USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=10 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 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot -178:sc= -6.51! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 128:sc= -0.382 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 TYR OH : rot -178:sc= -6.46! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 108:sc= -0.168 USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 11 7.700 8.024 -3.052 1.00 10.00 N ATOM 152 CA LEU A 11 8.338 6.740 -2.641 1.00 10.00 C ATOM 153 C LEU A 11 7.670 5.565 -3.358 1.00 10.00 C ATOM 154 O LEU A 11 8.271 4.529 -3.566 1.00 10.00 O ATOM 155 CB LEU A 11 8.107 6.648 -1.133 1.00 10.00 C ATOM 156 CG LEU A 11 9.397 6.200 -0.447 1.00 10.00 C ATOM 157 CD1 LEU A 11 9.372 6.625 1.021 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.518 4.676 -0.534 1.00 10.00 C ATOM 0 HA LEU A 11 9.398 6.706 -2.894 1.00 10.00 H new ATOM 0 HB2 LEU A 11 7.792 7.616 -0.743 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.305 5.942 -0.920 1.00 10.00 H new ATOM 0 HG LEU A 11 10.250 6.663 -0.943 1.00 10.00 H new ATOM 0 HD11 LEU A 11 10.293 6.305 1.508 1.00 10.00 H new ATOM 0 HD12 LEU A 11 9.286 7.710 1.084 1.00 10.00 H new ATOM 0 HD13 LEU A 11 8.519 6.164 1.519 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.438 4.356 -0.045 1.00 10.00 H new ATOM 0 HD22 LEU A 11 8.664 4.214 -0.039 1.00 10.00 H new ATOM 0 HD23 LEU A 11 9.539 4.372 -1.580 1.00 10.00 H new ATOM 170 N THR A 12 6.430 5.716 -3.734 1.00 10.00 N ATOM 171 CA THR A 12 5.724 4.607 -4.436 1.00 10.00 C ATOM 172 C THR A 12 6.589 4.065 -5.573 1.00 10.00 C ATOM 173 O THR A 12 6.709 2.872 -5.762 1.00 10.00 O ATOM 174 CB THR A 12 4.445 5.239 -4.988 1.00 10.00 C ATOM 175 OG1 THR A 12 3.648 5.710 -3.909 1.00 10.00 O ATOM 176 CG2 THR A 12 3.661 4.197 -5.785 1.00 10.00 C ATOM 0 H THR A 12 5.875 6.559 -3.586 1.00 10.00 H new ATOM 0 HA THR A 12 5.511 3.768 -3.773 1.00 10.00 H new ATOM 0 HB THR A 12 4.704 6.072 -5.641 1.00 10.00 H new ATOM 0 HG1 THR A 12 2.829 6.117 -4.261 1.00 10.00 H new ATOM 0 HG21 THR A 12 2.750 4.649 -6.178 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.272 3.836 -6.612 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.401 3.362 -5.135 1.00 10.00 H new ATOM 184 N GLU A 13 7.190 4.935 -6.331 1.00 10.00 N ATOM 185 CA GLU A 13 8.048 4.479 -7.463 1.00 10.00 C ATOM 186 C GLU A 13 9.104 3.484 -6.971 1.00 10.00 C ATOM 187 O GLU A 13 8.972 2.288 -7.143 1.00 10.00 O ATOM 188 CB GLU A 13 8.717 5.751 -7.987 1.00 10.00 C ATOM 189 CG GLU A 13 7.907 6.310 -9.159 1.00 10.00 C ATOM 190 CD GLU A 13 8.562 5.894 -10.477 1.00 10.00 C ATOM 191 OE1 GLU A 13 9.506 5.121 -10.429 1.00 10.00 O ATOM 192 OE2 GLU A 13 8.111 6.356 -11.513 1.00 10.00 O ATOM 0 H GLU A 13 7.126 5.947 -6.217 1.00 10.00 H new ATOM 0 HA GLU A 13 7.471 3.969 -8.234 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.784 6.493 -7.191 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.736 5.533 -8.307 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.883 5.939 -9.117 1.00 10.00 H new ATOM 0 HG3 GLU A 13 7.855 7.397 -9.094 1.00 10.00 H new ATOM 199 N LEU A 14 10.151 3.971 -6.365 1.00 10.00 N ATOM 200 CA LEU A 14 11.224 3.062 -5.865 1.00 10.00 C ATOM 201 C LEU A 14 10.617 1.797 -5.248 1.00 10.00 C ATOM 202 O LEU A 14 10.985 0.691 -5.590 1.00 10.00 O ATOM 203 CB LEU A 14 11.961 3.874 -4.799 1.00 10.00 C ATOM 204 CG LEU A 14 13.261 4.432 -5.384 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.009 4.950 -6.802 1.00 10.00 C ATOM 206 CD2 LEU A 14 13.760 5.581 -4.506 1.00 10.00 C ATOM 0 H LEU A 14 10.312 4.964 -6.193 1.00 10.00 H new ATOM 0 HA LEU A 14 11.887 2.733 -6.665 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.329 4.690 -4.448 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.179 3.246 -3.936 1.00 10.00 H new ATOM 0 HG LEU A 14 14.011 3.641 -5.416 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.937 5.346 -7.215 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.652 4.133 -7.430 1.00 10.00 H new ATOM 0 HD13 LEU A 14 12.258 5.740 -6.773 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.686 5.980 -4.920 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.007 6.369 -4.475 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.943 5.214 -3.496 1.00 10.00 H new ATOM 218 N LEU A 15 9.697 1.951 -4.336 1.00 10.00 N ATOM 219 CA LEU A 15 9.077 0.756 -3.693 1.00 10.00 C ATOM 220 C LEU A 15 8.442 -0.155 -4.747 1.00 10.00 C ATOM 221 O LEU A 15 8.807 -1.307 -4.879 1.00 10.00 O ATOM 222 CB LEU A 15 8.014 1.319 -2.749 1.00 10.00 C ATOM 223 CG LEU A 15 8.493 1.186 -1.301 1.00 10.00 C ATOM 224 CD1 LEU A 15 9.968 1.584 -1.209 1.00 10.00 C ATOM 225 CD2 LEU A 15 7.663 2.104 -0.403 1.00 10.00 C ATOM 0 H LEU A 15 9.347 2.851 -4.008 1.00 10.00 H new ATOM 0 HA LEU A 15 9.811 0.149 -3.162 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.821 2.366 -2.985 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.074 0.784 -2.883 1.00 10.00 H new ATOM 0 HG LEU A 15 8.375 0.152 -0.975 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.307 1.489 -0.177 1.00 10.00 H new ATOM 0 HD12 LEU A 15 10.562 0.930 -1.848 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.087 2.617 -1.536 1.00 10.00 H new ATOM 0 HD21 LEU A 15 8.004 2.010 0.628 1.00 10.00 H new ATOM 0 HD22 LEU A 15 7.780 3.137 -0.731 1.00 10.00 H new ATOM 0 HD23 LEU A 15 6.612 1.821 -0.465 1.00 10.00 H new ATOM 237 N GLN A 16 7.494 0.345 -5.497 1.00 10.00 N ATOM 238 CA GLN A 16 6.845 -0.507 -6.538 1.00 10.00 C ATOM 239 C GLN A 16 7.892 -1.394 -7.212 1.00 10.00 C ATOM 240 O GLN A 16 7.848 -2.604 -7.115 1.00 10.00 O ATOM 241 CB GLN A 16 6.246 0.471 -7.546 1.00 10.00 C ATOM 242 CG GLN A 16 4.824 0.033 -7.899 1.00 10.00 C ATOM 243 CD GLN A 16 4.094 1.179 -8.599 1.00 10.00 C ATOM 244 OE1 GLN A 16 4.532 1.657 -9.628 1.00 10.00 O ATOM 245 NE2 GLN A 16 2.990 1.646 -8.083 1.00 10.00 N ATOM 0 H GLN A 16 7.143 1.301 -5.435 1.00 10.00 H new ATOM 0 HA GLN A 16 6.086 -1.166 -6.116 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.235 1.478 -7.129 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.861 0.505 -8.445 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.853 -0.843 -8.547 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.287 -0.256 -6.996 1.00 10.00 H new ATOM 0 HE21 GLN A 16 2.621 1.246 -7.220 1.00 10.00 H new ATOM 0 HE22 GLN A 16 2.496 2.411 -8.543 1.00 10.00 H new ATOM 254 N GLY A 17 8.841 -0.802 -7.884 1.00 10.00 N ATOM 255 CA GLY A 17 9.894 -1.618 -8.549 1.00 10.00 C ATOM 256 C GLY A 17 10.371 -2.692 -7.574 1.00 10.00 C ATOM 257 O GLY A 17 10.403 -3.863 -7.891 1.00 10.00 O ATOM 0 H GLY A 17 8.932 0.207 -8.001 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.499 -2.079 -9.455 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.728 -0.985 -8.851 1.00 10.00 H new ATOM 261 N TYR A 18 10.734 -2.302 -6.382 1.00 10.00 N ATOM 262 CA TYR A 18 11.198 -3.302 -5.382 1.00 10.00 C ATOM 263 C TYR A 18 10.304 -4.543 -5.433 1.00 10.00 C ATOM 264 O TYR A 18 10.742 -5.622 -5.781 1.00 10.00 O ATOM 265 CB TYR A 18 11.064 -2.600 -4.031 1.00 10.00 C ATOM 266 CG TYR A 18 12.225 -2.991 -3.152 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.524 -2.979 -3.670 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.002 -3.372 -1.824 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.604 -3.348 -2.860 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.082 -3.740 -1.012 1.00 10.00 C ATOM 271 CZ TYR A 18 14.382 -3.728 -1.530 1.00 10.00 C ATOM 272 OH TYR A 18 15.445 -4.093 -0.732 1.00 10.00 O ATOM 0 H TYR A 18 10.729 -1.335 -6.059 1.00 10.00 H new ATOM 0 HA TYR A 18 12.219 -3.635 -5.568 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.045 -1.519 -4.170 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.123 -2.877 -3.556 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.694 -2.685 -4.695 1.00 10.00 H new ATOM 0 HD2 TYR A 18 10.998 -3.382 -1.426 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.607 -3.340 -3.260 1.00 10.00 H new ATOM 0 HE2 TYR A 18 12.912 -4.033 0.013 1.00 10.00 H new ATOM 0 HH TYR A 18 15.115 -4.357 0.152 1.00 10.00 H new ATOM 282 N THR A 19 9.053 -4.397 -5.094 1.00 10.00 N ATOM 283 CA THR A 19 8.132 -5.568 -5.128 1.00 10.00 C ATOM 284 C THR A 19 8.274 -6.301 -6.466 1.00 10.00 C ATOM 285 O THR A 19 8.101 -7.498 -6.549 1.00 10.00 O ATOM 286 CB THR A 19 6.730 -4.967 -4.969 1.00 10.00 C ATOM 287 OG1 THR A 19 6.285 -5.166 -3.634 1.00 10.00 O ATOM 288 CG2 THR A 19 5.751 -5.640 -5.936 1.00 10.00 C ATOM 0 H THR A 19 8.629 -3.519 -4.795 1.00 10.00 H new ATOM 0 HA THR A 19 8.345 -6.299 -4.348 1.00 10.00 H new ATOM 0 HB THR A 19 6.772 -3.901 -5.193 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.390 -4.782 -3.527 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.760 -5.204 -5.812 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.089 -5.488 -6.961 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.706 -6.708 -5.724 1.00 10.00 H new ATOM 296 N VAL A 20 8.589 -5.589 -7.511 1.00 10.00 N ATOM 297 CA VAL A 20 8.743 -6.247 -8.839 1.00 10.00 C ATOM 298 C VAL A 20 10.103 -6.947 -8.927 1.00 10.00 C ATOM 299 O VAL A 20 10.272 -7.901 -9.657 1.00 10.00 O ATOM 300 CB VAL A 20 8.653 -5.112 -9.858 1.00 10.00 C ATOM 301 CG1 VAL A 20 9.062 -5.629 -11.238 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.213 -4.594 -9.914 1.00 10.00 C ATOM 0 H VAL A 20 8.746 -4.581 -7.504 1.00 10.00 H new ATOM 0 HA VAL A 20 7.983 -7.009 -9.014 1.00 10.00 H new ATOM 0 HB VAL A 20 9.321 -4.304 -9.562 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.997 -4.819 -11.964 1.00 10.00 H new ATOM 0 HG12 VAL A 20 10.086 -6.000 -11.199 1.00 10.00 H new ATOM 0 HG13 VAL A 20 8.394 -6.437 -11.536 1.00 10.00 H new ATOM 0 HG21 VAL A 20 7.146 -3.784 -10.640 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.546 -5.404 -10.211 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.921 -4.225 -8.931 1.00 10.00 H new ATOM 312 N GLU A 21 11.073 -6.483 -8.186 1.00 10.00 N ATOM 313 CA GLU A 21 12.417 -7.134 -8.233 1.00 10.00 C ATOM 314 C GLU A 21 12.490 -8.246 -7.190 1.00 10.00 C ATOM 315 O GLU A 21 12.915 -9.351 -7.467 1.00 10.00 O ATOM 316 CB GLU A 21 13.435 -6.038 -7.899 1.00 10.00 C ATOM 317 CG GLU A 21 12.816 -4.666 -8.133 1.00 10.00 C ATOM 318 CD GLU A 21 13.913 -3.660 -8.488 1.00 10.00 C ATOM 319 OE1 GLU A 21 15.036 -3.861 -8.058 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.610 -2.705 -9.185 1.00 10.00 O ATOM 0 H GLU A 21 10.996 -5.687 -7.553 1.00 10.00 H new ATOM 0 HA GLU A 21 12.613 -7.576 -9.210 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.754 -6.130 -6.861 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.325 -6.155 -8.518 1.00 10.00 H new ATOM 0 HG2 GLU A 21 12.083 -4.719 -8.938 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.284 -4.339 -7.239 1.00 10.00 H new ATOM 327 N VAL A 22 12.080 -7.956 -5.987 1.00 10.00 N ATOM 328 CA VAL A 22 12.122 -8.985 -4.912 1.00 10.00 C ATOM 329 C VAL A 22 11.154 -10.126 -5.238 1.00 10.00 C ATOM 330 O VAL A 22 11.276 -11.221 -4.728 1.00 10.00 O ATOM 331 CB VAL A 22 11.690 -8.249 -3.643 1.00 10.00 C ATOM 332 CG1 VAL A 22 12.138 -9.039 -2.418 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.337 -6.862 -3.608 1.00 10.00 C ATOM 0 H VAL A 22 11.716 -7.047 -5.701 1.00 10.00 H new ATOM 0 HA VAL A 22 13.110 -9.433 -4.802 1.00 10.00 H new ATOM 0 HB VAL A 22 10.605 -8.148 -3.639 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.830 -8.514 -1.514 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.682 -10.029 -2.436 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.223 -9.140 -2.427 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.028 -6.339 -2.703 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.422 -6.966 -3.614 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.022 -6.292 -4.482 1.00 10.00 H new ATOM 343 N LEU A 23A 10.195 -9.879 -6.090 1.00 10.00 N ATOM 344 CA LEU A 23A 9.226 -10.953 -6.453 1.00 10.00 C ATOM 345 C LEU A 23A 9.796 -11.813 -7.585 1.00 10.00 C ATOM 346 O LEU A 23A 9.800 -13.025 -7.513 1.00 10.00 O ATOM 347 CB LEU A 23A 7.970 -10.216 -6.915 1.00 10.00 C ATOM 348 CG LEU A 23A 6.794 -11.192 -6.973 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.485 -10.426 -6.767 1.00 10.00 C ATOM 350 CD2 LEU A 23A 6.768 -11.882 -8.339 1.00 10.00 C ATOM 0 H LEU A 23A 10.041 -8.981 -6.549 1.00 10.00 H new ATOM 0 HA LEU A 23A 9.017 -11.623 -5.619 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.744 -9.398 -6.231 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 8.137 -9.773 -7.897 1.00 10.00 H new ATOM 0 HG LEU A 23A 6.906 -11.941 -6.189 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 4.646 -11.121 -6.808 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 5.501 -9.934 -5.795 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 5.374 -9.677 -7.551 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 5.930 -12.577 -8.379 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 6.656 -11.133 -9.123 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 7.700 -12.428 -8.489 1.00 10.00 H new ATOM 362 N ARG A 24 10.283 -11.194 -8.627 1.00 10.00 N ATOM 363 CA ARG A 24 10.855 -11.980 -9.757 1.00 10.00 C ATOM 364 C ARG A 24 12.153 -12.661 -9.317 1.00 10.00 C ATOM 365 O ARG A 24 12.240 -13.871 -9.252 1.00 10.00 O ATOM 366 CB ARG A 24 11.130 -10.955 -10.858 1.00 10.00 C ATOM 367 CG ARG A 24 9.810 -10.328 -11.309 1.00 10.00 C ATOM 368 CD ARG A 24 9.690 -10.425 -12.831 1.00 10.00 C ATOM 369 NE ARG A 24 8.606 -9.469 -13.189 1.00 10.00 N ATOM 370 CZ ARG A 24 7.430 -9.579 -12.633 1.00 10.00 C ATOM 371 NH1 ARG A 24 6.558 -10.423 -13.112 1.00 10.00 N ATOM 372 NH2 ARG A 24 7.128 -8.848 -11.596 1.00 10.00 N ATOM 0 H ARG A 24 10.309 -10.181 -8.744 1.00 10.00 H new ATOM 0 HA ARG A 24 10.182 -12.767 -10.097 1.00 10.00 H new ATOM 0 HB2 ARG A 24 11.806 -10.183 -10.491 1.00 10.00 H new ATOM 0 HB3 ARG A 24 11.624 -11.435 -11.702 1.00 10.00 H new ATOM 0 HG2 ARG A 24 8.972 -10.839 -10.835 1.00 10.00 H new ATOM 0 HG3 ARG A 24 9.766 -9.285 -10.996 1.00 10.00 H new ATOM 0 HD2 ARG A 24 10.628 -10.160 -13.319 1.00 10.00 H new ATOM 0 HD3 ARG A 24 9.442 -11.439 -13.144 1.00 10.00 H new ATOM 0 HE ARG A 24 8.782 -8.729 -13.868 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.795 -10.997 -13.921 1.00 10.00 H new ATOM 0 HH12 ARG A 24 5.639 -10.509 -12.677 1.00 10.00 H new ATOM 0 HH21 ARG A 24 7.811 -8.190 -11.219 1.00 10.00 H new ATOM 0 HH22 ARG A 24 6.209 -8.934 -11.162 1.00 10.00 H new ATOM 386 N GLN A 25 13.163 -11.892 -9.010 1.00 10.00 N ATOM 387 CA GLN A 25 14.452 -12.496 -8.571 1.00 10.00 C ATOM 388 C GLN A 25 14.254 -13.272 -7.268 1.00 10.00 C ATOM 389 O GLN A 25 14.925 -14.251 -7.009 1.00 10.00 O ATOM 390 CB GLN A 25 15.392 -11.312 -8.350 1.00 10.00 C ATOM 391 CG GLN A 25 16.725 -11.579 -9.050 1.00 10.00 C ATOM 392 CD GLN A 25 17.575 -12.517 -8.191 1.00 10.00 C ATOM 393 OE1 GLN A 25 17.701 -13.688 -8.491 1.00 10.00 O ATOM 394 NE2 GLN A 25 18.167 -12.049 -7.126 1.00 10.00 N ATOM 0 H GLN A 25 13.150 -10.873 -9.044 1.00 10.00 H new ATOM 0 HA GLN A 25 14.848 -13.199 -9.304 1.00 10.00 H new ATOM 0 HB2 GLN A 25 14.941 -10.399 -8.740 1.00 10.00 H new ATOM 0 HB3 GLN A 25 15.554 -11.157 -7.283 1.00 10.00 H new ATOM 0 HG2 GLN A 25 16.550 -12.024 -10.030 1.00 10.00 H new ATOM 0 HG3 GLN A 25 17.255 -10.641 -9.216 1.00 10.00 H new ATOM 0 HE21 GLN A 25 18.061 -11.066 -6.874 1.00 10.00 H new ATOM 0 HE22 GLN A 25 18.735 -12.666 -6.546 1.00 10.00 H new ATOM 403 N GLN A 26 13.335 -12.841 -6.448 1.00 10.00 N ATOM 404 CA GLN A 26 13.089 -13.548 -5.157 1.00 10.00 C ATOM 405 C GLN A 26 14.412 -14.029 -4.559 1.00 10.00 C ATOM 406 O GLN A 26 14.688 -15.213 -4.528 1.00 10.00 O ATOM 407 CB GLN A 26 12.199 -14.738 -5.522 1.00 10.00 C ATOM 408 CG GLN A 26 10.791 -14.511 -4.965 1.00 10.00 C ATOM 409 CD GLN A 26 10.042 -15.845 -4.915 1.00 10.00 C ATOM 410 OE1 GLN A 26 10.150 -16.579 -3.952 1.00 10.00 O ATOM 411 NE2 GLN A 26 9.283 -16.191 -5.917 1.00 10.00 N ATOM 0 H GLN A 26 12.742 -12.028 -6.616 1.00 10.00 H new ATOM 0 HA GLN A 26 12.621 -12.903 -4.413 1.00 10.00 H new ATOM 0 HB2 GLN A 26 12.159 -14.857 -6.605 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.619 -15.658 -5.115 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.849 -14.076 -3.967 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.250 -13.801 -5.591 1.00 10.00 H new ATOM 0 HE21 GLN A 26 9.193 -15.575 -6.725 1.00 10.00 H new ATOM 0 HE22 GLN A 26 8.780 -17.078 -5.893 1.00 10.00 H new ATOM 420 N PRO A 27 15.190 -13.086 -4.107 1.00 10.00 N ATOM 421 CA PRO A 27 16.507 -13.403 -3.504 1.00 10.00 C ATOM 422 C PRO A 27 16.328 -14.123 -2.164 1.00 10.00 C ATOM 423 O PRO A 27 15.296 -14.014 -1.533 1.00 10.00 O ATOM 424 CB PRO A 27 17.151 -12.032 -3.308 1.00 10.00 C ATOM 425 CG PRO A 27 16.001 -11.082 -3.228 1.00 10.00 C ATOM 426 CD PRO A 27 14.921 -11.645 -4.111 1.00 10.00 C ATOM 0 HA PRO A 27 17.111 -14.067 -4.122 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.753 -12.003 -2.400 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.813 -11.783 -4.137 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.650 -10.983 -2.201 1.00 10.00 H new ATOM 0 HG3 PRO A 27 16.296 -10.087 -3.562 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.928 -11.421 -3.722 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.970 -11.231 -5.118 1.00 10.00 H new ATOM 434 N PRO A 28 17.351 -14.833 -1.774 1.00 10.00 N ATOM 435 CA PRO A 28 17.320 -15.580 -0.495 1.00 10.00 C ATOM 436 C PRO A 28 17.332 -14.608 0.687 1.00 10.00 C ATOM 437 O PRO A 28 16.940 -14.945 1.788 1.00 10.00 O ATOM 438 CB PRO A 28 18.601 -16.413 -0.536 1.00 10.00 C ATOM 439 CG PRO A 28 19.507 -15.670 -1.460 1.00 10.00 C ATOM 440 CD PRO A 28 18.622 -15.007 -2.481 1.00 10.00 C ATOM 0 HA PRO A 28 16.427 -16.193 -0.374 1.00 10.00 H new ATOM 0 HB2 PRO A 28 19.041 -16.511 0.456 1.00 10.00 H new ATOM 0 HB3 PRO A 28 18.406 -17.422 -0.899 1.00 10.00 H new ATOM 0 HG2 PRO A 28 20.094 -14.930 -0.916 1.00 10.00 H new ATOM 0 HG3 PRO A 28 20.213 -16.348 -1.940 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.033 -14.052 -2.808 1.00 10.00 H new ATOM 0 HD3 PRO A 28 18.504 -15.625 -3.371 1.00 10.00 H new ATOM 448 N ASP A 29 17.777 -13.403 0.465 1.00 10.00 N ATOM 449 CA ASP A 29 17.814 -12.401 1.569 1.00 10.00 C ATOM 450 C ASP A 29 17.515 -11.006 1.014 1.00 10.00 C ATOM 451 O ASP A 29 18.203 -10.512 0.143 1.00 10.00 O ATOM 452 CB ASP A 29 19.236 -12.463 2.138 1.00 10.00 C ATOM 453 CG ASP A 29 20.174 -13.142 1.136 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.196 -14.362 1.107 1.00 10.00 O ATOM 455 OD2 ASP A 29 20.855 -12.430 0.416 1.00 10.00 O ATOM 0 H ASP A 29 18.118 -13.067 -0.436 1.00 10.00 H new ATOM 0 HA ASP A 29 17.070 -12.610 2.338 1.00 10.00 H new ATOM 0 HB2 ASP A 29 19.593 -11.457 2.357 1.00 10.00 H new ATOM 0 HB3 ASP A 29 19.236 -13.013 3.079 1.00 10.00 H new ATOM 460 N LEU A 30 16.489 -10.371 1.507 1.00 10.00 N ATOM 461 CA LEU A 30 16.136 -9.011 1.004 1.00 10.00 C ATOM 462 C LEU A 30 17.183 -7.989 1.447 1.00 10.00 C ATOM 463 O LEU A 30 17.925 -7.464 0.642 1.00 10.00 O ATOM 464 CB LEU A 30 14.787 -8.696 1.649 1.00 10.00 C ATOM 465 CG LEU A 30 13.816 -8.148 0.601 1.00 10.00 C ATOM 466 CD1 LEU A 30 12.793 -7.247 1.289 1.00 10.00 C ATOM 467 CD2 LEU A 30 14.581 -7.335 -0.448 1.00 10.00 C ATOM 0 H LEU A 30 15.877 -10.734 2.238 1.00 10.00 H new ATOM 0 HA LEU A 30 16.096 -8.973 -0.085 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.373 -9.597 2.103 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.919 -7.968 2.449 1.00 10.00 H new ATOM 0 HG LEU A 30 13.310 -8.979 0.110 1.00 10.00 H new ATOM 0 HD11 LEU A 30 12.098 -6.853 0.547 1.00 10.00 H new ATOM 0 HD12 LEU A 30 12.242 -7.823 2.032 1.00 10.00 H new ATOM 0 HD13 LEU A 30 13.307 -6.420 1.779 1.00 10.00 H new ATOM 0 HD21 LEU A 30 13.882 -6.949 -1.190 1.00 10.00 H new ATOM 0 HD22 LEU A 30 15.091 -6.503 0.037 1.00 10.00 H new ATOM 0 HD23 LEU A 30 15.315 -7.974 -0.939 1.00 10.00 H new ATOM 479 N VAL A 31 17.242 -7.703 2.720 1.00 10.00 N ATOM 480 CA VAL A 31 18.237 -6.710 3.234 1.00 10.00 C ATOM 481 C VAL A 31 19.411 -6.579 2.264 1.00 10.00 C ATOM 482 O VAL A 31 19.611 -5.555 1.644 1.00 10.00 O ATOM 483 CB VAL A 31 18.719 -7.293 4.560 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.464 -6.216 5.353 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.512 -7.777 5.369 1.00 10.00 C ATOM 0 H VAL A 31 16.641 -8.116 3.433 1.00 10.00 H new ATOM 0 HA VAL A 31 17.803 -5.716 3.347 1.00 10.00 H new ATOM 0 HB VAL A 31 19.390 -8.130 4.367 1.00 10.00 H new ATOM 0 HG11 VAL A 31 19.808 -6.633 6.299 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.322 -5.868 4.777 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.794 -5.379 5.548 1.00 10.00 H new ATOM 0 HG21 VAL A 31 17.853 -8.194 6.317 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.843 -6.938 5.561 1.00 10.00 H new ATOM 0 HG23 VAL A 31 16.980 -8.544 4.806 1.00 10.00 H new ATOM 495 N ASP A 32 20.182 -7.620 2.126 1.00 10.00 N ATOM 496 CA ASP A 32 21.339 -7.573 1.194 1.00 10.00 C ATOM 497 C ASP A 32 20.863 -7.129 -0.194 1.00 10.00 C ATOM 498 O ASP A 32 21.416 -6.229 -0.793 1.00 10.00 O ATOM 499 CB ASP A 32 21.866 -9.010 1.178 1.00 10.00 C ATOM 500 CG ASP A 32 21.623 -9.649 -0.192 1.00 10.00 C ATOM 501 OD1 ASP A 32 22.484 -9.516 -1.047 1.00 10.00 O ATOM 502 OD2 ASP A 32 20.580 -10.257 -0.364 1.00 10.00 O ATOM 0 H ASP A 32 20.060 -8.504 2.621 1.00 10.00 H new ATOM 0 HA ASP A 32 22.112 -6.866 1.494 1.00 10.00 H new ATOM 0 HB2 ASP A 32 22.932 -9.016 1.406 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.371 -9.595 1.953 1.00 10.00 H new ATOM 507 N PHE A 33 19.830 -7.746 -0.700 1.00 10.00 N ATOM 508 CA PHE A 33 19.308 -7.350 -2.039 1.00 10.00 C ATOM 509 C PHE A 33 19.007 -5.850 -2.050 1.00 10.00 C ATOM 510 O PHE A 33 19.220 -5.168 -3.033 1.00 10.00 O ATOM 511 CB PHE A 33 18.022 -8.156 -2.225 1.00 10.00 C ATOM 512 CG PHE A 33 17.370 -7.769 -3.532 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.813 -8.339 -4.732 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.322 -6.840 -3.543 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.209 -7.980 -5.943 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.717 -6.481 -4.755 1.00 10.00 C ATOM 517 CZ PHE A 33 16.161 -7.052 -5.954 1.00 10.00 C ATOM 0 H PHE A 33 19.325 -8.506 -0.245 1.00 10.00 H new ATOM 0 HA PHE A 33 20.023 -7.545 -2.839 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.245 -9.223 -2.219 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.339 -7.968 -1.396 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.621 -9.056 -4.723 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.980 -6.400 -2.618 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.552 -8.419 -6.868 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.909 -5.765 -4.764 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.694 -6.776 -6.888 1.00 10.00 H new ATOM 527 N ALA A 34 18.515 -5.332 -0.957 1.00 10.00 N ATOM 528 CA ALA A 34 18.202 -3.876 -0.894 1.00 10.00 C ATOM 529 C ALA A 34 19.483 -3.058 -1.064 1.00 10.00 C ATOM 530 O ALA A 34 19.548 -2.144 -1.862 1.00 10.00 O ATOM 531 CB ALA A 34 17.613 -3.658 0.499 1.00 10.00 C ATOM 0 H ALA A 34 18.316 -5.855 -0.104 1.00 10.00 H new ATOM 0 HA ALA A 34 17.515 -3.565 -1.681 1.00 10.00 H new ATOM 0 HB1 ALA A 34 17.356 -2.606 0.625 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.717 -4.267 0.614 1.00 10.00 H new ATOM 0 HB3 ALA A 34 18.346 -3.945 1.253 1.00 10.00 H new ATOM 537 N VAL A 35 20.503 -3.381 -0.319 1.00 10.00 N ATOM 538 CA VAL A 35 21.773 -2.637 -0.428 1.00 10.00 C ATOM 539 C VAL A 35 22.362 -2.798 -1.831 1.00 10.00 C ATOM 540 O VAL A 35 23.163 -2.000 -2.273 1.00 10.00 O ATOM 541 CB VAL A 35 22.662 -3.297 0.618 1.00 10.00 C ATOM 542 CG1 VAL A 35 24.053 -2.702 0.537 1.00 10.00 C ATOM 543 CG2 VAL A 35 22.080 -3.051 2.011 1.00 10.00 C ATOM 0 H VAL A 35 20.504 -4.137 0.365 1.00 10.00 H new ATOM 0 HA VAL A 35 21.662 -1.565 -0.267 1.00 10.00 H new ATOM 0 HB VAL A 35 22.712 -4.370 0.433 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.693 -3.171 1.284 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.466 -2.877 -0.456 1.00 10.00 H new ATOM 0 HG13 VAL A 35 24.002 -1.630 0.725 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.716 -3.523 2.760 1.00 10.00 H new ATOM 0 HG22 VAL A 35 22.031 -1.979 2.201 1.00 10.00 H new ATOM 0 HG23 VAL A 35 21.078 -3.475 2.067 1.00 10.00 H new ATOM 553 N GLU A 36 21.970 -3.826 -2.534 1.00 10.00 N ATOM 554 CA GLU A 36 22.505 -4.037 -3.910 1.00 10.00 C ATOM 555 C GLU A 36 21.687 -3.236 -4.927 1.00 10.00 C ATOM 556 O GLU A 36 22.227 -2.524 -5.749 1.00 10.00 O ATOM 557 CB GLU A 36 22.353 -5.537 -4.165 1.00 10.00 C ATOM 558 CG GLU A 36 23.369 -6.304 -3.317 1.00 10.00 C ATOM 559 CD GLU A 36 24.191 -7.228 -4.218 1.00 10.00 C ATOM 560 OE1 GLU A 36 23.774 -7.452 -5.342 1.00 10.00 O ATOM 561 OE2 GLU A 36 25.224 -7.696 -3.768 1.00 10.00 O ATOM 0 H GLU A 36 21.303 -4.529 -2.215 1.00 10.00 H new ATOM 0 HA GLU A 36 23.539 -3.707 -4.006 1.00 10.00 H new ATOM 0 HB2 GLU A 36 21.341 -5.858 -3.918 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.507 -5.755 -5.222 1.00 10.00 H new ATOM 0 HG2 GLU A 36 24.026 -5.606 -2.798 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.855 -6.887 -2.553 1.00 10.00 H new ATOM 568 N TYR A 37 20.388 -3.351 -4.878 1.00 10.00 N ATOM 569 CA TYR A 37 19.535 -2.598 -5.843 1.00 10.00 C ATOM 570 C TYR A 37 19.712 -1.090 -5.648 1.00 10.00 C ATOM 571 O TYR A 37 20.006 -0.365 -6.577 1.00 10.00 O ATOM 572 CB TYR A 37 18.102 -3.018 -5.512 1.00 10.00 C ATOM 573 CG TYR A 37 17.133 -2.066 -6.170 1.00 10.00 C ATOM 574 CD1 TYR A 37 16.962 -2.090 -7.560 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.404 -1.158 -5.391 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.063 -1.207 -8.170 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.505 -0.275 -6.002 1.00 10.00 C ATOM 578 CZ TYR A 37 15.335 -0.300 -7.391 1.00 10.00 C ATOM 579 OH TYR A 37 14.449 0.570 -7.993 1.00 10.00 O ATOM 0 H TYR A 37 19.880 -3.933 -4.212 1.00 10.00 H new ATOM 0 HA TYR A 37 19.796 -2.813 -6.879 1.00 10.00 H new ATOM 0 HB2 TYR A 37 17.921 -4.035 -5.859 1.00 10.00 H new ATOM 0 HB3 TYR A 37 17.952 -3.018 -4.432 1.00 10.00 H new ATOM 0 HD1 TYR A 37 17.524 -2.790 -8.161 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.535 -1.139 -4.319 1.00 10.00 H new ATOM 0 HE1 TYR A 37 15.931 -1.226 -9.242 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.943 0.425 -5.402 1.00 10.00 H new ATOM 0 HH TYR A 37 14.026 1.131 -7.310 1.00 10.00 H new ATOM 589 N PHE A 38 19.531 -0.613 -4.447 1.00 10.00 N ATOM 590 CA PHE A 38 19.683 0.849 -4.195 1.00 10.00 C ATOM 591 C PHE A 38 21.120 1.295 -4.485 1.00 10.00 C ATOM 592 O PHE A 38 21.351 2.228 -5.227 1.00 10.00 O ATOM 593 CB PHE A 38 19.349 1.032 -2.715 1.00 10.00 C ATOM 594 CG PHE A 38 17.857 1.208 -2.556 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.192 2.215 -3.267 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.140 0.364 -1.701 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.809 2.379 -3.120 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.756 0.526 -1.555 1.00 10.00 C ATOM 599 CZ PHE A 38 15.091 1.534 -2.266 1.00 10.00 C ATOM 0 H PHE A 38 19.285 -1.171 -3.630 1.00 10.00 H new ATOM 0 HA PHE A 38 19.035 1.447 -4.836 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.687 0.167 -2.145 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.873 1.901 -2.317 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.746 2.865 -3.928 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.653 -0.413 -1.153 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.297 3.157 -3.666 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.202 -0.125 -0.895 1.00 10.00 H new ATOM 0 HZ PHE A 38 14.024 1.659 -2.155 1.00 10.00 H new ATOM 609 N THR A 39 22.088 0.638 -3.906 1.00 10.00 N ATOM 610 CA THR A 39 23.504 1.035 -4.157 1.00 10.00 C ATOM 611 C THR A 39 23.747 1.186 -5.659 1.00 10.00 C ATOM 612 O THR A 39 24.185 2.218 -6.127 1.00 10.00 O ATOM 613 CB THR A 39 24.348 -0.108 -3.591 1.00 10.00 C ATOM 614 OG1 THR A 39 24.361 -0.027 -2.173 1.00 10.00 O ATOM 615 CG2 THR A 39 25.778 -0.002 -4.122 1.00 10.00 C ATOM 0 H THR A 39 21.962 -0.152 -3.273 1.00 10.00 H new ATOM 0 HA THR A 39 23.753 1.990 -3.694 1.00 10.00 H new ATOM 0 HB THR A 39 23.919 -1.062 -3.898 1.00 10.00 H new ATOM 0 HG1 THR A 39 24.102 -0.893 -1.794 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.378 -0.817 -3.717 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.768 -0.064 -5.210 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.209 0.951 -3.817 1.00 10.00 H new ATOM 623 N ARG A 40 23.464 0.164 -6.421 1.00 10.00 N ATOM 624 CA ARG A 40 23.677 0.251 -7.893 1.00 10.00 C ATOM 625 C ARG A 40 22.925 1.456 -8.464 1.00 10.00 C ATOM 626 O ARG A 40 23.334 2.047 -9.443 1.00 10.00 O ATOM 627 CB ARG A 40 23.112 -1.054 -8.454 1.00 10.00 C ATOM 628 CG ARG A 40 24.193 -1.771 -9.266 1.00 10.00 C ATOM 629 CD ARG A 40 24.556 -3.091 -8.582 1.00 10.00 C ATOM 630 NE ARG A 40 25.597 -2.731 -7.579 1.00 10.00 N ATOM 631 CZ ARG A 40 26.824 -3.153 -7.729 1.00 10.00 C ATOM 632 NH1 ARG A 40 27.056 -4.297 -8.315 1.00 10.00 N ATOM 633 NH2 ARG A 40 27.820 -2.432 -7.290 1.00 10.00 N ATOM 0 H ARG A 40 23.095 -0.726 -6.087 1.00 10.00 H new ATOM 0 HA ARG A 40 24.728 0.382 -8.153 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.769 -1.693 -7.641 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.247 -0.847 -9.084 1.00 10.00 H new ATOM 0 HG2 ARG A 40 23.836 -1.960 -10.279 1.00 10.00 H new ATOM 0 HG3 ARG A 40 25.077 -1.139 -9.352 1.00 10.00 H new ATOM 0 HD2 ARG A 40 23.686 -3.540 -8.104 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.935 -3.817 -9.301 1.00 10.00 H new ATOM 0 HE ARG A 40 25.351 -2.154 -6.774 1.00 10.00 H new ATOM 0 HH11 ARG A 40 26.278 -4.862 -8.656 1.00 10.00 H new ATOM 0 HH12 ARG A 40 28.015 -4.625 -8.431 1.00 10.00 H new ATOM 0 HH21 ARG A 40 27.640 -1.540 -6.830 1.00 10.00 H new ATOM 0 HH22 ARG A 40 28.778 -2.761 -7.407 1.00 10.00 H new ATOM 647 N LEU A 41 21.829 1.824 -7.858 1.00 10.00 N ATOM 648 CA LEU A 41 21.055 2.993 -8.369 1.00 10.00 C ATOM 649 C LEU A 41 21.886 4.272 -8.227 1.00 10.00 C ATOM 650 O LEU A 41 22.086 5.002 -9.178 1.00 10.00 O ATOM 651 CB LEU A 41 19.807 3.059 -7.487 1.00 10.00 C ATOM 652 CG LEU A 41 18.564 2.773 -8.336 1.00 10.00 C ATOM 653 CD1 LEU A 41 18.800 1.522 -9.184 1.00 10.00 C ATOM 654 CD2 LEU A 41 17.361 2.543 -7.417 1.00 10.00 C ATOM 0 H LEU A 41 21.437 1.368 -7.034 1.00 10.00 H new ATOM 0 HA LEU A 41 20.799 2.894 -9.424 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.882 2.333 -6.678 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.727 4.043 -7.026 1.00 10.00 H new ATOM 0 HG LEU A 41 18.368 3.624 -8.989 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.915 1.319 -9.788 1.00 10.00 H new ATOM 0 HD12 LEU A 41 19.657 1.682 -9.838 1.00 10.00 H new ATOM 0 HD13 LEU A 41 18.996 0.672 -8.531 1.00 10.00 H new ATOM 0 HD21 LEU A 41 16.476 2.339 -8.020 1.00 10.00 H new ATOM 0 HD22 LEU A 41 17.559 1.693 -6.765 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.190 3.433 -6.811 1.00 10.00 H new ATOM 666 N ARG A 42 22.379 4.545 -7.050 1.00 10.00 N ATOM 667 CA ARG A 42 23.202 5.772 -6.853 1.00 10.00 C ATOM 668 C ARG A 42 24.534 5.631 -7.595 1.00 10.00 C ATOM 669 O ARG A 42 25.256 6.590 -7.789 1.00 10.00 O ATOM 670 CB ARG A 42 23.432 5.857 -5.344 1.00 10.00 C ATOM 671 CG ARG A 42 22.652 7.043 -4.776 1.00 10.00 C ATOM 672 CD ARG A 42 23.630 8.135 -4.338 1.00 10.00 C ATOM 673 NE ARG A 42 22.902 9.414 -4.568 1.00 10.00 N ATOM 674 CZ ARG A 42 23.486 10.551 -4.310 1.00 10.00 C ATOM 675 NH1 ARG A 42 24.781 10.597 -4.150 1.00 10.00 N ATOM 676 NH2 ARG A 42 22.776 11.641 -4.213 1.00 10.00 N ATOM 0 H ARG A 42 22.248 3.972 -6.217 1.00 10.00 H new ATOM 0 HA ARG A 42 22.714 6.667 -7.239 1.00 10.00 H new ATOM 0 HB2 ARG A 42 23.110 4.933 -4.864 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.495 5.973 -5.133 1.00 10.00 H new ATOM 0 HG2 ARG A 42 21.966 7.434 -5.528 1.00 10.00 H new ATOM 0 HG3 ARG A 42 22.046 6.721 -3.929 1.00 10.00 H new ATOM 0 HD2 ARG A 42 23.907 8.021 -3.290 1.00 10.00 H new ATOM 0 HD3 ARG A 42 24.552 8.095 -4.917 1.00 10.00 H new ATOM 0 HE ARG A 42 21.947 9.400 -4.927 1.00 10.00 H new ATOM 0 HH11 ARG A 42 25.335 9.744 -4.227 1.00 10.00 H new ATOM 0 HH12 ARG A 42 25.239 11.486 -3.948 1.00 10.00 H new ATOM 0 HH21 ARG A 42 21.764 11.604 -4.339 1.00 10.00 H new ATOM 0 HH22 ARG A 42 23.232 12.531 -4.011 1.00 10.00 H new ATOM 690 N GLU A 43 24.862 4.439 -8.012 1.00 10.00 N ATOM 691 CA GLU A 43 26.140 4.220 -8.745 1.00 10.00 C ATOM 692 C GLU A 43 25.851 4.002 -10.235 1.00 10.00 C ATOM 693 O GLU A 43 26.744 3.999 -11.058 1.00 10.00 O ATOM 694 CB GLU A 43 26.739 2.961 -8.103 1.00 10.00 C ATOM 695 CG GLU A 43 27.425 2.094 -9.164 1.00 10.00 C ATOM 696 CD GLU A 43 28.735 2.753 -9.599 1.00 10.00 C ATOM 697 OE1 GLU A 43 29.584 2.957 -8.747 1.00 10.00 O ATOM 698 OE2 GLU A 43 28.867 3.042 -10.776 1.00 10.00 O ATOM 0 H GLU A 43 24.295 3.602 -7.875 1.00 10.00 H new ATOM 0 HA GLU A 43 26.822 5.068 -8.681 1.00 10.00 H new ATOM 0 HB2 GLU A 43 27.459 3.244 -7.335 1.00 10.00 H new ATOM 0 HB3 GLU A 43 25.954 2.389 -7.609 1.00 10.00 H new ATOM 0 HG2 GLU A 43 27.622 1.100 -8.763 1.00 10.00 H new ATOM 0 HG3 GLU A 43 26.768 1.966 -10.024 1.00 10.00 H new ATOM 915 N LEU B 11 7.711 -8.024 3.163 1.00 10.00 N ATOM 916 CA LEU B 11 8.353 -6.747 2.741 1.00 10.00 C ATOM 917 C LEU B 11 7.696 -5.564 3.455 1.00 10.00 C ATOM 918 O LEU B 11 8.310 -4.537 3.671 1.00 10.00 O ATOM 919 CB LEU B 11 8.115 -6.661 1.233 1.00 10.00 C ATOM 920 CG LEU B 11 9.405 -6.224 0.539 1.00 10.00 C ATOM 921 CD1 LEU B 11 9.375 -6.669 -0.924 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.529 -4.701 0.606 1.00 10.00 C ATOM 0 HA LEU B 11 9.414 -6.718 2.988 1.00 10.00 H new ATOM 0 HB2 LEU B 11 7.792 -7.629 0.849 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.316 -5.951 1.020 1.00 10.00 H new ATOM 0 HG LEU B 11 10.259 -6.681 1.039 1.00 10.00 H new ATOM 0 HD11 LEU B 11 10.295 -6.357 -1.418 1.00 10.00 H new ATOM 0 HD12 LEU B 11 9.287 -7.754 -0.972 1.00 10.00 H new ATOM 0 HD13 LEU B 11 8.521 -6.213 -1.426 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.449 -4.389 0.111 1.00 10.00 H new ATOM 0 HD22 LEU B 11 8.675 -4.244 0.106 1.00 10.00 H new ATOM 0 HD23 LEU B 11 9.552 -4.383 1.648 1.00 10.00 H new ATOM 934 N THR B 12 6.452 -5.698 3.821 1.00 10.00 N ATOM 935 CA THR B 12 5.756 -4.581 4.519 1.00 10.00 C ATOM 936 C THR B 12 6.630 -4.037 5.650 1.00 10.00 C ATOM 937 O THR B 12 6.773 -2.843 5.820 1.00 10.00 O ATOM 938 CB THR B 12 4.474 -5.200 5.080 1.00 10.00 C ATOM 939 OG1 THR B 12 3.678 -5.688 4.007 1.00 10.00 O ATOM 940 CG2 THR B 12 3.691 -4.143 5.859 1.00 10.00 C ATOM 0 H THR B 12 5.887 -6.533 3.667 1.00 10.00 H new ATOM 0 HA THR B 12 5.546 -3.745 3.852 1.00 10.00 H new ATOM 0 HB THR B 12 4.730 -6.022 5.748 1.00 10.00 H new ATOM 0 HG1 THR B 12 2.857 -6.087 4.364 1.00 10.00 H new ATOM 0 HG21 THR B 12 2.778 -4.586 6.257 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.302 -3.770 6.681 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.433 -3.318 5.195 1.00 10.00 H new ATOM 948 N GLU B 13 7.214 -4.907 6.420 1.00 10.00 N ATOM 949 CA GLU B 13 8.081 -4.450 7.546 1.00 10.00 C ATOM 950 C GLU B 13 9.137 -3.461 7.045 1.00 10.00 C ATOM 951 O GLU B 13 9.012 -2.265 7.216 1.00 10.00 O ATOM 952 CB GLU B 13 8.745 -5.723 8.070 1.00 10.00 C ATOM 953 CG GLU B 13 7.948 -6.264 9.258 1.00 10.00 C ATOM 954 CD GLU B 13 8.615 -5.826 10.562 1.00 10.00 C ATOM 955 OE1 GLU B 13 9.573 -5.075 10.492 1.00 10.00 O ATOM 956 OE2 GLU B 13 8.156 -6.250 11.611 1.00 10.00 O ATOM 0 H GLU B 13 7.130 -5.919 6.321 1.00 10.00 H new ATOM 0 HA GLU B 13 7.512 -3.934 8.319 1.00 10.00 H new ATOM 0 HB2 GLU B 13 8.793 -6.472 7.280 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.771 -5.512 8.373 1.00 10.00 H new ATOM 0 HG2 GLU B 13 6.923 -5.895 9.220 1.00 10.00 H new ATOM 0 HG3 GLU B 13 7.898 -7.352 9.211 1.00 10.00 H new ATOM 963 N LEU B 14 10.179 -3.954 6.433 1.00 10.00 N ATOM 964 CA LEU B 14 11.250 -3.049 5.924 1.00 10.00 C ATOM 965 C LEU B 14 10.645 -1.787 5.302 1.00 10.00 C ATOM 966 O LEU B 14 11.012 -0.680 5.642 1.00 10.00 O ATOM 967 CB LEU B 14 11.983 -3.871 4.863 1.00 10.00 C ATOM 968 CG LEU B 14 13.281 -4.433 5.450 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.027 -4.941 6.870 1.00 10.00 C ATOM 970 CD2 LEU B 14 13.772 -5.590 4.577 1.00 10.00 C ATOM 0 H LEU B 14 10.336 -4.947 6.263 1.00 10.00 H new ATOM 0 HA LEU B 14 11.915 -2.713 6.720 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.347 -4.685 4.517 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.204 -3.249 3.996 1.00 10.00 H new ATOM 0 HG LEU B 14 14.036 -3.647 5.478 1.00 10.00 H new ATOM 0 HD11 LEU B 14 13.953 -5.340 7.285 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.675 -4.119 7.493 1.00 10.00 H new ATOM 0 HD13 LEU B 14 12.272 -5.727 6.846 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.696 -5.992 4.992 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.014 -6.373 4.551 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.956 -5.230 3.565 1.00 10.00 H new ATOM 982 N LEU B 15 9.728 -1.944 4.388 1.00 10.00 N ATOM 983 CA LEU B 15 9.110 -0.750 3.741 1.00 10.00 C ATOM 984 C LEU B 15 8.476 0.167 4.791 1.00 10.00 C ATOM 985 O LEU B 15 8.843 1.318 4.918 1.00 10.00 O ATOM 986 CB LEU B 15 8.045 -1.316 2.800 1.00 10.00 C ATOM 987 CG LEU B 15 8.526 -1.199 1.353 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.000 -1.605 1.267 1.00 10.00 C ATOM 989 CD2 LEU B 15 7.693 -2.124 0.463 1.00 10.00 C ATOM 0 H LEU B 15 9.380 -2.845 4.061 1.00 10.00 H new ATOM 0 HA LEU B 15 9.845 -0.146 3.209 1.00 10.00 H new ATOM 0 HB2 LEU B 15 7.846 -2.359 3.045 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.108 -0.775 2.927 1.00 10.00 H new ATOM 0 HG LEU B 15 8.413 -0.168 1.017 1.00 10.00 H new ATOM 0 HD11 LEU B 15 10.341 -1.521 0.235 1.00 10.00 H new ATOM 0 HD12 LEU B 15 10.596 -0.948 1.901 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.114 -2.635 1.604 1.00 10.00 H new ATOM 0 HD21 LEU B 15 8.035 -2.041 -0.569 1.00 10.00 H new ATOM 0 HD22 LEU B 15 7.807 -3.154 0.802 1.00 10.00 H new ATOM 0 HD23 LEU B 15 6.643 -1.837 0.521 1.00 10.00 H new ATOM 1001 N GLN B 16 7.528 -0.327 5.544 1.00 10.00 N ATOM 1002 CA GLN B 16 6.882 0.531 6.580 1.00 10.00 C ATOM 1003 C GLN B 16 7.932 1.420 7.247 1.00 10.00 C ATOM 1004 O GLN B 16 7.892 2.630 7.144 1.00 10.00 O ATOM 1005 CB GLN B 16 6.282 -0.443 7.594 1.00 10.00 C ATOM 1006 CG GLN B 16 4.862 0.002 7.949 1.00 10.00 C ATOM 1007 CD GLN B 16 4.131 -1.136 8.663 1.00 10.00 C ATOM 1008 OE1 GLN B 16 4.567 -1.598 9.699 1.00 10.00 O ATOM 1009 NE2 GLN B 16 3.028 -1.610 8.151 1.00 10.00 N ATOM 0 H GLN B 16 7.175 -1.282 5.487 1.00 10.00 H new ATOM 0 HA GLN B 16 6.123 1.189 6.157 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.266 -1.451 7.180 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.899 -0.476 8.492 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.896 0.884 8.589 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.322 0.284 7.045 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.662 -1.223 7.281 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.532 -2.368 8.620 1.00 10.00 H new ATOM 1018 N GLY B 17 8.880 0.830 7.923 1.00 10.00 N ATOM 1019 CA GLY B 17 9.935 1.647 8.582 1.00 10.00 C ATOM 1020 C GLY B 17 10.413 2.716 7.602 1.00 10.00 C ATOM 1021 O GLY B 17 10.448 3.890 7.914 1.00 10.00 O ATOM 0 H GLY B 17 8.969 -0.179 8.046 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.542 2.112 9.486 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.768 1.013 8.886 1.00 10.00 H new ATOM 1025 N TYR B 18 10.772 2.319 6.411 1.00 10.00 N ATOM 1026 CA TYR B 18 11.238 3.312 5.405 1.00 10.00 C ATOM 1027 C TYR B 18 10.349 4.556 5.447 1.00 10.00 C ATOM 1028 O TYR B 18 10.789 5.637 5.786 1.00 10.00 O ATOM 1029 CB TYR B 18 11.102 2.602 4.060 1.00 10.00 C ATOM 1030 CG TYR B 18 12.263 2.984 3.179 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.562 2.970 3.697 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.042 3.355 1.848 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.644 3.328 2.884 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.122 3.713 1.034 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.423 3.700 1.551 1.00 10.00 C ATOM 1036 OH TYR B 18 15.486 4.056 0.749 1.00 10.00 O ATOM 0 H TYR B 18 10.762 1.350 6.093 1.00 10.00 H new ATOM 0 HA TYR B 18 12.260 3.643 5.589 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.081 1.522 4.206 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.162 2.878 3.583 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.730 2.683 4.724 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.038 3.365 1.449 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.647 3.318 3.283 1.00 10.00 H new ATOM 0 HE2 TYR B 18 12.952 3.999 0.007 1.00 10.00 H new ATOM 0 HH TYR B 18 15.155 4.316 -0.136 1.00 10.00 H new ATOM 1046 N THR B 19 9.097 4.408 5.112 1.00 10.00 N ATOM 1047 CA THR B 19 8.178 5.580 5.139 1.00 10.00 C ATOM 1048 C THR B 19 8.323 6.323 6.471 1.00 10.00 C ATOM 1049 O THR B 19 8.155 7.521 6.545 1.00 10.00 O ATOM 1050 CB THR B 19 6.774 4.981 4.986 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.327 5.169 3.651 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.800 5.666 5.950 1.00 10.00 C ATOM 0 H THR B 19 8.671 3.528 4.821 1.00 10.00 H new ATOM 0 HA THR B 19 8.391 6.304 4.353 1.00 10.00 H new ATOM 0 HB THR B 19 6.813 3.917 5.218 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.431 4.786 3.549 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.807 5.233 5.833 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.140 5.521 6.975 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.759 6.733 5.729 1.00 10.00 H new ATOM 1060 N VAL B 20 8.637 5.618 7.522 1.00 10.00 N ATOM 1061 CA VAL B 20 8.794 6.287 8.845 1.00 10.00 C ATOM 1062 C VAL B 20 10.155 6.986 8.926 1.00 10.00 C ATOM 1063 O VAL B 20 10.325 7.946 9.649 1.00 10.00 O ATOM 1064 CB VAL B 20 8.704 5.160 9.874 1.00 10.00 C ATOM 1065 CG1 VAL B 20 9.111 5.689 11.250 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.264 4.643 9.936 1.00 10.00 C ATOM 0 H VAL B 20 8.792 4.610 7.523 1.00 10.00 H new ATOM 0 HA VAL B 20 8.036 7.051 9.014 1.00 10.00 H new ATOM 0 HB VAL B 20 9.373 4.350 9.584 1.00 10.00 H new ATOM 0 HG11 VAL B 20 9.046 4.885 11.983 1.00 10.00 H new ATOM 0 HG12 VAL B 20 10.135 6.061 11.209 1.00 10.00 H new ATOM 0 HG13 VAL B 20 8.442 6.499 11.541 1.00 10.00 H new ATOM 0 HG21 VAL B 20 7.197 3.839 10.669 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.598 5.455 10.227 1.00 10.00 H new ATOM 0 HG23 VAL B 20 6.970 4.266 8.956 1.00 10.00 H new ATOM 1076 N GLU B 21 11.123 6.518 8.186 1.00 10.00 N ATOM 1077 CA GLU B 21 12.469 7.169 8.227 1.00 10.00 C ATOM 1078 C GLU B 21 12.542 8.272 7.174 1.00 10.00 C ATOM 1079 O GLU B 21 12.963 9.380 7.443 1.00 10.00 O ATOM 1080 CB GLU B 21 13.485 6.071 7.898 1.00 10.00 C ATOM 1081 CG GLU B 21 12.863 4.700 8.143 1.00 10.00 C ATOM 1082 CD GLU B 21 13.956 3.696 8.505 1.00 10.00 C ATOM 1083 OE1 GLU B 21 15.086 3.904 8.092 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.647 2.735 9.190 1.00 10.00 O ATOM 0 H GLU B 21 11.044 5.718 7.558 1.00 10.00 H new ATOM 0 HA GLU B 21 12.666 7.618 9.201 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.802 6.156 6.859 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.376 6.191 8.514 1.00 10.00 H new ATOM 0 HG2 GLU B 21 12.131 4.761 8.948 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.331 4.367 7.252 1.00 10.00 H new ATOM 1091 N VAL B 22 12.134 7.970 5.975 1.00 10.00 N ATOM 1092 CA VAL B 22 12.176 8.990 4.892 1.00 10.00 C ATOM 1093 C VAL B 22 11.209 10.135 5.209 1.00 10.00 C ATOM 1094 O VAL B 22 11.334 11.225 4.689 1.00 10.00 O ATOM 1095 CB VAL B 22 11.742 8.244 3.629 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.191 9.028 2.399 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.389 6.857 3.601 1.00 10.00 C ATOM 0 H VAL B 22 11.772 7.058 5.697 1.00 10.00 H new ATOM 0 HA VAL B 22 13.164 9.436 4.778 1.00 10.00 H new ATOM 0 HB VAL B 22 10.657 8.141 3.627 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.883 8.498 1.498 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.735 10.018 2.412 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.276 9.128 2.408 1.00 10.00 H new ATOM 0 HG21 VAL B 22 12.078 6.328 2.700 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.474 6.962 3.604 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.077 6.292 4.479 1.00 10.00 H new ATOM 1107 N LEU B 23B 10.253 9.896 6.064 1.00 10.00 N ATOM 1108 CA LEU B 23B 9.286 10.975 6.418 1.00 10.00 C ATOM 1109 C LEU B 23B 9.860 11.843 7.542 1.00 10.00 C ATOM 1110 O LEU B 23B 9.865 13.055 7.460 1.00 10.00 O ATOM 1111 CB LEU B 23B 8.028 10.243 6.889 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.851 11.220 6.938 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.542 10.451 6.746 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 6.829 11.926 8.295 1.00 10.00 C ATOM 0 H LEU B 23B 10.099 9.003 6.532 1.00 10.00 H new ATOM 0 HA LEU B 23B 9.077 11.638 5.579 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.801 9.418 6.213 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 8.195 9.810 7.875 1.00 10.00 H new ATOM 0 HG LEU B 23B 6.961 11.959 6.144 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 4.703 11.146 6.781 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 5.555 9.946 5.780 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 5.434 9.712 7.540 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 5.991 12.622 8.330 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 6.720 11.186 9.088 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 7.761 12.474 8.435 1.00 10.00 H new ATOM 1126 N ARG B 24 10.347 11.232 8.589 1.00 10.00 N ATOM 1127 CA ARG B 24 10.923 12.028 9.711 1.00 10.00 C ATOM 1128 C ARG B 24 12.225 12.698 9.266 1.00 10.00 C ATOM 1129 O ARG B 24 12.317 13.907 9.189 1.00 10.00 O ATOM 1130 CB ARG B 24 11.194 11.010 10.820 1.00 10.00 C ATOM 1131 CG ARG B 24 9.870 10.397 11.281 1.00 10.00 C ATOM 1132 CD ARG B 24 9.759 10.500 12.803 1.00 10.00 C ATOM 1133 NE ARG B 24 8.675 9.548 13.175 1.00 10.00 N ATOM 1134 CZ ARG B 24 7.497 9.651 12.622 1.00 10.00 C ATOM 1135 NH1 ARG B 24 6.626 10.501 13.094 1.00 10.00 N ATOM 1136 NH2 ARG B 24 7.188 8.906 11.596 1.00 10.00 N ATOM 0 H ARG B 24 10.371 10.220 8.716 1.00 10.00 H new ATOM 0 HA ARG B 24 10.254 12.822 10.043 1.00 10.00 H new ATOM 0 HB2 ARG B 24 11.862 10.229 10.457 1.00 10.00 H new ATOM 0 HB3 ARG B 24 11.695 11.494 11.658 1.00 10.00 H new ATOM 0 HG2 ARG B 24 9.034 10.914 10.810 1.00 10.00 H new ATOM 0 HG3 ARG B 24 9.814 9.353 10.972 1.00 10.00 H new ATOM 0 HD2 ARG B 24 10.700 10.236 13.286 1.00 10.00 H new ATOM 0 HD3 ARG B 24 9.516 11.516 13.113 1.00 10.00 H new ATOM 0 HE ARG B 24 8.853 8.815 13.862 1.00 10.00 H new ATOM 0 HH11 ARG B 24 6.866 11.085 13.895 1.00 10.00 H new ATOM 0 HH12 ARG B 24 5.706 10.581 12.662 1.00 10.00 H new ATOM 0 HH21 ARG B 24 7.867 8.242 11.225 1.00 10.00 H new ATOM 0 HH22 ARG B 24 6.267 8.988 11.165 1.00 10.00 H new ATOM 1150 N GLN B 25 13.232 11.922 8.971 1.00 10.00 N ATOM 1151 CA GLN B 25 14.524 12.517 8.527 1.00 10.00 C ATOM 1152 C GLN B 25 14.326 13.287 7.221 1.00 10.00 C ATOM 1153 O GLN B 25 15.000 14.263 6.955 1.00 10.00 O ATOM 1154 CB GLN B 25 15.456 11.325 8.313 1.00 10.00 C ATOM 1155 CG GLN B 25 16.792 11.592 9.007 1.00 10.00 C ATOM 1156 CD GLN B 25 17.635 12.533 8.145 1.00 10.00 C ATOM 1157 OE1 GLN B 25 17.743 13.708 8.435 1.00 10.00 O ATOM 1158 NE2 GLN B 25 18.242 12.063 7.090 1.00 10.00 N ATOM 0 H GLN B 25 13.216 10.903 9.018 1.00 10.00 H new ATOM 0 HA GLN B 25 14.928 13.222 9.254 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.002 10.418 8.712 1.00 10.00 H new ATOM 0 HB3 GLN B 25 15.614 11.160 7.247 1.00 10.00 H new ATOM 0 HG2 GLN B 25 16.622 12.035 9.988 1.00 10.00 H new ATOM 0 HG3 GLN B 25 17.324 10.654 9.168 1.00 10.00 H new ATOM 0 HE21 GLN B 25 18.151 11.077 6.847 1.00 10.00 H new ATOM 0 HE22 GLN B 25 18.807 12.682 6.509 1.00 10.00 H new ATOM 1167 N GLN B 26 13.404 12.854 6.405 1.00 10.00 N ATOM 1168 CA GLN B 26 13.157 13.554 5.110 1.00 10.00 C ATOM 1169 C GLN B 26 14.482 14.029 4.509 1.00 10.00 C ATOM 1170 O GLN B 26 14.759 15.211 4.469 1.00 10.00 O ATOM 1171 CB GLN B 26 12.270 14.749 5.465 1.00 10.00 C ATOM 1172 CG GLN B 26 10.861 14.522 4.917 1.00 10.00 C ATOM 1173 CD GLN B 26 10.118 15.857 4.846 1.00 10.00 C ATOM 1174 OE1 GLN B 26 10.218 16.569 3.866 1.00 10.00 O ATOM 1175 NE2 GLN B 26 9.373 16.229 5.850 1.00 10.00 N ATOM 0 H GLN B 26 12.809 12.044 6.579 1.00 10.00 H new ATOM 0 HA GLN B 26 12.686 12.904 4.372 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.234 14.879 6.547 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.691 15.664 5.047 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.913 14.070 3.926 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.319 13.826 5.557 1.00 10.00 H new ATOM 0 HE21 GLN B 26 9.289 15.631 6.672 1.00 10.00 H new ATOM 0 HE22 GLN B 26 8.874 17.118 5.813 1.00 10.00 H new ATOM 1184 N PRO B 27 15.260 13.081 4.065 1.00 10.00 N ATOM 1185 CA PRO B 27 16.578 13.392 3.461 1.00 10.00 C ATOM 1186 C PRO B 27 16.401 14.102 2.115 1.00 10.00 C ATOM 1187 O PRO B 27 15.367 13.995 1.488 1.00 10.00 O ATOM 1188 CB PRO B 27 17.220 12.018 3.275 1.00 10.00 C ATOM 1189 CG PRO B 27 16.068 11.070 3.200 1.00 10.00 C ATOM 1190 CD PRO B 27 14.989 11.642 4.079 1.00 10.00 C ATOM 0 HA PRO B 27 17.183 14.060 4.075 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.823 11.982 2.368 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.881 11.774 4.107 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.718 10.965 2.173 1.00 10.00 H new ATOM 0 HG3 PRO B 27 16.360 10.076 3.540 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.995 11.417 3.692 1.00 10.00 H new ATOM 0 HD3 PRO B 27 15.037 11.235 5.089 1.00 10.00 H new ATOM 1198 N PRO B 28 17.428 14.803 1.719 1.00 10.00 N ATOM 1199 CA PRO B 28 17.399 15.542 0.433 1.00 10.00 C ATOM 1200 C PRO B 28 17.404 14.560 -0.742 1.00 10.00 C ATOM 1201 O PRO B 28 17.004 14.889 -1.841 1.00 10.00 O ATOM 1202 CB PRO B 28 18.684 16.367 0.465 1.00 10.00 C ATOM 1203 CG PRO B 28 19.589 15.623 1.393 1.00 10.00 C ATOM 1204 CD PRO B 28 18.701 14.975 2.422 1.00 10.00 C ATOM 0 HA PRO B 28 16.509 16.159 0.309 1.00 10.00 H new ATOM 0 HB2 PRO B 28 19.122 16.456 -0.529 1.00 10.00 H new ATOM 0 HB3 PRO B 28 18.496 17.379 0.822 1.00 10.00 H new ATOM 0 HG2 PRO B 28 20.169 14.874 0.853 1.00 10.00 H new ATOM 0 HG3 PRO B 28 20.302 16.299 1.865 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.106 14.020 2.757 1.00 10.00 H new ATOM 0 HD3 PRO B 28 18.589 15.602 3.307 1.00 10.00 H new ATOM 1212 N ASP B 29 17.851 13.357 -0.513 1.00 10.00 N ATOM 1213 CA ASP B 29 17.881 12.346 -1.610 1.00 10.00 C ATOM 1214 C ASP B 29 17.574 10.957 -1.043 1.00 10.00 C ATOM 1215 O ASP B 29 18.256 10.470 -0.163 1.00 10.00 O ATOM 1216 CB ASP B 29 19.304 12.396 -2.181 1.00 10.00 C ATOM 1217 CG ASP B 29 20.243 13.089 -1.190 1.00 10.00 C ATOM 1218 OD1 ASP B 29 20.259 14.309 -1.173 1.00 10.00 O ATOM 1219 OD2 ASP B 29 20.932 12.388 -0.467 1.00 10.00 O ATOM 0 H ASP B 29 18.198 13.028 0.388 1.00 10.00 H new ATOM 0 HA ASP B 29 17.138 12.553 -2.380 1.00 10.00 H new ATOM 0 HB2 ASP B 29 19.659 11.386 -2.384 1.00 10.00 H new ATOM 0 HB3 ASP B 29 19.305 12.931 -3.130 1.00 10.00 H new ATOM 1224 N LEU B 30 16.549 10.320 -1.538 1.00 10.00 N ATOM 1225 CA LEU B 30 16.191 8.966 -1.026 1.00 10.00 C ATOM 1226 C LEU B 30 17.234 7.937 -1.459 1.00 10.00 C ATOM 1227 O LEU B 30 17.969 7.410 -0.649 1.00 10.00 O ATOM 1228 CB LEU B 30 14.840 8.651 -1.670 1.00 10.00 C ATOM 1229 CG LEU B 30 13.867 8.108 -0.621 1.00 10.00 C ATOM 1230 CD1 LEU B 30 12.853 7.194 -1.306 1.00 10.00 C ATOM 1231 CD2 LEU B 30 14.628 7.310 0.440 1.00 10.00 C ATOM 0 H LEU B 30 15.943 10.679 -2.276 1.00 10.00 H new ATOM 0 HA LEU B 30 16.150 8.936 0.063 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.428 9.551 -2.127 1.00 10.00 H new ATOM 0 HB3 LEU B 30 14.971 7.920 -2.468 1.00 10.00 H new ATOM 0 HG LEU B 30 13.355 8.942 -0.141 1.00 10.00 H new ATOM 0 HD11 LEU B 30 12.156 6.803 -0.564 1.00 10.00 H new ATOM 0 HD12 LEU B 30 12.303 7.760 -2.058 1.00 10.00 H new ATOM 0 HD13 LEU B 30 13.375 6.366 -1.785 1.00 10.00 H new ATOM 0 HD21 LEU B 30 13.926 6.928 1.181 1.00 10.00 H new ATOM 0 HD22 LEU B 30 15.145 6.475 -0.034 1.00 10.00 H new ATOM 0 HD23 LEU B 30 15.356 7.957 0.929 1.00 10.00 H new ATOM 1243 N VAL B 31 17.296 7.645 -2.733 1.00 10.00 N ATOM 1244 CA VAL B 31 18.289 6.646 -3.237 1.00 10.00 C ATOM 1245 C VAL B 31 19.462 6.519 -2.266 1.00 10.00 C ATOM 1246 O VAL B 31 19.655 5.499 -1.634 1.00 10.00 O ATOM 1247 CB VAL B 31 18.773 7.215 -4.569 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.516 6.128 -5.349 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.569 7.694 -5.382 1.00 10.00 C ATOM 0 H VAL B 31 16.699 8.057 -3.450 1.00 10.00 H new ATOM 0 HA VAL B 31 17.852 5.653 -3.341 1.00 10.00 H new ATOM 0 HB VAL B 31 19.446 8.053 -4.385 1.00 10.00 H new ATOM 0 HG11 VAL B 31 19.861 6.534 -6.300 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.372 5.785 -4.769 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.844 5.290 -5.535 1.00 10.00 H new ATOM 0 HG21 VAL B 31 17.911 8.101 -6.334 1.00 10.00 H new ATOM 0 HG22 VAL B 31 16.898 6.855 -5.566 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.039 8.468 -4.826 1.00 10.00 H new ATOM 1259 N ASP B 32 20.238 7.557 -2.138 1.00 10.00 N ATOM 1260 CA ASP B 32 21.395 7.514 -1.205 1.00 10.00 C ATOM 1261 C ASP B 32 20.916 7.082 0.186 1.00 10.00 C ATOM 1262 O ASP B 32 21.468 6.186 0.793 1.00 10.00 O ATOM 1263 CB ASP B 32 21.927 8.949 -1.200 1.00 10.00 C ATOM 1264 CG ASP B 32 21.685 9.597 0.167 1.00 10.00 C ATOM 1265 OD1 ASP B 32 22.538 9.455 1.027 1.00 10.00 O ATOM 1266 OD2 ASP B 32 20.649 10.220 0.330 1.00 10.00 O ATOM 0 H ASP B 32 20.120 8.436 -2.641 1.00 10.00 H new ATOM 0 HA ASP B 32 22.167 6.803 -1.499 1.00 10.00 H new ATOM 0 HB2 ASP B 32 22.993 8.950 -1.428 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.434 9.530 -1.979 1.00 10.00 H new ATOM 1271 N PHE B 33 19.883 7.704 0.686 1.00 10.00 N ATOM 1272 CA PHE B 33 19.361 7.319 2.027 1.00 10.00 C ATOM 1273 C PHE B 33 19.056 5.820 2.050 1.00 10.00 C ATOM 1274 O PHE B 33 19.269 5.145 3.038 1.00 10.00 O ATOM 1275 CB PHE B 33 18.076 8.130 2.206 1.00 10.00 C ATOM 1276 CG PHE B 33 17.424 7.754 3.516 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.871 8.330 4.712 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.372 6.831 3.535 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.266 7.982 5.927 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.767 6.481 4.749 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.214 7.057 5.946 1.00 10.00 C ATOM 0 H PHE B 33 19.379 8.461 0.224 1.00 10.00 H new ATOM 0 HA PHE B 33 20.076 7.518 2.825 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.301 9.196 2.192 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.393 7.937 1.379 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.682 9.043 4.698 1.00 10.00 H new ATOM 0 HD2 PHE B 33 16.026 6.388 2.613 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.611 8.427 6.849 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.956 5.768 4.763 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.748 6.788 6.882 1.00 10.00 H new ATOM 1291 N ALA B 34 18.561 5.294 0.962 1.00 10.00 N ATOM 1292 CA ALA B 34 18.244 3.838 0.910 1.00 10.00 C ATOM 1293 C ALA B 34 19.522 3.016 1.085 1.00 10.00 C ATOM 1294 O ALA B 34 19.581 2.103 1.883 1.00 10.00 O ATOM 1295 CB ALA B 34 17.654 3.612 -0.482 1.00 10.00 C ATOM 0 H ALA B 34 18.362 5.811 0.106 1.00 10.00 H new ATOM 0 HA ALA B 34 17.557 3.536 1.700 1.00 10.00 H new ATOM 0 HB1 ALA B 34 17.393 2.560 -0.600 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.759 4.223 -0.602 1.00 10.00 H new ATOM 0 HB3 ALA B 34 18.388 3.891 -1.238 1.00 10.00 H new ATOM 1301 N VAL B 35 20.545 3.336 0.342 1.00 10.00 N ATOM 1302 CA VAL B 35 21.814 2.590 0.454 1.00 10.00 C ATOM 1303 C VAL B 35 22.403 2.756 1.856 1.00 10.00 C ATOM 1304 O VAL B 35 23.201 1.958 2.301 1.00 10.00 O ATOM 1305 CB VAL B 35 22.705 3.245 -0.593 1.00 10.00 C ATOM 1306 CG1 VAL B 35 24.097 2.650 -0.508 1.00 10.00 C ATOM 1307 CG2 VAL B 35 22.124 2.992 -1.986 1.00 10.00 C ATOM 0 H VAL B 35 20.549 4.092 -0.343 1.00 10.00 H new ATOM 0 HA VAL B 35 21.700 1.517 0.297 1.00 10.00 H new ATOM 0 HB VAL B 35 22.756 4.319 -0.412 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.738 3.116 -1.256 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.509 2.829 0.485 1.00 10.00 H new ATOM 0 HG13 VAL B 35 24.046 1.577 -0.692 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.761 3.460 -2.736 1.00 10.00 H new ATOM 0 HG22 VAL B 35 22.075 1.919 -2.170 1.00 10.00 H new ATOM 0 HG23 VAL B 35 21.122 3.416 -2.045 1.00 10.00 H new ATOM 1317 N GLU B 36 22.014 3.788 2.554 1.00 10.00 N ATOM 1318 CA GLU B 36 22.552 4.006 3.928 1.00 10.00 C ATOM 1319 C GLU B 36 21.732 3.212 4.950 1.00 10.00 C ATOM 1320 O GLU B 36 22.270 2.499 5.775 1.00 10.00 O ATOM 1321 CB GLU B 36 22.404 5.507 4.177 1.00 10.00 C ATOM 1322 CG GLU B 36 23.415 6.270 3.319 1.00 10.00 C ATOM 1323 CD GLU B 36 24.246 7.194 4.211 1.00 10.00 C ATOM 1324 OE1 GLU B 36 23.839 7.421 5.338 1.00 10.00 O ATOM 1325 OE2 GLU B 36 25.274 7.661 3.750 1.00 10.00 O ATOM 0 H GLU B 36 21.347 4.490 2.233 1.00 10.00 H new ATOM 0 HA GLU B 36 23.586 3.675 4.023 1.00 10.00 H new ATOM 0 HB2 GLU B 36 21.391 5.828 3.935 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.566 5.729 5.232 1.00 10.00 H new ATOM 0 HG2 GLU B 36 24.066 5.570 2.796 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.896 6.852 2.558 1.00 10.00 H new ATOM 1332 N TYR B 37 20.434 3.331 4.903 1.00 10.00 N ATOM 1333 CA TYR B 37 19.580 2.587 5.873 1.00 10.00 C ATOM 1334 C TYR B 37 19.754 1.077 5.686 1.00 10.00 C ATOM 1335 O TYR B 37 20.047 0.357 6.620 1.00 10.00 O ATOM 1336 CB TYR B 37 18.147 3.008 5.541 1.00 10.00 C ATOM 1337 CG TYR B 37 17.176 2.063 6.210 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.007 2.101 7.600 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.446 1.150 5.439 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.107 1.226 8.219 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.546 0.274 6.059 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.376 0.312 7.449 1.00 10.00 C ATOM 1343 OH TYR B 37 14.489 -0.550 8.059 1.00 10.00 O ATOM 0 H TYR B 37 19.927 3.911 4.235 1.00 10.00 H new ATOM 0 HA TYR B 37 19.842 2.809 6.908 1.00 10.00 H new ATOM 0 HB2 TYR B 37 17.969 4.029 5.879 1.00 10.00 H new ATOM 0 HB3 TYR B 37 17.995 2.999 4.462 1.00 10.00 H new ATOM 0 HD1 TYR B 37 17.571 2.805 8.194 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.577 1.121 4.367 1.00 10.00 H new ATOM 0 HE1 TYR B 37 15.976 1.255 9.291 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.983 -0.431 5.465 1.00 10.00 H new ATOM 0 HH TYR B 37 14.064 -1.116 7.381 1.00 10.00 H new ATOM 1353 N PHE B 38 19.572 0.592 4.488 1.00 10.00 N ATOM 1354 CA PHE B 38 19.722 -0.872 4.245 1.00 10.00 C ATOM 1355 C PHE B 38 21.159 -1.319 4.536 1.00 10.00 C ATOM 1356 O PHE B 38 21.389 -2.243 5.291 1.00 10.00 O ATOM 1357 CB PHE B 38 19.386 -1.062 2.766 1.00 10.00 C ATOM 1358 CG PHE B 38 17.895 -1.231 2.610 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.226 -2.236 3.322 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.180 -0.385 1.755 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.842 -2.393 3.178 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.795 -0.542 1.611 1.00 10.00 C ATOM 1363 CZ PHE B 38 15.126 -1.546 2.323 1.00 10.00 C ATOM 0 H PHE B 38 19.326 1.145 3.667 1.00 10.00 H new ATOM 0 HA PHE B 38 19.074 -1.466 4.890 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.728 -0.202 2.190 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.906 -1.936 2.373 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.778 -2.889 3.982 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.696 0.389 1.206 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.327 -3.168 3.726 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.243 0.111 0.951 1.00 10.00 H new ATOM 0 HZ PHE B 38 14.058 -1.667 2.213 1.00 10.00 H new ATOM 1373 N THR B 39 22.129 -0.674 3.945 1.00 10.00 N ATOM 1374 CA THR B 39 23.545 -1.070 4.197 1.00 10.00 C ATOM 1375 C THR B 39 23.788 -1.215 5.700 1.00 10.00 C ATOM 1376 O THR B 39 24.226 -2.245 6.174 1.00 10.00 O ATOM 1377 CB THR B 39 24.388 0.069 3.624 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.400 -0.019 2.206 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.818 -0.036 4.157 1.00 10.00 C ATOM 0 H THR B 39 22.003 0.107 3.301 1.00 10.00 H new ATOM 0 HA THR B 39 23.794 -2.027 3.738 1.00 10.00 H new ATOM 0 HB THR B 39 23.960 1.026 3.924 1.00 10.00 H new ATOM 0 HG1 THR B 39 23.854 0.702 1.829 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.419 0.776 3.748 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.807 0.033 5.245 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.248 -0.992 3.858 1.00 10.00 H new ATOM 1387 N ARG B 40 23.503 -0.189 6.456 1.00 10.00 N ATOM 1388 CA ARG B 40 23.715 -0.268 7.930 1.00 10.00 C ATOM 1389 C ARG B 40 22.960 -1.467 8.507 1.00 10.00 C ATOM 1390 O ARG B 40 23.372 -2.060 9.485 1.00 10.00 O ATOM 1391 CB ARG B 40 23.153 1.041 8.485 1.00 10.00 C ATOM 1392 CG ARG B 40 24.239 1.762 9.286 1.00 10.00 C ATOM 1393 CD ARG B 40 24.599 3.079 8.594 1.00 10.00 C ATOM 1394 NE ARG B 40 25.642 2.716 7.594 1.00 10.00 N ATOM 1395 CZ ARG B 40 26.871 3.129 7.748 1.00 10.00 C ATOM 1396 NH1 ARG B 40 27.109 4.270 8.335 1.00 10.00 N ATOM 1397 NH2 ARG B 40 27.862 2.400 7.314 1.00 10.00 N ATOM 0 H ARG B 40 23.133 0.699 6.117 1.00 10.00 H new ATOM 0 HA ARG B 40 24.765 -0.399 8.190 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.806 1.675 7.669 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.291 0.839 9.121 1.00 10.00 H new ATOM 0 HG2 ARG B 40 23.889 1.956 10.300 1.00 10.00 H new ATOM 0 HG3 ARG B 40 25.123 1.130 9.370 1.00 10.00 H new ATOM 0 HD2 ARG B 40 23.728 3.523 8.112 1.00 10.00 H new ATOM 0 HD3 ARG B 40 24.975 3.811 9.309 1.00 10.00 H new ATOM 0 HE ARG B 40 25.395 2.143 6.787 1.00 10.00 H new ATOM 0 HH11 ARG B 40 26.334 4.840 8.674 1.00 10.00 H new ATOM 0 HH12 ARG B 40 28.070 4.591 8.455 1.00 10.00 H new ATOM 0 HH21 ARG B 40 27.676 1.508 6.855 1.00 10.00 H new ATOM 0 HH22 ARG B 40 28.822 2.722 7.434 1.00 10.00 H new ATOM 1411 N LEU B 41 21.857 -1.832 7.911 1.00 10.00 N ATOM 1412 CA LEU B 41 21.082 -2.995 8.429 1.00 10.00 C ATOM 1413 C LEU B 41 21.911 -4.275 8.297 1.00 10.00 C ATOM 1414 O LEU B 41 22.102 -5.004 9.250 1.00 10.00 O ATOM 1415 CB LEU B 41 19.834 -3.064 7.548 1.00 10.00 C ATOM 1416 CG LEU B 41 18.594 -2.771 8.394 1.00 10.00 C ATOM 1417 CD1 LEU B 41 18.827 -1.506 9.222 1.00 10.00 C ATOM 1418 CD2 LEU B 41 17.389 -2.561 7.474 1.00 10.00 C ATOM 0 H LEU B 41 21.460 -1.376 7.090 1.00 10.00 H new ATOM 0 HA LEU B 41 20.826 -2.890 9.483 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.910 -2.343 6.734 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.752 -4.051 7.093 1.00 10.00 H new ATOM 0 HG LEU B 41 18.403 -3.612 9.061 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.943 -1.298 9.825 1.00 10.00 H new ATOM 0 HD12 LEU B 41 19.686 -1.653 9.877 1.00 10.00 H new ATOM 0 HD13 LEU B 41 19.018 -0.665 8.556 1.00 10.00 H new ATOM 0 HD21 LEU B 41 16.504 -2.352 8.075 1.00 10.00 H new ATOM 0 HD22 LEU B 41 17.582 -1.720 6.808 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.221 -3.461 6.883 1.00 10.00 H new ATOM 1430 N ARG B 42 22.411 -4.552 7.123 1.00 10.00 N ATOM 1431 CA ARG B 42 23.232 -5.781 6.936 1.00 10.00 C ATOM 1432 C ARG B 42 24.563 -5.636 7.677 1.00 10.00 C ATOM 1433 O ARG B 42 25.282 -6.595 7.880 1.00 10.00 O ATOM 1434 CB ARG B 42 23.464 -5.877 5.427 1.00 10.00 C ATOM 1435 CG ARG B 42 22.679 -7.065 4.865 1.00 10.00 C ATOM 1436 CD ARG B 42 23.652 -8.168 4.448 1.00 10.00 C ATOM 1437 NE ARG B 42 22.919 -9.439 4.700 1.00 10.00 N ATOM 1438 CZ ARG B 42 23.490 -10.584 4.441 1.00 10.00 C ATOM 1439 NH1 ARG B 42 24.784 -10.647 4.284 1.00 10.00 N ATOM 1440 NH2 ARG B 42 22.766 -11.665 4.338 1.00 10.00 N ATOM 0 H ARG B 42 22.286 -3.981 6.287 1.00 10.00 H new ATOM 0 HA ARG B 42 22.743 -6.673 7.328 1.00 10.00 H new ATOM 0 HB2 ARG B 42 23.147 -4.955 4.940 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.527 -5.998 5.219 1.00 10.00 H new ATOM 0 HG2 ARG B 42 21.984 -7.443 5.615 1.00 10.00 H new ATOM 0 HG3 ARG B 42 22.083 -6.748 4.009 1.00 10.00 H new ATOM 0 HD2 ARG B 42 23.930 -8.074 3.398 1.00 10.00 H new ATOM 0 HD3 ARG B 42 24.574 -8.122 5.028 1.00 10.00 H new ATOM 0 HE ARG B 42 21.971 -9.415 5.075 1.00 10.00 H new ATOM 0 HH11 ARG B 42 25.349 -9.802 4.364 1.00 10.00 H new ATOM 0 HH12 ARG B 42 25.230 -11.542 4.082 1.00 10.00 H new ATOM 0 HH21 ARG B 42 21.755 -11.615 4.460 1.00 10.00 H new ATOM 0 HH22 ARG B 42 23.212 -12.560 4.136 1.00 10.00 H new