.578 -1.140 -4.611 1.00 0.00 C ATOM 532 O LYS A 35 -2.760 0.072 -4.646 1.00 0.00 O ATOM 533 CB LYS A 35 -4.458 -2.659 -5.248 1.00 0.00 C ATOM 534 CG LYS A 35 -5.371 -3.079 -6.390 1.00 0.00 C ATOM 535 CD LYS A 35 -5.744 -1.884 -7.262 1.00 0.00 C ATOM 536 CE LYS A 35 -6.912 -2.200 -8.180 1.00 0.00 C ATOM 537 NZ LYS A 35 -8.175 -2.412 -7.423 1.00 0.00 N ATOM 0 H LYS A 35 -2.406 -3.976 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.354 -1.393 -6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.233 -3.532 -4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.990 -1.952 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.874 -3.836 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.275 -3.536 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.000 -1.036 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.882 -1.586 -7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.047 -1.383 -8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.684 -3.093 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.986 -2.305 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.179 -3.369 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.243 -1.711 -6.658 1.00 0.00 H new ATOM 551 N LEU A 36 -1.882 -1.742 -3.651 1.00 0.00 N ATOM 552 CA LEU A 36 -1.289 -0.983 -2.546 1.00 0.00 C ATOM 553 C LEU A 36 -0.353 0.114 -3.071 1.00 0.00 C ATOM 554 O LEU A 36 -0.494 1.286 -2.722 1.00 0.00 O ATOM 555 CB LEU A 36 -0.533 -1.922 -1.596 1.00 0.00 C ATOM 556 CG LEU A 36 -1.396 -2.931 -0.827 1.00 0.00 C ATOM 557 CD1 LEU A 36 -0.525 -3.910 -0.071 1.00 0.00 C ATOM 558 CD2 LEU A 36 -2.321 -2.219 0.132 1.00 0.00 C ATOM 0 H LEU A 36 -1.713 -2.747 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.097 -0.503 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.208 -2.473 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.013 -1.315 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.997 -3.482 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.156 -4.617 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.109 -4.451 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.100 -3.368 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.924 -2.952 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.732 -1.643 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.975 -1.548 -0.424 1.00 0.00 H new ATOM 570 N ARG A 37 0.577 -0.269 -3.938 1.00 0.00 N ATOM 571 CA ARG A 37 1.523 0.682 -4.504 1.00 0.00 C ATOM 572 C ARG A 37 0.800 1.728 -5.359 1.00 0.00 C ATOM 573 O ARG A 37 1.126 2.916 -5.307 1.00 0.00 O ATOM 574 CB ARG A 37 2.601 -0.060 -5.315 1.00 0.00 C ATOM 575 CG ARG A 37 3.691 0.831 -5.889 1.00 0.00 C ATOM 576 CD ARG A 37 3.408 1.205 -7.339 1.00 0.00 C ATOM 577 NE ARG A 37 3.478 0.037 -8.225 1.00 0.00 N ATOM 578 CZ ARG A 37 2.934 -0.025 -9.448 1.00 0.00 C ATOM 579 NH1 ARG A 37 2.269 1.009 -9.943 1.00 0.00 N ATOM 580 NH2 ARG A 37 3.064 -1.131 -10.175 1.00 0.00 N ATOM 0 H ARG A 37 0.695 -1.229 -4.263 1.00 0.00 H new ATOM 0 HA ARG A 37 2.016 1.212 -3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.064 -0.811 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.118 -0.593 -6.134 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.774 1.737 -5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.651 0.318 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.419 1.658 -7.412 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.127 1.955 -7.668 1.00 0.00 H new ATOM 0 HE ARG A 37 3.976 -0.786 -7.886 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.168 1.861 -9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.858 0.952 -10.875 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.577 -1.930 -9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.651 -1.181 -11.106 1.00 0.00 H new ATOM 594 N SER A 38 -0.195 1.284 -6.127 1.00 0.00 N ATOM 595 CA SER A 38 -0.990 2.192 -6.966 1.00 0.00 C ATOM 596 C SER A 38 -1.757 3.215 -6.116 1.00 0.00 C ATOM 597 O SER A 38 -1.996 4.347 -6.545 1.00 0.00 O ATOM 598 CB SER A 38 -1.973 1.402 -7.833 1.00 0.00 C ATOM 599 OG SER A 38 -1.291 0.558 -8.749 1.00 0.00 O ATOM 0 H SER A 38 -0.472 0.304 -6.188 1.00 0.00 H new ATOM 0 HA SER A 38 -0.296 2.732 -7.610 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.622 0.801 -7.196 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.615 2.093 -8.380 1.00 0.00 H new ATOM 0 HG SER A 38 -1.288 -0.361 -8.408 1.00 0.00 H new ATOM 605 N SER A 39 -2.139 2.811 -4.916 1.00 0.00 N ATOM 606 CA SER A 39 -2.869 3.685 -4.017 1.00 0.00 C ATOM 607 C SER A 39 -1.925 4.704 -3.381 1.00 0.00 C ATOM 608 O SER A 39 -2.298 5.851 -3.139 1.00 0.00 O ATOM 609 CB SER A 39 -3.563 2.855 -2.937 1.00 0.00 C ATOM 610 OG SER A 39 -4.393 1.853 -3.518 1.00 0.00 O ATOM 0 H SER A 39 -1.954 1.880 -4.542 1.00 0.00 H new ATOM 0 HA SER A 39 -3.624 4.227 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.815 2.387 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.163 3.507 -2.302 1.00 0.00 H new ATOM 0 HG SER A 39 -3.836 1.118 -3.850 1.00 0.00 H new ATOM 616 N PHE A 40 -0.699 4.279 -3.140 1.00 0.00 N ATOM 617 CA PHE A 40 0.307 5.124 -2.539 1.00 0.00 C ATOM 618 C PHE A 40 0.827 6.183 -3.511 1.00 0.00 C ATOM 619 O PHE A 40 0.946 7.353 -3.158 1.00 0.00 O ATOM 620 CB PHE A 40 1.447 4.267 -2.002 1.00 0.00 C ATOM 621 CG PHE A 40 1.280 3.906 -0.560 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.239 3.092 -0.151 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.157 4.397 0.392 1.00 0.00 C ATOM 624 CE1 PHE A 40 0.074 2.778 1.180 1.00 0.00 C ATOM 625 CE2 PHE A 40 1.999 4.081 1.725 1.00 0.00 C ATOM 626 CZ PHE A 40 0.956 3.274 2.119 1.00 0.00 C ATOM 0 H PHE A 40 -0.375 3.336 -3.357 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.157 5.661 -1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.517 3.354 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.388 4.803 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.451 2.699 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.974 5.034 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.744 2.145 1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.692 4.466 2.458 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.828 3.029 3.163 1.00 0.00 H new ATOM 636 N GLU A 41 1.110 5.782 -4.736 1.00 0.00 N ATOM 637 CA GLU A 41 1.634 6.711 -5.743 1.00 0.00 C ATOM 638 C GLU A 41 0.565 7.702 -6.205 1.00 0.00 C ATOM 639 O GLU A 41 0.850 8.619 -6.981 1.00 0.00 O ATOM 640 CB GLU A 41 2.159 5.949 -6.952 1.00 0.00 C ATOM 641 CG GLU A 41 1.080 5.191 -7.701 1.00 0.00 C ATOM 642 CD GLU A 41 1.578 4.564 -8.974 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.878 3.365 -8.967 1.00 0.00 O ATOM 644 OE2 GLU A 41 1.659 5.271 -9.999 1.00 0.00 O ATOM 0 H GLU A 41 0.989 4.824 -5.066 1.00 0.00 H new ATOM 0 HA GLU A 41 2.447 7.266 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.640 6.651 -7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.926 5.247 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.674 4.413 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.261 5.871 -7.934 1.00 0.00 H new ATOM 651 N SER A 42 -0.655 7.521 -5.711 1.00 0.00 N ATOM 652 CA SER A 42 -1.791 8.322 -6.132 1.00 0.00 C ATOM 653 C SER A 42 -1.558 9.811 -5.869 1.00 0.00 C ATOM 654 O SER A 42 -1.992 10.662 -6.650 1.00 0.00 O ATOM 655 CB SER A 42 -3.069 7.839 -5.435 1.00 0.00 C ATOM 656 OG SER A 42 -4.229 8.422 -6.010 1.00 0.00 O ATOM 0 H SER A 42 -0.881 6.816 -5.009 1.00 0.00 H new ATOM 0 HA SER A 42 -1.910 8.197 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.134 6.753 -5.504 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.023 8.088 -4.375 1.00 0.00 H new ATOM 0 HG SER A 42 -4.939 7.749 -6.067 1.00 0.00 H new ATOM 662 N SER A 43 -0.882 10.132 -4.772 1.00 0.00 N ATOM 663 CA SER A 43 -0.586 11.523 -4.467 1.00 0.00 C ATOM 664 C SER A 43 0.722 11.667 -3.680 1.00 0.00 C ATOM 665 O SER A 43 1.786 11.861 -4.277 1.00 0.00 O ATOM 666 CB SER A 43 -1.750 12.175 -3.705 1.00 0.00 C ATOM 667 OG SER A 43 -2.951 12.116 -4.458 1.00 0.00 O ATOM 0 H SER A 43 -0.534 9.459 -4.090 1.00 0.00 H new ATOM 0 HA SER A 43 -0.458 12.043 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.891 11.670 -2.749 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.507 13.214 -3.483 1.00 0.00 H new ATOM 0 HG SER A 43 -3.584 11.512 -4.017 1.00 0.00 H new ATOM 673 N CYS A 44 0.634 11.511 -2.348 1.00 0.00 N ATOM 674 CA CYS A 44 1.778 11.672 -1.428 1.00 0.00 C ATOM 675 C CYS A 44 1.290 11.733 0.045 1.00 0.00 C ATOM 676 O CYS A 44 1.808 11.009 0.894 1.00 0.00 O ATOM 677 CB CYS A 44 2.612 12.932 -1.769 1.00 0.00 C ATOM 678 SG CYS A 44 3.977 13.303 -0.608 1.00 0.00 S ATOM 0 H CYS A 44 -0.236 11.268 -1.875 1.00 0.00 H new ATOM 0 HA CYS A 44 2.422 10.802 -1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.030 12.812 -2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.943 13.792 -1.804 1.00 0.00 H new ATOM 683 N PRO A 45 0.282 12.612 0.376 1.00 0.00 N ATOM 684 CA PRO A 45 -0.278 12.685 1.737 1.00 0.00 C ATOM 685 C PRO A 45 -0.971 11.383 2.134 1.00 0.00 C ATOM 686 O PRO A 45 -1.612 10.729 1.302 1.00 0.00 O ATOM 687 CB PRO A 45 -1.305 13.829 1.654 1.00 0.00 C ATOM 688 CG PRO A 45 -1.615 13.959 0.204 1.00 0.00 C ATOM 689 CD PRO A 45 -0.349 13.611 -0.516 1.00 0.00 C ATOM 0 HA PRO A 45 0.496 12.851 2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.201 13.599 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.897 14.756 2.056 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.426 13.290 -0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.937 14.972 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.548 13.199 -1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.288 14.484 -0.657 1.00 0.00 H new ATOM 697 N GLN A 46 -0.873 11.032 3.408 1.00 0.00 N ATOM 698 CA GLN A 46 -1.428 9.782 3.905 1.00 0.00 C ATOM 699 C GLN A 46 -2.936 9.831 3.917 1.00 0.00 C ATOM 700 O GLN A 46 -3.596 8.802 3.810 1.00 0.00 O ATOM 701 CB GLN A 46 -0.903 9.474 5.305 1.00 0.00 C ATOM 702 CG GLN A 46 -1.379 8.146 5.857 1.00 0.00 C ATOM 703 CD GLN A 46 -0.766 7.808 7.200 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.426 8.690 7.982 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.623 6.525 7.475 1.00 0.00 N ATOM 0 H GLN A 46 -0.412 11.599 4.119 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.111 8.986 3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.187 9.479 5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.212 10.270 5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.464 8.168 5.955 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.139 7.356 5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.919 5.822 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.217 6.236 8.365 1.00 0.00 H new ATOM 714 N GLN A 47 -3.472 11.029 4.043 1.00 0.00 N ATOM 715 CA GLN A 47 -4.908 11.236 4.050 1.00 0.00 C ATOM 716 C GLN A 47 -5.541 10.611 2.809 1.00 0.00 C ATOM 717 O GLN A 47 -6.375 9.713 2.912 1.00 0.00 O ATOM 718 CB GLN A 47 -5.211 12.726 4.103 1.00 0.00 C ATOM 719 CG GLN A 47 -4.587 13.432 5.295 1.00 0.00 C ATOM 720 CD GLN A 47 -4.771 14.932 5.241 1.00 0.00 C ATOM 721 OE1 GLN A 47 -5.749 15.430 4.695 1.00 0.00 O ATOM 722 NE2 GLN A 47 -3.832 15.660 5.801 1.00 0.00 N ATOM 0 H GLN A 47 -2.926 11.885 4.143 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.331 10.755 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.853 13.194 3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.291 12.868 4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.030 13.048 6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.522 13.201 5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.033 15.208 6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.902 16.678 5.791 1.00 0.00 H new ATOM 731 N TRP A 48 -5.115 11.074 1.641 1.00 0.00 N ATOM 732 CA TRP A 48 -5.623 10.555 0.377 1.00 0.00 C ATOM 733 C TRP A 48 -5.138 9.127 0.138 1.00 0.00 C ATOM 734 O TRP A 48 -5.921 8.251 -0.243 1.00 0.00 O ATOM 735 CB TRP A 48 -5.186 11.459 -0.784 1.00 0.00 C ATOM 736 CG TRP A 48 -5.605 10.953 -2.137 1.00 0.00 C ATOM 737 CD1 TRP A 48 -4.950 10.034 -2.905 1.00 0.00 C ATOM 738 CD2 TRP A 48 -6.769 11.335 -2.880 1.00 0.00 C ATOM 739 NE1 TRP A 48 -5.632 9.822 -4.071 1.00 0.00 N ATOM 740 CE2 TRP A 48 -6.750 10.607 -4.085 1.00 0.00 C ATOM 741 CE3 TRP A 48 -7.824 12.218 -2.647 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -7.740 10.735 -5.050 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -8.808 12.345 -3.609 1.00 0.00 C ATOM 744 CH2 TRP A 48 -8.759 11.605 -4.796 1.00 0.00 C ATOM 0 H TRP A 48 -4.416 11.811 1.542 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.712 10.544 0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.603 12.455 -0.634 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.101 11.561 -0.764 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.027 9.545 -2.631 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.351 9.180 -4.812 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.871 12.791 -1.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.704 10.167 -5.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.629 13.027 -3.442 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.545 11.726 -5.527 1.00 0.00 H new ATOM 755 N ILE A 49 -3.844 8.898 0.363 1.00 0.00 N ATOM 756 CA ILE A 49 -3.245 7.587 0.147 1.00 0.00 C ATOM 757 C ILE A 49 -3.965 6.509 0.920 1.00 0.00 C ATOM 758 O ILE A 49 -4.493 5.579 0.335 1.00 0.00 O ATOM 759 CB ILE A 49 -1.742 7.576 0.504 1.00 0.00 C ATOM 760 CG1 ILE A 49 -0.948 8.300 -0.589 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.227 6.145 0.708 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.529 8.401 -0.308 1.00 0.00 C ATOM 0 H ILE A 49 -3.191 9.608 0.696 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.346 7.374 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.603 8.103 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.093 7.778 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.353 9.304 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.166 6.172 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.779 5.672 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.369 5.573 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.020 8.926 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.686 8.950 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.951 7.400 -0.214 1.00 0.00 H new ATOM 774 N LYS A 50 -4.019 6.653 2.232 1.00 0.00 N ATOM 775 CA LYS A 50 -4.651 5.657 3.058 1.00 0.00 C ATOM 776 C LYS A 50 -6.149 5.604 2.832 1.00 0.00 C ATOM 777 O LYS A 50 -6.773 4.592 3.100 1.00 0.00 O ATOM 778 CB LYS A 50 -4.302 5.824 4.538 1.00 0.00 C ATOM 779 CG LYS A 50 -2.910 5.312 4.902 1.00 0.00 C ATOM 780 CD LYS A 50 -2.681 3.864 4.461 1.00 0.00 C ATOM 781 CE LYS A 50 -3.728 2.914 5.029 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.465 1.516 4.623 1.00 0.00 N ATOM 0 H LYS A 50 -3.633 7.448 2.740 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.247 4.693 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.372 6.879 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.042 5.296 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.159 5.952 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.770 5.386 5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.698 3.811 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.690 3.542 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.733 2.984 6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.718 3.214 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.087 0.876 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.650 1.409 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.472 1.278 4.821 1.00 0.00 H new ATOM 796 N TYR A 51 -6.729 6.698 2.350 1.00 0.00 N ATOM 797 CA TYR A 51 -8.147 6.704 2.019 1.00 0.00 C ATOM 798 C TYR A 51 -8.427 5.707 0.890 1.00 0.00 C ATOM 799 O TYR A 51 -9.293 4.841 1.014 1.00 0.00 O ATOM 800 CB TYR A 51 -8.601 8.112 1.602 1.00 0.00 C ATOM 801 CG TYR A 51 -10.036 8.186 1.122 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.090 8.151 2.021 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.335 8.292 -0.234 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.400 8.218 1.589 1.00 0.00 C ATOM 805 CE2 TYR A 51 -11.643 8.359 -0.674 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.670 8.322 0.242 1.00 0.00 C ATOM 807 OH TYR A 51 -13.976 8.391 -0.189 1.00 0.00 O ATOM 0 H TYR A 51 -6.246 7.580 2.182 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.709 6.408 2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.478 8.787 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.946 8.473 0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.883 8.070 3.078 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.531 8.322 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.209 8.189 2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.858 8.440 -1.729 1.00 0.00 H new ATOM 0 HH TYR A 51 -13.995 8.462 -1.166 1.00 0.00 H new ATOM 817 N PHE A 52 -7.672 5.821 -0.195 1.00 0.00 N ATOM 818 CA PHE A 52 -7.847 4.934 -1.338 1.00 0.00 C ATOM 819 C PHE A 52 -7.276 3.545 -1.037 1.00 0.00 C ATOM 820 O PHE A 52 -7.918 2.524 -1.309 1.00 0.00 O ATOM 821 CB PHE A 52 -7.187 5.534 -2.587 1.00 0.00 C ATOM 822 CG PHE A 52 -7.553 4.831 -3.870 1.00 0.00 C ATOM 823 CD1 PHE A 52 -6.698 3.903 -4.440 1.00 0.00 C ATOM 824 CD2 PHE A 52 -8.756 5.102 -4.502 1.00 0.00 C ATOM 825 CE1 PHE A 52 -7.034 3.257 -5.615 1.00 0.00 C ATOM 826 CE2 PHE A 52 -9.099 4.459 -5.677 1.00 0.00 C ATOM 827 CZ PHE A 52 -8.237 3.537 -6.235 1.00 0.00 C ATOM 0 H PHE A 52 -6.935 6.517 -0.308 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.914 4.827 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.470 6.584 -2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.104 5.504 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.756 3.681 -3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.434 5.824 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.358 2.535 -6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.041 4.678 -6.158 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.502 3.035 -7.154 1.00 0.00 H new ATOM 837 N ASP A 53 -6.083 3.527 -0.453 1.00 0.00 N ATOM 838 CA ASP A 53 -5.365 2.284 -0.105 1.00 0.00 C ATOM 839 C ASP A 53 -6.187 1.411 0.833 1.00 0.00 C ATOM 840 O ASP A 53 -6.128 0.197 0.768 1.00 0.00 O ATOM 841 CB ASP A 53 -4.021 2.634 0.547 1.00 0.00 C ATOM 842 CG ASP A 53 -3.193 1.425 0.922 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.180 1.062 2.120 1.00 0.00 O ATOM 844 OD2 ASP A 53 -2.535 0.861 0.039 1.00 0.00 O ATOM 0 H ASP A 53 -5.575 4.375 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.194 1.719 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.447 3.258 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.205 3.229 1.442 1.00 0.00 H new ATOM 849 N LYS A 54 -6.989 2.059 1.669 1.00 0.00 N ATOM 850 CA LYS A 54 -7.830 1.389 2.666 1.00 0.00 C ATOM 851 C LYS A 54 -8.680 0.260 2.059 1.00 0.00 C ATOM 852 O LYS A 54 -8.995 -0.720 2.734 1.00 0.00 O ATOM 853 CB LYS A 54 -8.743 2.425 3.328 1.00 0.00 C ATOM 854 CG LYS A 54 -9.657 1.870 4.397 1.00 0.00 C ATOM 855 CD LYS A 54 -10.536 2.954 5.005 1.00 0.00 C ATOM 856 CE LYS A 54 -9.706 4.040 5.672 1.00 0.00 C ATOM 857 NZ LYS A 54 -10.549 4.988 6.438 1.00 0.00 N ATOM 0 H LYS A 54 -7.078 3.075 1.678 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.170 0.931 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.124 3.206 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.352 2.897 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.286 1.089 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.060 1.404 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.158 3.397 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.209 2.509 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.977 3.581 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.144 4.585 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.946 5.712 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.228 5.445 5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.066 4.473 7.179 1.00 0.00 H new ATOM 871 N ARG A 55 -9.035 0.397 0.794 1.00 0.00 N ATOM 872 CA ARG A 55 -9.877 -0.591 0.132 1.00 0.00 C ATOM 873 C ARG A 55 -9.136 -1.918 -0.081 1.00 0.00 C ATOM 874 O ARG A 55 -9.664 -2.992 0.221 1.00 0.00 O ATOM 875 CB ARG A 55 -10.419 -0.049 -1.203 1.00 0.00 C ATOM 876 CG ARG A 55 -11.609 0.914 -1.069 1.00 0.00 C ATOM 877 CD ARG A 55 -11.252 2.172 -0.280 1.00 0.00 C ATOM 878 NE ARG A 55 -12.394 3.091 -0.152 1.00 0.00 N ATOM 879 CZ ARG A 55 -12.611 3.893 0.903 1.00 0.00 C ATOM 880 NH1 ARG A 55 -11.778 3.883 1.932 1.00 0.00 N ATOM 881 NH2 ARG A 55 -13.658 4.703 0.922 1.00 0.00 N ATOM 0 H ARG A 55 -8.756 1.180 0.203 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.723 -0.789 0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.612 0.463 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.719 -0.891 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.957 1.198 -2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.435 0.401 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.903 1.889 0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.427 2.686 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.067 3.121 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.967 3.264 1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.947 4.494 2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.304 4.720 0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.818 5.310 1.726 1.00 0.00 H new ATOM 895 N ARG A 56 -7.918 -1.844 -0.594 1.00 0.00 N ATOM 896 CA ARG A 56 -7.128 -3.043 -0.852 1.00 0.00 C ATOM 897 C ARG A 56 -6.008 -3.220 0.156 1.00 0.00 C ATOM 898 O ARG A 56 -5.088 -4.011 -0.066 1.00 0.00 O ATOM 899 CB ARG A 56 -6.568 -3.025 -2.271 1.00 0.00 C ATOM 900 CG ARG A 56 -7.593 -3.363 -3.346 1.00 0.00 C ATOM 901 CD ARG A 56 -7.961 -4.846 -3.332 1.00 0.00 C ATOM 902 NE ARG A 56 -8.683 -5.237 -2.116 1.00 0.00 N ATOM 903 CZ ARG A 56 -8.579 -6.436 -1.527 1.00 0.00 C ATOM 904 NH1 ARG A 56 -7.768 -7.363 -2.031 1.00 0.00 N ATOM 905 NH2 ARG A 56 -9.279 -6.699 -0.426 1.00 0.00 N ATOM 0 H ARG A 56 -7.454 -0.970 -0.840 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.799 -3.896 -0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.155 -2.037 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.743 -3.735 -2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.491 -2.764 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.195 -3.096 -4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.575 -5.072 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.053 -5.443 -3.419 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.306 -4.550 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.222 -7.162 -2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.692 -8.274 -1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.894 -5.988 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.200 -7.612 0.023 1.00 0.00 H new ATOM 919 N ASP A 57 -6.095 -2.493 1.263 1.00 0.00 N ATOM 920 CA ASP A 57 -5.083 -2.558 2.317 1.00 0.00 C ATOM 921 C ASP A 57 -4.935 -3.979 2.829 1.00 0.00 C ATOM 922 O ASP A 57 -5.842 -4.520 3.480 1.00 0.00 O ATOM 923 CB ASP A 57 -5.437 -1.619 3.472 1.00 0.00 C ATOM 924 CG ASP A 57 -4.344 -1.535 4.531 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.479 -0.700 5.462 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.344 -2.282 4.438 1.00 0.00 O ATOM 0 H ASP A 57 -6.860 -1.847 1.457 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.133 -2.238 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.628 -0.622 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.361 -1.959 3.939 1.00 0.00 H new ATOM 931 N TYR A 58 -3.824 -4.595 2.483 1.00 0.00 N ATOM 932 CA TYR A 58 -3.543 -5.944 2.901 1.00 0.00 C ATOM 933 C TYR A 58 -2.286 -5.994 3.769 1.00 0.00 C ATOM 934 O TYR A 58 -2.332 -6.343 4.942 1.00 0.00 O ATOM 935 CB TYR A 58 -3.357 -6.820 1.667 1.00 0.00 C ATOM 936 CG TYR A 58 -3.452 -8.309 1.933 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.543 -9.040 1.488 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.453 -8.979 2.622 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.633 -10.397 1.721 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.533 -10.332 2.862 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.625 -11.040 2.408 1.00 0.00 C ATOM 942 OH TYR A 58 -3.711 -12.392 2.641 1.00 0.00 O ATOM 0 H TYR A 58 -3.096 -4.173 1.907 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.380 -6.312 3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.109 -6.547 0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.384 -6.604 1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.335 -8.539 0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.595 -8.428 2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.489 -10.953 1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.745 -10.836 3.403 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.919 -12.690 3.136 1.00 0.00 H new ATOM 952 N LEU A 59 -1.162 -5.653 3.169 1.00 0.00 N ATOM 953 CA LEU A 59 0.119 -5.701 3.854 1.00 0.00 C ATOM 954 C LEU A 59 0.360 -4.482 4.724 1.00 0.00 C ATOM 955 O LEU A 59 1.064 -4.561 5.727 1.00 0.00 O ATOM 956 CB LEU A 59 1.268 -5.862 2.866 1.00 0.00 C ATOM 957 CG LEU A 59 1.364 -7.208 2.128 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.271 -8.370 3.095 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.320 -7.317 1.031 1.00 0.00 C ATOM 0 H LEU A 59 -1.109 -5.337 2.201 1.00 0.00 H new ATOM 0 HA LEU A 59 0.081 -6.574 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.189 -5.071 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.203 -5.701 3.403 1.00 0.00 H new ATOM 0 HG LEU A 59 2.343 -7.252 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.342 -9.308 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.086 -8.310 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.318 -8.330 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.417 -8.281 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.676 -7.233 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.468 -6.516 0.307 1.00 0.00 H new ATOM 971 N LYS A 60 -0.200 -3.363 4.328 1.00 0.00 N ATOM 972 CA LYS A 60 0.014 -2.117 5.042 1.00 0.00 C ATOM 973 C LYS A 60 -0.588 -2.188 6.461 1.00 0.00 C ATOM 974 O LYS A 60 0.052 -1.793 7.429 1.00 0.00 O ATOM 975 CB LYS A 60 -0.572 -0.941 4.235 1.00 0.00 C ATOM 976 CG LYS A 60 0.035 0.430 4.553 1.00 0.00 C ATOM 977 CD LYS A 60 1.531 0.495 4.222 1.00 0.00 C ATOM 978 CE LYS A 60 1.816 0.178 2.749 1.00 0.00 C ATOM 979 NZ LYS A 60 3.152 0.692 2.323 1.00 0.00 N ATOM 0 H LYS A 60 -0.809 -3.285 3.514 1.00 0.00 H new ATOM 0 HA LYS A 60 1.086 -1.952 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.435 -1.145 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.646 -0.896 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.493 1.199 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.111 0.653 5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.910 1.490 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.072 -0.210 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.774 -0.900 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.040 0.620 2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.529 0.091 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.054 1.668 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.805 0.675 3.133 1.00 0.00 H new ATOM 993 N PHE A 61 -1.807 -2.713 6.572 1.00 0.00 N ATOM 994 CA PHE A 61 -2.475 -2.858 7.872 1.00 0.00 C ATOM 995 C PHE A 61 -2.031 -4.132 8.586 1.00 0.00 C ATOM 996 O PHE A 61 -2.287 -4.303 9.775 1.00 0.00 O ATOM 997 CB PHE A 61 -4.009 -2.862 7.711 1.00 0.00 C ATOM 998 CG PHE A 61 -4.631 -4.235 7.549 1.00 0.00 C ATOM 999 CD1 PHE A 61 -5.249 -4.854 8.628 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.594 -4.908 6.334 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -5.813 -6.104 8.499 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -5.164 -6.163 6.206 1.00 0.00 C ATOM 1003 CZ PHE A 61 -5.771 -6.758 7.290 1.00 0.00 C ATOM 0 H PHE A 61 -2.356 -3.046 5.779 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.186 -2.000 8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.452 -2.379 8.582 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.270 -2.256 6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.288 -4.348 9.581 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.116 -4.448 5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.289 -6.571 9.349 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.133 -6.676 5.256 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.214 -7.738 7.190 1.00 0.00 H new