USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=12 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= -0.655 K(o=-0.65,f=-1.8) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= 1.17 (180deg=0.894) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 113:sc= 0.726 USER MOD Single : A 32 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.35) USER MOD Single : A 34 LYS NZ :NH3+ -129:sc= 1.43 (180deg=0.394) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 140:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0609 USER MOD Single : A 46 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.6) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= 1.53 (180deg=0.394) USER MOD Single : A 51 TYR OH : rot 180:sc= 0.437 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+ -170:sc= 0.433 (180deg=-0.0671) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 5.928 11.435 6.028 1.00 0.00 N ATOM 118 CA ARG A 9 7.217 11.121 5.430 1.00 0.00 C ATOM 119 C ARG A 9 7.303 9.646 5.070 1.00 0.00 C ATOM 120 O ARG A 9 7.712 9.296 3.966 1.00 0.00 O ATOM 121 CB ARG A 9 8.356 11.494 6.384 1.00 0.00 C ATOM 122 CG ARG A 9 8.384 12.963 6.764 1.00 0.00 C ATOM 123 CD ARG A 9 9.523 13.273 7.721 1.00 0.00 C ATOM 124 NE ARG A 9 9.527 14.681 8.120 1.00 0.00 N ATOM 125 CZ ARG A 9 10.579 15.321 8.635 1.00 0.00 C ATOM 126 NH1 ARG A 9 11.729 14.678 8.828 1.00 0.00 N ATOM 127 NH2 ARG A 9 10.477 16.602 8.961 1.00 0.00 N ATOM 0 HA ARG A 9 7.315 11.707 4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.268 10.896 7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.306 11.231 5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.489 13.570 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.436 13.238 7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.435 12.644 8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.473 13.026 7.248 1.00 0.00 H new ATOM 0 HE ARG A 9 8.664 15.211 7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.809 13.691 8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.530 15.172 9.222 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.596 17.096 8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.279 17.093 9.355 1.00 0.00 H new ATOM 141 N GLN A 10 6.889 8.790 6.004 1.00 0.00 N ATOM 142 CA GLN A 10 6.941 7.337 5.813 1.00 0.00 C ATOM 143 C GLN A 10 6.112 6.918 4.607 1.00 0.00 C ATOM 144 O GLN A 10 6.550 6.125 3.787 1.00 0.00 O ATOM 145 CB GLN A 10 6.444 6.622 7.087 1.00 0.00 C ATOM 146 CG GLN A 10 6.641 5.101 7.101 1.00 0.00 C ATOM 147 CD GLN A 10 5.585 4.329 6.320 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.441 4.760 6.209 1.00 0.00 O ATOM 149 NE2 GLN A 10 5.965 3.174 5.789 1.00 0.00 N ATOM 0 H GLN A 10 6.511 9.078 6.907 1.00 0.00 H new ATOM 0 HA GLN A 10 7.975 7.048 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.960 7.047 7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.383 6.836 7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.623 4.869 6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.638 4.755 8.135 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.926 2.851 5.904 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.296 2.609 5.266 1.00 0.00 H new ATOM 158 N VAL A 11 4.925 7.475 4.504 1.00 0.00 N ATOM 159 CA VAL A 11 4.012 7.141 3.430 1.00 0.00 C ATOM 160 C VAL A 11 4.467 7.719 2.092 1.00 0.00 C ATOM 161 O VAL A 11 4.424 7.039 1.070 1.00 0.00 O ATOM 162 CB VAL A 11 2.581 7.619 3.759 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.645 7.420 2.578 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.062 6.882 4.981 1.00 0.00 C ATOM 0 H VAL A 11 4.566 8.169 5.159 1.00 0.00 H new ATOM 0 HA VAL A 11 4.010 6.055 3.338 1.00 0.00 H new ATOM 0 HB VAL A 11 2.617 8.687 3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.646 7.767 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.012 7.989 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.605 6.362 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.052 7.222 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.047 5.811 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.714 7.083 5.831 1.00 0.00 H new ATOM 174 N CYS A 12 4.926 8.958 2.107 1.00 0.00 N ATOM 175 CA CYS A 12 5.351 9.613 0.875 1.00 0.00 C ATOM 176 C CYS A 12 6.626 8.974 0.333 1.00 0.00 C ATOM 177 O CYS A 12 6.705 8.627 -0.853 1.00 0.00 O ATOM 178 CB CYS A 12 5.553 11.109 1.095 1.00 0.00 C ATOM 179 SG CYS A 12 5.699 12.079 -0.442 1.00 0.00 S ATOM 0 H CYS A 12 5.015 9.529 2.948 1.00 0.00 H new ATOM 0 HA CYS A 12 4.561 9.481 0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.716 11.495 1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.452 11.259 1.692 1.00 0.00 H new ATOM 184 N TRP A 13 7.624 8.803 1.199 1.00 0.00 N ATOM 185 CA TRP A 13 8.863 8.175 0.787 1.00 0.00 C ATOM 186 C TRP A 13 8.610 6.715 0.482 1.00 0.00 C ATOM 187 O TRP A 13 9.150 6.171 -0.480 1.00 0.00 O ATOM 188 CB TRP A 13 9.948 8.310 1.861 1.00 0.00 C ATOM 189 CG TRP A 13 11.251 7.690 1.455 1.00 0.00 C ATOM 190 CD1 TRP A 13 11.681 6.422 1.734 1.00 0.00 C ATOM 191 CD2 TRP A 13 12.290 8.303 0.680 1.00 0.00 C ATOM 192 NE1 TRP A 13 12.918 6.212 1.183 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.316 7.352 0.530 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.450 9.565 0.098 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.486 7.622 -0.177 1.00 0.00 C ATOM 196 CZ3 TRP A 13 13.610 9.832 -0.602 1.00 0.00 C ATOM 197 CH2 TRP A 13 14.615 8.864 -0.734 1.00 0.00 C ATOM 0 H TRP A 13 7.593 9.089 2.178 1.00 0.00 H new ATOM 0 HA TRP A 13 9.222 8.682 -0.109 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.106 9.366 2.080 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.600 7.843 2.782 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.126 5.692 2.305 1.00 0.00 H new ATOM 0 HE1 TRP A 13 13.456 5.348 1.248 1.00 0.00 H new ATOM 0 HE3 TRP A 13 11.680 10.317 0.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.262 6.878 -0.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.745 10.803 -1.055 1.00 0.00 H new ATOM 0 HH2 TRP A 13 15.511 9.104 -1.288 1.00 0.00 H new ATOM 208 N GLY A 14 7.772 6.094 1.304 1.00 0.00 N ATOM 209 CA GLY A 14 7.415 4.714 1.106 1.00 0.00 C ATOM 210 C GLY A 14 6.836 4.487 -0.260 1.00 0.00 C ATOM 211 O GLY A 14 7.232 3.578 -0.947 1.00 0.00 O ATOM 0 H GLY A 14 7.332 6.534 2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.296 4.086 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.692 4.412 1.864 1.00 0.00 H new ATOM 215 N ALA A 15 5.914 5.348 -0.661 1.00 0.00 N ATOM 216 CA ALA A 15 5.294 5.260 -1.976 1.00 0.00 C ATOM 217 C ALA A 15 6.338 5.368 -3.081 1.00 0.00 C ATOM 218 O ALA A 15 6.318 4.611 -4.055 1.00 0.00 O ATOM 219 CB ALA A 15 4.264 6.362 -2.136 1.00 0.00 C ATOM 0 H ALA A 15 5.576 6.122 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 15 4.805 4.289 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.804 6.290 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.497 6.257 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.750 7.332 -2.032 1.00 0.00 H new ATOM 225 N ARG A 16 7.257 6.303 -2.912 1.00 0.00 N ATOM 226 CA ARG A 16 8.298 6.551 -3.896 1.00 0.00 C ATOM 227 C ARG A 16 9.261 5.364 -3.978 1.00 0.00 C ATOM 228 O ARG A 16 9.681 4.963 -5.063 1.00 0.00 O ATOM 229 CB ARG A 16 9.071 7.825 -3.538 1.00 0.00 C ATOM 230 CG ARG A 16 9.941 8.359 -4.666 1.00 0.00 C ATOM 231 CD ARG A 16 9.095 8.985 -5.767 1.00 0.00 C ATOM 232 NE ARG A 16 8.414 10.200 -5.305 1.00 0.00 N ATOM 233 CZ ARG A 16 7.336 10.735 -5.882 1.00 0.00 C ATOM 234 NH1 ARG A 16 6.779 10.151 -6.937 1.00 0.00 N ATOM 235 NH2 ARG A 16 6.817 11.857 -5.395 1.00 0.00 N ATOM 0 H ARG A 16 7.303 6.909 -2.093 1.00 0.00 H new ATOM 0 HA ARG A 16 7.824 6.681 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.361 8.598 -3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.701 7.624 -2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.636 9.100 -4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.540 7.549 -5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.729 9.226 -6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.356 8.263 -6.113 1.00 0.00 H new ATOM 0 HE ARG A 16 8.792 10.670 -4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.175 9.289 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.955 10.565 -7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.242 12.306 -4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.993 12.270 -5.832 1.00 0.00 H new ATOM 249 N ASP A 17 9.604 4.812 -2.829 1.00 0.00 N ATOM 250 CA ASP A 17 10.525 3.683 -2.760 1.00 0.00 C ATOM 251 C ASP A 17 9.832 2.392 -3.202 1.00 0.00 C ATOM 252 O ASP A 17 10.425 1.555 -3.897 1.00 0.00 O ATOM 253 CB ASP A 17 11.082 3.543 -1.344 1.00 0.00 C ATOM 254 CG ASP A 17 12.234 2.570 -1.262 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.129 2.627 -2.135 1.00 0.00 O ATOM 256 OD2 ASP A 17 12.275 1.767 -0.311 1.00 0.00 O ATOM 0 H ASP A 17 9.258 5.127 -1.923 1.00 0.00 H new ATOM 0 HA ASP A 17 11.355 3.869 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.411 4.520 -0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.286 3.214 -0.676 1.00 0.00 H new ATOM 261 N GLU A 18 8.567 2.253 -2.817 1.00 0.00 N ATOM 262 CA GLU A 18 7.754 1.099 -3.184 1.00 0.00 C ATOM 263 C GLU A 18 7.480 1.072 -4.679 1.00 0.00 C ATOM 264 O GLU A 18 7.143 0.032 -5.232 1.00 0.00 O ATOM 265 CB GLU A 18 6.441 1.065 -2.388 1.00 0.00 C ATOM 266 CG GLU A 18 6.614 0.587 -0.949 1.00 0.00 C ATOM 267 CD GLU A 18 5.310 0.545 -0.172 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.453 -0.317 -0.476 1.00 0.00 O ATOM 269 OE2 GLU A 18 5.147 1.350 0.771 1.00 0.00 O ATOM 0 H GLU A 18 8.077 2.938 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 18 8.323 0.205 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.004 2.063 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.733 0.411 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.058 -0.408 -0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.314 1.246 -0.436 1.00 0.00 H new ATOM 276 N TYR A 19 7.612 2.230 -5.325 1.00 0.00 N ATOM 277 CA TYR A 19 7.454 2.321 -6.773 1.00 0.00 C ATOM 278 C TYR A 19 8.390 1.330 -7.475 1.00 0.00 C ATOM 279 O TYR A 19 8.024 0.714 -8.475 1.00 0.00 O ATOM 280 CB TYR A 19 7.728 3.756 -7.248 1.00 0.00 C ATOM 281 CG TYR A 19 7.773 3.913 -8.752 1.00 0.00 C ATOM 282 CD1 TYR A 19 6.655 3.645 -9.534 1.00 0.00 C ATOM 283 CD2 TYR A 19 8.935 4.329 -9.388 1.00 0.00 C ATOM 284 CE1 TYR A 19 6.698 3.788 -10.908 1.00 0.00 C ATOM 285 CE2 TYR A 19 8.984 4.475 -10.757 1.00 0.00 C ATOM 286 CZ TYR A 19 7.866 4.203 -11.513 1.00 0.00 C ATOM 287 OH TYR A 19 7.913 4.350 -12.881 1.00 0.00 O ATOM 0 H TYR A 19 7.828 3.116 -4.868 1.00 0.00 H new ATOM 0 HA TYR A 19 6.427 2.063 -7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.955 4.413 -6.848 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.678 4.090 -6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.740 3.320 -9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.815 4.542 -8.800 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.823 3.576 -11.504 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.896 4.801 -11.235 1.00 0.00 H new ATOM 0 HH TYR A 19 8.807 4.650 -13.147 1.00 0.00 H new ATOM 297 N TRP A 20 9.588 1.170 -6.929 1.00 0.00 N ATOM 298 CA TRP A 20 10.542 0.217 -7.465 1.00 0.00 C ATOM 299 C TRP A 20 10.190 -1.190 -6.974 1.00 0.00 C ATOM 300 O TRP A 20 9.909 -2.091 -7.774 1.00 0.00 O ATOM 301 CB TRP A 20 11.971 0.600 -7.057 1.00 0.00 C ATOM 302 CG TRP A 20 13.020 -0.314 -7.617 1.00 0.00 C ATOM 303 CD1 TRP A 20 13.098 -0.788 -8.893 1.00 0.00 C ATOM 304 CD2 TRP A 20 14.151 -0.851 -6.921 1.00 0.00 C ATOM 305 NE1 TRP A 20 14.195 -1.599 -9.029 1.00 0.00 N ATOM 306 CE2 TRP A 20 14.859 -1.652 -7.833 1.00 0.00 C ATOM 307 CE3 TRP A 20 14.629 -0.736 -5.614 1.00 0.00 C ATOM 308 CZ2 TRP A 20 16.021 -2.333 -7.481 1.00 0.00 C ATOM 309 CZ3 TRP A 20 15.781 -1.411 -5.268 1.00 0.00 C ATOM 310 CH2 TRP A 20 16.466 -2.199 -6.197 1.00 0.00 C ATOM 0 H TRP A 20 9.919 1.689 -6.116 1.00 0.00 H new ATOM 0 HA TRP A 20 10.492 0.231 -8.554 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.174 1.618 -7.388 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.042 0.598 -5.969 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.397 -0.558 -9.682 1.00 0.00 H new ATOM 0 HE1 TRP A 20 14.471 -2.084 -9.883 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.107 -0.130 -4.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.551 -2.944 -8.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.161 -1.329 -4.260 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.366 -2.713 -5.893 1.00 0.00 H new ATOM 321 N LYS A 21 10.188 -1.365 -5.664 1.00 0.00 N ATOM 322 CA LYS A 21 9.808 -2.631 -5.059 1.00 0.00 C ATOM 323 C LYS A 21 8.610 -2.437 -4.140 1.00 0.00 C ATOM 324 O LYS A 21 8.713 -1.841 -3.071 1.00 0.00 O ATOM 325 CB LYS A 21 10.995 -3.312 -4.336 1.00 0.00 C ATOM 326 CG LYS A 21 12.078 -2.369 -3.806 1.00 0.00 C ATOM 327 CD LYS A 21 11.581 -1.487 -2.678 1.00 0.00 C ATOM 328 CE LYS A 21 12.715 -0.715 -2.039 1.00 0.00 C ATOM 329 NZ LYS A 21 13.606 -1.596 -1.250 1.00 0.00 N ATOM 0 H LYS A 21 10.447 -0.641 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 21 9.514 -3.312 -5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.603 -3.892 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.459 -4.018 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.927 -2.957 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.439 -1.742 -4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.835 -0.790 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.087 -2.101 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.294 -0.213 -2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.307 0.062 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.231 -1.015 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.032 -2.218 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.181 -2.175 -1.895 1.00 0.00 H new ATOM 343 N CYS A 22 7.471 -2.927 -4.581 1.00 0.00 N ATOM 344 CA CYS A 22 6.225 -2.733 -3.867 1.00 0.00 C ATOM 345 C CYS A 22 6.224 -3.410 -2.494 1.00 0.00 C ATOM 346 O CYS A 22 6.771 -4.505 -2.324 1.00 0.00 O ATOM 347 CB CYS A 22 5.065 -3.253 -4.723 1.00 0.00 C ATOM 348 SG CYS A 22 5.311 -4.956 -5.361 1.00 0.00 S ATOM 0 H CYS A 22 7.382 -3.469 -5.441 1.00 0.00 H new ATOM 0 HA CYS A 22 6.106 -1.665 -3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.150 -3.227 -4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.918 -2.578 -5.566 1.00 0.00 H new ATOM 353 N LEU A 23 5.588 -2.735 -1.523 1.00 0.00 N ATOM 354 CA LEU A 23 5.421 -3.239 -0.163 1.00 0.00 C ATOM 355 C LEU A 23 6.733 -3.671 0.473 1.00 0.00 C ATOM 356 O LEU A 23 6.839 -4.785 0.995 1.00 0.00 O ATOM 357 CB LEU A 23 4.409 -4.373 -0.143 1.00 0.00 C ATOM 358 CG LEU A 23 3.004 -3.991 -0.592 1.00 0.00 C ATOM 359 CD1 LEU A 23 2.143 -5.216 -0.695 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.386 -2.989 0.368 1.00 0.00 C ATOM 0 H LEU A 23 5.173 -1.815 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 23 5.045 -2.413 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.773 -5.176 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.354 -4.773 0.869 1.00 0.00 H new ATOM 0 HG LEU A 23 3.071 -3.524 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.141 -4.931 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.575 -5.904 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.086 -5.704 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.383 -2.730 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.330 -3.427 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.001 -2.090 0.401 1.00 0.00 H new ATOM 372 N ASP A 24 7.710 -2.763 0.468 1.00 0.00 N ATOM 373 CA ASP A 24 9.039 -3.010 1.059 1.00 0.00 C ATOM 374 C ASP A 24 8.928 -3.339 2.555 1.00 0.00 C ATOM 375 O ASP A 24 9.850 -3.895 3.157 1.00 0.00 O ATOM 376 CB ASP A 24 9.935 -1.777 0.864 1.00 0.00 C ATOM 377 CG ASP A 24 11.331 -1.960 1.439 1.00 0.00 C ATOM 378 OD1 ASP A 24 12.197 -2.528 0.742 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.571 -1.527 2.585 1.00 0.00 O ATOM 0 H ASP A 24 7.609 -1.835 0.056 1.00 0.00 H new ATOM 0 HA ASP A 24 9.482 -3.868 0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.013 -1.556 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.464 -0.914 1.335 1.00 0.00 H new ATOM 384 N GLU A 25 7.786 -3.006 3.131 1.00 0.00 N ATOM 385 CA GLU A 25 7.524 -3.221 4.544 1.00 0.00 C ATOM 386 C GLU A 25 7.656 -4.688 4.925 1.00 0.00 C ATOM 387 O GLU A 25 8.501 -5.059 5.743 1.00 0.00 O ATOM 388 CB GLU A 25 6.112 -2.788 4.857 1.00 0.00 C ATOM 389 CG GLU A 25 5.787 -1.406 4.394 1.00 0.00 C ATOM 390 CD GLU A 25 4.359 -1.074 4.617 1.00 0.00 C ATOM 391 OE1 GLU A 25 4.075 -0.166 5.419 1.00 0.00 O ATOM 392 OE2 GLU A 25 3.509 -1.719 3.974 1.00 0.00 O ATOM 0 H GLU A 25 7.009 -2.576 2.629 1.00 0.00 H new ATOM 0 HA GLU A 25 8.255 -2.641 5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.417 -3.489 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.955 -2.846 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.414 -0.688 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.021 -1.313 3.333 1.00 0.00 H new ATOM 399 N ASN A 26 6.824 -5.528 4.314 1.00 0.00 N ATOM 400 CA ASN A 26 6.797 -6.950 4.681 1.00 0.00 C ATOM 401 C ASN A 26 6.926 -7.884 3.477 1.00 0.00 C ATOM 402 O ASN A 26 7.423 -8.995 3.613 1.00 0.00 O ATOM 403 CB ASN A 26 5.503 -7.268 5.439 1.00 0.00 C ATOM 404 CG ASN A 26 5.352 -6.464 6.716 1.00 0.00 C ATOM 405 OD1 ASN A 26 5.792 -6.887 7.776 1.00 0.00 O ATOM 406 ND2 ASN A 26 4.726 -5.302 6.623 1.00 0.00 N ATOM 0 H ASN A 26 6.171 -5.261 3.577 1.00 0.00 H new ATOM 0 HA ASN A 26 7.665 -7.126 5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.650 -7.071 4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.482 -8.331 5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.596 -4.725 7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.373 -4.984 5.720 1.00 0.00 H new ATOM 413 N LEU A 27 6.486 -7.424 2.299 1.00 0.00 N ATOM 414 CA LEU A 27 6.542 -8.225 1.047 1.00 0.00 C ATOM 415 C LEU A 27 5.855 -9.601 1.181 1.00 0.00 C ATOM 416 O LEU A 27 6.084 -10.486 0.358 1.00 0.00 O ATOM 417 CB LEU A 27 7.997 -8.438 0.571 1.00 0.00 C ATOM 418 CG LEU A 27 8.806 -7.186 0.224 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.402 -6.571 1.473 1.00 0.00 C ATOM 420 CD2 LEU A 27 9.896 -7.513 -0.784 1.00 0.00 C ATOM 0 H LEU A 27 6.083 -6.495 2.176 1.00 0.00 H new ATOM 0 HA LEU A 27 5.995 -7.640 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.532 -8.982 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.975 -9.081 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 27 8.131 -6.459 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.973 -5.682 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.602 -6.294 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.061 -7.293 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.459 -6.609 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.568 -8.261 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.443 -7.903 -1.695 1.00 0.00 H new ATOM 432 N GLU A 28 4.998 -9.759 2.190 1.00 0.00 N ATOM 433 CA GLU A 28 4.345 -11.050 2.452 1.00 0.00 C ATOM 434 C GLU A 28 3.431 -11.483 1.309 1.00 0.00 C ATOM 435 O GLU A 28 3.335 -12.669 0.997 1.00 0.00 O ATOM 436 CB GLU A 28 3.569 -11.009 3.766 1.00 0.00 C ATOM 437 CG GLU A 28 4.443 -10.803 4.986 1.00 0.00 C ATOM 438 CD GLU A 28 5.340 -11.988 5.268 1.00 0.00 C ATOM 439 OE1 GLU A 28 6.382 -12.124 4.596 1.00 0.00 O ATOM 440 OE2 GLU A 28 5.012 -12.784 6.171 1.00 0.00 O ATOM 0 H GLU A 28 4.738 -9.016 2.838 1.00 0.00 H new ATOM 0 HA GLU A 28 5.138 -11.793 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.833 -10.206 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.016 -11.941 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.057 -9.914 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.810 -10.617 5.854 1.00 0.00 H new ATOM 447 N ASP A 29 2.763 -10.533 0.690 1.00 0.00 N ATOM 448 CA ASP A 29 1.891 -10.849 -0.422 1.00 0.00 C ATOM 449 C ASP A 29 2.042 -9.837 -1.532 1.00 0.00 C ATOM 450 O ASP A 29 1.390 -8.802 -1.552 1.00 0.00 O ATOM 451 CB ASP A 29 0.438 -10.947 0.019 1.00 0.00 C ATOM 452 CG ASP A 29 -0.460 -11.419 -1.105 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.386 -12.620 -1.461 1.00 0.00 O ATOM 454 OD2 ASP A 29 -1.231 -10.599 -1.642 1.00 0.00 O ATOM 0 H ASP A 29 2.806 -9.544 0.935 1.00 0.00 H new ATOM 0 HA ASP A 29 2.190 -11.825 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.359 -11.635 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.098 -9.973 0.371 1.00 0.00 H new ATOM 459 N ALA A 30 2.932 -10.129 -2.435 1.00 0.00 N ATOM 460 CA ALA A 30 3.192 -9.254 -3.555 1.00 0.00 C ATOM 461 C ALA A 30 2.023 -9.245 -4.530 1.00 0.00 C ATOM 462 O ALA A 30 1.951 -8.405 -5.422 1.00 0.00 O ATOM 463 CB ALA A 30 4.481 -9.647 -4.251 1.00 0.00 C ATOM 0 H ALA A 30 3.500 -10.976 -2.422 1.00 0.00 H new ATOM 0 HA ALA A 30 3.308 -8.240 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.660 -8.977 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.311 -9.576 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.400 -10.671 -4.615 1.00 0.00 H new ATOM 469 N SER A 31 1.118 -10.186 -4.348 1.00 0.00 N ATOM 470 CA SER A 31 -0.058 -10.312 -5.177 1.00 0.00 C ATOM 471 C SER A 31 -0.863 -9.001 -5.190 1.00 0.00 C ATOM 472 O SER A 31 -1.238 -8.496 -6.252 1.00 0.00 O ATOM 473 CB SER A 31 -0.918 -11.446 -4.634 1.00 0.00 C ATOM 474 OG SER A 31 -0.123 -12.591 -4.348 1.00 0.00 O ATOM 0 H SER A 31 1.181 -10.890 -3.613 1.00 0.00 H new ATOM 0 HA SER A 31 0.246 -10.529 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.431 -11.119 -3.730 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.688 -11.705 -5.361 1.00 0.00 H new ATOM 0 HG SER A 31 -0.106 -12.744 -3.380 1.00 0.00 H new ATOM 480 N GLN A 32 -1.086 -8.443 -4.011 1.00 0.00 N ATOM 481 CA GLN A 32 -1.872 -7.219 -3.863 1.00 0.00 C ATOM 482 C GLN A 32 -0.999 -5.965 -3.870 1.00 0.00 C ATOM 483 O GLN A 32 -1.505 -4.852 -3.713 1.00 0.00 O ATOM 484 CB GLN A 32 -2.682 -7.269 -2.568 1.00 0.00 C ATOM 485 CG GLN A 32 -3.826 -8.266 -2.598 1.00 0.00 C ATOM 486 CD GLN A 32 -4.889 -7.886 -3.604 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.833 -8.281 -4.770 1.00 0.00 O ATOM 488 NE2 GLN A 32 -5.866 -7.117 -3.164 1.00 0.00 N ATOM 0 H GLN A 32 -0.732 -8.820 -3.132 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.542 -7.162 -4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.015 -7.520 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.083 -6.276 -2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.437 -9.255 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.274 -8.332 -1.606 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.876 -6.811 -2.191 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.612 -6.828 -3.797 1.00 0.00 H new ATOM 497 N CYS A 33 0.300 -6.133 -4.066 1.00 0.00 N ATOM 498 CA CYS A 33 1.216 -5.001 -3.988 1.00 0.00 C ATOM 499 C CYS A 33 1.025 -4.018 -5.126 1.00 0.00 C ATOM 500 O CYS A 33 1.249 -2.834 -4.954 1.00 0.00 O ATOM 501 CB CYS A 33 2.672 -5.450 -3.947 1.00 0.00 C ATOM 502 SG CYS A 33 3.437 -5.714 -5.579 1.00 0.00 S ATOM 0 H CYS A 33 0.741 -7.028 -4.277 1.00 0.00 H new ATOM 0 HA CYS A 33 0.974 -4.494 -3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.253 -4.703 -3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.736 -6.377 -3.377 1.00 0.00 H new ATOM 507 N LYS A 34 0.605 -4.502 -6.284 1.00 0.00 N ATOM 508 CA LYS A 34 0.452 -3.630 -7.439 1.00 0.00 C ATOM 509 C LYS A 34 -0.706 -2.659 -7.240 1.00 0.00 C ATOM 510 O LYS A 34 -0.628 -1.496 -7.645 1.00 0.00 O ATOM 511 CB LYS A 34 0.290 -4.446 -8.725 1.00 0.00 C ATOM 512 CG LYS A 34 1.495 -5.325 -9.048 1.00 0.00 C ATOM 513 CD LYS A 34 2.755 -4.492 -9.258 1.00 0.00 C ATOM 514 CE LYS A 34 3.949 -5.359 -9.639 1.00 0.00 C ATOM 515 NZ LYS A 34 4.354 -6.286 -8.543 1.00 0.00 N ATOM 0 H LYS A 34 0.367 -5.480 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 34 1.362 -3.038 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.595 -5.076 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.114 -3.765 -9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.657 -6.034 -8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.290 -5.909 -9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.577 -3.754 -10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.982 -3.940 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.704 -5.939 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.792 -4.718 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.375 -6.192 -8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.831 -6.048 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.139 -7.265 -8.819 1.00 0.00 H new ATOM 529 N LYS A 35 -1.761 -3.126 -6.597 1.00 0.00 N ATOM 530 CA LYS A 35 -2.901 -2.280 -6.301 1.00 0.00 C ATOM 531 C LYS A 35 -2.554 -1.300 -5.180 1.00 0.00 C ATOM 532 O LYS A 35 -2.769 -0.090 -5.310 1.00 0.00 O ATOM 533 CB LYS A 35 -4.122 -3.126 -5.911 1.00 0.00 C ATOM 534 CG LYS A 35 -5.350 -2.306 -5.530 1.00 0.00 C ATOM 535 CD LYS A 35 -5.858 -1.468 -6.697 1.00 0.00 C ATOM 536 CE LYS A 35 -6.979 -0.537 -6.262 1.00 0.00 C ATOM 537 NZ LYS A 35 -7.535 0.235 -7.399 1.00 0.00 N ATOM 0 H LYS A 35 -1.851 -4.088 -6.270 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.151 -1.715 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.379 -3.780 -6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.853 -3.769 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.142 -2.974 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.105 -1.652 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.037 -0.883 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.215 -2.124 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.774 -1.120 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.604 0.152 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.296 0.856 -7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.783 0.812 -7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.917 -0.421 -8.110 1.00 0.00 H new ATOM 551 N LEU A 36 -1.998 -1.828 -4.087 1.00 0.00 N ATOM 552 CA LEU A 36 -1.622 -1.001 -2.941 1.00 0.00 C ATOM 553 C LEU A 36 -0.588 0.053 -3.346 1.00 0.00 C ATOM 554 O LEU A 36 -0.734 1.234 -3.029 1.00 0.00 O ATOM 555 CB LEU A 36 -1.083 -1.870 -1.789 1.00 0.00 C ATOM 556 CG LEU A 36 -2.056 -2.915 -1.212 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.470 -3.566 0.027 1.00 0.00 C ATOM 558 CD2 LEU A 36 -3.402 -2.286 -0.899 1.00 0.00 C ATOM 0 H LEU A 36 -1.799 -2.822 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.517 -0.487 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.191 -2.389 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.770 -1.210 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.209 -3.687 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.173 -4.301 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.534 -4.061 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.282 -2.804 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.072 -3.044 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.270 -1.489 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.832 -1.873 -1.812 1.00 0.00 H new ATOM 570 N ARG A 37 0.452 -0.377 -4.072 1.00 0.00 N ATOM 571 CA ARG A 37 1.485 0.545 -4.546 1.00 0.00 C ATOM 572 C ARG A 37 0.866 1.641 -5.403 1.00 0.00 C ATOM 573 O ARG A 37 1.250 2.801 -5.308 1.00 0.00 O ATOM 574 CB ARG A 37 2.534 -0.190 -5.373 1.00 0.00 C ATOM 575 CG ARG A 37 3.795 0.618 -5.623 1.00 0.00 C ATOM 576 CD ARG A 37 4.570 0.084 -6.813 1.00 0.00 C ATOM 577 NE ARG A 37 4.080 0.637 -8.076 1.00 0.00 N ATOM 578 CZ ARG A 37 4.500 0.253 -9.281 1.00 0.00 C ATOM 579 NH1 ARG A 37 5.402 -0.712 -9.402 1.00 0.00 N ATOM 580 NH2 ARG A 37 4.021 0.847 -10.359 1.00 0.00 N ATOM 0 H ARG A 37 0.598 -1.350 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 37 1.961 0.985 -3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.802 -1.115 -4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.097 -0.469 -6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.531 1.661 -5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.427 0.593 -4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.626 0.326 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.493 -1.003 -6.838 1.00 0.00 H new ATOM 0 HE ARG A 37 3.368 1.366 -8.031 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.779 -1.165 -8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.719 -1.001 -10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.334 1.595 -10.266 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.338 0.558 -11.284 1.00 0.00 H new ATOM 594 N SER A 38 -0.099 1.257 -6.238 1.00 0.00 N ATOM 595 CA SER A 38 -0.773 2.194 -7.125 1.00 0.00 C ATOM 596 C SER A 38 -1.476 3.299 -6.336 1.00 0.00 C ATOM 597 O SER A 38 -1.509 4.451 -6.771 1.00 0.00 O ATOM 598 CB SER A 38 -1.781 1.457 -8.010 1.00 0.00 C ATOM 599 OG SER A 38 -2.431 2.349 -8.907 1.00 0.00 O ATOM 0 H SER A 38 -0.431 0.296 -6.316 1.00 0.00 H new ATOM 0 HA SER A 38 -0.016 2.659 -7.757 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.270 0.678 -8.575 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.524 0.962 -7.384 1.00 0.00 H new ATOM 0 HG SER A 38 -3.068 1.850 -9.460 1.00 0.00 H new ATOM 605 N SER A 39 -2.029 2.946 -5.186 1.00 0.00 N ATOM 606 CA SER A 39 -2.718 3.917 -4.354 1.00 0.00 C ATOM 607 C SER A 39 -1.706 4.854 -3.685 1.00 0.00 C ATOM 608 O SER A 39 -1.958 6.047 -3.511 1.00 0.00 O ATOM 609 CB SER A 39 -3.577 3.203 -3.302 1.00 0.00 C ATOM 610 OG SER A 39 -4.490 4.098 -2.690 1.00 0.00 O ATOM 0 H SER A 39 -2.014 1.998 -4.810 1.00 0.00 H new ATOM 0 HA SER A 39 -3.376 4.516 -4.983 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.125 2.385 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.933 2.761 -2.542 1.00 0.00 H new ATOM 0 HG SER A 39 -5.353 3.650 -2.565 1.00 0.00 H new ATOM 616 N PHE A 40 -0.551 4.307 -3.336 1.00 0.00 N ATOM 617 CA PHE A 40 0.506 5.070 -2.705 1.00 0.00 C ATOM 618 C PHE A 40 1.181 6.027 -3.685 1.00 0.00 C ATOM 619 O PHE A 40 1.321 7.218 -3.410 1.00 0.00 O ATOM 620 CB PHE A 40 1.533 4.124 -2.086 1.00 0.00 C ATOM 621 CG PHE A 40 1.248 3.798 -0.653 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.172 2.997 -0.310 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.049 4.307 0.356 1.00 0.00 C ATOM 624 CE1 PHE A 40 -0.099 2.715 1.012 1.00 0.00 C ATOM 625 CE2 PHE A 40 1.785 4.025 1.678 1.00 0.00 C ATOM 626 CZ PHE A 40 0.709 3.230 2.006 1.00 0.00 C ATOM 0 H PHE A 40 -0.324 3.324 -3.483 1.00 0.00 H new ATOM 0 HA PHE A 40 0.056 5.677 -1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.560 3.200 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.523 4.575 -2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.461 2.590 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.892 4.933 0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.943 2.092 1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.419 4.426 2.455 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.497 3.009 3.042 1.00 0.00 H new ATOM 636 N GLU A 41 1.569 5.512 -4.838 1.00 0.00 N ATOM 637 CA GLU A 41 2.270 6.313 -5.846 1.00 0.00 C ATOM 638 C GLU A 41 1.347 7.340 -6.495 1.00 0.00 C ATOM 639 O GLU A 41 1.785 8.140 -7.331 1.00 0.00 O ATOM 640 CB GLU A 41 2.864 5.423 -6.931 1.00 0.00 C ATOM 641 CG GLU A 41 1.821 4.683 -7.752 1.00 0.00 C ATOM 642 CD GLU A 41 2.392 4.039 -8.993 1.00 0.00 C ATOM 643 OE1 GLU A 41 2.729 4.780 -9.947 1.00 0.00 O ATOM 644 OE2 GLU A 41 2.477 2.795 -9.040 1.00 0.00 O ATOM 0 H GLU A 41 1.414 4.541 -5.107 1.00 0.00 H new ATOM 0 HA GLU A 41 3.070 6.841 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.472 6.034 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.532 4.696 -6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.357 3.916 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.033 5.379 -8.041 1.00 0.00 H new ATOM 651 N SER A 42 0.077 7.307 -6.117 1.00 0.00 N ATOM 652 CA SER A 42 -0.925 8.176 -6.698 1.00 0.00 C ATOM 653 C SER A 42 -0.582 9.642 -6.463 1.00 0.00 C ATOM 654 O SER A 42 -0.782 10.483 -7.338 1.00 0.00 O ATOM 655 CB SER A 42 -2.313 7.848 -6.127 1.00 0.00 C ATOM 656 OG SER A 42 -3.334 8.600 -6.773 1.00 0.00 O ATOM 0 H SER A 42 -0.283 6.677 -5.400 1.00 0.00 H new ATOM 0 HA SER A 42 -0.941 8.004 -7.774 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.514 6.783 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.326 8.058 -5.058 1.00 0.00 H new ATOM 0 HG SER A 42 -4.205 8.367 -6.388 1.00 0.00 H new ATOM 662 N SER A 43 -0.065 9.955 -5.284 1.00 0.00 N ATOM 663 CA SER A 43 0.296 11.327 -4.984 1.00 0.00 C ATOM 664 C SER A 43 1.461 11.414 -3.996 1.00 0.00 C ATOM 665 O SER A 43 2.614 11.524 -4.412 1.00 0.00 O ATOM 666 CB SER A 43 -0.918 12.107 -4.462 1.00 0.00 C ATOM 667 OG SER A 43 -1.965 12.125 -5.422 1.00 0.00 O ATOM 0 H SER A 43 0.111 9.288 -4.533 1.00 0.00 H new ATOM 0 HA SER A 43 0.629 11.783 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.276 11.653 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.622 13.128 -4.222 1.00 0.00 H new ATOM 0 HG SER A 43 -2.728 12.626 -5.065 1.00 0.00 H new ATOM 673 N CYS A 44 1.146 11.319 -2.697 1.00 0.00 N ATOM 674 CA CYS A 44 2.134 11.468 -1.614 1.00 0.00 C ATOM 675 C CYS A 44 1.433 11.596 -0.236 1.00 0.00 C ATOM 676 O CYS A 44 1.806 10.903 0.712 1.00 0.00 O ATOM 677 CB CYS A 44 3.059 12.690 -1.863 1.00 0.00 C ATOM 678 SG CYS A 44 4.036 13.242 -0.417 1.00 0.00 S ATOM 0 H CYS A 44 0.199 11.137 -2.365 1.00 0.00 H new ATOM 0 HA CYS A 44 2.750 10.569 -1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.746 12.445 -2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.447 13.524 -2.206 1.00 0.00 H new ATOM 683 N PRO A 45 0.401 12.498 -0.096 1.00 0.00 N ATOM 684 CA PRO A 45 -0.343 12.648 1.164 1.00 0.00 C ATOM 685 C PRO A 45 -1.044 11.356 1.581 1.00 0.00 C ATOM 686 O PRO A 45 -1.803 10.762 0.803 1.00 0.00 O ATOM 687 CB PRO A 45 -1.381 13.740 0.855 1.00 0.00 C ATOM 688 CG PRO A 45 -1.459 13.788 -0.630 1.00 0.00 C ATOM 689 CD PRO A 45 -0.089 13.443 -1.119 1.00 0.00 C ATOM 0 HA PRO A 45 0.320 12.899 1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.349 13.499 1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.076 14.702 1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.198 13.081 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.760 14.777 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.117 12.987 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.548 14.325 -1.192 1.00 0.00 H new ATOM 697 N GLN A 46 -0.799 10.943 2.817 1.00 0.00 N ATOM 698 CA GLN A 46 -1.363 9.715 3.365 1.00 0.00 C ATOM 699 C GLN A 46 -2.878 9.772 3.417 1.00 0.00 C ATOM 700 O GLN A 46 -3.539 8.748 3.312 1.00 0.00 O ATOM 701 CB GLN A 46 -0.804 9.456 4.761 1.00 0.00 C ATOM 702 CG GLN A 46 -1.347 8.204 5.420 1.00 0.00 C ATOM 703 CD GLN A 46 -0.795 7.999 6.811 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.471 8.958 7.511 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.688 6.753 7.221 1.00 0.00 N ATOM 0 H GLN A 46 -0.202 11.451 3.470 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.080 8.896 2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.281 9.379 4.698 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.027 10.314 5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.434 8.265 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.104 7.338 4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.969 5.988 6.607 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.324 6.552 8.153 1.00 0.00 H new ATOM 714 N GLN A 47 -3.419 10.970 3.580 1.00 0.00 N ATOM 715 CA GLN A 47 -4.863 11.156 3.645 1.00 0.00 C ATOM 716 C GLN A 47 -5.544 10.522 2.430 1.00 0.00 C ATOM 717 O GLN A 47 -6.416 9.664 2.574 1.00 0.00 O ATOM 718 CB GLN A 47 -5.198 12.643 3.738 1.00 0.00 C ATOM 719 CG GLN A 47 -6.679 12.934 3.892 1.00 0.00 C ATOM 720 CD GLN A 47 -6.961 14.412 4.028 1.00 0.00 C ATOM 721 OE1 GLN A 47 -7.012 14.948 5.132 1.00 0.00 O ATOM 722 NE2 GLN A 47 -7.138 15.080 2.913 1.00 0.00 N ATOM 0 H GLN A 47 -2.879 11.831 3.670 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.239 10.659 4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.664 13.073 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.831 13.144 2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.216 12.542 3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.061 12.411 4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.088 14.597 2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.326 16.082 2.943 1.00 0.00 H new ATOM 731 N TRP A 48 -5.121 10.930 1.242 1.00 0.00 N ATOM 732 CA TRP A 48 -5.659 10.389 0.000 1.00 0.00 C ATOM 733 C TRP A 48 -5.236 8.931 -0.158 1.00 0.00 C ATOM 734 O TRP A 48 -6.069 8.045 -0.392 1.00 0.00 O ATOM 735 CB TRP A 48 -5.145 11.215 -1.194 1.00 0.00 C ATOM 736 CG TRP A 48 -5.748 10.834 -2.521 1.00 0.00 C ATOM 737 CD1 TRP A 48 -5.415 9.764 -3.303 1.00 0.00 C ATOM 738 CD2 TRP A 48 -6.780 11.539 -3.226 1.00 0.00 C ATOM 739 NE1 TRP A 48 -6.179 9.757 -4.444 1.00 0.00 N ATOM 740 CE2 TRP A 48 -7.024 10.835 -4.421 1.00 0.00 C ATOM 741 CE3 TRP A 48 -7.522 12.695 -2.962 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -7.977 11.248 -5.347 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -8.468 13.103 -3.882 1.00 0.00 C ATOM 744 CH2 TRP A 48 -8.687 12.381 -5.061 1.00 0.00 C ATOM 0 H TRP A 48 -4.401 11.640 1.111 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.747 10.442 0.030 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.349 12.269 -1.005 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.062 11.106 -1.256 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.661 9.031 -3.059 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.126 9.062 -5.188 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.358 13.258 -2.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.149 10.694 -6.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.048 13.993 -3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.434 12.727 -5.761 1.00 0.00 H new ATOM 755 N ILE A 49 -3.940 8.699 0.008 1.00 0.00 N ATOM 756 CA ILE A 49 -3.342 7.384 -0.159 1.00 0.00 C ATOM 757 C ILE A 49 -4.035 6.321 0.680 1.00 0.00 C ATOM 758 O ILE A 49 -4.594 5.373 0.139 1.00 0.00 O ATOM 759 CB ILE A 49 -1.836 7.420 0.189 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.060 8.145 -0.913 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.281 6.016 0.426 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.413 8.305 -0.621 1.00 0.00 C ATOM 0 H ILE A 49 -3.271 9.425 0.264 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.468 7.115 -1.208 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.714 7.972 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.178 7.596 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.499 9.131 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.220 6.080 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.815 5.549 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.412 5.416 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.893 8.828 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.542 8.881 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.869 7.322 -0.499 1.00 0.00 H new ATOM 774 N LYS A 50 -4.031 6.497 1.990 1.00 0.00 N ATOM 775 CA LYS A 50 -4.593 5.505 2.880 1.00 0.00 C ATOM 776 C LYS A 50 -6.098 5.447 2.804 1.00 0.00 C ATOM 777 O LYS A 50 -6.685 4.427 3.132 1.00 0.00 O ATOM 778 CB LYS A 50 -4.123 5.687 4.317 1.00 0.00 C ATOM 779 CG LYS A 50 -2.686 5.232 4.554 1.00 0.00 C ATOM 780 CD LYS A 50 -2.466 3.760 4.178 1.00 0.00 C ATOM 781 CE LYS A 50 -3.419 2.822 4.919 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.125 1.399 4.623 1.00 0.00 N ATOM 0 H LYS A 50 -3.645 7.317 2.457 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.216 4.544 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.211 6.739 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.785 5.130 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.010 5.857 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.431 5.378 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.602 3.638 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.437 3.480 4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.339 2.995 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.447 3.048 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.958 0.818 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.892 1.295 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.318 1.084 5.199 1.00 0.00 H new ATOM 796 N TYR A 51 -6.734 6.536 2.386 1.00 0.00 N ATOM 797 CA TYR A 51 -8.183 6.529 2.246 1.00 0.00 C ATOM 798 C TYR A 51 -8.609 5.469 1.232 1.00 0.00 C ATOM 799 O TYR A 51 -9.461 4.626 1.519 1.00 0.00 O ATOM 800 CB TYR A 51 -8.701 7.905 1.818 1.00 0.00 C ATOM 801 CG TYR A 51 -10.202 7.967 1.665 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.033 7.943 2.777 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.791 8.045 0.410 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.403 7.991 2.643 1.00 0.00 C ATOM 805 CE2 TYR A 51 -12.159 8.097 0.267 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.963 8.069 1.386 1.00 0.00 C ATOM 807 OH TYR A 51 -14.332 8.113 1.248 1.00 0.00 O ATOM 0 H TYR A 51 -6.280 7.416 2.143 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.616 6.289 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.389 8.646 2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.236 8.180 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.598 7.886 3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.165 8.065 -0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.035 7.968 3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.600 8.159 -0.717 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.563 8.168 0.297 1.00 0.00 H new ATOM 817 N PHE A 52 -8.003 5.511 0.055 1.00 0.00 N ATOM 818 CA PHE A 52 -8.300 4.534 -0.986 1.00 0.00 C ATOM 819 C PHE A 52 -7.644 3.187 -0.685 1.00 0.00 C ATOM 820 O PHE A 52 -8.272 2.129 -0.822 1.00 0.00 O ATOM 821 CB PHE A 52 -7.856 5.053 -2.355 1.00 0.00 C ATOM 822 CG PHE A 52 -8.648 6.238 -2.829 1.00 0.00 C ATOM 823 CD1 PHE A 52 -8.320 7.519 -2.421 1.00 0.00 C ATOM 824 CD2 PHE A 52 -9.723 6.069 -3.683 1.00 0.00 C ATOM 825 CE1 PHE A 52 -9.048 8.606 -2.853 1.00 0.00 C ATOM 826 CE2 PHE A 52 -10.454 7.156 -4.120 1.00 0.00 C ATOM 827 CZ PHE A 52 -10.116 8.425 -3.704 1.00 0.00 C ATOM 0 H PHE A 52 -7.305 6.208 -0.204 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.380 4.385 -1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.802 5.325 -2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.945 4.250 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.483 7.669 -1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.993 5.076 -4.011 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.781 9.600 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.290 7.011 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.687 9.276 -4.044 1.00 0.00 H new ATOM 837 N ASP A 53 -6.389 3.244 -0.255 1.00 0.00 N ATOM 838 CA ASP A 53 -5.588 2.047 0.027 1.00 0.00 C ATOM 839 C ASP A 53 -6.239 1.147 1.067 1.00 0.00 C ATOM 840 O ASP A 53 -6.363 -0.039 0.850 1.00 0.00 O ATOM 841 CB ASP A 53 -4.182 2.447 0.485 1.00 0.00 C ATOM 842 CG ASP A 53 -3.313 1.269 0.873 1.00 0.00 C ATOM 843 OD1 ASP A 53 -2.745 0.632 -0.020 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.178 1.009 2.088 1.00 0.00 O ATOM 0 H ASP A 53 -5.893 4.120 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.523 1.478 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.692 3.001 -0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.265 3.123 1.336 1.00 0.00 H new ATOM 849 N LYS A 54 -6.709 1.739 2.170 1.00 0.00 N ATOM 850 CA LYS A 54 -7.290 0.985 3.303 1.00 0.00 C ATOM 851 C LYS A 54 -8.375 -0.017 2.864 1.00 0.00 C ATOM 852 O LYS A 54 -8.537 -1.081 3.475 1.00 0.00 O ATOM 853 CB LYS A 54 -7.867 1.959 4.333 1.00 0.00 C ATOM 854 CG LYS A 54 -8.444 1.298 5.576 1.00 0.00 C ATOM 855 CD LYS A 54 -8.929 2.333 6.584 1.00 0.00 C ATOM 856 CE LYS A 54 -10.028 3.213 6.002 1.00 0.00 C ATOM 857 NZ LYS A 54 -10.465 4.256 6.958 1.00 0.00 N ATOM 0 H LYS A 54 -6.701 2.749 2.309 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.482 0.403 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.083 2.652 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.648 2.551 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.272 0.648 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.686 0.665 6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.301 1.827 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.091 2.956 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.668 3.686 5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.881 2.593 5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.213 4.833 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.832 3.805 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.657 4.864 7.202 1.00 0.00 H new ATOM 871 N ARG A 55 -9.086 0.309 1.801 1.00 0.00 N ATOM 872 CA ARG A 55 -10.171 -0.538 1.322 1.00 0.00 C ATOM 873 C ARG A 55 -9.654 -1.802 0.618 1.00 0.00 C ATOM 874 O ARG A 55 -10.303 -2.846 0.650 1.00 0.00 O ATOM 875 CB ARG A 55 -11.112 0.264 0.422 1.00 0.00 C ATOM 876 CG ARG A 55 -11.870 1.346 1.180 1.00 0.00 C ATOM 877 CD ARG A 55 -12.765 2.173 0.270 1.00 0.00 C ATOM 878 NE ARG A 55 -13.559 3.141 1.039 1.00 0.00 N ATOM 879 CZ ARG A 55 -13.829 4.389 0.647 1.00 0.00 C ATOM 880 NH1 ARG A 55 -13.387 4.834 -0.524 1.00 0.00 N ATOM 881 NH2 ARG A 55 -14.552 5.188 1.430 1.00 0.00 N ATOM 0 H ARG A 55 -8.934 1.154 1.250 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.734 -0.880 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.536 0.724 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.826 -0.414 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.476 0.883 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.158 2.003 1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.154 2.701 -0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.431 1.513 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.932 2.838 1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.839 4.222 -1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.596 5.788 -0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.898 4.846 2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.760 6.141 1.133 1.00 0.00 H new ATOM 895 N ARG A 56 -8.496 -1.703 -0.017 1.00 0.00 N ATOM 896 CA ARG A 56 -7.873 -2.858 -0.682 1.00 0.00 C ATOM 897 C ARG A 56 -6.680 -3.356 0.129 1.00 0.00 C ATOM 898 O ARG A 56 -6.051 -4.365 -0.209 1.00 0.00 O ATOM 899 CB ARG A 56 -7.409 -2.495 -2.102 1.00 0.00 C ATOM 900 CG ARG A 56 -8.481 -2.600 -3.183 1.00 0.00 C ATOM 901 CD ARG A 56 -9.598 -1.584 -3.003 1.00 0.00 C ATOM 902 NE ARG A 56 -10.501 -1.578 -4.157 1.00 0.00 N ATOM 903 CZ ARG A 56 -11.721 -1.036 -4.172 1.00 0.00 C ATOM 904 NH1 ARG A 56 -12.220 -0.476 -3.077 1.00 0.00 N ATOM 905 NH2 ARG A 56 -12.441 -1.065 -5.283 1.00 0.00 N ATOM 0 H ARG A 56 -7.961 -0.838 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.622 -3.647 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.025 -1.475 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.578 -3.146 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.020 -2.458 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.904 -3.604 -3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.161 -1.815 -2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.171 -0.590 -2.867 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.172 -2.022 -5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.671 -0.458 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.153 -0.064 -3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.063 -1.501 -6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.373 -0.652 -5.297 1.00 0.00 H new ATOM 919 N ASP A 57 -6.401 -2.629 1.195 1.00 0.00 N ATOM 920 CA ASP A 57 -5.250 -2.846 2.074 1.00 0.00 C ATOM 921 C ASP A 57 -5.123 -4.283 2.538 1.00 0.00 C ATOM 922 O ASP A 57 -6.040 -4.844 3.157 1.00 0.00 O ATOM 923 CB ASP A 57 -5.350 -1.912 3.275 1.00 0.00 C ATOM 924 CG ASP A 57 -4.123 -1.904 4.154 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.039 -1.017 5.042 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.237 -2.768 3.973 1.00 0.00 O ATOM 0 H ASP A 57 -6.983 -1.845 1.489 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.352 -2.627 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.535 -0.899 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.212 -2.201 3.876 1.00 0.00 H new ATOM 931 N TYR A 58 -3.995 -4.873 2.201 1.00 0.00 N ATOM 932 CA TYR A 58 -3.674 -6.218 2.593 1.00 0.00 C ATOM 933 C TYR A 58 -2.403 -6.233 3.470 1.00 0.00 C ATOM 934 O TYR A 58 -2.429 -6.657 4.613 1.00 0.00 O ATOM 935 CB TYR A 58 -3.487 -7.076 1.346 1.00 0.00 C ATOM 936 CG TYR A 58 -3.474 -8.573 1.591 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.529 -9.371 1.167 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.409 -9.187 2.227 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.516 -10.739 1.372 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.387 -10.546 2.440 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.441 -11.323 2.008 1.00 0.00 C ATOM 942 OH TYR A 58 -3.420 -12.689 2.216 1.00 0.00 O ATOM 0 H TYR A 58 -3.271 -4.422 1.641 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.492 -6.630 3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.287 -6.846 0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.550 -6.794 0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.373 -8.916 0.669 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.577 -8.586 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.343 -11.346 1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.548 -11.002 2.944 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.591 -12.937 2.676 1.00 0.00 H new ATOM 952 N LEU A 59 -1.284 -5.806 2.898 1.00 0.00 N ATOM 953 CA LEU A 59 -0.013 -5.786 3.626 1.00 0.00 C ATOM 954 C LEU A 59 0.157 -4.554 4.505 1.00 0.00 C ATOM 955 O LEU A 59 0.768 -4.629 5.565 1.00 0.00 O ATOM 956 CB LEU A 59 1.184 -5.899 2.674 1.00 0.00 C ATOM 957 CG LEU A 59 1.391 -7.247 1.966 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.341 -8.397 2.952 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.381 -7.447 0.845 1.00 0.00 C ATOM 0 H LEU A 59 -1.226 -5.470 1.937 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.043 -6.658 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.083 -5.128 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.088 -5.671 3.239 1.00 0.00 H new ATOM 0 HG LEU A 59 2.385 -7.232 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.491 -9.338 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.126 -8.272 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.370 -8.410 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.556 -8.410 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.628 -7.424 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.491 -6.650 0.110 1.00 0.00 H new ATOM 971 N LYS A 60 -0.375 -3.435 4.060 1.00 0.00 N ATOM 972 CA LYS A 60 -0.153 -2.158 4.734 1.00 0.00 C ATOM 973 C LYS A 60 -0.769 -2.140 6.141 1.00 0.00 C ATOM 974 O LYS A 60 -0.172 -1.610 7.078 1.00 0.00 O ATOM 975 CB LYS A 60 -0.707 -1.005 3.879 1.00 0.00 C ATOM 976 CG LYS A 60 -0.063 0.355 4.148 1.00 0.00 C ATOM 977 CD LYS A 60 1.420 0.368 3.774 1.00 0.00 C ATOM 978 CE LYS A 60 1.640 0.065 2.293 1.00 0.00 C ATOM 979 NZ LYS A 60 3.081 0.025 1.957 1.00 0.00 N ATOM 0 H LYS A 60 -0.968 -3.377 3.232 1.00 0.00 H new ATOM 0 HA LYS A 60 0.922 -2.025 4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.572 -1.254 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.780 -0.925 4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.587 1.124 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.174 0.607 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.845 1.343 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.952 -0.367 4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.180 -0.891 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.145 0.824 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.196 -0.013 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.547 0.878 2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.514 -0.818 2.385 1.00 0.00 H new ATOM 993 N PHE A 61 -1.952 -2.727 6.287 1.00 0.00 N ATOM 994 CA PHE A 61 -2.636 -2.761 7.579 1.00 0.00 C ATOM 995 C PHE A 61 -1.949 -3.719 8.544 1.00 0.00 C ATOM 996 O PHE A 61 -2.193 -3.683 9.751 1.00 0.00 O ATOM 997 CB PHE A 61 -4.137 -3.118 7.421 1.00 0.00 C ATOM 998 CG PHE A 61 -4.468 -4.597 7.330 1.00 0.00 C ATOM 999 CD1 PHE A 61 -4.665 -5.342 8.486 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.612 -5.233 6.102 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -4.993 -6.678 8.422 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -4.939 -6.577 6.042 1.00 0.00 C ATOM 1003 CZ PHE A 61 -5.130 -7.297 7.201 1.00 0.00 C ATOM 0 H PHE A 61 -2.458 -3.186 5.529 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.577 -1.758 8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.680 -2.697 8.267 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.513 -2.627 6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.559 -4.866 9.450 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.468 -4.675 5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.143 -7.241 9.332 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.045 -7.063 5.083 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.387 -8.345 7.151 1.00 0.00 H new