USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 546 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.739 K(o=-0.74,f=-1.9) USER MOD Single : A 18 TYR OH : rot 123:sc= -3.61! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 25 GLN : amide:sc= -3.04! C(o=-3!,f=-5.3!) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.4 F(o=-2.4,f=-1.4) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 95:sc= -0.182 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.718 K(o=-0.72,f=-2.2) USER MOD Single : B 18 TYR OH : rot 122:sc= -4.64! USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.233 USER MOD Single : B 25 GLN : amide:sc= -2.92! C(o=-2.9!,f=-5.1!) USER MOD Single : B 26 GLN :FLIP amide:sc= -1.44 F(o=-2.7,f=-1.4) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 96:sc= -0.181 USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 11 10.349 7.507 -4.526 1.00 10.00 N ATOM 152 CA LEU A 11 10.218 6.610 -3.339 1.00 10.00 C ATOM 153 C LEU A 11 9.263 5.452 -3.651 1.00 10.00 C ATOM 154 O LEU A 11 9.610 4.296 -3.518 1.00 10.00 O ATOM 155 CB LEU A 11 9.638 7.506 -2.241 1.00 10.00 C ATOM 156 CG LEU A 11 9.780 6.850 -0.857 1.00 10.00 C ATOM 157 CD1 LEU A 11 8.394 6.474 -0.328 1.00 10.00 C ATOM 158 CD2 LEU A 11 10.646 5.588 -0.942 1.00 10.00 C ATOM 0 HA LEU A 11 11.168 6.163 -3.047 1.00 10.00 H new ATOM 0 HB2 LEU A 11 10.150 8.468 -2.245 1.00 10.00 H new ATOM 0 HB3 LEU A 11 8.586 7.704 -2.447 1.00 10.00 H new ATOM 0 HG LEU A 11 10.259 7.560 -0.183 1.00 10.00 H new ATOM 0 HD11 LEU A 11 8.493 6.009 0.653 1.00 10.00 H new ATOM 0 HD12 LEU A 11 7.781 7.371 -0.244 1.00 10.00 H new ATOM 0 HD13 LEU A 11 7.920 5.774 -1.016 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.734 5.140 0.048 1.00 10.00 H new ATOM 0 HD22 LEU A 11 10.183 4.875 -1.624 1.00 10.00 H new ATOM 0 HD23 LEU A 11 11.638 5.851 -1.310 1.00 10.00 H new ATOM 170 N THR A 12 8.063 5.756 -4.068 1.00 10.00 N ATOM 171 CA THR A 12 7.090 4.672 -4.390 1.00 10.00 C ATOM 172 C THR A 12 7.544 3.911 -5.635 1.00 10.00 C ATOM 173 O THR A 12 7.925 2.759 -5.568 1.00 10.00 O ATOM 174 CB THR A 12 5.766 5.391 -4.653 1.00 10.00 C ATOM 175 OG1 THR A 12 5.284 5.948 -3.437 1.00 10.00 O ATOM 176 CG2 THR A 12 4.743 4.395 -5.202 1.00 10.00 C ATOM 0 H THR A 12 7.715 6.706 -4.199 1.00 10.00 H new ATOM 0 HA THR A 12 7.003 3.942 -3.585 1.00 10.00 H new ATOM 0 HB THR A 12 5.921 6.186 -5.382 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.436 6.411 -3.603 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.800 4.908 -5.389 1.00 10.00 H new ATOM 0 HG22 THR A 12 5.115 3.968 -6.133 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.585 3.598 -4.475 1.00 10.00 H new ATOM 184 N GLU A 13 7.501 4.550 -6.768 1.00 10.00 N ATOM 185 CA GLU A 13 7.926 3.876 -8.031 1.00 10.00 C ATOM 186 C GLU A 13 9.120 2.955 -7.767 1.00 10.00 C ATOM 187 O GLU A 13 9.148 1.819 -8.197 1.00 10.00 O ATOM 188 CB GLU A 13 8.328 5.013 -8.970 1.00 10.00 C ATOM 189 CG GLU A 13 7.300 5.133 -10.097 1.00 10.00 C ATOM 190 CD GLU A 13 7.912 5.904 -11.267 1.00 10.00 C ATOM 191 OE1 GLU A 13 8.029 7.114 -11.157 1.00 10.00 O ATOM 192 OE2 GLU A 13 8.254 5.273 -12.253 1.00 10.00 O ATOM 0 H GLU A 13 7.189 5.515 -6.878 1.00 10.00 H new ATOM 0 HA GLU A 13 7.134 3.256 -8.453 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.389 5.951 -8.418 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.318 4.823 -9.385 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.987 4.142 -10.425 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.408 5.646 -9.737 1.00 10.00 H new ATOM 199 N LEU A 14 10.105 3.436 -7.061 1.00 10.00 N ATOM 200 CA LEU A 14 11.295 2.588 -6.768 1.00 10.00 C ATOM 201 C LEU A 14 10.882 1.372 -5.934 1.00 10.00 C ATOM 202 O LEU A 14 11.114 0.241 -6.310 1.00 10.00 O ATOM 203 CB LEU A 14 12.236 3.490 -5.973 1.00 10.00 C ATOM 204 CG LEU A 14 12.976 4.424 -6.930 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.701 5.507 -6.129 1.00 10.00 C ATOM 206 CD2 LEU A 14 13.996 3.619 -7.737 1.00 10.00 C ATOM 0 H LEU A 14 10.138 4.379 -6.674 1.00 10.00 H new ATOM 0 HA LEU A 14 11.766 2.207 -7.674 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.671 4.072 -5.245 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.950 2.886 -5.413 1.00 10.00 H new ATOM 0 HG LEU A 14 12.261 4.891 -7.607 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.229 6.173 -6.812 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.975 6.080 -5.552 1.00 10.00 H new ATOM 0 HD13 LEU A 14 14.417 5.041 -5.452 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.525 4.283 -8.420 1.00 10.00 H new ATOM 0 HD22 LEU A 14 14.710 3.153 -7.059 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.480 2.847 -8.308 1.00 10.00 H new ATOM 218 N LEU A 15 10.269 1.599 -4.804 1.00 10.00 N ATOM 219 CA LEU A 15 9.843 0.456 -3.948 1.00 10.00 C ATOM 220 C LEU A 15 9.169 -0.620 -4.802 1.00 10.00 C ATOM 221 O LEU A 15 9.718 -1.679 -5.031 1.00 10.00 O ATOM 222 CB LEU A 15 8.844 1.054 -2.956 1.00 10.00 C ATOM 223 CG LEU A 15 9.225 0.637 -1.535 1.00 10.00 C ATOM 224 CD1 LEU A 15 9.465 -0.874 -1.492 1.00 10.00 C ATOM 225 CD2 LEU A 15 10.503 1.367 -1.117 1.00 10.00 C ATOM 0 H LEU A 15 10.045 2.524 -4.438 1.00 10.00 H new ATOM 0 HA LEU A 15 10.685 -0.018 -3.443 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.839 2.141 -3.039 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.835 0.712 -3.189 1.00 10.00 H new ATOM 0 HG LEU A 15 8.416 0.895 -0.851 1.00 10.00 H new ATOM 0 HD11 LEU A 15 9.737 -1.171 -0.479 1.00 10.00 H new ATOM 0 HD12 LEU A 15 8.556 -1.395 -1.791 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.274 -1.134 -2.175 1.00 10.00 H new ATOM 0 HD21 LEU A 15 10.776 1.071 -0.104 1.00 10.00 H new ATOM 0 HD22 LEU A 15 11.311 1.107 -1.801 1.00 10.00 H new ATOM 0 HD23 LEU A 15 10.334 2.443 -1.147 1.00 10.00 H new ATOM 237 N GLN A 16 7.982 -0.355 -5.278 1.00 10.00 N ATOM 238 CA GLN A 16 7.276 -1.362 -6.121 1.00 10.00 C ATOM 239 C GLN A 16 8.258 -2.000 -7.105 1.00 10.00 C ATOM 240 O GLN A 16 8.292 -3.203 -7.271 1.00 10.00 O ATOM 241 CB GLN A 16 6.201 -0.573 -6.868 1.00 10.00 C ATOM 242 CG GLN A 16 4.905 -0.579 -6.054 1.00 10.00 C ATOM 243 CD GLN A 16 5.213 -0.211 -4.601 1.00 10.00 C ATOM 244 OE1 GLN A 16 5.519 0.926 -4.300 1.00 10.00 O ATOM 245 NE2 GLN A 16 5.145 -1.134 -3.680 1.00 10.00 N ATOM 0 H GLN A 16 7.472 0.514 -5.120 1.00 10.00 H new ATOM 0 HA GLN A 16 6.846 -2.170 -5.530 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.535 0.451 -7.032 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.028 -1.013 -7.850 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.194 0.131 -6.477 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.439 -1.563 -6.100 1.00 10.00 H new ATOM 0 HE21 GLN A 16 4.888 -2.088 -3.932 1.00 10.00 H new ATOM 0 HE22 GLN A 16 5.349 -0.901 -2.708 1.00 10.00 H new ATOM 254 N GLY A 17 9.060 -1.203 -7.755 1.00 10.00 N ATOM 255 CA GLY A 17 10.042 -1.765 -8.724 1.00 10.00 C ATOM 256 C GLY A 17 10.948 -2.767 -8.008 1.00 10.00 C ATOM 257 O GLY A 17 11.188 -3.858 -8.488 1.00 10.00 O ATOM 0 H GLY A 17 9.078 -0.188 -7.657 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.519 -2.254 -9.546 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.640 -0.964 -9.158 1.00 10.00 H new ATOM 261 N TYR A 18 11.448 -2.414 -6.855 1.00 10.00 N ATOM 262 CA TYR A 18 12.327 -3.349 -6.114 1.00 10.00 C ATOM 263 C TYR A 18 11.486 -4.493 -5.538 1.00 10.00 C ATOM 264 O TYR A 18 11.841 -5.651 -5.637 1.00 10.00 O ATOM 265 CB TYR A 18 12.935 -2.492 -5.008 1.00 10.00 C ATOM 266 CG TYR A 18 12.945 -3.272 -3.729 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.742 -4.411 -3.623 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.158 -2.854 -2.659 1.00 10.00 C ATOM 269 CE1 TYR A 18 13.756 -5.142 -2.430 1.00 10.00 C ATOM 270 CE2 TYR A 18 12.165 -3.582 -1.463 1.00 10.00 C ATOM 271 CZ TYR A 18 12.967 -4.727 -1.347 1.00 10.00 C ATOM 272 OH TYR A 18 12.978 -5.447 -0.169 1.00 10.00 O ATOM 0 H TYR A 18 11.283 -1.517 -6.398 1.00 10.00 H new ATOM 0 HA TYR A 18 13.095 -3.810 -6.735 1.00 10.00 H new ATOM 0 HB2 TYR A 18 13.950 -2.197 -5.276 1.00 10.00 H new ATOM 0 HB3 TYR A 18 12.359 -1.575 -4.884 1.00 10.00 H new ATOM 0 HD1 TYR A 18 14.347 -4.728 -4.460 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.544 -1.971 -2.751 1.00 10.00 H new ATOM 0 HE1 TYR A 18 14.373 -6.024 -2.343 1.00 10.00 H new ATOM 0 HE2 TYR A 18 11.554 -3.263 -0.632 1.00 10.00 H new ATOM 0 HH TYR A 18 13.238 -4.860 0.571 1.00 10.00 H new ATOM 282 N THR A 19 10.367 -4.176 -4.945 1.00 10.00 N ATOM 283 CA THR A 19 9.496 -5.242 -4.374 1.00 10.00 C ATOM 284 C THR A 19 9.095 -6.224 -5.479 1.00 10.00 C ATOM 285 O THR A 19 8.893 -7.397 -5.238 1.00 10.00 O ATOM 286 CB THR A 19 8.273 -4.496 -3.824 1.00 10.00 C ATOM 287 OG1 THR A 19 8.385 -4.388 -2.413 1.00 10.00 O ATOM 288 CG2 THR A 19 6.990 -5.254 -4.177 1.00 10.00 C ATOM 0 H THR A 19 10.018 -3.224 -4.831 1.00 10.00 H new ATOM 0 HA THR A 19 9.990 -5.825 -3.597 1.00 10.00 H new ATOM 0 HB THR A 19 8.231 -3.502 -4.269 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.606 -3.910 -2.059 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.129 -4.715 -3.782 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.901 -5.335 -5.260 1.00 10.00 H new ATOM 0 HG23 THR A 19 7.025 -6.252 -3.741 1.00 10.00 H new ATOM 296 N VAL A 20 8.982 -5.750 -6.690 1.00 10.00 N ATOM 297 CA VAL A 20 8.599 -6.654 -7.812 1.00 10.00 C ATOM 298 C VAL A 20 9.768 -7.579 -8.161 1.00 10.00 C ATOM 299 O VAL A 20 9.577 -8.692 -8.605 1.00 10.00 O ATOM 300 CB VAL A 20 8.277 -5.725 -8.982 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.057 -6.557 -10.247 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.005 -4.933 -8.668 1.00 10.00 C ATOM 0 H VAL A 20 9.138 -4.776 -6.951 1.00 10.00 H new ATOM 0 HA VAL A 20 7.752 -7.292 -7.560 1.00 10.00 H new ATOM 0 HB VAL A 20 9.107 -5.036 -9.138 1.00 10.00 H new ATOM 0 HG11 VAL A 20 7.827 -5.895 -11.082 1.00 10.00 H new ATOM 0 HG12 VAL A 20 8.960 -7.124 -10.471 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.226 -7.245 -10.090 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.774 -4.270 -9.502 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.176 -5.623 -8.513 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.158 -4.341 -7.766 1.00 10.00 H new ATOM 312 N GLU A 21 10.977 -7.130 -7.952 1.00 10.00 N ATOM 313 CA GLU A 21 12.151 -8.003 -8.265 1.00 10.00 C ATOM 314 C GLU A 21 12.248 -9.109 -7.217 1.00 10.00 C ATOM 315 O GLU A 21 12.751 -10.184 -7.470 1.00 10.00 O ATOM 316 CB GLU A 21 13.400 -7.114 -8.190 1.00 10.00 C ATOM 317 CG GLU A 21 13.024 -5.653 -8.406 1.00 10.00 C ATOM 318 CD GLU A 21 14.210 -4.902 -9.016 1.00 10.00 C ATOM 319 OE1 GLU A 21 15.321 -5.393 -8.897 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.987 -3.850 -9.591 1.00 10.00 O ATOM 0 H GLU A 21 11.204 -6.207 -7.582 1.00 10.00 H new ATOM 0 HA GLU A 21 12.054 -8.460 -9.250 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.881 -7.233 -7.219 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.122 -7.426 -8.944 1.00 10.00 H new ATOM 0 HG2 GLU A 21 12.159 -5.583 -9.065 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.740 -5.196 -7.458 1.00 10.00 H new ATOM 327 N VAL A 22 11.767 -8.839 -6.038 1.00 10.00 N ATOM 328 CA VAL A 22 11.824 -9.856 -4.952 1.00 10.00 C ATOM 329 C VAL A 22 10.785 -10.950 -5.208 1.00 10.00 C ATOM 330 O VAL A 22 11.007 -12.109 -4.920 1.00 10.00 O ATOM 331 CB VAL A 22 11.500 -9.087 -3.668 1.00 10.00 C ATOM 332 CG1 VAL A 22 12.132 -9.802 -2.478 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.070 -7.666 -3.755 1.00 10.00 C ATOM 0 H VAL A 22 11.334 -7.953 -5.777 1.00 10.00 H new ATOM 0 HA VAL A 22 12.795 -10.348 -4.891 1.00 10.00 H new ATOM 0 HB VAL A 22 10.418 -9.039 -3.543 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.903 -9.257 -1.562 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.733 -10.814 -2.407 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.213 -9.847 -2.613 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.836 -7.124 -2.839 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.151 -7.715 -3.882 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.628 -7.148 -4.606 1.00 10.00 H new ATOM 343 N LEU A 23A 9.656 -10.592 -5.754 1.00 10.00 N ATOM 344 CA LEU A 23A 8.608 -11.615 -6.035 1.00 10.00 C ATOM 345 C LEU A 23A 8.890 -12.294 -7.379 1.00 10.00 C ATOM 346 O LEU A 23A 8.381 -13.358 -7.668 1.00 10.00 O ATOM 347 CB LEU A 23A 7.295 -10.834 -6.090 1.00 10.00 C ATOM 348 CG LEU A 23A 7.085 -10.092 -4.770 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.766 -9.319 -4.820 1.00 10.00 C ATOM 350 CD2 LEU A 23A 7.038 -11.103 -3.621 1.00 10.00 C ATOM 0 H LEU A 23A 9.413 -9.637 -6.018 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.579 -12.400 -5.280 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.316 -10.125 -6.918 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 6.463 -11.514 -6.273 1.00 10.00 H new ATOM 0 HG LEU A 23A 7.908 -9.395 -4.611 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.618 -8.791 -3.878 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 5.797 -8.600 -5.639 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 4.942 -10.015 -4.979 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 6.888 -10.576 -2.679 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 6.215 -11.799 -3.782 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 7.977 -11.655 -3.583 1.00 10.00 H new ATOM 362 N ARG A 24 9.699 -11.681 -8.201 1.00 10.00 N ATOM 363 CA ARG A 24 10.019 -12.287 -9.526 1.00 10.00 C ATOM 364 C ARG A 24 11.279 -13.148 -9.422 1.00 10.00 C ATOM 365 O ARG A 24 11.234 -14.354 -9.564 1.00 10.00 O ATOM 366 CB ARG A 24 10.258 -11.098 -10.457 1.00 10.00 C ATOM 367 CG ARG A 24 9.183 -11.074 -11.545 1.00 10.00 C ATOM 368 CD ARG A 24 9.726 -11.735 -12.813 1.00 10.00 C ATOM 369 NE ARG A 24 8.547 -11.864 -13.714 1.00 10.00 N ATOM 370 CZ ARG A 24 7.840 -10.810 -14.018 1.00 10.00 C ATOM 371 NH1 ARG A 24 8.427 -9.657 -14.187 1.00 10.00 N ATOM 372 NH2 ARG A 24 6.546 -10.910 -14.154 1.00 10.00 N ATOM 0 H ARG A 24 10.152 -10.787 -8.012 1.00 10.00 H new ATOM 0 HA ARG A 24 9.221 -12.935 -9.888 1.00 10.00 H new ATOM 0 HB2 ARG A 24 10.235 -10.168 -9.889 1.00 10.00 H new ATOM 0 HB3 ARG A 24 11.247 -11.171 -10.910 1.00 10.00 H new ATOM 0 HG2 ARG A 24 8.291 -11.599 -11.202 1.00 10.00 H new ATOM 0 HG3 ARG A 24 8.887 -10.046 -11.756 1.00 10.00 H new ATOM 0 HD2 ARG A 24 10.508 -11.129 -13.270 1.00 10.00 H new ATOM 0 HD3 ARG A 24 10.164 -12.709 -12.594 1.00 10.00 H new ATOM 0 HE ARG A 24 8.292 -12.776 -14.093 1.00 10.00 H new ATOM 0 HH11 ARG A 24 9.439 -9.579 -14.082 1.00 10.00 H new ATOM 0 HH12 ARG A 24 7.874 -8.833 -14.425 1.00 10.00 H new ATOM 0 HH21 ARG A 24 6.088 -11.812 -14.023 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.993 -10.086 -14.392 1.00 10.00 H new ATOM 386 N GLN A 25 12.407 -12.537 -9.175 1.00 10.00 N ATOM 387 CA GLN A 25 13.670 -13.319 -9.063 1.00 10.00 C ATOM 388 C GLN A 25 13.785 -13.942 -7.667 1.00 10.00 C ATOM 389 O GLN A 25 14.493 -14.909 -7.466 1.00 10.00 O ATOM 390 CB GLN A 25 14.788 -12.297 -9.308 1.00 10.00 C ATOM 391 CG GLN A 25 15.432 -11.890 -7.979 1.00 10.00 C ATOM 392 CD GLN A 25 16.550 -10.879 -8.241 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.303 -9.693 -8.330 1.00 10.00 O ATOM 394 NE2 GLN A 25 17.778 -11.301 -8.371 1.00 10.00 N ATOM 0 H GLN A 25 12.507 -11.530 -9.046 1.00 10.00 H new ATOM 0 HA GLN A 25 13.716 -14.144 -9.774 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.542 -12.723 -9.970 1.00 10.00 H new ATOM 0 HB3 GLN A 25 14.384 -11.418 -9.809 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.682 -11.456 -7.318 1.00 10.00 H new ATOM 0 HG3 GLN A 25 15.833 -12.768 -7.473 1.00 10.00 H new ATOM 0 HE21 GLN A 25 17.986 -12.297 -8.296 1.00 10.00 H new ATOM 0 HE22 GLN A 25 18.530 -10.635 -8.547 1.00 10.00 H new ATOM 403 N GLN A 26 13.099 -13.390 -6.703 1.00 10.00 N ATOM 404 CA GLN A 26 13.171 -13.946 -5.321 1.00 10.00 C ATOM 405 C GLN A 26 14.613 -14.334 -4.987 1.00 10.00 C ATOM 406 O GLN A 26 14.990 -15.485 -5.096 1.00 10.00 O ATOM 407 CB GLN A 26 12.270 -15.183 -5.339 1.00 10.00 C ATOM 408 CG GLN A 26 11.031 -14.931 -4.476 1.00 10.00 C ATOM 409 CD GLN A 26 11.455 -14.344 -3.128 1.00 10.00 C ATOM 410 OE1 GLN A 26 12.607 -14.680 -2.616 1.00 10.00 O flip ATOM 411 NE2 GLN A 26 10.729 -13.570 -2.534 1.00 10.00 N flip ATOM 0 H GLN A 26 12.492 -12.578 -6.813 1.00 10.00 H new ATOM 0 HA GLN A 26 12.852 -13.226 -4.568 1.00 10.00 H new ATOM 0 HB2 GLN A 26 11.972 -15.413 -6.362 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.816 -16.048 -4.964 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.354 -14.246 -4.986 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.486 -15.863 -4.323 1.00 10.00 H new ATOM 0 HE21 GLN A 26 9.828 -13.307 -2.934 1.00 10.00 H new ATOM 0 HE22 GLN A 26 11.021 -13.184 -1.636 1.00 10.00 H new ATOM 420 N PRO A 27 15.377 -13.351 -4.595 1.00 10.00 N ATOM 421 CA PRO A 27 16.799 -13.578 -4.246 1.00 10.00 C ATOM 422 C PRO A 27 16.914 -14.376 -2.944 1.00 10.00 C ATOM 423 O PRO A 27 15.932 -14.607 -2.267 1.00 10.00 O ATOM 424 CB PRO A 27 17.355 -12.167 -4.072 1.00 10.00 C ATOM 425 CG PRO A 27 16.167 -11.331 -3.732 1.00 10.00 C ATOM 426 CD PRO A 27 14.992 -11.946 -4.442 1.00 10.00 C ATOM 0 HA PRO A 27 17.337 -14.153 -4.999 1.00 10.00 H new ATOM 0 HB2 PRO A 27 18.104 -12.131 -3.281 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.838 -11.816 -4.984 1.00 10.00 H new ATOM 0 HG2 PRO A 27 16.002 -11.312 -2.655 1.00 10.00 H new ATOM 0 HG3 PRO A 27 16.315 -10.299 -4.050 1.00 10.00 H new ATOM 0 HD2 PRO A 27 14.075 -11.843 -3.862 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.814 -11.472 -5.407 1.00 10.00 H new ATOM 434 N PRO A 28 18.120 -14.767 -2.640 1.00 10.00 N ATOM 435 CA PRO A 28 18.384 -15.549 -1.408 1.00 10.00 C ATOM 436 C PRO A 28 18.189 -14.676 -0.166 1.00 10.00 C ATOM 437 O PRO A 28 17.575 -15.082 0.801 1.00 10.00 O ATOM 438 CB PRO A 28 19.844 -15.972 -1.556 1.00 10.00 C ATOM 439 CG PRO A 28 20.442 -14.954 -2.472 1.00 10.00 C ATOM 440 CD PRO A 28 19.344 -14.524 -3.407 1.00 10.00 C ATOM 0 HA PRO A 28 17.711 -16.398 -1.288 1.00 10.00 H new ATOM 0 HB2 PRO A 28 20.352 -15.985 -0.592 1.00 10.00 H new ATOM 0 HB3 PRO A 28 19.925 -16.976 -1.972 1.00 10.00 H new ATOM 0 HG2 PRO A 28 20.827 -14.104 -1.909 1.00 10.00 H new ATOM 0 HG3 PRO A 28 21.281 -15.376 -3.026 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.442 -13.474 -3.683 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.358 -15.100 -4.332 1.00 10.00 H new ATOM 448 N ASP A 29 18.708 -13.479 -0.186 1.00 10.00 N ATOM 449 CA ASP A 29 18.554 -12.579 0.993 1.00 10.00 C ATOM 450 C ASP A 29 18.016 -11.217 0.546 1.00 10.00 C ATOM 451 O ASP A 29 18.585 -10.563 -0.305 1.00 10.00 O ATOM 452 CB ASP A 29 19.962 -12.438 1.569 1.00 10.00 C ATOM 453 CG ASP A 29 20.565 -13.827 1.788 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.974 -14.434 0.813 1.00 10.00 O ATOM 455 OD2 ASP A 29 20.608 -14.258 2.928 1.00 10.00 O ATOM 0 H ASP A 29 19.232 -13.085 -0.967 1.00 10.00 H new ATOM 0 HA ASP A 29 17.852 -12.973 1.728 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.589 -11.861 0.889 1.00 10.00 H new ATOM 0 HB3 ASP A 29 19.928 -11.892 2.512 1.00 10.00 H new ATOM 460 N LEU A 30 16.923 -10.786 1.113 1.00 10.00 N ATOM 461 CA LEU A 30 16.350 -9.466 0.719 1.00 10.00 C ATOM 462 C LEU A 30 17.248 -8.332 1.215 1.00 10.00 C ATOM 463 O LEU A 30 17.864 -7.632 0.437 1.00 10.00 O ATOM 464 CB LEU A 30 14.987 -9.407 1.411 1.00 10.00 C ATOM 465 CG LEU A 30 13.914 -8.943 0.423 1.00 10.00 C ATOM 466 CD1 LEU A 30 12.743 -8.340 1.199 1.00 10.00 C ATOM 467 CD2 LEU A 30 14.495 -7.884 -0.517 1.00 10.00 C ATOM 0 H LEU A 30 16.402 -11.289 1.831 1.00 10.00 H new ATOM 0 HA LEU A 30 16.267 -9.357 -0.362 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.728 -10.390 1.806 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.031 -8.724 2.259 1.00 10.00 H new ATOM 0 HG LEU A 30 13.572 -9.795 -0.164 1.00 10.00 H new ATOM 0 HD11 LEU A 30 11.976 -8.008 0.500 1.00 10.00 H new ATOM 0 HD12 LEU A 30 12.324 -9.092 1.867 1.00 10.00 H new ATOM 0 HD13 LEU A 30 13.094 -7.490 1.784 1.00 10.00 H new ATOM 0 HD21 LEU A 30 13.726 -7.558 -1.218 1.00 10.00 H new ATOM 0 HD22 LEU A 30 14.840 -7.030 0.066 1.00 10.00 H new ATOM 0 HD23 LEU A 30 15.333 -8.309 -1.070 1.00 10.00 H new ATOM 479 N VAL A 31 17.322 -8.146 2.508 1.00 10.00 N ATOM 480 CA VAL A 31 18.178 -7.057 3.071 1.00 10.00 C ATOM 481 C VAL A 31 19.336 -6.749 2.123 1.00 10.00 C ATOM 482 O VAL A 31 19.467 -5.654 1.615 1.00 10.00 O ATOM 483 CB VAL A 31 18.717 -7.616 4.387 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.325 -6.480 5.213 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.577 -8.262 5.175 1.00 10.00 C ATOM 0 H VAL A 31 16.824 -8.704 3.202 1.00 10.00 H new ATOM 0 HA VAL A 31 17.620 -6.131 3.212 1.00 10.00 H new ATOM 0 HB VAL A 31 19.482 -8.364 4.176 1.00 10.00 H new ATOM 0 HG11 VAL A 31 19.710 -6.878 6.152 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.139 -6.019 4.654 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.560 -5.733 5.422 1.00 10.00 H new ATOM 0 HG21 VAL A 31 17.963 -8.660 6.113 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.811 -7.515 5.385 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.143 -9.072 4.589 1.00 10.00 H new ATOM 495 N ASP A 32 20.173 -7.715 1.882 1.00 10.00 N ATOM 496 CA ASP A 32 21.324 -7.500 0.967 1.00 10.00 C ATOM 497 C ASP A 32 20.818 -7.173 -0.440 1.00 10.00 C ATOM 498 O ASP A 32 21.265 -6.231 -1.066 1.00 10.00 O ATOM 499 CB ASP A 32 22.075 -8.829 0.983 1.00 10.00 C ATOM 500 CG ASP A 32 23.574 -8.575 0.816 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.965 -7.420 0.823 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.306 -9.542 0.685 1.00 10.00 O ATOM 0 H ASP A 32 20.109 -8.651 2.282 1.00 10.00 H new ATOM 0 HA ASP A 32 21.960 -6.669 1.271 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.887 -9.353 1.920 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.713 -9.472 0.180 1.00 10.00 H new ATOM 507 N PHE A 33 19.881 -7.933 -0.938 1.00 10.00 N ATOM 508 CA PHE A 33 19.345 -7.647 -2.298 1.00 10.00 C ATOM 509 C PHE A 33 18.734 -6.246 -2.321 1.00 10.00 C ATOM 510 O PHE A 33 19.101 -5.409 -3.123 1.00 10.00 O ATOM 511 CB PHE A 33 18.270 -8.704 -2.545 1.00 10.00 C ATOM 512 CG PHE A 33 17.594 -8.425 -3.866 1.00 10.00 C ATOM 513 CD1 PHE A 33 18.304 -8.585 -5.062 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.259 -8.005 -3.894 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.679 -8.325 -6.288 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.633 -7.746 -5.121 1.00 10.00 C ATOM 517 CZ PHE A 33 16.343 -7.906 -6.317 1.00 10.00 C ATOM 0 H PHE A 33 19.466 -8.735 -0.465 1.00 10.00 H new ATOM 0 HA PHE A 33 20.119 -7.681 -3.065 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.716 -9.698 -2.554 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.537 -8.691 -1.738 1.00 10.00 H new ATOM 0 HD1 PHE A 33 19.334 -8.909 -5.039 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.712 -7.881 -2.971 1.00 10.00 H new ATOM 0 HE1 PHE A 33 18.227 -8.448 -7.211 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.603 -7.423 -5.144 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.860 -7.706 -7.262 1.00 10.00 H new ATOM 527 N ALA A 34 17.809 -5.980 -1.438 1.00 10.00 N ATOM 528 CA ALA A 34 17.183 -4.630 -1.401 1.00 10.00 C ATOM 529 C ALA A 34 18.269 -3.562 -1.253 1.00 10.00 C ATOM 530 O ALA A 34 18.098 -2.426 -1.650 1.00 10.00 O ATOM 531 CB ALA A 34 16.276 -4.648 -0.169 1.00 10.00 C ATOM 0 H ALA A 34 17.461 -6.640 -0.742 1.00 10.00 H new ATOM 0 HA ALA A 34 16.626 -4.401 -2.310 1.00 10.00 H new ATOM 0 HB1 ALA A 34 15.776 -3.684 -0.071 1.00 10.00 H new ATOM 0 HB2 ALA A 34 15.529 -5.435 -0.278 1.00 10.00 H new ATOM 0 HB3 ALA A 34 16.875 -4.838 0.721 1.00 10.00 H new ATOM 537 N VAL A 35 19.390 -3.922 -0.687 1.00 10.00 N ATOM 538 CA VAL A 35 20.490 -2.941 -0.515 1.00 10.00 C ATOM 539 C VAL A 35 21.316 -2.861 -1.802 1.00 10.00 C ATOM 540 O VAL A 35 21.625 -1.791 -2.290 1.00 10.00 O ATOM 541 CB VAL A 35 21.318 -3.506 0.639 1.00 10.00 C ATOM 542 CG1 VAL A 35 22.778 -3.090 0.481 1.00 10.00 C ATOM 543 CG2 VAL A 35 20.775 -2.970 1.963 1.00 10.00 C ATOM 0 H VAL A 35 19.588 -4.859 -0.336 1.00 10.00 H new ATOM 0 HA VAL A 35 20.139 -1.930 -0.307 1.00 10.00 H new ATOM 0 HB VAL A 35 21.253 -4.594 0.630 1.00 10.00 H new ATOM 0 HG11 VAL A 35 23.363 -3.496 1.306 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.166 -3.475 -0.462 1.00 10.00 H new ATOM 0 HG13 VAL A 35 22.849 -2.002 0.486 1.00 10.00 H new ATOM 0 HG21 VAL A 35 21.364 -3.372 2.787 1.00 10.00 H new ATOM 0 HG22 VAL A 35 20.838 -1.882 1.968 1.00 10.00 H new ATOM 0 HG23 VAL A 35 19.735 -3.273 2.079 1.00 10.00 H new ATOM 553 N GLU A 36 21.668 -3.988 -2.357 1.00 10.00 N ATOM 554 CA GLU A 36 22.467 -3.984 -3.616 1.00 10.00 C ATOM 555 C GLU A 36 21.705 -3.232 -4.712 1.00 10.00 C ATOM 556 O GLU A 36 22.273 -2.461 -5.461 1.00 10.00 O ATOM 557 CB GLU A 36 22.640 -5.465 -3.978 1.00 10.00 C ATOM 558 CG GLU A 36 21.819 -5.805 -5.226 1.00 10.00 C ATOM 559 CD GLU A 36 22.123 -7.238 -5.664 1.00 10.00 C ATOM 560 OE1 GLU A 36 22.736 -7.956 -4.891 1.00 10.00 O ATOM 561 OE2 GLU A 36 21.739 -7.594 -6.766 1.00 10.00 O ATOM 0 H GLU A 36 21.437 -4.912 -1.993 1.00 10.00 H new ATOM 0 HA GLU A 36 23.430 -3.485 -3.504 1.00 10.00 H new ATOM 0 HB2 GLU A 36 23.693 -5.682 -4.156 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.322 -6.090 -3.144 1.00 10.00 H new ATOM 0 HG2 GLU A 36 20.755 -5.696 -5.015 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.057 -5.110 -6.031 1.00 10.00 H new ATOM 568 N TYR A 37 20.422 -3.451 -4.810 1.00 10.00 N ATOM 569 CA TYR A 37 19.622 -2.750 -5.853 1.00 10.00 C ATOM 570 C TYR A 37 19.611 -1.246 -5.578 1.00 10.00 C ATOM 571 O TYR A 37 20.176 -0.465 -6.315 1.00 10.00 O ATOM 572 CB TYR A 37 18.214 -3.332 -5.728 1.00 10.00 C ATOM 573 CG TYR A 37 17.297 -2.650 -6.716 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.541 -2.760 -8.090 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.201 -1.908 -6.257 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.689 -2.130 -9.005 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.350 -1.278 -7.172 1.00 10.00 C ATOM 578 CZ TYR A 37 15.594 -1.388 -8.546 1.00 10.00 C ATOM 579 OH TYR A 37 14.755 -0.766 -9.448 1.00 10.00 O ATOM 0 H TYR A 37 19.893 -4.086 -4.212 1.00 10.00 H new ATOM 0 HA TYR A 37 20.029 -2.888 -6.855 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.235 -4.405 -5.916 1.00 10.00 H new ATOM 0 HB3 TYR A 37 17.840 -3.193 -4.713 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.387 -3.331 -8.444 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.013 -1.822 -5.197 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.876 -2.216 -10.065 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.505 -0.707 -6.818 1.00 10.00 H new ATOM 0 HH TYR A 37 14.045 -0.295 -8.963 1.00 10.00 H new ATOM 589 N PHE A 38 18.974 -0.835 -4.516 1.00 10.00 N ATOM 590 CA PHE A 38 18.928 0.618 -4.189 1.00 10.00 C ATOM 591 C PHE A 38 20.335 1.218 -4.248 1.00 10.00 C ATOM 592 O PHE A 38 20.552 2.261 -4.831 1.00 10.00 O ATOM 593 CB PHE A 38 18.374 0.684 -2.767 1.00 10.00 C ATOM 594 CG PHE A 38 16.867 0.728 -2.816 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.219 1.698 -3.591 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.115 -0.203 -2.087 1.00 10.00 C ATOM 597 CE1 PHE A 38 14.820 1.738 -3.637 1.00 10.00 C ATOM 598 CE2 PHE A 38 14.716 -0.163 -2.133 1.00 10.00 C ATOM 599 CZ PHE A 38 14.069 0.808 -2.907 1.00 10.00 C ATOM 0 H PHE A 38 18.483 -1.443 -3.860 1.00 10.00 H new ATOM 0 HA PHE A 38 18.315 1.182 -4.892 1.00 10.00 H new ATOM 0 HB2 PHE A 38 18.705 -0.183 -2.196 1.00 10.00 H new ATOM 0 HB3 PHE A 38 18.758 1.567 -2.256 1.00 10.00 H new ATOM 0 HD1 PHE A 38 16.798 2.415 -4.153 1.00 10.00 H new ATOM 0 HD2 PHE A 38 16.614 -0.951 -1.490 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.320 2.486 -4.235 1.00 10.00 H new ATOM 0 HE2 PHE A 38 14.136 -0.881 -1.572 1.00 10.00 H new ATOM 0 HZ PHE A 38 12.990 0.840 -2.941 1.00 10.00 H new ATOM 609 N THR A 39 21.294 0.568 -3.645 1.00 10.00 N ATOM 610 CA THR A 39 22.685 1.104 -3.665 1.00 10.00 C ATOM 611 C THR A 39 23.138 1.335 -5.109 1.00 10.00 C ATOM 612 O THR A 39 23.803 2.305 -5.413 1.00 10.00 O ATOM 613 CB THR A 39 23.537 0.023 -2.997 1.00 10.00 C ATOM 614 OG1 THR A 39 23.352 0.081 -1.589 1.00 10.00 O ATOM 615 CG2 THR A 39 25.012 0.253 -3.329 1.00 10.00 C ATOM 0 H THR A 39 21.174 -0.310 -3.140 1.00 10.00 H new ATOM 0 HA THR A 39 22.769 2.061 -3.149 1.00 10.00 H new ATOM 0 HB THR A 39 23.234 -0.957 -3.365 1.00 10.00 H new ATOM 0 HG1 THR A 39 22.654 -0.554 -1.324 1.00 10.00 H new ATOM 0 HG21 THR A 39 25.617 -0.518 -2.852 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.153 0.209 -4.409 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.319 1.233 -2.963 1.00 10.00 H new ATOM 623 N ARG A 40 22.782 0.453 -6.002 1.00 10.00 N ATOM 624 CA ARG A 40 23.192 0.629 -7.425 1.00 10.00 C ATOM 625 C ARG A 40 22.516 1.870 -8.015 1.00 10.00 C ATOM 626 O ARG A 40 23.086 2.573 -8.825 1.00 10.00 O ATOM 627 CB ARG A 40 22.711 -0.635 -8.138 1.00 10.00 C ATOM 628 CG ARG A 40 23.475 -0.801 -9.452 1.00 10.00 C ATOM 629 CD ARG A 40 23.014 -2.081 -10.152 1.00 10.00 C ATOM 630 NE ARG A 40 23.649 -2.031 -11.498 1.00 10.00 N ATOM 631 CZ ARG A 40 23.152 -1.261 -12.425 1.00 10.00 C ATOM 632 NH1 ARG A 40 21.859 -1.175 -12.577 1.00 10.00 N ATOM 633 NH2 ARG A 40 23.946 -0.575 -13.200 1.00 10.00 N ATOM 0 H ARG A 40 22.226 -0.380 -5.809 1.00 10.00 H new ATOM 0 HA ARG A 40 24.268 0.769 -7.532 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.867 -1.506 -7.502 1.00 10.00 H new ATOM 0 HB3 ARG A 40 21.641 -0.570 -8.333 1.00 10.00 H new ATOM 0 HG2 ARG A 40 23.303 0.061 -10.097 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.547 -0.845 -9.259 1.00 10.00 H new ATOM 0 HD2 ARG A 40 23.327 -2.968 -9.600 1.00 10.00 H new ATOM 0 HD3 ARG A 40 21.927 -2.120 -10.229 1.00 10.00 H new ATOM 0 HE ARG A 40 24.473 -2.599 -11.695 1.00 10.00 H new ATOM 0 HH11 ARG A 40 21.237 -1.710 -11.971 1.00 10.00 H new ATOM 0 HH12 ARG A 40 21.470 -0.573 -13.302 1.00 10.00 H new ATOM 0 HH21 ARG A 40 24.957 -0.641 -13.081 1.00 10.00 H new ATOM 0 HH22 ARG A 40 23.556 0.027 -13.925 1.00 10.00 H new ATOM 647 N LEU A 41 21.306 2.146 -7.610 1.00 10.00 N ATOM 648 CA LEU A 41 20.596 3.343 -8.148 1.00 10.00 C ATOM 649 C LEU A 41 21.316 4.621 -7.708 1.00 10.00 C ATOM 650 O LEU A 41 21.487 5.545 -8.479 1.00 10.00 O ATOM 651 CB LEU A 41 19.195 3.278 -7.540 1.00 10.00 C ATOM 652 CG LEU A 41 18.276 2.480 -8.465 1.00 10.00 C ATOM 653 CD1 LEU A 41 18.856 1.080 -8.677 1.00 10.00 C ATOM 654 CD2 LEU A 41 16.889 2.365 -7.828 1.00 10.00 C ATOM 0 H LEU A 41 20.779 1.596 -6.932 1.00 10.00 H new ATOM 0 HA LEU A 41 20.565 3.354 -9.238 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.235 2.810 -6.557 1.00 10.00 H new ATOM 0 HB3 LEU A 41 18.801 4.284 -7.398 1.00 10.00 H new ATOM 0 HG LEU A 41 18.195 2.989 -9.425 1.00 10.00 H new ATOM 0 HD11 LEU A 41 18.201 0.511 -9.336 1.00 10.00 H new ATOM 0 HD12 LEU A 41 19.845 1.160 -9.129 1.00 10.00 H new ATOM 0 HD13 LEU A 41 18.936 0.570 -7.717 1.00 10.00 H new ATOM 0 HD21 LEU A 41 16.232 1.796 -8.486 1.00 10.00 H new ATOM 0 HD22 LEU A 41 16.971 1.855 -6.868 1.00 10.00 H new ATOM 0 HD23 LEU A 41 16.475 3.362 -7.675 1.00 10.00 H new ATOM 666 N ARG A 42 21.742 4.680 -6.475 1.00 10.00 N ATOM 667 CA ARG A 42 22.452 5.898 -5.991 1.00 10.00 C ATOM 668 C ARG A 42 23.800 6.032 -6.706 1.00 10.00 C ATOM 669 O ARG A 42 24.340 7.112 -6.841 1.00 10.00 O ATOM 670 CB ARG A 42 22.632 5.673 -4.482 1.00 10.00 C ATOM 671 CG ARG A 42 24.102 5.388 -4.154 1.00 10.00 C ATOM 672 CD ARG A 42 24.857 6.710 -3.997 1.00 10.00 C ATOM 673 NE ARG A 42 26.078 6.558 -4.836 1.00 10.00 N ATOM 674 CZ ARG A 42 27.255 6.800 -4.326 1.00 10.00 C ATOM 675 NH1 ARG A 42 27.812 5.931 -3.527 1.00 10.00 N ATOM 676 NH2 ARG A 42 27.874 7.913 -4.615 1.00 10.00 N ATOM 0 H ARG A 42 21.629 3.939 -5.783 1.00 10.00 H new ATOM 0 HA ARG A 42 21.904 6.819 -6.192 1.00 10.00 H new ATOM 0 HB2 ARG A 42 22.295 6.553 -3.934 1.00 10.00 H new ATOM 0 HB3 ARG A 42 22.012 4.838 -4.156 1.00 10.00 H new ATOM 0 HG2 ARG A 42 24.174 4.805 -3.236 1.00 10.00 H new ATOM 0 HG3 ARG A 42 24.553 4.791 -4.947 1.00 10.00 H new ATOM 0 HD2 ARG A 42 24.251 7.553 -4.331 1.00 10.00 H new ATOM 0 HD3 ARG A 42 25.115 6.896 -2.954 1.00 10.00 H new ATOM 0 HE ARG A 42 25.995 6.265 -5.809 1.00 10.00 H new ATOM 0 HH11 ARG A 42 27.328 5.062 -3.301 1.00 10.00 H new ATOM 0 HH12 ARG A 42 28.732 6.121 -3.129 1.00 10.00 H new ATOM 0 HH21 ARG A 42 27.438 8.592 -5.239 1.00 10.00 H new ATOM 0 HH22 ARG A 42 28.794 8.103 -4.217 1.00 10.00 H new ATOM 690 N GLU A 43 24.342 4.939 -7.169 1.00 10.00 N ATOM 691 CA GLU A 43 25.650 4.990 -7.882 1.00 10.00 C ATOM 692 C GLU A 43 25.410 5.056 -9.394 1.00 10.00 C ATOM 693 O GLU A 43 26.317 5.290 -10.168 1.00 10.00 O ATOM 694 CB GLU A 43 26.357 3.688 -7.485 1.00 10.00 C ATOM 695 CG GLU A 43 27.125 3.111 -8.678 1.00 10.00 C ATOM 696 CD GLU A 43 28.353 3.976 -8.966 1.00 10.00 C ATOM 697 OE1 GLU A 43 28.426 5.067 -8.422 1.00 10.00 O ATOM 698 OE2 GLU A 43 29.200 3.534 -9.724 1.00 10.00 O ATOM 0 H GLU A 43 23.933 4.008 -7.084 1.00 10.00 H new ATOM 0 HA GLU A 43 26.247 5.864 -7.622 1.00 10.00 H new ATOM 0 HB2 GLU A 43 27.043 3.877 -6.660 1.00 10.00 H new ATOM 0 HB3 GLU A 43 25.625 2.963 -7.131 1.00 10.00 H new ATOM 0 HG2 GLU A 43 27.431 2.087 -8.465 1.00 10.00 H new ATOM 0 HG3 GLU A 43 26.480 3.075 -9.556 1.00 10.00 H new ATOM 915 N LEU B 11 10.293 -7.468 4.610 1.00 10.00 N ATOM 916 CA LEU B 11 10.155 -6.578 3.418 1.00 10.00 C ATOM 917 C LEU B 11 9.201 -5.420 3.730 1.00 10.00 C ATOM 918 O LEU B 11 9.546 -4.263 3.588 1.00 10.00 O ATOM 919 CB LEU B 11 9.569 -7.480 2.328 1.00 10.00 C ATOM 920 CG LEU B 11 9.703 -6.831 0.941 1.00 10.00 C ATOM 921 CD1 LEU B 11 8.315 -6.445 0.426 1.00 10.00 C ATOM 922 CD2 LEU B 11 10.581 -5.576 1.012 1.00 10.00 C ATOM 0 HA LEU B 11 11.103 -6.132 3.117 1.00 10.00 H new ATOM 0 HB2 LEU B 11 10.081 -8.442 2.334 1.00 10.00 H new ATOM 0 HB3 LEU B 11 8.518 -7.677 2.541 1.00 10.00 H new ATOM 0 HG LEU B 11 10.169 -7.548 0.265 1.00 10.00 H new ATOM 0 HD11 LEU B 11 8.407 -5.984 -0.558 1.00 10.00 H new ATOM 0 HD12 LEU B 11 7.693 -7.337 0.352 1.00 10.00 H new ATOM 0 HD13 LEU B 11 7.855 -5.738 1.116 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.663 -5.132 0.020 1.00 10.00 H new ATOM 0 HD22 LEU B 11 10.132 -4.856 1.696 1.00 10.00 H new ATOM 0 HD23 LEU B 11 11.574 -5.846 1.371 1.00 10.00 H new ATOM 934 N THR B 12 8.005 -5.721 4.161 1.00 10.00 N ATOM 935 CA THR B 12 7.034 -4.636 4.485 1.00 10.00 C ATOM 936 C THR B 12 7.493 -3.872 5.726 1.00 10.00 C ATOM 937 O THR B 12 7.866 -2.718 5.656 1.00 10.00 O ATOM 938 CB THR B 12 5.711 -5.354 4.756 1.00 10.00 C ATOM 939 OG1 THR B 12 5.221 -5.915 3.547 1.00 10.00 O ATOM 940 CG2 THR B 12 4.691 -4.358 5.310 1.00 10.00 C ATOM 0 H THR B 12 7.659 -6.670 4.303 1.00 10.00 H new ATOM 0 HA THR B 12 6.944 -3.908 3.679 1.00 10.00 H new ATOM 0 HB THR B 12 5.872 -6.148 5.485 1.00 10.00 H new ATOM 0 HG1 THR B 12 4.374 -6.377 3.720 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.749 -4.871 5.503 1.00 10.00 H new ATOM 0 HG22 THR B 12 5.068 -3.930 6.239 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.529 -3.562 4.584 1.00 10.00 H new ATOM 948 N GLU B 13 7.463 -4.511 6.861 1.00 10.00 N ATOM 949 CA GLU B 13 7.895 -3.835 8.118 1.00 10.00 C ATOM 950 C GLU B 13 9.094 -2.921 7.844 1.00 10.00 C ATOM 951 O GLU B 13 9.126 -1.781 8.263 1.00 10.00 O ATOM 952 CB GLU B 13 8.294 -4.970 9.062 1.00 10.00 C ATOM 953 CG GLU B 13 7.278 -5.070 10.203 1.00 10.00 C ATOM 954 CD GLU B 13 7.899 -5.837 11.372 1.00 10.00 C ATOM 955 OE1 GLU B 13 8.032 -7.044 11.258 1.00 10.00 O ATOM 956 OE2 GLU B 13 8.233 -5.204 12.359 1.00 10.00 O ATOM 0 H GLU B 13 7.157 -5.477 6.974 1.00 10.00 H new ATOM 0 HA GLU B 13 7.108 -3.210 8.540 1.00 10.00 H new ATOM 0 HB2 GLU B 13 8.337 -5.912 8.516 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.291 -4.789 9.464 1.00 10.00 H new ATOM 0 HG2 GLU B 13 6.979 -4.073 10.526 1.00 10.00 H new ATOM 0 HG3 GLU B 13 6.377 -5.578 9.859 1.00 10.00 H new ATOM 963 N LEU B 14 10.078 -3.414 7.143 1.00 10.00 N ATOM 964 CA LEU B 14 11.272 -2.573 6.842 1.00 10.00 C ATOM 965 C LEU B 14 10.863 -1.360 6.004 1.00 10.00 C ATOM 966 O LEU B 14 11.101 -0.227 6.376 1.00 10.00 O ATOM 967 CB LEU B 14 12.206 -3.483 6.047 1.00 10.00 C ATOM 968 CG LEU B 14 12.938 -4.422 7.005 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.644 -5.519 6.207 1.00 10.00 C ATOM 970 CD2 LEU B 14 13.973 -3.625 7.802 1.00 10.00 C ATOM 0 H LEU B 14 10.107 -4.361 6.766 1.00 10.00 H new ATOM 0 HA LEU B 14 11.748 -2.190 7.745 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.636 -4.060 5.319 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.925 -2.885 5.487 1.00 10.00 H new ATOM 0 HG LEU B 14 12.221 -4.877 7.688 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.166 -6.188 6.891 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.908 -6.085 5.637 1.00 10.00 H new ATOM 0 HD13 LEU B 14 14.363 -5.067 5.524 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.497 -4.292 8.487 1.00 10.00 H new ATOM 0 HD22 LEU B 14 14.690 -3.172 7.117 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.470 -2.843 8.371 1.00 10.00 H new ATOM 982 N LEU B 15 10.248 -1.587 4.877 1.00 10.00 N ATOM 983 CA LEU B 15 9.824 -0.446 4.017 1.00 10.00 C ATOM 984 C LEU B 15 9.164 0.639 4.870 1.00 10.00 C ATOM 985 O LEU B 15 9.725 1.694 5.092 1.00 10.00 O ATOM 986 CB LEU B 15 8.815 -1.042 3.036 1.00 10.00 C ATOM 987 CG LEU B 15 9.184 -0.627 1.611 1.00 10.00 C ATOM 988 CD1 LEU B 15 9.434 0.881 1.566 1.00 10.00 C ATOM 989 CD2 LEU B 15 10.452 -1.366 1.179 1.00 10.00 C ATOM 0 H LEU B 15 10.020 -2.513 4.514 1.00 10.00 H new ATOM 0 HA LEU B 15 10.665 0.019 3.503 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.809 -2.129 3.120 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.809 -0.698 3.278 1.00 10.00 H new ATOM 0 HG LEU B 15 8.366 -0.879 0.936 1.00 10.00 H new ATOM 0 HD11 LEU B 15 9.697 1.176 0.550 1.00 10.00 H new ATOM 0 HD12 LEU B 15 8.532 1.409 1.875 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.252 1.135 2.241 1.00 10.00 H new ATOM 0 HD21 LEU B 15 10.717 -1.072 0.163 1.00 10.00 H new ATOM 0 HD22 LEU B 15 11.269 -1.113 1.855 1.00 10.00 H new ATOM 0 HD23 LEU B 15 10.275 -2.441 1.211 1.00 10.00 H new ATOM 1001 N GLN B 16 7.976 0.388 5.351 1.00 10.00 N ATOM 1002 CA GLN B 16 7.283 1.407 6.191 1.00 10.00 C ATOM 1003 C GLN B 16 8.274 2.041 7.168 1.00 10.00 C ATOM 1004 O GLN B 16 8.318 3.244 7.331 1.00 10.00 O ATOM 1005 CB GLN B 16 6.204 0.633 6.948 1.00 10.00 C ATOM 1006 CG GLN B 16 4.902 0.651 6.145 1.00 10.00 C ATOM 1007 CD GLN B 16 5.194 0.294 4.686 1.00 10.00 C ATOM 1008 OE1 GLN B 16 5.504 -0.841 4.377 1.00 10.00 O ATOM 1009 NE2 GLN B 16 5.111 1.219 3.770 1.00 10.00 N ATOM 0 H GLN B 16 7.456 -0.477 5.199 1.00 10.00 H new ATOM 0 HA GLN B 16 6.859 2.215 5.596 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.527 -0.395 7.113 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.044 1.078 7.930 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.192 -0.059 6.569 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.440 1.637 6.203 1.00 10.00 H new ATOM 0 HE21 GLN B 16 4.851 2.171 4.028 1.00 10.00 H new ATOM 0 HE22 GLN B 16 5.306 0.990 2.795 1.00 10.00 H new ATOM 1018 N GLY B 17 9.073 1.240 7.818 1.00 10.00 N ATOM 1019 CA GLY B 17 10.062 1.799 8.781 1.00 10.00 C ATOM 1020 C GLY B 17 10.969 2.796 8.057 1.00 10.00 C ATOM 1021 O GLY B 17 11.214 3.888 8.533 1.00 10.00 O ATOM 0 H GLY B 17 9.084 0.224 7.724 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.546 2.292 9.605 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.658 0.996 9.214 1.00 10.00 H new ATOM 1025 N TYR B 18 11.461 2.436 6.904 1.00 10.00 N ATOM 1026 CA TYR B 18 12.339 3.365 6.153 1.00 10.00 C ATOM 1027 C TYR B 18 11.502 4.513 5.579 1.00 10.00 C ATOM 1028 O TYR B 18 11.862 5.668 5.675 1.00 10.00 O ATOM 1029 CB TYR B 18 12.935 2.501 5.047 1.00 10.00 C ATOM 1030 CG TYR B 18 12.946 3.278 3.767 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.749 4.412 3.652 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.152 2.863 2.700 1.00 10.00 C ATOM 1033 CE1 TYR B 18 13.762 5.140 2.457 1.00 10.00 C ATOM 1034 CE2 TYR B 18 12.159 3.586 1.501 1.00 10.00 C ATOM 1035 CZ TYR B 18 12.966 4.727 1.379 1.00 10.00 C ATOM 1036 OH TYR B 18 12.975 5.444 0.200 1.00 10.00 O ATOM 0 H TYR B 18 11.291 1.537 6.452 1.00 10.00 H new ATOM 0 HA TYR B 18 13.113 3.825 6.767 1.00 10.00 H new ATOM 0 HB2 TYR B 18 13.948 2.199 5.311 1.00 10.00 H new ATOM 0 HB3 TYR B 18 12.351 1.588 4.927 1.00 10.00 H new ATOM 0 HD1 TYR B 18 14.360 4.728 4.484 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.532 1.984 2.798 1.00 10.00 H new ATOM 0 HE1 TYR B 18 14.384 6.018 2.365 1.00 10.00 H new ATOM 0 HE2 TYR B 18 11.545 3.266 0.672 1.00 10.00 H new ATOM 0 HH TYR B 18 13.244 4.858 -0.537 1.00 10.00 H new ATOM 1046 N THR B 19 10.378 4.199 4.992 1.00 10.00 N ATOM 1047 CA THR B 19 9.510 5.268 4.422 1.00 10.00 C ATOM 1048 C THR B 19 9.120 6.254 5.525 1.00 10.00 C ATOM 1049 O THR B 19 8.924 7.428 5.284 1.00 10.00 O ATOM 1050 CB THR B 19 8.280 4.528 3.879 1.00 10.00 C ATOM 1051 OG1 THR B 19 8.381 4.424 2.466 1.00 10.00 O ATOM 1052 CG2 THR B 19 7.001 5.289 4.243 1.00 10.00 C ATOM 0 H THR B 19 10.024 3.249 4.883 1.00 10.00 H new ATOM 0 HA THR B 19 10.004 5.846 3.641 1.00 10.00 H new ATOM 0 HB THR B 19 8.238 3.533 4.322 1.00 10.00 H new ATOM 0 HG1 THR B 19 7.598 3.950 2.116 1.00 10.00 H new ATOM 0 HG21 THR B 19 6.136 4.754 3.852 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.920 5.367 5.327 1.00 10.00 H new ATOM 0 HG23 THR B 19 7.036 6.288 3.809 1.00 10.00 H new ATOM 1060 N VAL B 20 9.010 5.784 6.738 1.00 10.00 N ATOM 1061 CA VAL B 20 8.637 6.692 7.858 1.00 10.00 C ATOM 1062 C VAL B 20 9.812 7.613 8.196 1.00 10.00 C ATOM 1063 O VAL B 20 9.630 8.731 8.633 1.00 10.00 O ATOM 1064 CB VAL B 20 8.319 5.769 9.033 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.112 6.607 10.295 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.042 4.981 8.728 1.00 10.00 C ATOM 0 H VAL B 20 9.162 4.810 7.001 1.00 10.00 H new ATOM 0 HA VAL B 20 7.790 7.332 7.609 1.00 10.00 H new ATOM 0 HB VAL B 20 9.146 5.076 9.188 1.00 10.00 H new ATOM 0 HG11 VAL B 20 7.885 5.950 11.135 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.020 7.171 10.510 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.284 7.298 10.141 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.813 4.321 9.565 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.215 5.674 8.575 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.188 4.386 7.827 1.00 10.00 H new ATOM 1076 N GLU B 21 11.019 7.157 7.985 1.00 10.00 N ATOM 1077 CA GLU B 21 12.199 8.026 8.287 1.00 10.00 C ATOM 1078 C GLU B 21 12.293 9.127 7.236 1.00 10.00 C ATOM 1079 O GLU B 21 12.803 10.201 7.482 1.00 10.00 O ATOM 1080 CB GLU B 21 13.444 7.133 8.204 1.00 10.00 C ATOM 1081 CG GLU B 21 13.065 5.674 8.423 1.00 10.00 C ATOM 1082 CD GLU B 21 14.250 4.922 9.034 1.00 10.00 C ATOM 1083 OE1 GLU B 21 15.364 5.400 8.895 1.00 10.00 O ATOM 1084 OE2 GLU B 21 14.022 3.883 9.631 1.00 10.00 O ATOM 0 H GLU B 21 11.240 6.230 7.620 1.00 10.00 H new ATOM 0 HA GLU B 21 12.111 8.485 9.272 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.919 7.250 7.230 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.172 7.443 8.953 1.00 10.00 H new ATOM 0 HG2 GLU B 21 12.200 5.608 9.083 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.780 5.216 7.476 1.00 10.00 H new ATOM 1091 N VAL B 22 11.803 8.857 6.060 1.00 10.00 N ATOM 1092 CA VAL B 22 11.857 9.871 4.973 1.00 10.00 C ATOM 1093 C VAL B 22 10.827 10.972 5.233 1.00 10.00 C ATOM 1094 O VAL B 22 11.054 12.130 4.942 1.00 10.00 O ATOM 1095 CB VAL B 22 11.519 9.101 3.693 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.145 9.810 2.496 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.081 7.678 3.779 1.00 10.00 C ATOM 0 H VAL B 22 11.365 7.972 5.804 1.00 10.00 H new ATOM 0 HA VAL B 22 12.830 10.357 4.905 1.00 10.00 H new ATOM 0 HB VAL B 22 10.436 9.059 3.577 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.906 9.264 1.584 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.750 10.824 2.426 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.227 9.850 2.622 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.838 7.135 2.866 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.164 7.721 3.898 1.00 10.00 H new ATOM 0 HG23 VAL B 22 11.642 7.165 4.634 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.698 10.621 5.784 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.658 11.650 6.070 1.00 10.00 C ATOM 1109 C LEU B 23B 8.951 12.329 7.410 1.00 10.00 C ATOM 1110 O LEU B 23B 8.446 13.396 7.702 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.341 10.877 6.135 1.00 10.00 C ATOM 1112 CG LEU B 23B 7.118 10.135 4.816 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.795 9.371 4.878 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 7.069 11.145 3.668 1.00 10.00 C ATOM 0 H LEU B 23B 9.450 9.667 6.048 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.629 12.434 5.313 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.363 10.169 6.963 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 6.514 11.562 6.323 1.00 10.00 H new ATOM 0 HG LEU B 23B 7.935 9.433 4.650 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.636 8.842 3.938 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 5.828 8.653 5.697 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 4.977 10.072 5.043 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 6.910 10.619 2.727 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 6.251 11.846 3.834 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 8.011 11.691 3.624 1.00 10.00 H new ATOM 1126 N ARG B 24 9.766 11.718 8.226 1.00 10.00 N ATOM 1127 CA ARG B 24 10.097 12.325 9.548 1.00 10.00 C ATOM 1128 C ARG B 24 11.364 13.177 9.434 1.00 10.00 C ATOM 1129 O ARG B 24 11.328 14.383 9.573 1.00 10.00 O ATOM 1130 CB ARG B 24 10.332 11.137 10.482 1.00 10.00 C ATOM 1131 CG ARG B 24 9.269 11.130 11.582 1.00 10.00 C ATOM 1132 CD ARG B 24 9.829 11.798 12.839 1.00 10.00 C ATOM 1133 NE ARG B 24 8.662 11.935 13.754 1.00 10.00 N ATOM 1134 CZ ARG B 24 7.948 10.886 14.059 1.00 10.00 C ATOM 1135 NH1 ARG B 24 8.524 9.725 14.208 1.00 10.00 N ATOM 1136 NH2 ARG B 24 6.656 10.998 14.215 1.00 10.00 N ATOM 0 H ARG B 24 10.218 10.824 8.035 1.00 10.00 H new ATOM 0 HA ARG B 24 9.305 12.979 9.913 1.00 10.00 H new ATOM 0 HB2 ARG B 24 10.292 10.205 9.918 1.00 10.00 H new ATOM 0 HB3 ARG B 24 11.326 11.200 10.924 1.00 10.00 H new ATOM 0 HG2 ARG B 24 8.377 11.658 11.244 1.00 10.00 H new ATOM 0 HG3 ARG B 24 8.968 10.106 11.805 1.00 10.00 H new ATOM 0 HD2 ARG B 24 10.616 11.193 13.290 1.00 10.00 H new ATOM 0 HD3 ARG B 24 10.266 12.770 12.608 1.00 10.00 H new ATOM 0 HE ARG B 24 8.421 12.847 14.142 1.00 10.00 H new ATOM 0 HH11 ARG B 24 9.533 9.637 14.086 1.00 10.00 H new ATOM 0 HH12 ARG B 24 7.966 8.905 14.446 1.00 10.00 H new ATOM 0 HH21 ARG B 24 6.205 11.905 14.098 1.00 10.00 H new ATOM 0 HH22 ARG B 24 6.098 10.178 14.453 1.00 10.00 H new ATOM 1150 N GLN B 25 12.485 12.556 9.183 1.00 10.00 N ATOM 1151 CA GLN B 25 13.754 13.329 9.060 1.00 10.00 C ATOM 1152 C GLN B 25 13.864 13.947 7.662 1.00 10.00 C ATOM 1153 O GLN B 25 14.577 14.909 7.453 1.00 10.00 O ATOM 1154 CB GLN B 25 14.867 12.301 9.300 1.00 10.00 C ATOM 1155 CG GLN B 25 15.504 11.892 7.969 1.00 10.00 C ATOM 1156 CD GLN B 25 16.618 10.874 8.224 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.361 9.693 8.339 1.00 10.00 O ATOM 1158 NE2 GLN B 25 17.852 11.285 8.319 1.00 10.00 N ATOM 0 H GLN B 25 12.577 11.548 9.058 1.00 10.00 H new ATOM 0 HA GLN B 25 13.811 14.155 9.769 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.625 12.722 9.960 1.00 10.00 H new ATOM 0 HB3 GLN B 25 14.460 11.423 9.802 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.749 11.463 7.310 1.00 10.00 H new ATOM 0 HG3 GLN B 25 15.908 12.769 7.463 1.00 10.00 H new ATOM 0 HE21 GLN B 25 18.068 12.277 8.222 1.00 10.00 H new ATOM 0 HE22 GLN B 25 18.601 10.614 8.490 1.00 10.00 H new ATOM 1167 N GLN B 26 13.166 13.399 6.703 1.00 10.00 N ATOM 1168 CA GLN B 26 13.234 13.952 5.319 1.00 10.00 C ATOM 1169 C GLN B 26 14.678 14.333 4.977 1.00 10.00 C ATOM 1170 O GLN B 26 15.060 15.482 5.084 1.00 10.00 O ATOM 1171 CB GLN B 26 12.339 15.192 5.339 1.00 10.00 C ATOM 1172 CG GLN B 26 11.093 14.942 4.485 1.00 10.00 C ATOM 1173 CD GLN B 26 11.505 14.348 3.137 1.00 10.00 C ATOM 1174 OE1 GLN B 26 12.660 14.668 2.621 1.00 10.00 O flip ATOM 1175 NE2 GLN B 26 10.767 13.584 2.545 1.00 10.00 N flip ATOM 0 H GLN B 26 12.552 12.593 6.818 1.00 10.00 H new ATOM 0 HA GLN B 26 12.908 13.232 4.569 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.049 15.427 6.363 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.886 16.054 4.957 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.416 14.262 5.002 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.551 15.875 4.332 1.00 10.00 H new ATOM 0 HE21 GLN B 26 9.864 13.333 2.947 1.00 10.00 H new ATOM 0 HE22 GLN B 26 11.051 13.194 1.646 1.00 10.00 H new ATOM 1184 N PRO B 27 15.433 13.346 4.581 1.00 10.00 N ATOM 1185 CA PRO B 27 16.854 13.565 4.223 1.00 10.00 C ATOM 1186 C PRO B 27 16.967 14.362 2.920 1.00 10.00 C ATOM 1187 O PRO B 27 15.983 14.601 2.250 1.00 10.00 O ATOM 1188 CB PRO B 27 17.402 12.151 4.044 1.00 10.00 C ATOM 1189 CG PRO B 27 16.207 11.322 3.711 1.00 10.00 C ATOM 1190 CD PRO B 27 15.040 11.944 4.428 1.00 10.00 C ATOM 0 HA PRO B 27 17.398 14.137 4.974 1.00 10.00 H new ATOM 0 HB2 PRO B 27 18.145 12.112 3.248 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.889 11.797 4.953 1.00 10.00 H new ATOM 0 HG2 PRO B 27 16.036 11.304 2.635 1.00 10.00 H new ATOM 0 HG3 PRO B 27 16.351 10.289 4.028 1.00 10.00 H new ATOM 0 HD2 PRO B 27 14.119 11.847 3.853 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.864 11.470 5.394 1.00 10.00 H new ATOM 1198 N PRO B 28 18.174 14.745 2.608 1.00 10.00 N ATOM 1199 CA PRO B 28 18.435 15.524 1.374 1.00 10.00 C ATOM 1200 C PRO B 28 18.227 14.650 0.134 1.00 10.00 C ATOM 1201 O PRO B 28 17.615 15.060 -0.833 1.00 10.00 O ATOM 1202 CB PRO B 28 19.899 15.935 1.514 1.00 10.00 C ATOM 1203 CG PRO B 28 20.495 14.913 2.424 1.00 10.00 C ATOM 1204 CD PRO B 28 19.400 14.491 3.367 1.00 10.00 C ATOM 0 HA PRO B 28 17.767 16.378 1.256 1.00 10.00 H new ATOM 0 HB2 PRO B 28 20.402 15.945 0.547 1.00 10.00 H new ATOM 0 HB3 PRO B 28 19.990 16.938 1.931 1.00 10.00 H new ATOM 0 HG2 PRO B 28 20.869 14.060 1.858 1.00 10.00 H new ATOM 0 HG3 PRO B 28 21.341 15.328 2.972 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.491 13.440 3.642 1.00 10.00 H new ATOM 0 HD3 PRO B 28 19.425 15.066 4.293 1.00 10.00 H new ATOM 1212 N ASP B 29 18.730 13.446 0.156 1.00 10.00 N ATOM 1213 CA ASP B 29 18.561 12.544 -1.020 1.00 10.00 C ATOM 1214 C ASP B 29 18.021 11.184 -0.567 1.00 10.00 C ATOM 1215 O ASP B 29 18.587 10.534 0.290 1.00 10.00 O ATOM 1216 CB ASP B 29 19.964 12.396 -1.611 1.00 10.00 C ATOM 1217 CG ASP B 29 20.573 13.782 -1.833 1.00 10.00 C ATOM 1218 OD1 ASP B 29 21.002 14.382 -0.861 1.00 10.00 O ATOM 1219 OD2 ASP B 29 20.599 14.222 -2.971 1.00 10.00 O ATOM 0 H ASP B 29 19.251 13.047 0.937 1.00 10.00 H new ATOM 0 HA ASP B 29 17.853 12.940 -1.748 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.594 11.814 -0.938 1.00 10.00 H new ATOM 0 HB3 ASP B 29 19.917 11.852 -2.555 1.00 10.00 H new ATOM 1224 N LEU B 30 16.929 10.751 -1.134 1.00 10.00 N ATOM 1225 CA LEU B 30 16.352 9.435 -0.734 1.00 10.00 C ATOM 1226 C LEU B 30 17.243 8.295 -1.230 1.00 10.00 C ATOM 1227 O LEU B 30 17.865 7.600 -0.451 1.00 10.00 O ATOM 1228 CB LEU B 30 14.986 9.379 -1.420 1.00 10.00 C ATOM 1229 CG LEU B 30 13.915 8.925 -0.423 1.00 10.00 C ATOM 1230 CD1 LEU B 30 12.738 8.319 -1.190 1.00 10.00 C ATOM 1231 CD2 LEU B 30 14.497 7.871 0.523 1.00 10.00 C ATOM 0 H LEU B 30 16.411 11.251 -1.857 1.00 10.00 H new ATOM 0 HA LEU B 30 16.273 9.331 0.348 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.730 10.361 -1.819 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.022 8.691 -2.265 1.00 10.00 H new ATOM 0 HG LEU B 30 13.578 9.783 0.159 1.00 10.00 H new ATOM 0 HD11 LEU B 30 11.973 7.994 -0.485 1.00 10.00 H new ATOM 0 HD12 LEU B 30 12.318 9.067 -1.862 1.00 10.00 H new ATOM 0 HD13 LEU B 30 13.084 7.463 -1.770 1.00 10.00 H new ATOM 0 HD21 LEU B 30 13.730 7.553 1.229 1.00 10.00 H new ATOM 0 HD22 LEU B 30 14.837 7.012 -0.055 1.00 10.00 H new ATOM 0 HD23 LEU B 30 15.339 8.297 1.069 1.00 10.00 H new ATOM 1243 N VAL B 31 17.305 8.100 -2.522 1.00 10.00 N ATOM 1244 CA VAL B 31 18.156 7.006 -3.085 1.00 10.00 C ATOM 1245 C VAL B 31 19.317 6.699 -2.142 1.00 10.00 C ATOM 1246 O VAL B 31 19.448 5.605 -1.631 1.00 10.00 O ATOM 1247 CB VAL B 31 18.690 7.559 -4.406 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.288 6.418 -5.232 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.547 8.209 -5.188 1.00 10.00 C ATOM 0 H VAL B 31 16.801 8.653 -3.215 1.00 10.00 H new ATOM 0 HA VAL B 31 17.595 6.081 -3.219 1.00 10.00 H new ATOM 0 HB VAL B 31 19.460 8.303 -4.202 1.00 10.00 H new ATOM 0 HG11 VAL B 31 19.669 6.812 -6.174 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.103 5.955 -4.676 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.518 5.673 -5.435 1.00 10.00 H new ATOM 0 HG21 VAL B 31 17.929 8.603 -6.130 1.00 10.00 H new ATOM 0 HG22 VAL B 31 16.776 7.465 -5.391 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.121 9.022 -4.601 1.00 10.00 H new ATOM 1259 N ASP B 32 20.157 7.667 -1.909 1.00 10.00 N ATOM 1260 CA ASP B 32 21.311 7.451 -0.998 1.00 10.00 C ATOM 1261 C ASP B 32 20.810 7.127 0.411 1.00 10.00 C ATOM 1262 O ASP B 32 21.255 6.184 1.035 1.00 10.00 O ATOM 1263 CB ASP B 32 22.065 8.778 -1.020 1.00 10.00 C ATOM 1264 CG ASP B 32 23.565 8.517 -0.872 1.00 10.00 C ATOM 1265 OD1 ASP B 32 23.952 7.361 -0.919 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.302 9.477 -0.716 1.00 10.00 O ATOM 0 H ASP B 32 20.093 8.602 -2.312 1.00 10.00 H new ATOM 0 HA ASP B 32 21.944 6.618 -1.303 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.867 9.305 -1.954 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.716 9.420 -0.211 1.00 10.00 H new ATOM 1271 N PHE B 33 19.880 7.893 0.914 1.00 10.00 N ATOM 1272 CA PHE B 33 19.351 7.610 2.277 1.00 10.00 C ATOM 1273 C PHE B 33 18.737 6.211 2.307 1.00 10.00 C ATOM 1274 O PHE B 33 19.105 5.376 3.109 1.00 10.00 O ATOM 1275 CB PHE B 33 18.279 8.671 2.525 1.00 10.00 C ATOM 1276 CG PHE B 33 17.612 8.403 3.852 1.00 10.00 C ATOM 1277 CD1 PHE B 33 18.331 8.566 5.043 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.274 7.991 3.893 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.712 8.317 6.273 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.656 7.742 5.124 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.375 7.904 6.314 1.00 10.00 C ATOM 0 H PHE B 33 19.466 8.698 0.443 1.00 10.00 H new ATOM 0 HA PHE B 33 20.129 7.643 3.040 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.727 9.665 2.524 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.541 8.653 1.723 1.00 10.00 H new ATOM 0 HD1 PHE B 33 19.363 8.884 5.012 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.719 7.865 2.975 1.00 10.00 H new ATOM 0 HE1 PHE B 33 18.266 8.444 7.191 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.624 7.425 5.156 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.898 7.710 7.264 1.00 10.00 H new ATOM 1291 N ALA B 34 17.807 5.946 1.430 1.00 10.00 N ATOM 1292 CA ALA B 34 17.177 4.597 1.400 1.00 10.00 C ATOM 1293 C ALA B 34 18.260 3.525 1.247 1.00 10.00 C ATOM 1294 O ALA B 34 18.089 2.393 1.651 1.00 10.00 O ATOM 1295 CB ALA B 34 16.260 4.616 0.177 1.00 10.00 C ATOM 0 H ALA B 34 17.457 6.605 0.734 1.00 10.00 H new ATOM 0 HA ALA B 34 16.627 4.370 2.313 1.00 10.00 H new ATOM 0 HB1 ALA B 34 15.757 3.654 0.085 1.00 10.00 H new ATOM 0 HB2 ALA B 34 15.516 5.405 0.292 1.00 10.00 H new ATOM 0 HB3 ALA B 34 16.852 4.803 -0.719 1.00 10.00 H new ATOM 1301 N VAL B 35 19.377 3.881 0.669 1.00 10.00 N ATOM 1302 CA VAL B 35 20.475 2.899 0.490 1.00 10.00 C ATOM 1303 C VAL B 35 21.304 2.816 1.775 1.00 10.00 C ATOM 1304 O VAL B 35 21.613 1.747 2.263 1.00 10.00 O ATOM 1305 CB VAL B 35 21.303 3.467 -0.664 1.00 10.00 C ATOM 1306 CG1 VAL B 35 22.763 3.052 -0.509 1.00 10.00 C ATOM 1307 CG2 VAL B 35 20.761 2.932 -1.991 1.00 10.00 C ATOM 0 H VAL B 35 19.572 4.817 0.313 1.00 10.00 H new ATOM 0 HA VAL B 35 20.122 1.890 0.278 1.00 10.00 H new ATOM 0 HB VAL B 35 21.236 4.555 -0.652 1.00 10.00 H new ATOM 0 HG11 VAL B 35 23.347 3.460 -1.334 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.152 3.435 0.435 1.00 10.00 H new ATOM 0 HG13 VAL B 35 22.835 1.964 -0.517 1.00 10.00 H new ATOM 0 HG21 VAL B 35 21.350 3.336 -2.814 1.00 10.00 H new ATOM 0 HG22 VAL B 35 20.826 1.844 -1.998 1.00 10.00 H new ATOM 0 HG23 VAL B 35 19.720 3.234 -2.107 1.00 10.00 H new ATOM 1317 N GLU B 36 21.661 3.943 2.329 1.00 10.00 N ATOM 1318 CA GLU B 36 22.463 3.938 3.585 1.00 10.00 C ATOM 1319 C GLU B 36 21.703 3.191 4.686 1.00 10.00 C ATOM 1320 O GLU B 36 22.269 2.416 5.431 1.00 10.00 O ATOM 1321 CB GLU B 36 22.646 5.420 3.944 1.00 10.00 C ATOM 1322 CG GLU B 36 21.835 5.765 5.196 1.00 10.00 C ATOM 1323 CD GLU B 36 22.146 7.200 5.628 1.00 10.00 C ATOM 1324 OE1 GLU B 36 22.726 7.923 4.835 1.00 10.00 O ATOM 1325 OE2 GLU B 36 21.799 7.551 6.744 1.00 10.00 O ATOM 0 H GLU B 36 21.431 4.868 1.965 1.00 10.00 H new ATOM 0 HA GLU B 36 23.423 3.434 3.470 1.00 10.00 H new ATOM 0 HB2 GLU B 36 23.701 5.633 4.115 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.326 6.046 3.111 1.00 10.00 H new ATOM 0 HG2 GLU B 36 20.769 5.658 4.993 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.077 5.071 6.001 1.00 10.00 H new ATOM 1332 N TYR B 37 20.423 3.419 4.791 1.00 10.00 N ATOM 1333 CA TYR B 37 19.624 2.722 5.839 1.00 10.00 C ATOM 1334 C TYR B 37 19.609 1.215 5.569 1.00 10.00 C ATOM 1335 O TYR B 37 20.178 0.437 6.307 1.00 10.00 O ATOM 1336 CB TYR B 37 18.216 3.306 5.713 1.00 10.00 C ATOM 1337 CG TYR B 37 17.302 2.643 6.716 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.560 2.766 8.087 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.197 1.905 6.276 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.713 2.151 9.017 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.349 1.290 7.206 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.607 1.413 8.577 1.00 10.00 C ATOM 1343 OH TYR B 37 14.772 0.807 9.493 1.00 10.00 O ATOM 0 H TYR B 37 19.895 4.058 4.196 1.00 10.00 H new ATOM 0 HA TYR B 37 20.034 2.862 6.839 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.241 4.382 5.884 1.00 10.00 H new ATOM 0 HB3 TYR B 37 17.837 3.153 4.703 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.412 3.335 8.427 1.00 10.00 H new ATOM 0 HD2 TYR B 37 15.998 1.810 5.219 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.913 2.246 10.074 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.496 0.721 6.866 1.00 10.00 H new ATOM 0 HH TYR B 37 14.054 0.337 9.020 1.00 10.00 H new ATOM 1353 N PHE B 38 18.963 0.799 4.514 1.00 10.00 N ATOM 1354 CA PHE B 38 18.914 -0.657 4.195 1.00 10.00 C ATOM 1355 C PHE B 38 20.320 -1.257 4.247 1.00 10.00 C ATOM 1356 O PHE B 38 20.539 -2.300 4.832 1.00 10.00 O ATOM 1357 CB PHE B 38 18.349 -0.731 2.778 1.00 10.00 C ATOM 1358 CG PHE B 38 16.841 -0.758 2.837 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.187 -1.714 3.624 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.095 0.174 2.105 1.00 10.00 C ATOM 1361 CE1 PHE B 38 14.788 -1.738 3.679 1.00 10.00 C ATOM 1362 CE2 PHE B 38 14.695 0.151 2.159 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.043 -0.806 2.947 1.00 10.00 C ATOM 0 H PHE B 38 18.467 1.404 3.859 1.00 10.00 H new ATOM 0 HA PHE B 38 18.306 -1.217 4.905 1.00 10.00 H new ATOM 0 HB2 PHE B 38 18.685 0.127 2.196 1.00 10.00 H new ATOM 0 HB3 PHE B 38 18.720 -1.623 2.274 1.00 10.00 H new ATOM 0 HD1 PHE B 38 16.762 -2.433 4.189 1.00 10.00 H new ATOM 0 HD2 PHE B 38 16.599 0.911 1.498 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.284 -2.475 4.286 1.00 10.00 H new ATOM 0 HE2 PHE B 38 14.120 0.870 1.594 1.00 10.00 H new ATOM 0 HZ PHE B 38 12.964 -0.825 2.990 1.00 10.00 H new ATOM 1373 N THR B 39 21.277 -0.609 3.640 1.00 10.00 N ATOM 1374 CA THR B 39 22.668 -1.147 3.655 1.00 10.00 C ATOM 1375 C THR B 39 23.127 -1.376 5.097 1.00 10.00 C ATOM 1376 O THR B 39 23.799 -2.344 5.397 1.00 10.00 O ATOM 1377 CB THR B 39 23.517 -0.068 2.982 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.327 -0.127 1.575 1.00 10.00 O ATOM 1379 CG2 THR B 39 24.994 -0.296 3.310 1.00 10.00 C ATOM 0 H THR B 39 21.156 0.269 3.135 1.00 10.00 H new ATOM 0 HA THR B 39 22.749 -2.105 3.141 1.00 10.00 H new ATOM 0 HB THR B 39 23.215 0.913 3.349 1.00 10.00 H new ATOM 0 HG1 THR B 39 22.642 0.522 1.310 1.00 10.00 H new ATOM 0 HG21 THR B 39 25.597 0.474 2.829 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.139 -0.249 4.389 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.300 -1.277 2.946 1.00 10.00 H new ATOM 1387 N ARG B 40 22.768 -0.496 5.991 1.00 10.00 N ATOM 1388 CA ARG B 40 23.185 -0.669 7.412 1.00 10.00 C ATOM 1389 C ARG B 40 22.506 -1.905 8.009 1.00 10.00 C ATOM 1390 O ARG B 40 23.080 -2.612 8.814 1.00 10.00 O ATOM 1391 CB ARG B 40 22.712 0.599 8.122 1.00 10.00 C ATOM 1392 CG ARG B 40 23.473 0.761 9.439 1.00 10.00 C ATOM 1393 CD ARG B 40 23.048 2.065 10.120 1.00 10.00 C ATOM 1394 NE ARG B 40 23.684 2.019 11.466 1.00 10.00 N ATOM 1395 CZ ARG B 40 23.199 1.237 12.391 1.00 10.00 C ATOM 1396 NH1 ARG B 40 21.908 1.146 12.557 1.00 10.00 N ATOM 1397 NH2 ARG B 40 24.005 0.545 13.150 1.00 10.00 N ATOM 0 H ARG B 40 22.206 0.333 5.800 1.00 10.00 H new ATOM 0 HA ARG B 40 24.261 -0.813 7.515 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.877 1.468 7.485 1.00 10.00 H new ATOM 0 HB3 ARG B 40 21.640 0.543 8.313 1.00 10.00 H new ATOM 0 HG2 ARG B 40 23.271 -0.086 10.094 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.547 0.770 9.252 1.00 10.00 H new ATOM 0 HD2 ARG B 40 23.384 2.934 9.554 1.00 10.00 H new ATOM 0 HD3 ARG B 40 21.963 2.135 10.198 1.00 10.00 H new ATOM 0 HE ARG B 40 24.499 2.599 11.665 1.00 10.00 H new ATOM 0 HH11 ARG B 40 21.278 1.686 11.964 1.00 10.00 H new ATOM 0 HH12 ARG B 40 21.529 0.535 13.280 1.00 10.00 H new ATOM 0 HH21 ARG B 40 25.014 0.616 13.020 1.00 10.00 H new ATOM 0 HH22 ARG B 40 23.625 -0.066 13.873 1.00 10.00 H new ATOM 1411 N LEU B 41 21.288 -2.172 7.620 1.00 10.00 N ATOM 1412 CA LEU B 41 20.576 -3.363 8.164 1.00 10.00 C ATOM 1413 C LEU B 41 21.287 -4.647 7.727 1.00 10.00 C ATOM 1414 O LEU B 41 21.463 -5.565 8.503 1.00 10.00 O ATOM 1415 CB LEU B 41 19.171 -3.293 7.562 1.00 10.00 C ATOM 1416 CG LEU B 41 18.260 -2.482 8.485 1.00 10.00 C ATOM 1417 CD1 LEU B 41 18.848 -1.083 8.683 1.00 10.00 C ATOM 1418 CD2 LEU B 41 16.872 -2.363 7.853 1.00 10.00 C ATOM 0 H LEU B 41 20.756 -1.617 6.950 1.00 10.00 H new ATOM 0 HA LEU B 41 20.551 -3.370 9.254 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.209 -2.832 6.575 1.00 10.00 H new ATOM 0 HB3 LEU B 41 18.770 -4.298 7.429 1.00 10.00 H new ATOM 0 HG LEU B 41 18.181 -2.984 9.449 1.00 10.00 H new ATOM 0 HD11 LEU B 41 18.199 -0.505 9.341 1.00 10.00 H new ATOM 0 HD12 LEU B 41 19.838 -1.165 9.131 1.00 10.00 H new ATOM 0 HD13 LEU B 41 18.926 -0.581 7.718 1.00 10.00 H new ATOM 0 HD21 LEU B 41 16.222 -1.785 8.510 1.00 10.00 H new ATOM 0 HD22 LEU B 41 16.953 -1.861 6.889 1.00 10.00 H new ATOM 0 HD23 LEU B 41 16.451 -3.358 7.709 1.00 10.00 H new ATOM 1430 N ARG B 42 21.701 -4.717 6.490 1.00 10.00 N ATOM 1431 CA ARG B 42 22.404 -5.940 6.007 1.00 10.00 C ATOM 1432 C ARG B 42 23.757 -6.077 6.715 1.00 10.00 C ATOM 1433 O ARG B 42 24.292 -7.159 6.855 1.00 10.00 O ATOM 1434 CB ARG B 42 22.575 -5.724 4.496 1.00 10.00 C ATOM 1435 CG ARG B 42 24.042 -5.442 4.156 1.00 10.00 C ATOM 1436 CD ARG B 42 24.791 -6.767 3.998 1.00 10.00 C ATOM 1437 NE ARG B 42 26.019 -6.616 4.828 1.00 10.00 N ATOM 1438 CZ ARG B 42 27.189 -6.867 4.310 1.00 10.00 C ATOM 1439 NH1 ARG B 42 27.734 -6.015 3.487 1.00 10.00 N ATOM 1440 NH2 ARG B 42 27.814 -7.971 4.615 1.00 10.00 N ATOM 0 H ARG B 42 21.583 -3.981 5.794 1.00 10.00 H new ATOM 0 HA ARG B 42 21.854 -6.858 6.216 1.00 10.00 H new ATOM 0 HB2 ARG B 42 22.234 -6.607 3.956 1.00 10.00 H new ATOM 0 HB3 ARG B 42 21.953 -4.890 4.169 1.00 10.00 H new ATOM 0 HG2 ARG B 42 24.108 -4.862 3.235 1.00 10.00 H new ATOM 0 HG3 ARG B 42 24.501 -4.844 4.943 1.00 10.00 H new ATOM 0 HD2 ARG B 42 24.185 -7.606 4.339 1.00 10.00 H new ATOM 0 HD3 ARG B 42 25.041 -6.957 2.954 1.00 10.00 H new ATOM 0 HE ARG B 42 25.945 -6.317 5.800 1.00 10.00 H new ATOM 0 HH11 ARG B 42 27.245 -5.152 3.248 1.00 10.00 H new ATOM 0 HH12 ARG B 42 28.649 -6.211 3.082 1.00 10.00 H new ATOM 0 HH21 ARG B 42 27.387 -8.638 5.259 1.00 10.00 H new ATOM 0 HH22 ARG B 42 28.729 -8.168 4.210 1.00 10.00 H new