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 -108:sc= -9.32! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.02 K(o=-1,f=-1.7) USER MOD Single : A 26 GLN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 37 TYR OH : rot 80:sc= 0.0315 USER MOD Single : A 39 THR OG1 : rot -110:sc= -1.52 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 -108:sc= -9.37! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -0.995 K(o=-0.99,f=-1.7) USER MOD Single : B 26 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : B 37 TYR OH : rot 80:sc= 0.0312 USER MOD Single : B 39 THR OG1 : rot -110:sc= -1.57 USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 11 8.630 8.589 -3.839 1.00 10.00 N ATOM 152 CA LEU A 11 8.977 7.239 -3.313 1.00 10.00 C ATOM 153 C LEU A 11 8.080 6.179 -3.955 1.00 10.00 C ATOM 154 O LEU A 11 8.407 5.010 -3.988 1.00 10.00 O ATOM 155 CB LEU A 11 8.723 7.318 -1.810 1.00 10.00 C ATOM 156 CG LEU A 11 9.883 6.661 -1.060 1.00 10.00 C ATOM 157 CD1 LEU A 11 9.900 7.152 0.388 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.704 5.142 -1.078 1.00 10.00 C ATOM 0 HA LEU A 11 10.008 6.962 -3.535 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.620 8.359 -1.502 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.787 6.818 -1.562 1.00 10.00 H new ATOM 0 HG LEU A 11 10.823 6.925 -1.544 1.00 10.00 H new ATOM 0 HD11 LEU A 11 10.727 6.683 0.921 1.00 10.00 H new ATOM 0 HD12 LEU A 11 10.025 8.235 0.404 1.00 10.00 H new ATOM 0 HD13 LEU A 11 8.960 6.889 0.873 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.530 4.672 -0.544 1.00 10.00 H new ATOM 0 HD22 LEU A 11 8.763 4.881 -0.594 1.00 10.00 H new ATOM 0 HD23 LEU A 11 9.691 4.789 -2.109 1.00 10.00 H new ATOM 170 N THR A 12 6.951 6.581 -4.469 1.00 10.00 N ATOM 171 CA THR A 12 6.032 5.598 -5.110 1.00 10.00 C ATOM 172 C THR A 12 6.713 4.946 -6.315 1.00 10.00 C ATOM 173 O THR A 12 6.390 3.840 -6.695 1.00 10.00 O ATOM 174 CB THR A 12 4.823 6.422 -5.559 1.00 10.00 C ATOM 175 OG1 THR A 12 4.041 6.766 -4.424 1.00 10.00 O ATOM 176 CG2 THR A 12 3.974 5.605 -6.535 1.00 10.00 C ATOM 0 H THR A 12 6.625 7.547 -4.473 1.00 10.00 H new ATOM 0 HA THR A 12 5.749 4.793 -4.431 1.00 10.00 H new ATOM 0 HB THR A 12 5.168 7.329 -6.055 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.267 7.295 -4.708 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.114 6.196 -6.852 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.574 5.341 -7.406 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.628 4.696 -6.043 1.00 10.00 H new ATOM 184 N GLU A 13 7.651 5.623 -6.919 1.00 10.00 N ATOM 185 CA GLU A 13 8.346 5.042 -8.100 1.00 10.00 C ATOM 186 C GLU A 13 9.497 4.136 -7.653 1.00 10.00 C ATOM 187 O GLU A 13 9.578 2.985 -8.034 1.00 10.00 O ATOM 188 CB GLU A 13 8.882 6.245 -8.878 1.00 10.00 C ATOM 189 CG GLU A 13 7.806 6.754 -9.839 1.00 10.00 C ATOM 190 CD GLU A 13 8.105 6.251 -11.252 1.00 10.00 C ATOM 191 OE1 GLU A 13 9.216 6.459 -11.712 1.00 10.00 O ATOM 192 OE2 GLU A 13 7.217 5.667 -11.852 1.00 10.00 O ATOM 0 H GLU A 13 7.966 6.554 -6.645 1.00 10.00 H new ATOM 0 HA GLU A 13 7.679 4.428 -8.705 1.00 10.00 H new ATOM 0 HB2 GLU A 13 9.172 7.037 -8.188 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.776 5.963 -9.434 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.824 6.407 -9.518 1.00 10.00 H new ATOM 0 HG3 GLU A 13 7.779 7.844 -9.827 1.00 10.00 H new ATOM 199 N LEU A 14 10.392 4.649 -6.853 1.00 10.00 N ATOM 200 CA LEU A 14 11.540 3.818 -6.389 1.00 10.00 C ATOM 201 C LEU A 14 11.037 2.604 -5.601 1.00 10.00 C ATOM 202 O LEU A 14 11.452 1.485 -5.837 1.00 10.00 O ATOM 203 CB LEU A 14 12.361 4.741 -5.488 1.00 10.00 C ATOM 204 CG LEU A 14 13.087 5.777 -6.347 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.709 6.846 -5.446 1.00 10.00 C ATOM 206 CD2 LEU A 14 14.191 5.086 -7.152 1.00 10.00 C ATOM 0 H LEU A 14 10.378 5.606 -6.501 1.00 10.00 H new ATOM 0 HA LEU A 14 12.129 3.431 -7.221 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.710 5.240 -4.770 1.00 10.00 H new ATOM 0 HB3 LEU A 14 13.082 4.159 -4.914 1.00 10.00 H new ATOM 0 HG LEU A 14 12.376 6.246 -7.028 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.226 7.583 -6.060 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.925 7.338 -4.871 1.00 10.00 H new ATOM 0 HD13 LEU A 14 14.420 6.379 -4.764 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.710 5.823 -7.765 1.00 10.00 H new ATOM 0 HD22 LEU A 14 14.900 4.618 -6.469 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.750 4.325 -7.795 1.00 10.00 H new ATOM 218 N LEU A 15 10.150 2.811 -4.668 1.00 10.00 N ATOM 219 CA LEU A 15 9.630 1.661 -3.872 1.00 10.00 C ATOM 220 C LEU A 15 8.923 0.660 -4.786 1.00 10.00 C ATOM 221 O LEU A 15 9.267 -0.505 -4.821 1.00 10.00 O ATOM 222 CB LEU A 15 8.644 2.273 -2.877 1.00 10.00 C ATOM 223 CG LEU A 15 8.882 1.673 -1.490 1.00 10.00 C ATOM 224 CD1 LEU A 15 10.297 2.015 -1.019 1.00 10.00 C ATOM 225 CD2 LEU A 15 7.865 2.253 -0.504 1.00 10.00 C ATOM 0 H LEU A 15 9.763 3.722 -4.422 1.00 10.00 H new ATOM 0 HA LEU A 15 10.428 1.118 -3.367 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.769 3.355 -2.843 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.620 2.080 -3.198 1.00 10.00 H new ATOM 0 HG LEU A 15 8.768 0.590 -1.539 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.465 1.587 -0.031 1.00 10.00 H new ATOM 0 HD12 LEU A 15 11.023 1.604 -1.721 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.412 3.098 -0.970 1.00 10.00 H new ATOM 0 HD21 LEU A 15 8.033 1.827 0.485 1.00 10.00 H new ATOM 0 HD22 LEU A 15 7.981 3.336 -0.457 1.00 10.00 H new ATOM 0 HD23 LEU A 15 6.856 2.010 -0.837 1.00 10.00 H new ATOM 237 N GLN A 16 7.943 1.096 -5.534 1.00 10.00 N ATOM 238 CA GLN A 16 7.235 0.151 -6.443 1.00 10.00 C ATOM 239 C GLN A 16 8.255 -0.768 -7.111 1.00 10.00 C ATOM 240 O GLN A 16 8.055 -1.961 -7.224 1.00 10.00 O ATOM 241 CB GLN A 16 6.546 1.027 -7.486 1.00 10.00 C ATOM 242 CG GLN A 16 5.032 0.837 -7.392 1.00 10.00 C ATOM 243 CD GLN A 16 4.365 1.437 -8.630 1.00 10.00 C ATOM 244 OE1 GLN A 16 3.766 2.493 -8.561 1.00 10.00 O ATOM 245 NE2 GLN A 16 4.445 0.805 -9.768 1.00 10.00 N ATOM 0 H GLN A 16 7.605 2.058 -5.554 1.00 10.00 H new ATOM 0 HA GLN A 16 6.518 -0.477 -5.914 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.803 2.074 -7.324 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.895 0.764 -8.485 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.792 -0.223 -7.314 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.650 1.317 -6.491 1.00 10.00 H new ATOM 0 HE21 GLN A 16 4.948 -0.081 -9.825 1.00 10.00 H new ATOM 0 HE22 GLN A 16 4.005 1.196 -10.601 1.00 10.00 H new ATOM 254 N GLY A 17 9.357 -0.219 -7.542 1.00 10.00 N ATOM 255 CA GLY A 17 10.396 -1.062 -8.187 1.00 10.00 C ATOM 256 C GLY A 17 10.720 -2.234 -7.265 1.00 10.00 C ATOM 257 O GLY A 17 10.453 -3.375 -7.584 1.00 10.00 O ATOM 0 H GLY A 17 9.580 0.774 -7.475 1.00 10.00 H new ATOM 0 HA2 GLY A 17 10.041 -1.427 -9.151 1.00 10.00 H new ATOM 0 HA3 GLY A 17 11.293 -0.474 -8.379 1.00 10.00 H new ATOM 261 N TYR A 18 11.283 -1.961 -6.117 1.00 10.00 N ATOM 262 CA TYR A 18 11.613 -3.063 -5.168 1.00 10.00 C ATOM 263 C TYR A 18 10.506 -4.121 -5.188 1.00 10.00 C ATOM 264 O TYR A 18 10.742 -5.275 -5.486 1.00 10.00 O ATOM 265 CB TYR A 18 11.696 -2.397 -3.796 1.00 10.00 C ATOM 266 CG TYR A 18 12.801 -3.044 -2.997 1.00 10.00 C ATOM 267 CD1 TYR A 18 14.067 -3.213 -3.571 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.561 -3.481 -1.689 1.00 10.00 C ATOM 269 CE1 TYR A 18 15.094 -3.820 -2.836 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.587 -4.089 -0.954 1.00 10.00 C ATOM 271 CZ TYR A 18 14.853 -4.259 -1.528 1.00 10.00 C ATOM 272 OH TYR A 18 15.865 -4.859 -0.804 1.00 10.00 O ATOM 0 H TYR A 18 11.528 -1.024 -5.797 1.00 10.00 H new ATOM 0 HA TYR A 18 12.543 -3.569 -5.428 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.888 -1.330 -3.907 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.745 -2.497 -3.272 1.00 10.00 H new ATOM 0 HD1 TYR A 18 14.252 -2.876 -4.580 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.585 -3.349 -1.246 1.00 10.00 H new ATOM 0 HE1 TYR A 18 16.071 -3.949 -3.278 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.402 -4.427 0.055 1.00 10.00 H new ATOM 0 HH TYR A 18 15.682 -5.818 -0.719 1.00 10.00 H new ATOM 282 N THR A 19 9.300 -3.733 -4.879 1.00 10.00 N ATOM 283 CA THR A 19 8.177 -4.714 -4.887 1.00 10.00 C ATOM 284 C THR A 19 8.158 -5.474 -6.215 1.00 10.00 C ATOM 285 O THR A 19 7.822 -6.641 -6.269 1.00 10.00 O ATOM 286 CB THR A 19 6.913 -3.865 -4.731 1.00 10.00 C ATOM 287 OG1 THR A 19 6.722 -3.553 -3.358 1.00 10.00 O ATOM 288 CG2 THR A 19 5.701 -4.638 -5.253 1.00 10.00 C ATOM 0 H THR A 19 9.043 -2.780 -4.621 1.00 10.00 H new ATOM 0 HA THR A 19 8.266 -5.459 -4.096 1.00 10.00 H new ATOM 0 HB THR A 19 7.024 -2.944 -5.304 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.914 -3.008 -3.256 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.804 -4.029 -5.139 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.847 -4.876 -6.307 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.586 -5.562 -4.685 1.00 10.00 H new ATOM 296 N VAL A 20 8.514 -4.821 -7.287 1.00 10.00 N ATOM 297 CA VAL A 20 8.513 -5.508 -8.610 1.00 10.00 C ATOM 298 C VAL A 20 9.806 -6.307 -8.800 1.00 10.00 C ATOM 299 O VAL A 20 9.845 -7.271 -9.538 1.00 10.00 O ATOM 300 CB VAL A 20 8.421 -4.384 -9.641 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.764 -4.934 -11.027 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.000 -3.818 -9.655 1.00 10.00 C ATOM 0 H VAL A 20 8.805 -3.844 -7.305 1.00 10.00 H new ATOM 0 HA VAL A 20 7.690 -6.216 -8.703 1.00 10.00 H new ATOM 0 HB VAL A 20 9.124 -3.593 -9.379 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.699 -4.133 -11.763 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.777 -5.337 -11.018 1.00 10.00 H new ATOM 0 HG13 VAL A 20 8.061 -5.725 -11.289 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.935 -3.016 -10.391 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.296 -4.608 -9.916 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.755 -3.426 -8.668 1.00 10.00 H new ATOM 312 N GLU A 21 10.863 -5.922 -8.137 1.00 10.00 N ATOM 313 CA GLU A 21 12.146 -6.676 -8.289 1.00 10.00 C ATOM 314 C GLU A 21 12.177 -7.832 -7.294 1.00 10.00 C ATOM 315 O GLU A 21 12.475 -8.958 -7.636 1.00 10.00 O ATOM 316 CB GLU A 21 13.273 -5.688 -7.970 1.00 10.00 C ATOM 317 CG GLU A 21 12.773 -4.258 -8.122 1.00 10.00 C ATOM 318 CD GLU A 21 13.927 -3.351 -8.550 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.904 -3.871 -9.062 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.814 -2.150 -8.360 1.00 10.00 O ATOM 0 H GLU A 21 10.897 -5.125 -7.501 1.00 10.00 H new ATOM 0 HA GLU A 21 12.252 -7.085 -9.294 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.632 -5.850 -6.954 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.117 -5.859 -8.638 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.973 -4.219 -8.862 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.353 -3.907 -7.179 1.00 10.00 H new ATOM 327 N VAL A 22 11.870 -7.554 -6.059 1.00 10.00 N ATOM 328 CA VAL A 22 11.881 -8.627 -5.028 1.00 10.00 C ATOM 329 C VAL A 22 10.889 -9.729 -5.406 1.00 10.00 C ATOM 330 O VAL A 22 11.137 -10.899 -5.190 1.00 10.00 O ATOM 331 CB VAL A 22 11.460 -7.937 -3.729 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.848 -8.817 -2.544 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.176 -6.590 -3.603 1.00 10.00 C ATOM 0 H VAL A 22 11.611 -6.628 -5.718 1.00 10.00 H new ATOM 0 HA VAL A 22 12.858 -9.101 -4.933 1.00 10.00 H new ATOM 0 HB VAL A 22 10.382 -7.777 -3.740 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.550 -8.329 -1.616 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.344 -9.780 -2.626 1.00 10.00 H new ATOM 0 HG13 VAL A 22 12.927 -8.971 -2.543 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.873 -6.102 -2.676 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.254 -6.751 -3.593 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.911 -5.957 -4.450 1.00 10.00 H new ATOM 343 N LEU A 23A 9.769 -9.370 -5.976 1.00 10.00 N ATOM 344 CA LEU A 23A 8.774 -10.407 -6.372 1.00 10.00 C ATOM 345 C LEU A 23A 9.257 -11.137 -7.627 1.00 10.00 C ATOM 346 O LEU A 23A 9.050 -12.324 -7.788 1.00 10.00 O ATOM 347 CB LEU A 23A 7.484 -9.638 -6.661 1.00 10.00 C ATOM 348 CG LEU A 23A 6.523 -9.790 -5.480 1.00 10.00 C ATOM 349 CD1 LEU A 23A 7.006 -8.930 -4.311 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.123 -9.334 -5.901 1.00 10.00 C ATOM 0 H LEU A 23A 9.502 -8.408 -6.183 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.628 -11.159 -5.597 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.706 -8.584 -6.829 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.020 -10.015 -7.572 1.00 10.00 H new ATOM 0 HG LEU A 23A 6.491 -10.835 -5.172 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 6.320 -9.040 -3.471 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 8.003 -9.252 -4.010 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 7.040 -7.885 -4.618 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 4.437 -9.442 -5.061 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 5.158 -8.289 -6.209 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 4.776 -9.946 -6.733 1.00 10.00 H new ATOM 362 N ARG A 24 9.906 -10.435 -8.517 1.00 10.00 N ATOM 363 CA ARG A 24 10.409 -11.088 -9.759 1.00 10.00 C ATOM 364 C ARG A 24 11.550 -12.050 -9.418 1.00 10.00 C ATOM 365 O ARG A 24 12.001 -12.815 -10.249 1.00 10.00 O ATOM 366 CB ARG A 24 10.917 -9.940 -10.632 1.00 10.00 C ATOM 367 CG ARG A 24 10.882 -10.360 -12.102 1.00 10.00 C ATOM 368 CD ARG A 24 9.760 -9.608 -12.821 1.00 10.00 C ATOM 369 NE ARG A 24 9.315 -10.524 -13.906 1.00 10.00 N ATOM 370 CZ ARG A 24 9.530 -10.209 -15.154 1.00 10.00 C ATOM 371 NH1 ARG A 24 9.484 -8.960 -15.528 1.00 10.00 N ATOM 372 NH2 ARG A 24 9.793 -11.143 -16.025 1.00 10.00 N ATOM 0 H ARG A 24 10.109 -9.439 -8.437 1.00 10.00 H new ATOM 0 HA ARG A 24 9.639 -11.671 -10.264 1.00 10.00 H new ATOM 0 HB2 ARG A 24 10.300 -9.054 -10.481 1.00 10.00 H new ATOM 0 HB3 ARG A 24 11.934 -9.673 -10.344 1.00 10.00 H new ATOM 0 HG2 ARG A 24 11.840 -10.145 -12.576 1.00 10.00 H new ATOM 0 HG3 ARG A 24 10.722 -11.435 -12.180 1.00 10.00 H new ATOM 0 HD2 ARG A 24 8.941 -9.376 -12.140 1.00 10.00 H new ATOM 0 HD3 ARG A 24 10.116 -8.661 -13.226 1.00 10.00 H new ATOM 0 HE ARG A 24 8.842 -11.398 -13.674 1.00 10.00 H new ATOM 0 HH11 ARG A 24 9.280 -8.230 -14.845 1.00 10.00 H new ATOM 0 HH12 ARG A 24 9.652 -8.713 -16.503 1.00 10.00 H new ATOM 0 HH21 ARG A 24 9.831 -12.119 -15.731 1.00 10.00 H new ATOM 0 HH22 ARG A 24 9.961 -10.898 -17.001 1.00 10.00 H new ATOM 386 N GLN A 25 12.017 -12.017 -8.201 1.00 10.00 N ATOM 387 CA GLN A 25 13.126 -12.928 -7.798 1.00 10.00 C ATOM 388 C GLN A 25 13.158 -13.068 -6.274 1.00 10.00 C ATOM 389 O GLN A 25 14.210 -13.133 -5.674 1.00 10.00 O ATOM 390 CB GLN A 25 14.403 -12.253 -8.303 1.00 10.00 C ATOM 391 CG GLN A 25 14.674 -10.988 -7.486 1.00 10.00 C ATOM 392 CD GLN A 25 16.161 -10.637 -7.560 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.705 -10.058 -6.641 1.00 10.00 O ATOM 394 NE2 GLN A 25 16.845 -10.962 -8.622 1.00 10.00 N ATOM 0 H GLN A 25 11.678 -11.397 -7.466 1.00 10.00 H new ATOM 0 HA GLN A 25 13.010 -13.930 -8.210 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.246 -12.939 -8.220 1.00 10.00 H new ATOM 0 HB3 GLN A 25 14.300 -12.001 -9.358 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.076 -10.161 -7.868 1.00 10.00 H new ATOM 0 HG3 GLN A 25 14.378 -11.143 -6.448 1.00 10.00 H new ATOM 0 HE21 GLN A 25 16.388 -11.448 -9.394 1.00 10.00 H new ATOM 0 HE22 GLN A 25 17.837 -10.730 -8.681 1.00 10.00 H new ATOM 403 N GLN A 26 12.006 -13.112 -5.653 1.00 10.00 N ATOM 404 CA GLN A 26 11.936 -13.244 -4.163 1.00 10.00 C ATOM 405 C GLN A 26 13.279 -13.702 -3.586 1.00 10.00 C ATOM 406 O GLN A 26 13.507 -14.881 -3.398 1.00 10.00 O ATOM 407 CB GLN A 26 10.861 -14.303 -3.916 1.00 10.00 C ATOM 408 CG GLN A 26 9.548 -13.617 -3.533 1.00 10.00 C ATOM 409 CD GLN A 26 8.398 -14.619 -3.635 1.00 10.00 C ATOM 410 OE1 GLN A 26 7.790 -14.970 -2.641 1.00 10.00 O ATOM 411 NE2 GLN A 26 8.066 -15.095 -4.804 1.00 10.00 N ATOM 0 H GLN A 26 11.100 -13.062 -6.119 1.00 10.00 H new ATOM 0 HA GLN A 26 11.704 -12.294 -3.682 1.00 10.00 H new ATOM 0 HB2 GLN A 26 10.720 -14.909 -4.811 1.00 10.00 H new ATOM 0 HB3 GLN A 26 11.176 -14.978 -3.121 1.00 10.00 H new ATOM 0 HG2 GLN A 26 9.613 -13.225 -2.518 1.00 10.00 H new ATOM 0 HG3 GLN A 26 9.364 -12.768 -4.191 1.00 10.00 H new ATOM 0 HE21 GLN A 26 8.575 -14.801 -5.638 1.00 10.00 H new ATOM 0 HE22 GLN A 26 7.297 -15.761 -4.884 1.00 10.00 H new ATOM 420 N PRO A 27 14.125 -12.743 -3.327 1.00 10.00 N ATOM 421 CA PRO A 27 15.466 -13.035 -2.767 1.00 10.00 C ATOM 422 C PRO A 27 15.351 -13.528 -1.322 1.00 10.00 C ATOM 423 O PRO A 27 14.336 -13.344 -0.681 1.00 10.00 O ATOM 424 CB PRO A 27 16.183 -11.688 -2.831 1.00 10.00 C ATOM 425 CG PRO A 27 15.087 -10.675 -2.826 1.00 10.00 C ATOM 426 CD PRO A 27 13.917 -11.308 -3.529 1.00 10.00 C ATOM 0 HA PRO A 27 15.994 -13.819 -3.310 1.00 10.00 H new ATOM 0 HB2 PRO A 27 16.850 -11.554 -1.980 1.00 10.00 H new ATOM 0 HB3 PRO A 27 16.793 -11.607 -3.730 1.00 10.00 H new ATOM 0 HG2 PRO A 27 14.822 -10.395 -1.806 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.399 -9.763 -3.336 1.00 10.00 H new ATOM 0 HD2 PRO A 27 12.969 -10.977 -3.105 1.00 10.00 H new ATOM 0 HD3 PRO A 27 13.900 -11.051 -4.588 1.00 10.00 H new ATOM 434 N PRO A 28 16.405 -14.142 -0.861 1.00 10.00 N ATOM 435 CA PRO A 28 16.436 -14.672 0.523 1.00 10.00 C ATOM 436 C PRO A 28 16.465 -13.529 1.540 1.00 10.00 C ATOM 437 O PRO A 28 15.819 -13.582 2.568 1.00 10.00 O ATOM 438 CB PRO A 28 17.732 -15.479 0.568 1.00 10.00 C ATOM 439 CG PRO A 28 18.590 -14.879 -0.497 1.00 10.00 C ATOM 440 CD PRO A 28 17.658 -14.395 -1.575 1.00 10.00 C ATOM 0 HA PRO A 28 15.559 -15.269 0.771 1.00 10.00 H new ATOM 0 HB2 PRO A 28 18.208 -15.409 1.546 1.00 10.00 H new ATOM 0 HB3 PRO A 28 17.547 -16.536 0.378 1.00 10.00 H new ATOM 0 HG2 PRO A 28 19.183 -14.056 -0.099 1.00 10.00 H new ATOM 0 HG3 PRO A 28 19.290 -15.615 -0.892 1.00 10.00 H new ATOM 0 HD2 PRO A 28 18.035 -13.492 -2.055 1.00 10.00 H new ATOM 0 HD3 PRO A 28 17.529 -15.142 -2.358 1.00 10.00 H new ATOM 448 N ASP A 29 17.211 -12.493 1.263 1.00 10.00 N ATOM 449 CA ASP A 29 17.282 -11.350 2.217 1.00 10.00 C ATOM 450 C ASP A 29 17.204 -10.021 1.461 1.00 10.00 C ATOM 451 O ASP A 29 17.897 -9.808 0.486 1.00 10.00 O ATOM 452 CB ASP A 29 18.640 -11.495 2.907 1.00 10.00 C ATOM 453 CG ASP A 29 18.591 -12.666 3.889 1.00 10.00 C ATOM 454 OD1 ASP A 29 17.540 -12.885 4.468 1.00 10.00 O ATOM 455 OD2 ASP A 29 19.607 -13.324 4.045 1.00 10.00 O ATOM 0 H ASP A 29 17.773 -12.389 0.418 1.00 10.00 H new ATOM 0 HA ASP A 29 16.458 -11.357 2.930 1.00 10.00 H new ATOM 0 HB2 ASP A 29 19.421 -11.661 2.165 1.00 10.00 H new ATOM 0 HB3 ASP A 29 18.892 -10.575 3.434 1.00 10.00 H new ATOM 460 N LEU A 30 16.367 -9.124 1.904 1.00 10.00 N ATOM 461 CA LEU A 30 16.246 -7.809 1.211 1.00 10.00 C ATOM 462 C LEU A 30 17.410 -6.897 1.603 1.00 10.00 C ATOM 463 O LEU A 30 18.068 -6.323 0.761 1.00 10.00 O ATOM 464 CB LEU A 30 14.923 -7.224 1.701 1.00 10.00 C ATOM 465 CG LEU A 30 13.808 -8.251 1.510 1.00 10.00 C ATOM 466 CD1 LEU A 30 13.168 -8.569 2.862 1.00 10.00 C ATOM 467 CD2 LEU A 30 12.748 -7.679 0.567 1.00 10.00 C ATOM 0 H LEU A 30 15.761 -9.244 2.716 1.00 10.00 H new ATOM 0 HA LEU A 30 16.271 -7.910 0.126 1.00 10.00 H new ATOM 0 HB2 LEU A 30 15.002 -6.949 2.753 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.690 -6.313 1.150 1.00 10.00 H new ATOM 0 HG LEU A 30 14.224 -9.164 1.083 1.00 10.00 H new ATOM 0 HD11 LEU A 30 12.373 -9.302 2.725 1.00 10.00 H new ATOM 0 HD12 LEU A 30 13.923 -8.975 3.535 1.00 10.00 H new ATOM 0 HD13 LEU A 30 12.752 -7.658 3.291 1.00 10.00 H new ATOM 0 HD21 LEU A 30 11.951 -8.410 0.429 1.00 10.00 H new ATOM 0 HD22 LEU A 30 12.333 -6.767 0.996 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.203 -7.452 -0.397 1.00 10.00 H new ATOM 479 N VAL A 31 17.662 -6.760 2.879 1.00 10.00 N ATOM 480 CA VAL A 31 18.783 -5.884 3.343 1.00 10.00 C ATOM 481 C VAL A 31 19.875 -5.800 2.275 1.00 10.00 C ATOM 482 O VAL A 31 20.171 -4.745 1.751 1.00 10.00 O ATOM 483 CB VAL A 31 19.330 -6.570 4.594 1.00 10.00 C ATOM 484 CG1 VAL A 31 20.239 -5.600 5.352 1.00 10.00 C ATOM 485 CG2 VAL A 31 18.170 -6.986 5.499 1.00 10.00 C ATOM 0 H VAL A 31 17.138 -7.219 3.624 1.00 10.00 H new ATOM 0 HA VAL A 31 18.448 -4.866 3.540 1.00 10.00 H new ATOM 0 HB VAL A 31 19.899 -7.453 4.302 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.629 -6.089 6.244 1.00 10.00 H new ATOM 0 HG12 VAL A 31 21.068 -5.301 4.710 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.668 -4.718 5.642 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.562 -7.475 6.391 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.601 -6.103 5.790 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.520 -7.677 4.962 1.00 10.00 H new ATOM 495 N ASP A 32 20.474 -6.911 1.953 1.00 10.00 N ATOM 496 CA ASP A 32 21.548 -6.913 0.923 1.00 10.00 C ATOM 497 C ASP A 32 20.976 -6.482 -0.432 1.00 10.00 C ATOM 498 O ASP A 32 21.489 -5.589 -1.076 1.00 10.00 O ATOM 499 CB ASP A 32 22.040 -8.364 0.894 1.00 10.00 C ATOM 500 CG ASP A 32 21.753 -8.995 -0.472 1.00 10.00 C ATOM 501 OD1 ASP A 32 22.377 -8.583 -1.436 1.00 10.00 O ATOM 502 OD2 ASP A 32 20.913 -9.878 -0.530 1.00 10.00 O ATOM 0 H ASP A 32 20.265 -7.822 2.361 1.00 10.00 H new ATOM 0 HA ASP A 32 22.358 -6.218 1.144 1.00 10.00 H new ATOM 0 HB2 ASP A 32 23.110 -8.397 1.100 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.547 -8.938 1.678 1.00 10.00 H new ATOM 507 N PHE A 33 19.914 -7.104 -0.867 1.00 10.00 N ATOM 508 CA PHE A 33 19.311 -6.719 -2.175 1.00 10.00 C ATOM 509 C PHE A 33 18.983 -5.223 -2.172 1.00 10.00 C ATOM 510 O PHE A 33 19.344 -4.494 -3.074 1.00 10.00 O ATOM 511 CB PHE A 33 18.034 -7.552 -2.288 1.00 10.00 C ATOM 512 CG PHE A 33 17.312 -7.194 -3.565 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.841 -7.587 -4.802 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.116 -6.470 -3.513 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.171 -7.255 -5.986 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.446 -6.139 -4.698 1.00 10.00 C ATOM 517 CZ PHE A 33 15.974 -6.532 -5.935 1.00 10.00 C ATOM 0 H PHE A 33 19.439 -7.860 -0.375 1.00 10.00 H new ATOM 0 HA PHE A 33 19.983 -6.900 -3.014 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.278 -8.614 -2.281 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.389 -7.367 -1.429 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.765 -8.145 -4.842 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.709 -6.166 -2.560 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.578 -7.557 -6.939 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.522 -5.581 -4.658 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.457 -6.277 -6.849 1.00 10.00 H new ATOM 527 N ALA A 34 18.305 -4.761 -1.157 1.00 10.00 N ATOM 528 CA ALA A 34 17.961 -3.313 -1.088 1.00 10.00 C ATOM 529 C ALA A 34 19.231 -2.474 -1.234 1.00 10.00 C ATOM 530 O ALA A 34 19.203 -1.359 -1.716 1.00 10.00 O ATOM 531 CB ALA A 34 17.351 -3.116 0.301 1.00 10.00 C ATOM 0 H ALA A 34 17.975 -5.324 -0.373 1.00 10.00 H new ATOM 0 HA ALA A 34 17.276 -3.009 -1.880 1.00 10.00 H new ATOM 0 HB1 ALA A 34 17.070 -2.071 0.430 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.466 -3.745 0.402 1.00 10.00 H new ATOM 0 HB3 ALA A 34 18.081 -3.392 1.062 1.00 10.00 H new ATOM 537 N VAL A 35 20.347 -3.008 -0.821 1.00 10.00 N ATOM 538 CA VAL A 35 21.619 -2.261 -0.928 1.00 10.00 C ATOM 539 C VAL A 35 22.199 -2.421 -2.336 1.00 10.00 C ATOM 540 O VAL A 35 22.446 -1.457 -3.030 1.00 10.00 O ATOM 541 CB VAL A 35 22.512 -2.928 0.115 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.974 -2.656 -0.209 1.00 10.00 C ATOM 543 CG2 VAL A 35 22.182 -2.364 1.495 1.00 10.00 C ATOM 0 H VAL A 35 20.427 -3.939 -0.411 1.00 10.00 H new ATOM 0 HA VAL A 35 21.513 -1.189 -0.760 1.00 10.00 H new ATOM 0 HB VAL A 35 22.338 -4.004 0.107 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.607 -3.134 0.538 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.209 -3.058 -1.195 1.00 10.00 H new ATOM 0 HG13 VAL A 35 24.154 -1.581 -0.203 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.818 -2.838 2.243 1.00 10.00 H new ATOM 0 HG22 VAL A 35 22.356 -1.288 1.500 1.00 10.00 H new ATOM 0 HG23 VAL A 35 21.136 -2.563 1.729 1.00 10.00 H new ATOM 553 N GLU A 36 22.413 -3.635 -2.759 1.00 10.00 N ATOM 554 CA GLU A 36 22.975 -3.871 -4.120 1.00 10.00 C ATOM 555 C GLU A 36 22.149 -3.125 -5.176 1.00 10.00 C ATOM 556 O GLU A 36 22.682 -2.593 -6.130 1.00 10.00 O ATOM 557 CB GLU A 36 22.896 -5.395 -4.303 1.00 10.00 C ATOM 558 CG GLU A 36 22.190 -5.758 -5.616 1.00 10.00 C ATOM 559 CD GLU A 36 23.225 -5.893 -6.734 1.00 10.00 C ATOM 560 OE1 GLU A 36 24.394 -5.670 -6.462 1.00 10.00 O ATOM 561 OE2 GLU A 36 22.834 -6.220 -7.842 1.00 10.00 O ATOM 0 H GLU A 36 22.222 -4.479 -2.219 1.00 10.00 H new ATOM 0 HA GLU A 36 23.996 -3.505 -4.231 1.00 10.00 H new ATOM 0 HB2 GLU A 36 23.901 -5.818 -4.298 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.360 -5.838 -3.464 1.00 10.00 H new ATOM 0 HG2 GLU A 36 21.642 -6.693 -5.499 1.00 10.00 H new ATOM 0 HG3 GLU A 36 21.460 -4.990 -5.873 1.00 10.00 H new ATOM 568 N TYR A 37 20.855 -3.085 -5.016 1.00 10.00 N ATOM 569 CA TYR A 37 20.002 -2.380 -6.017 1.00 10.00 C ATOM 570 C TYR A 37 20.158 -0.863 -5.885 1.00 10.00 C ATOM 571 O TYR A 37 20.482 -0.178 -6.837 1.00 10.00 O ATOM 572 CB TYR A 37 18.570 -2.801 -5.684 1.00 10.00 C ATOM 573 CG TYR A 37 17.600 -1.892 -6.399 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.540 -1.896 -7.799 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.760 -1.046 -5.665 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.642 -1.052 -8.463 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.861 -0.202 -6.329 1.00 10.00 C ATOM 578 CZ TYR A 37 15.801 -0.205 -7.729 1.00 10.00 C ATOM 579 OH TYR A 37 14.916 0.626 -8.383 1.00 10.00 O ATOM 0 H TYR A 37 20.351 -3.509 -4.237 1.00 10.00 H new ATOM 0 HA TYR A 37 20.278 -2.635 -7.040 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.404 -3.836 -5.984 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.406 -2.751 -4.608 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.186 -2.550 -8.366 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.805 -1.044 -4.586 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.597 -1.054 -9.542 1.00 10.00 H new ATOM 0 HE2 TYR A 37 15.214 0.451 -5.762 1.00 10.00 H new ATOM 0 HH TYR A 37 14.126 0.114 -8.655 1.00 10.00 H new ATOM 589 N PHE A 38 19.922 -0.329 -4.719 1.00 10.00 N ATOM 590 CA PHE A 38 20.049 1.145 -4.534 1.00 10.00 C ATOM 591 C PHE A 38 21.512 1.582 -4.670 1.00 10.00 C ATOM 592 O PHE A 38 21.842 2.425 -5.480 1.00 10.00 O ATOM 593 CB PHE A 38 19.527 1.412 -3.122 1.00 10.00 C ATOM 594 CG PHE A 38 18.017 1.425 -3.142 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.337 2.148 -4.129 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.297 0.712 -2.175 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.937 2.159 -4.150 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.897 0.723 -2.196 1.00 10.00 C ATOM 599 CZ PHE A 38 15.217 1.446 -3.183 1.00 10.00 C ATOM 0 H PHE A 38 19.647 -0.849 -3.886 1.00 10.00 H new ATOM 0 HA PHE A 38 19.491 1.704 -5.285 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.886 0.643 -2.438 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.905 2.367 -2.756 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.892 2.698 -4.875 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.821 0.154 -1.413 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.413 2.717 -4.912 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.342 0.173 -1.450 1.00 10.00 H new ATOM 0 HZ PHE A 38 14.137 1.454 -3.199 1.00 10.00 H new ATOM 609 N THR A 39 22.395 1.017 -3.890 1.00 10.00 N ATOM 610 CA THR A 39 23.832 1.412 -3.989 1.00 10.00 C ATOM 611 C THR A 39 24.252 1.485 -5.459 1.00 10.00 C ATOM 612 O THR A 39 24.967 2.378 -5.867 1.00 10.00 O ATOM 613 CB THR A 39 24.606 0.313 -3.258 1.00 10.00 C ATOM 614 OG1 THR A 39 24.443 0.468 -1.856 1.00 10.00 O ATOM 615 CG2 THR A 39 26.090 0.411 -3.611 1.00 10.00 C ATOM 0 H THR A 39 22.186 0.303 -3.192 1.00 10.00 H new ATOM 0 HA THR A 39 24.023 2.392 -3.552 1.00 10.00 H new ATOM 0 HB THR A 39 24.223 -0.661 -3.563 1.00 10.00 H new ATOM 0 HG1 THR A 39 25.290 0.760 -1.458 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.640 -0.372 -3.090 1.00 10.00 H new ATOM 0 HG22 THR A 39 26.217 0.289 -4.687 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.472 1.386 -3.309 1.00 10.00 H new ATOM 623 N ARG A 40 23.809 0.553 -6.258 1.00 10.00 N ATOM 624 CA ARG A 40 24.180 0.577 -7.700 1.00 10.00 C ATOM 625 C ARG A 40 23.440 1.713 -8.412 1.00 10.00 C ATOM 626 O ARG A 40 23.972 2.359 -9.290 1.00 10.00 O ATOM 627 CB ARG A 40 23.739 -0.784 -8.246 1.00 10.00 C ATOM 628 CG ARG A 40 23.636 -0.718 -9.773 1.00 10.00 C ATOM 629 CD ARG A 40 24.621 -1.709 -10.395 1.00 10.00 C ATOM 630 NE ARG A 40 24.525 -1.473 -11.861 1.00 10.00 N ATOM 631 CZ ARG A 40 25.604 -1.473 -12.593 1.00 10.00 C ATOM 632 NH1 ARG A 40 26.244 -2.588 -12.811 1.00 10.00 N ATOM 633 NH2 ARG A 40 26.045 -0.357 -13.107 1.00 10.00 N ATOM 0 H ARG A 40 23.208 -0.221 -5.975 1.00 10.00 H new ATOM 0 HA ARG A 40 25.246 0.747 -7.853 1.00 10.00 H new ATOM 0 HB2 ARG A 40 24.453 -1.553 -7.953 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.776 -1.064 -7.819 1.00 10.00 H new ATOM 0 HG2 ARG A 40 22.620 -0.952 -10.090 1.00 10.00 H new ATOM 0 HG3 ARG A 40 23.853 0.292 -10.119 1.00 10.00 H new ATOM 0 HD2 ARG A 40 25.635 -1.539 -10.033 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.361 -2.737 -10.142 1.00 10.00 H new ATOM 0 HE ARG A 40 23.615 -1.311 -12.293 1.00 10.00 H new ATOM 0 HH11 ARG A 40 25.901 -3.460 -12.409 1.00 10.00 H new ATOM 0 HH12 ARG A 40 27.088 -2.588 -13.384 1.00 10.00 H new ATOM 0 HH21 ARG A 40 25.545 0.516 -12.936 1.00 10.00 H new ATOM 0 HH22 ARG A 40 26.889 -0.358 -13.680 1.00 10.00 H new ATOM 647 N LEU A 41 22.214 1.960 -8.040 1.00 10.00 N ATOM 648 CA LEU A 41 21.442 3.055 -8.698 1.00 10.00 C ATOM 649 C LEU A 41 22.273 4.342 -8.736 1.00 10.00 C ATOM 650 O LEU A 41 22.444 4.952 -9.773 1.00 10.00 O ATOM 651 CB LEU A 41 20.198 3.244 -7.827 1.00 10.00 C ATOM 652 CG LEU A 41 18.951 3.263 -8.715 1.00 10.00 C ATOM 653 CD1 LEU A 41 18.811 1.919 -9.430 1.00 10.00 C ATOM 654 CD2 LEU A 41 17.712 3.511 -7.850 1.00 10.00 C ATOM 0 H LEU A 41 21.713 1.453 -7.310 1.00 10.00 H new ATOM 0 HA LEU A 41 21.184 2.815 -9.729 1.00 10.00 H new ATOM 0 HB2 LEU A 41 20.126 2.437 -7.098 1.00 10.00 H new ATOM 0 HB3 LEU A 41 20.272 4.175 -7.266 1.00 10.00 H new ATOM 0 HG LEU A 41 19.045 4.059 -9.454 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.923 1.934 -10.062 1.00 10.00 H new ATOM 0 HD12 LEU A 41 19.692 1.741 -10.047 1.00 10.00 H new ATOM 0 HD13 LEU A 41 18.718 1.122 -8.692 1.00 10.00 H new ATOM 0 HD21 LEU A 41 16.824 3.525 -8.482 1.00 10.00 H new ATOM 0 HD22 LEU A 41 17.619 2.715 -7.111 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.810 4.470 -7.341 1.00 10.00 H new ATOM 666 N ARG A 42 22.793 4.760 -7.614 1.00 10.00 N ATOM 667 CA ARG A 42 23.612 6.007 -7.593 1.00 10.00 C ATOM 668 C ARG A 42 24.733 5.921 -8.634 1.00 10.00 C ATOM 669 O ARG A 42 25.131 6.909 -9.219 1.00 10.00 O ATOM 670 CB ARG A 42 24.198 6.073 -6.183 1.00 10.00 C ATOM 671 CG ARG A 42 23.157 6.649 -5.219 1.00 10.00 C ATOM 672 CD ARG A 42 23.625 8.013 -4.700 1.00 10.00 C ATOM 673 NE ARG A 42 25.079 7.848 -4.426 1.00 10.00 N ATOM 674 CZ ARG A 42 25.476 7.176 -3.380 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.305 7.672 -2.185 1.00 10.00 N ATOM 676 NH2 ARG A 42 26.042 6.011 -3.529 1.00 10.00 N ATOM 0 H ARG A 42 22.687 4.294 -6.713 1.00 10.00 H new ATOM 0 HA ARG A 42 23.022 6.892 -7.832 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.499 5.077 -5.857 1.00 10.00 H new ATOM 0 HB3 ARG A 42 25.094 6.694 -6.180 1.00 10.00 H new ATOM 0 HG2 ARG A 42 22.198 6.753 -5.726 1.00 10.00 H new ATOM 0 HG3 ARG A 42 23.004 5.965 -4.384 1.00 10.00 H new ATOM 0 HD2 ARG A 42 23.450 8.796 -5.437 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.084 8.298 -3.798 1.00 10.00 H new ATOM 0 HE ARG A 42 25.766 8.261 -5.057 1.00 10.00 H new ATOM 0 HH11 ARG A 42 24.862 8.583 -2.070 1.00 10.00 H new ATOM 0 HH12 ARG A 42 25.615 7.148 -1.366 1.00 10.00 H new ATOM 0 HH21 ARG A 42 26.175 5.624 -4.463 1.00 10.00 H new ATOM 0 HH22 ARG A 42 26.352 5.486 -2.711 1.00 10.00 H new ATOM 690 N GLU A 43 25.247 4.744 -8.866 1.00 10.00 N ATOM 691 CA GLU A 43 26.345 4.587 -9.864 1.00 10.00 C ATOM 692 C GLU A 43 25.763 4.207 -11.230 1.00 10.00 C ATOM 693 O GLU A 43 26.346 4.481 -12.261 1.00 10.00 O ATOM 694 CB GLU A 43 27.223 3.465 -9.295 1.00 10.00 C ATOM 695 CG GLU A 43 27.601 2.470 -10.399 1.00 10.00 C ATOM 696 CD GLU A 43 28.575 3.130 -11.374 1.00 10.00 C ATOM 697 OE1 GLU A 43 28.538 4.345 -11.487 1.00 10.00 O ATOM 698 OE2 GLU A 43 29.343 2.411 -11.993 1.00 10.00 O ATOM 0 H GLU A 43 24.954 3.882 -8.407 1.00 10.00 H new ATOM 0 HA GLU A 43 26.915 5.503 -10.020 1.00 10.00 H new ATOM 0 HB2 GLU A 43 28.125 3.889 -8.854 1.00 10.00 H new ATOM 0 HB3 GLU A 43 26.691 2.947 -8.497 1.00 10.00 H new ATOM 0 HG2 GLU A 43 28.056 1.581 -9.961 1.00 10.00 H new ATOM 0 HG3 GLU A 43 26.707 2.142 -10.929 1.00 10.00 H new ATOM 915 N LEU B 11 8.585 -8.561 3.839 1.00 10.00 N ATOM 916 CA LEU B 11 8.938 -7.211 3.318 1.00 10.00 C ATOM 917 C LEU B 11 8.049 -6.149 3.967 1.00 10.00 C ATOM 918 O LEU B 11 8.378 -4.980 3.994 1.00 10.00 O ATOM 919 CB LEU B 11 8.681 -7.283 1.816 1.00 10.00 C ATOM 920 CG LEU B 11 9.846 -6.634 1.065 1.00 10.00 C ATOM 921 CD1 LEU B 11 9.862 -7.129 -0.382 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.674 -5.114 1.078 1.00 10.00 C ATOM 0 HA LEU B 11 9.970 -6.940 3.538 1.00 10.00 H new ATOM 0 HB2 LEU B 11 8.568 -8.322 1.505 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.749 -6.774 1.571 1.00 10.00 H new ATOM 0 HG LEU B 11 10.784 -6.901 1.551 1.00 10.00 H new ATOM 0 HD11 LEU B 11 10.692 -6.666 -0.916 1.00 10.00 H new ATOM 0 HD12 LEU B 11 9.982 -8.212 -0.395 1.00 10.00 H new ATOM 0 HD13 LEU B 11 8.924 -6.862 -0.868 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.503 -4.649 0.544 1.00 10.00 H new ATOM 0 HD22 LEU B 11 8.735 -4.850 0.592 1.00 10.00 H new ATOM 0 HD23 LEU B 11 9.662 -4.758 2.108 1.00 10.00 H new ATOM 934 N THR B 12 6.922 -6.549 4.490 1.00 10.00 N ATOM 935 CA THR B 12 6.011 -5.565 5.138 1.00 10.00 C ATOM 936 C THR B 12 6.701 -4.921 6.341 1.00 10.00 C ATOM 937 O THR B 12 6.385 -3.814 6.726 1.00 10.00 O ATOM 938 CB THR B 12 4.799 -6.384 5.587 1.00 10.00 C ATOM 939 OG1 THR B 12 4.009 -6.717 4.455 1.00 10.00 O ATOM 940 CG2 THR B 12 3.962 -5.567 6.574 1.00 10.00 C ATOM 0 H THR B 12 6.593 -7.515 4.496 1.00 10.00 H new ATOM 0 HA THR B 12 5.728 -4.756 4.464 1.00 10.00 H new ATOM 0 HB THR B 12 5.140 -7.297 6.075 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.233 -7.243 4.741 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.100 -6.153 6.892 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.569 -5.314 7.443 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.620 -4.652 6.091 1.00 10.00 H new ATOM 948 N GLU B 13 7.636 -5.604 6.940 1.00 10.00 N ATOM 949 CA GLU B 13 8.339 -5.030 8.121 1.00 10.00 C ATOM 950 C GLU B 13 9.493 -4.127 7.674 1.00 10.00 C ATOM 951 O GLU B 13 9.581 -2.979 8.062 1.00 10.00 O ATOM 952 CB GLU B 13 8.873 -6.237 8.891 1.00 10.00 C ATOM 953 CG GLU B 13 7.799 -6.742 9.856 1.00 10.00 C ATOM 954 CD GLU B 13 8.112 -6.251 11.270 1.00 10.00 C ATOM 955 OE1 GLU B 13 9.225 -6.469 11.719 1.00 10.00 O ATOM 956 OE2 GLU B 13 7.233 -5.665 11.881 1.00 10.00 O ATOM 0 H GLU B 13 7.944 -6.536 6.662 1.00 10.00 H new ATOM 0 HA GLU B 13 7.677 -4.415 8.731 1.00 10.00 H new ATOM 0 HB2 GLU B 13 9.155 -7.029 8.197 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.772 -5.961 9.442 1.00 10.00 H new ATOM 0 HG2 GLU B 13 6.818 -6.384 9.544 1.00 10.00 H new ATOM 0 HG3 GLU B 13 7.762 -7.831 9.838 1.00 10.00 H new ATOM 963 N LEU B 14 10.380 -4.638 6.866 1.00 10.00 N ATOM 964 CA LEU B 14 11.530 -3.810 6.401 1.00 10.00 C ATOM 965 C LEU B 14 11.031 -2.592 5.619 1.00 10.00 C ATOM 966 O LEU B 14 11.451 -1.476 5.857 1.00 10.00 O ATOM 967 CB LEU B 14 12.342 -4.735 5.495 1.00 10.00 C ATOM 968 CG LEU B 14 13.056 -5.785 6.347 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.675 -6.848 5.436 1.00 10.00 C ATOM 970 CD2 LEU B 14 14.160 -5.112 7.165 1.00 10.00 C ATOM 0 H LEU B 14 10.359 -5.593 6.507 1.00 10.00 H new ATOM 0 HA LEU B 14 12.123 -3.427 7.231 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.686 -5.222 4.773 1.00 10.00 H new ATOM 0 HB3 LEU B 14 13.070 -4.157 4.926 1.00 10.00 H new ATOM 0 HG LEU B 14 12.339 -6.255 7.019 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.184 -7.596 6.044 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.890 -7.328 4.851 1.00 10.00 H new ATOM 0 HD13 LEU B 14 14.392 -6.378 4.763 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.670 -5.860 7.773 1.00 10.00 H new ATOM 0 HD22 LEU B 14 14.877 -4.642 6.492 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.721 -4.354 7.814 1.00 10.00 H new ATOM 982 N LEU B 15 10.139 -2.793 4.686 1.00 10.00 N ATOM 983 CA LEU B 15 9.623 -1.639 3.894 1.00 10.00 C ATOM 984 C LEU B 15 8.922 -0.636 4.813 1.00 10.00 C ATOM 985 O LEU B 15 9.271 0.527 4.848 1.00 10.00 O ATOM 986 CB LEU B 15 8.631 -2.242 2.900 1.00 10.00 C ATOM 987 CG LEU B 15 8.865 -1.635 1.515 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.276 -1.982 1.036 1.00 10.00 C ATOM 989 CD2 LEU B 15 7.840 -2.204 0.533 1.00 10.00 C ATOM 0 H LEU B 15 9.747 -3.702 4.439 1.00 10.00 H new ATOM 0 HA LEU B 15 10.424 -1.100 3.388 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.752 -3.324 2.860 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.609 -2.048 3.226 1.00 10.00 H new ATOM 0 HG LEU B 15 8.757 -0.552 1.569 1.00 10.00 H new ATOM 0 HD11 LEU B 15 10.442 -1.549 0.049 1.00 10.00 H new ATOM 0 HD12 LEU B 15 11.007 -1.579 1.737 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.385 -3.065 0.980 1.00 10.00 H new ATOM 0 HD21 LEU B 15 8.004 -1.773 -0.455 1.00 10.00 H new ATOM 0 HD22 LEU B 15 7.950 -3.287 0.479 1.00 10.00 H new ATOM 0 HD23 LEU B 15 6.834 -1.958 0.873 1.00 10.00 H new ATOM 1001 N GLN B 16 7.941 -1.071 5.562 1.00 10.00 N ATOM 1002 CA GLN B 16 7.239 -0.124 6.475 1.00 10.00 C ATOM 1003 C GLN B 16 8.264 0.789 7.143 1.00 10.00 C ATOM 1004 O GLN B 16 8.067 1.981 7.262 1.00 10.00 O ATOM 1005 CB GLN B 16 6.547 -1.002 7.517 1.00 10.00 C ATOM 1006 CG GLN B 16 5.032 -0.810 7.423 1.00 10.00 C ATOM 1007 CD GLN B 16 4.362 -1.415 8.659 1.00 10.00 C ATOM 1008 OE1 GLN B 16 3.737 -2.453 8.579 1.00 10.00 O ATOM 1009 NE2 GLN B 16 4.468 -0.804 9.808 1.00 10.00 N ATOM 0 H GLN B 16 7.599 -2.032 5.580 1.00 10.00 H new ATOM 0 HA GLN B 16 6.525 0.510 5.950 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.802 -2.049 7.353 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.896 -0.742 8.516 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.793 0.251 7.350 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.650 -1.286 6.520 1.00 10.00 H new ATOM 0 HE21 GLN B 16 4.993 0.068 9.875 1.00 10.00 H new ATOM 0 HE22 GLN B 16 4.026 -1.199 10.638 1.00 10.00 H new ATOM 1018 N GLY B 17 9.366 0.235 7.569 1.00 10.00 N ATOM 1019 CA GLY B 17 10.412 1.070 8.217 1.00 10.00 C ATOM 1020 C GLY B 17 10.742 2.243 7.299 1.00 10.00 C ATOM 1021 O GLY B 17 10.493 3.387 7.626 1.00 10.00 O ATOM 0 H GLY B 17 9.586 -0.758 7.496 1.00 10.00 H new ATOM 0 HA2 GLY B 17 10.060 1.434 9.183 1.00 10.00 H new ATOM 0 HA3 GLY B 17 11.306 0.476 8.406 1.00 10.00 H new ATOM 1025 N TYR B 18 11.292 1.970 6.143 1.00 10.00 N ATOM 1026 CA TYR B 18 11.630 3.072 5.199 1.00 10.00 C ATOM 1027 C TYR B 18 10.531 4.136 5.226 1.00 10.00 C ATOM 1028 O TYR B 18 10.774 5.288 5.530 1.00 10.00 O ATOM 1029 CB TYR B 18 11.707 2.411 3.823 1.00 10.00 C ATOM 1030 CG TYR B 18 12.811 3.055 3.023 1.00 10.00 C ATOM 1031 CD1 TYR B 18 14.080 3.218 3.592 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.568 3.495 1.716 1.00 10.00 C ATOM 1033 CE1 TYR B 18 15.107 3.820 2.855 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.594 4.098 0.979 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.864 4.260 1.547 1.00 10.00 C ATOM 1036 OH TYR B 18 15.874 4.856 0.820 1.00 10.00 O ATOM 0 H TYR B 18 11.521 1.032 5.814 1.00 10.00 H new ATOM 0 HA TYR B 18 12.564 3.570 5.459 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.895 1.343 3.930 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.755 2.517 3.302 1.00 10.00 H new ATOM 0 HD1 TYR B 18 14.267 2.879 4.600 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.589 3.369 1.277 1.00 10.00 H new ATOM 0 HE1 TYR B 18 16.086 3.945 3.294 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.406 4.439 -0.029 1.00 10.00 H new ATOM 0 HH TYR B 18 15.694 5.816 0.736 1.00 10.00 H new ATOM 1046 N THR B 19 9.321 3.757 4.920 1.00 10.00 N ATOM 1047 CA THR B 19 8.206 4.745 4.936 1.00 10.00 C ATOM 1048 C THR B 19 8.196 5.501 6.267 1.00 10.00 C ATOM 1049 O THR B 19 7.876 6.670 6.325 1.00 10.00 O ATOM 1050 CB THR B 19 6.934 3.906 4.785 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.734 3.597 3.412 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.731 4.690 5.313 1.00 10.00 C ATOM 0 H THR B 19 9.056 2.807 4.660 1.00 10.00 H new ATOM 0 HA THR B 19 8.298 5.490 4.146 1.00 10.00 H new ATOM 0 HB THR B 19 7.039 2.984 5.356 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.921 3.058 3.313 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.828 4.089 5.203 1.00 10.00 H new ATOM 0 HG22 THR B 19 5.884 4.926 6.366 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.622 5.615 4.746 1.00 10.00 H new ATOM 1060 N VAL B 20 8.545 4.840 7.339 1.00 10.00 N ATOM 1061 CA VAL B 20 8.553 5.522 8.665 1.00 10.00 C ATOM 1062 C VAL B 20 9.849 6.317 8.850 1.00 10.00 C ATOM 1063 O VAL B 20 9.896 7.276 9.594 1.00 10.00 O ATOM 1064 CB VAL B 20 8.463 4.395 9.693 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.809 4.941 11.080 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.039 3.833 9.710 1.00 10.00 C ATOM 0 H VAL B 20 8.824 3.859 7.353 1.00 10.00 H new ATOM 0 HA VAL B 20 7.732 6.232 8.766 1.00 10.00 H new ATOM 0 HB VAL B 20 9.164 3.604 9.427 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.745 4.137 11.814 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.822 5.344 11.070 1.00 10.00 H new ATOM 0 HG13 VAL B 20 8.107 5.731 11.345 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.974 3.029 10.443 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.339 4.625 9.976 1.00 10.00 H new ATOM 0 HG23 VAL B 20 6.789 3.445 8.723 1.00 10.00 H new ATOM 1076 N GLU B 21 10.901 5.933 8.178 1.00 10.00 N ATOM 1077 CA GLU B 21 12.185 6.681 8.323 1.00 10.00 C ATOM 1078 C GLU B 21 12.217 7.836 7.330 1.00 10.00 C ATOM 1079 O GLU B 21 12.520 8.962 7.673 1.00 10.00 O ATOM 1080 CB GLU B 21 13.307 5.689 7.996 1.00 10.00 C ATOM 1081 CG GLU B 21 12.799 4.262 8.150 1.00 10.00 C ATOM 1082 CD GLU B 21 13.951 3.347 8.568 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.929 3.858 9.090 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.837 2.151 8.357 1.00 10.00 O ATOM 0 H GLU B 21 10.928 5.139 7.538 1.00 10.00 H new ATOM 0 HA GLU B 21 12.297 7.088 9.328 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.661 5.850 6.978 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.156 5.855 8.659 1.00 10.00 H new ATOM 0 HG2 GLU B 21 12.005 4.227 8.896 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.369 3.915 7.210 1.00 10.00 H new ATOM 1091 N VAL B 22 11.907 7.560 6.096 1.00 10.00 N ATOM 1092 CA VAL B 22 11.919 8.633 5.068 1.00 10.00 C ATOM 1093 C VAL B 22 10.936 9.741 5.453 1.00 10.00 C ATOM 1094 O VAL B 22 11.189 10.909 5.237 1.00 10.00 O ATOM 1095 CB VAL B 22 11.488 7.950 3.772 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.870 8.836 2.592 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.200 6.601 3.636 1.00 10.00 C ATOM 0 H VAL B 22 11.645 6.635 5.755 1.00 10.00 H new ATOM 0 HA VAL B 22 12.899 9.101 4.969 1.00 10.00 H new ATOM 0 HB VAL B 22 10.410 7.790 3.787 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.566 8.355 1.662 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.369 9.800 2.683 1.00 10.00 H new ATOM 0 HG13 VAL B 22 12.949 8.988 2.585 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.889 6.117 2.710 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.278 6.759 3.619 1.00 10.00 H new ATOM 0 HG23 VAL B 22 11.940 5.965 4.482 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.819 9.387 6.029 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.830 10.429 6.431 1.00 10.00 C ATOM 1109 C LEU B 23B 9.323 11.154 7.687 1.00 10.00 C ATOM 1110 O LEU B 23B 9.123 12.341 7.849 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.538 9.666 6.725 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.573 9.823 5.548 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 7.050 8.963 4.377 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 5.175 9.372 5.974 1.00 10.00 C ATOM 0 H LEU B 23B 9.549 8.426 6.238 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.684 11.183 5.658 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.756 8.611 6.892 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.079 10.045 7.638 1.00 10.00 H new ATOM 0 HG LEU B 23B 6.542 10.868 5.241 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 6.362 9.075 3.539 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 8.047 9.282 4.073 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 7.082 7.917 4.683 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 4.486 9.483 5.137 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 5.208 8.327 6.281 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 4.834 9.984 6.809 1.00 10.00 H new ATOM 1126 N ARG B 24 9.969 10.446 8.574 1.00 10.00 N ATOM 1127 CA ARG B 24 10.480 11.093 9.816 1.00 10.00 C ATOM 1128 C ARG B 24 11.625 12.052 9.474 1.00 10.00 C ATOM 1129 O ARG B 24 12.083 12.810 10.305 1.00 10.00 O ATOM 1130 CB ARG B 24 10.986 9.939 10.682 1.00 10.00 C ATOM 1131 CG ARG B 24 10.955 10.351 12.155 1.00 10.00 C ATOM 1132 CD ARG B 24 9.838 9.592 12.875 1.00 10.00 C ATOM 1133 NE ARG B 24 9.395 10.504 13.964 1.00 10.00 N ATOM 1134 CZ ARG B 24 9.619 10.188 15.211 1.00 10.00 C ATOM 1135 NH1 ARG B 24 9.582 8.938 15.584 1.00 10.00 N ATOM 1136 NH2 ARG B 24 9.879 11.123 16.084 1.00 10.00 N ATOM 0 H ARG B 24 10.165 9.448 8.492 1.00 10.00 H new ATOM 0 HA ARG B 24 9.715 11.679 10.326 1.00 10.00 H new ATOM 0 HB2 ARG B 24 10.366 9.056 10.528 1.00 10.00 H new ATOM 0 HB3 ARG B 24 12.001 9.670 10.390 1.00 10.00 H new ATOM 0 HG2 ARG B 24 11.915 10.136 12.624 1.00 10.00 H new ATOM 0 HG3 ARG B 24 10.792 11.425 12.240 1.00 10.00 H new ATOM 0 HD2 ARG B 24 9.017 9.359 12.196 1.00 10.00 H new ATOM 0 HD3 ARG B 24 10.199 8.645 13.275 1.00 10.00 H new ATOM 0 HE ARG B 24 8.917 11.376 13.737 1.00 10.00 H new ATOM 0 HH11 ARG B 24 9.378 8.208 14.901 1.00 10.00 H new ATOM 0 HH12 ARG B 24 9.757 8.691 16.558 1.00 10.00 H new ATOM 0 HH21 ARG B 24 9.907 12.100 15.792 1.00 10.00 H new ATOM 0 HH22 ARG B 24 10.054 10.877 17.058 1.00 10.00 H new ATOM 1150 N GLN B 25 12.085 12.023 8.254 1.00 10.00 N ATOM 1151 CA GLN B 25 13.195 12.928 7.849 1.00 10.00 C ATOM 1152 C GLN B 25 13.222 13.071 6.326 1.00 10.00 C ATOM 1153 O GLN B 25 14.275 13.129 5.722 1.00 10.00 O ATOM 1154 CB GLN B 25 14.470 12.244 8.349 1.00 10.00 C ATOM 1155 CG GLN B 25 14.720 10.969 7.542 1.00 10.00 C ATOM 1156 CD GLN B 25 16.207 10.612 7.600 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.745 10.050 6.667 1.00 10.00 O ATOM 1158 NE2 GLN B 25 16.896 10.916 8.664 1.00 10.00 N ATOM 0 H GLN B 25 11.738 11.409 7.518 1.00 10.00 H new ATOM 0 HA GLN B 25 13.086 13.931 8.263 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.319 12.920 8.252 1.00 10.00 H new ATOM 0 HB3 GLN B 25 14.374 12.003 9.408 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.122 10.150 7.942 1.00 10.00 H new ATOM 0 HG3 GLN B 25 14.410 11.114 6.507 1.00 10.00 H new ATOM 0 HE21 GLN B 25 16.444 11.388 9.447 1.00 10.00 H new ATOM 0 HE22 GLN B 25 17.888 10.682 8.714 1.00 10.00 H new ATOM 1167 N GLN B 26 12.068 13.122 5.709 1.00 10.00 N ATOM 1168 CA GLN B 26 11.994 13.255 4.219 1.00 10.00 C ATOM 1169 C GLN B 26 13.337 13.707 3.638 1.00 10.00 C ATOM 1170 O GLN B 26 13.569 14.885 3.452 1.00 10.00 O ATOM 1171 CB GLN B 26 10.922 14.318 3.973 1.00 10.00 C ATOM 1172 CG GLN B 26 9.608 13.638 3.580 1.00 10.00 C ATOM 1173 CD GLN B 26 8.458 14.641 3.696 1.00 10.00 C ATOM 1174 OE1 GLN B 26 7.854 15.007 2.708 1.00 10.00 O ATOM 1175 NE2 GLN B 26 8.130 15.105 4.871 1.00 10.00 N ATOM 0 H GLN B 26 11.163 13.077 6.178 1.00 10.00 H new ATOM 0 HA GLN B 26 11.756 12.305 3.740 1.00 10.00 H new ATOM 0 HB2 GLN B 26 10.778 14.919 4.871 1.00 10.00 H new ATOM 0 HB3 GLN B 26 11.243 14.997 3.183 1.00 10.00 H new ATOM 0 HG2 GLN B 26 9.673 13.260 2.560 1.00 10.00 H new ATOM 0 HG3 GLN B 26 9.423 12.780 4.227 1.00 10.00 H new ATOM 0 HE21 GLN B 26 8.637 14.797 5.701 1.00 10.00 H new ATOM 0 HE22 GLN B 26 7.366 15.775 4.960 1.00 10.00 H new ATOM 1184 N PRO B 27 14.179 12.745 3.374 1.00 10.00 N ATOM 1185 CA PRO B 27 15.519 13.032 2.810 1.00 10.00 C ATOM 1186 C PRO B 27 15.401 13.528 1.367 1.00 10.00 C ATOM 1187 O PRO B 27 14.382 13.352 0.730 1.00 10.00 O ATOM 1188 CB PRO B 27 16.231 11.681 2.869 1.00 10.00 C ATOM 1189 CG PRO B 27 15.129 10.672 2.866 1.00 10.00 C ATOM 1190 CD PRO B 27 13.964 11.310 3.574 1.00 10.00 C ATOM 0 HA PRO B 27 16.053 13.812 3.352 1.00 10.00 H new ATOM 0 HB2 PRO B 27 16.895 11.545 2.015 1.00 10.00 H new ATOM 0 HB3 PRO B 27 16.844 11.595 3.766 1.00 10.00 H new ATOM 0 HG2 PRO B 27 14.859 10.395 1.847 1.00 10.00 H new ATOM 0 HG3 PRO B 27 15.438 9.758 3.373 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.013 10.985 3.152 1.00 10.00 H new ATOM 0 HD3 PRO B 27 13.948 11.051 4.633 1.00 10.00 H new ATOM 1198 N PRO B 28 16.457 14.136 0.903 1.00 10.00 N ATOM 1199 CA PRO B 28 16.486 14.671 -0.480 1.00 10.00 C ATOM 1200 C PRO B 28 16.509 13.528 -1.500 1.00 10.00 C ATOM 1201 O PRO B 28 15.855 13.584 -2.522 1.00 10.00 O ATOM 1202 CB PRO B 28 17.785 15.472 -0.527 1.00 10.00 C ATOM 1203 CG PRO B 28 18.644 14.863 0.532 1.00 10.00 C ATOM 1204 CD PRO B 28 17.714 14.383 1.613 1.00 10.00 C ATOM 0 HA PRO B 28 15.611 15.273 -0.724 1.00 10.00 H new ATOM 0 HB2 PRO B 28 18.257 15.404 -1.507 1.00 10.00 H new ATOM 0 HB3 PRO B 28 17.606 16.529 -0.332 1.00 10.00 H new ATOM 0 HG2 PRO B 28 19.229 14.037 0.129 1.00 10.00 H new ATOM 0 HG3 PRO B 28 19.352 15.593 0.925 1.00 10.00 H new ATOM 0 HD2 PRO B 28 18.089 13.478 2.091 1.00 10.00 H new ATOM 0 HD3 PRO B 28 17.591 15.130 2.397 1.00 10.00 H new ATOM 1212 N ASP B 29 17.257 12.492 -1.231 1.00 10.00 N ATOM 1213 CA ASP B 29 17.319 11.351 -2.188 1.00 10.00 C ATOM 1214 C ASP B 29 17.236 10.020 -1.434 1.00 10.00 C ATOM 1215 O ASP B 29 17.932 9.802 -0.462 1.00 10.00 O ATOM 1216 CB ASP B 29 18.672 11.490 -2.884 1.00 10.00 C ATOM 1217 CG ASP B 29 18.634 12.685 -3.840 1.00 10.00 C ATOM 1218 OD1 ASP B 29 17.594 12.905 -4.438 1.00 10.00 O ATOM 1219 OD2 ASP B 29 19.645 13.360 -3.956 1.00 10.00 O ATOM 0 H ASP B 29 17.827 12.387 -0.391 1.00 10.00 H new ATOM 0 HA ASP B 29 16.492 11.364 -2.898 1.00 10.00 H new ATOM 0 HB2 ASP B 29 19.461 11.627 -2.144 1.00 10.00 H new ATOM 0 HB3 ASP B 29 18.906 10.578 -3.434 1.00 10.00 H new ATOM 1224 N LEU B 30 16.390 9.130 -1.875 1.00 10.00 N ATOM 1225 CA LEU B 30 16.265 7.812 -1.185 1.00 10.00 C ATOM 1226 C LEU B 30 17.422 6.895 -1.583 1.00 10.00 C ATOM 1227 O LEU B 30 18.081 6.317 -0.744 1.00 10.00 O ATOM 1228 CB LEU B 30 14.935 7.235 -1.672 1.00 10.00 C ATOM 1229 CG LEU B 30 13.826 8.268 -1.471 1.00 10.00 C ATOM 1230 CD1 LEU B 30 13.181 8.591 -2.820 1.00 10.00 C ATOM 1231 CD2 LEU B 30 12.770 7.699 -0.523 1.00 10.00 C ATOM 0 H LEU B 30 15.780 9.257 -2.682 1.00 10.00 H new ATOM 0 HA LEU B 30 16.295 7.910 -0.100 1.00 10.00 H new ATOM 0 HB2 LEU B 30 15.008 6.965 -2.725 1.00 10.00 H new ATOM 0 HB3 LEU B 30 14.700 6.322 -1.124 1.00 10.00 H new ATOM 0 HG LEU B 30 14.247 9.178 -1.043 1.00 10.00 H new ATOM 0 HD11 LEU B 30 12.390 9.327 -2.678 1.00 10.00 H new ATOM 0 HD12 LEU B 30 13.935 8.994 -3.497 1.00 10.00 H new ATOM 0 HD13 LEU B 30 12.758 7.682 -3.248 1.00 10.00 H new ATOM 0 HD21 LEU B 30 11.978 8.433 -0.378 1.00 10.00 H new ATOM 0 HD22 LEU B 30 12.348 6.790 -0.952 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.230 7.467 0.437 1.00 10.00 H new ATOM 1243 N VAL B 31 17.671 6.763 -2.860 1.00 10.00 N ATOM 1244 CA VAL B 31 18.787 5.885 -3.330 1.00 10.00 C ATOM 1245 C VAL B 31 19.882 5.795 -2.268 1.00 10.00 C ATOM 1246 O VAL B 31 20.175 4.737 -1.746 1.00 10.00 O ATOM 1247 CB VAL B 31 19.331 6.572 -4.581 1.00 10.00 C ATOM 1248 CG1 VAL B 31 20.234 5.600 -5.342 1.00 10.00 C ATOM 1249 CG2 VAL B 31 18.166 6.994 -5.482 1.00 10.00 C ATOM 0 H VAL B 31 17.147 7.227 -3.602 1.00 10.00 H new ATOM 0 HA VAL B 31 18.447 4.868 -3.528 1.00 10.00 H new ATOM 0 HB VAL B 31 19.903 7.453 -4.291 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.623 6.088 -6.235 1.00 10.00 H new ATOM 0 HG12 VAL B 31 21.064 5.298 -4.703 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.659 4.720 -5.631 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.555 7.484 -6.374 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.593 6.113 -5.772 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.520 7.685 -4.941 1.00 10.00 H new ATOM 1259 N ASP B 32 20.487 6.903 -1.949 1.00 10.00 N ATOM 1260 CA ASP B 32 21.564 6.898 -0.922 1.00 10.00 C ATOM 1261 C ASP B 32 20.996 6.465 0.434 1.00 10.00 C ATOM 1262 O ASP B 32 21.511 5.570 1.075 1.00 10.00 O ATOM 1263 CB ASP B 32 22.063 8.346 -0.889 1.00 10.00 C ATOM 1264 CG ASP B 32 21.773 8.977 0.477 1.00 10.00 C ATOM 1265 OD1 ASP B 32 22.389 8.557 1.443 1.00 10.00 O ATOM 1266 OD2 ASP B 32 20.943 9.868 0.532 1.00 10.00 O ATOM 0 H ASP B 32 20.282 7.815 -2.357 1.00 10.00 H new ATOM 0 HA ASP B 32 22.370 6.200 -1.149 1.00 10.00 H new ATOM 0 HB2 ASP B 32 23.134 8.373 -1.090 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.576 8.924 -1.675 1.00 10.00 H new ATOM 1271 N PHE B 33 19.935 7.086 0.873 1.00 10.00 N ATOM 1272 CA PHE B 33 19.337 6.700 2.183 1.00 10.00 C ATOM 1273 C PHE B 33 19.002 5.207 2.178 1.00 10.00 C ATOM 1274 O PHE B 33 19.363 4.476 3.078 1.00 10.00 O ATOM 1275 CB PHE B 33 18.063 7.537 2.301 1.00 10.00 C ATOM 1276 CG PHE B 33 17.344 7.184 3.582 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.878 7.575 4.816 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.145 6.463 3.536 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.213 7.247 6.004 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.477 6.135 4.724 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.012 6.527 5.958 1.00 10.00 C ATOM 0 H PHE B 33 19.457 7.842 0.383 1.00 10.00 H new ATOM 0 HA PHE B 33 20.014 6.876 3.019 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.311 8.598 2.291 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.414 7.353 1.445 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.804 8.130 4.852 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.734 6.159 2.584 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.626 7.549 6.955 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.551 5.581 4.688 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.499 6.274 6.874 1.00 10.00 H new ATOM 1291 N ALA B 34 18.321 4.748 1.164 1.00 10.00 N ATOM 1292 CA ALA B 34 17.970 3.302 1.094 1.00 10.00 C ATOM 1293 C ALA B 34 19.238 2.458 1.233 1.00 10.00 C ATOM 1294 O ALA B 34 19.207 1.344 1.714 1.00 10.00 O ATOM 1295 CB ALA B 34 17.348 3.112 -0.291 1.00 10.00 C ATOM 0 H ALA B 34 17.992 5.313 0.381 1.00 10.00 H new ATOM 0 HA ALA B 34 17.289 2.997 1.888 1.00 10.00 H new ATOM 0 HB1 ALA B 34 17.061 2.068 -0.421 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.465 3.745 -0.383 1.00 10.00 H new ATOM 0 HB3 ALA B 34 18.074 3.387 -1.057 1.00 10.00 H new ATOM 1301 N VAL B 35 20.355 2.986 0.812 1.00 10.00 N ATOM 1302 CA VAL B 35 21.628 2.234 0.911 1.00 10.00 C ATOM 1303 C VAL B 35 22.215 2.387 2.316 1.00 10.00 C ATOM 1304 O VAL B 35 22.470 1.420 3.004 1.00 10.00 O ATOM 1305 CB VAL B 35 22.516 2.903 -0.134 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.980 2.630 0.181 1.00 10.00 C ATOM 1307 CG2 VAL B 35 22.180 2.345 -1.515 1.00 10.00 C ATOM 0 H VAL B 35 20.436 3.916 0.400 1.00 10.00 H new ATOM 0 HA VAL B 35 21.519 1.163 0.741 1.00 10.00 H new ATOM 0 HB VAL B 35 22.341 3.979 -0.120 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.609 3.110 -0.569 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.221 3.029 1.166 1.00 10.00 H new ATOM 0 HG13 VAL B 35 24.160 1.555 0.171 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.813 2.821 -2.264 1.00 10.00 H new ATOM 0 HG22 VAL B 35 22.353 1.269 -1.525 1.00 10.00 H new ATOM 0 HG23 VAL B 35 21.133 2.546 -1.744 1.00 10.00 H new ATOM 1317 N GLU B 36 22.428 3.600 2.746 1.00 10.00 N ATOM 1318 CA GLU B 36 22.999 3.830 4.104 1.00 10.00 C ATOM 1319 C GLU B 36 22.174 3.087 5.163 1.00 10.00 C ATOM 1320 O GLU B 36 22.707 2.551 6.115 1.00 10.00 O ATOM 1321 CB GLU B 36 22.929 5.355 4.292 1.00 10.00 C ATOM 1322 CG GLU B 36 22.226 5.719 5.607 1.00 10.00 C ATOM 1323 CD GLU B 36 23.266 5.841 6.724 1.00 10.00 C ATOM 1324 OE1 GLU B 36 24.430 5.601 6.452 1.00 10.00 O ATOM 1325 OE2 GLU B 36 22.878 6.175 7.832 1.00 10.00 O ATOM 0 H GLU B 36 22.230 4.447 2.213 1.00 10.00 H new ATOM 0 HA GLU B 36 24.018 3.458 4.208 1.00 10.00 H new ATOM 0 HB2 GLU B 36 23.936 5.772 4.287 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.395 5.803 3.454 1.00 10.00 H new ATOM 0 HG2 GLU B 36 21.685 6.659 5.495 1.00 10.00 H new ATOM 0 HG3 GLU B 36 21.490 4.956 5.862 1.00 10.00 H new ATOM 1332 N TYR B 37 20.879 3.054 5.008 1.00 10.00 N ATOM 1333 CA TYR B 37 20.026 2.352 6.010 1.00 10.00 C ATOM 1334 C TYR B 37 20.174 0.832 5.874 1.00 10.00 C ATOM 1335 O TYR B 37 20.497 0.145 6.822 1.00 10.00 O ATOM 1336 CB TYR B 37 18.595 2.778 5.683 1.00 10.00 C ATOM 1337 CG TYR B 37 17.622 1.875 6.403 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.571 1.875 7.803 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.772 1.035 5.671 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.670 1.036 8.470 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.872 0.197 6.339 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.821 0.197 7.738 1.00 10.00 C ATOM 1343 OH TYR B 37 14.932 -0.629 8.397 1.00 10.00 O ATOM 0 H TYR B 37 20.374 3.482 4.232 1.00 10.00 H new ATOM 0 HA TYR B 37 20.307 2.606 7.032 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.436 3.814 5.982 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.426 2.727 4.607 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.226 2.522 8.368 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.811 1.034 4.592 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.630 1.036 9.549 1.00 10.00 H new ATOM 0 HE2 TYR B 37 15.216 -0.450 5.775 1.00 10.00 H new ATOM 0 HH TYR B 37 14.143 -0.113 8.666 1.00 10.00 H new ATOM 1353 N PHE B 38 19.933 0.304 4.707 1.00 10.00 N ATOM 1354 CA PHE B 38 20.051 -1.171 4.519 1.00 10.00 C ATOM 1355 C PHE B 38 21.512 -1.615 4.650 1.00 10.00 C ATOM 1356 O PHE B 38 21.838 -2.462 5.459 1.00 10.00 O ATOM 1357 CB PHE B 38 19.526 -1.434 3.107 1.00 10.00 C ATOM 1358 CG PHE B 38 18.017 -1.442 3.130 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.336 -2.164 4.117 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.297 -0.724 2.166 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.935 -2.170 4.140 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.897 -0.730 2.189 1.00 10.00 C ATOM 1363 CZ PHE B 38 15.216 -1.453 3.176 1.00 10.00 C ATOM 0 H PHE B 38 19.660 0.828 3.876 1.00 10.00 H new ATOM 0 HA PHE B 38 19.491 -1.727 5.270 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.887 -0.665 2.423 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.901 -2.389 2.739 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.891 -2.717 4.861 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.822 -0.166 1.405 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.410 -2.728 4.901 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.342 -0.177 1.445 1.00 10.00 H new ATOM 0 HZ PHE B 38 14.136 -1.458 3.194 1.00 10.00 H new ATOM 1373 N THR B 39 22.395 -1.054 3.868 1.00 10.00 N ATOM 1374 CA THR B 39 23.829 -1.456 3.964 1.00 10.00 C ATOM 1375 C THR B 39 24.252 -1.539 5.432 1.00 10.00 C ATOM 1376 O THR B 39 24.956 -2.442 5.836 1.00 10.00 O ATOM 1377 CB THR B 39 24.609 -0.358 3.237 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.442 -0.503 1.835 1.00 10.00 O ATOM 1379 CG2 THR B 39 26.091 -0.468 3.587 1.00 10.00 C ATOM 0 H THR B 39 22.188 -0.339 3.171 1.00 10.00 H new ATOM 0 HA THR B 39 24.013 -2.436 3.523 1.00 10.00 H new ATOM 0 HB THR B 39 24.233 0.617 3.547 1.00 10.00 H new ATOM 0 HG1 THR B 39 25.286 -0.798 1.434 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.646 0.314 3.069 1.00 10.00 H new ATOM 0 HG22 THR B 39 26.220 -0.353 4.663 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.466 -1.444 3.279 1.00 10.00 H new ATOM 1387 N ARG B 40 23.821 -0.605 6.237 1.00 10.00 N ATOM 1388 CA ARG B 40 24.194 -0.634 7.679 1.00 10.00 C ATOM 1389 C ARG B 40 23.448 -1.767 8.390 1.00 10.00 C ATOM 1390 O ARG B 40 23.979 -2.418 9.267 1.00 10.00 O ATOM 1391 CB ARG B 40 23.760 0.727 8.228 1.00 10.00 C ATOM 1392 CG ARG B 40 23.661 0.661 9.755 1.00 10.00 C ATOM 1393 CD ARG B 40 24.658 1.641 10.377 1.00 10.00 C ATOM 1394 NE ARG B 40 24.559 1.407 11.845 1.00 10.00 N ATOM 1395 CZ ARG B 40 25.638 1.391 12.579 1.00 10.00 C ATOM 1396 NH1 ARG B 40 26.276 2.505 12.825 1.00 10.00 N ATOM 1397 NH2 ARG B 40 26.078 0.265 13.069 1.00 10.00 N ATOM 0 H ARG B 40 23.227 0.176 5.958 1.00 10.00 H new ATOM 0 HA ARG B 40 25.259 -0.810 7.830 1.00 10.00 H new ATOM 0 HB2 ARG B 40 24.476 1.494 7.933 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.797 1.011 7.804 1.00 10.00 H new ATOM 0 HG2 ARG B 40 22.648 0.905 10.075 1.00 10.00 H new ATOM 0 HG3 ARG B 40 23.868 -0.352 10.099 1.00 10.00 H new ATOM 0 HD2 ARG B 40 25.670 1.458 10.015 1.00 10.00 H new ATOM 0 HD3 ARG B 40 24.410 2.672 10.123 1.00 10.00 H new ATOM 0 HE ARG B 40 23.647 1.259 12.277 1.00 10.00 H new ATOM 0 HH11 ARG B 40 25.930 3.386 12.443 1.00 10.00 H new ATOM 0 HH12 ARG B 40 27.119 2.494 13.399 1.00 10.00 H new ATOM 0 HH21 ARG B 40 25.579 -0.604 12.879 1.00 10.00 H new ATOM 0 HH22 ARG B 40 26.921 0.253 13.643 1.00 10.00 H new ATOM 1411 N LEU B 41 22.221 -2.008 8.018 1.00 10.00 N ATOM 1412 CA LEU B 41 21.444 -3.100 8.673 1.00 10.00 C ATOM 1413 C LEU B 41 22.267 -4.391 8.706 1.00 10.00 C ATOM 1414 O LEU B 41 22.434 -5.006 9.741 1.00 10.00 O ATOM 1415 CB LEU B 41 20.197 -3.274 7.806 1.00 10.00 C ATOM 1416 CG LEU B 41 18.954 -3.285 8.699 1.00 10.00 C ATOM 1417 CD1 LEU B 41 18.823 -1.938 9.412 1.00 10.00 C ATOM 1418 CD2 LEU B 41 17.711 -3.526 7.839 1.00 10.00 C ATOM 0 H LEU B 41 21.722 -1.497 7.290 1.00 10.00 H new ATOM 0 HA LEU B 41 21.189 -2.864 9.706 1.00 10.00 H new ATOM 0 HB2 LEU B 41 20.129 -2.464 7.080 1.00 10.00 H new ATOM 0 HB3 LEU B 41 20.260 -4.204 7.241 1.00 10.00 H new ATOM 0 HG LEU B 41 19.047 -4.080 9.439 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.937 -1.947 10.047 1.00 10.00 H new ATOM 0 HD12 LEU B 41 19.707 -1.763 10.025 1.00 10.00 H new ATOM 0 HD13 LEU B 41 18.731 -1.142 8.673 1.00 10.00 H new ATOM 0 HD21 LEU B 41 16.825 -3.534 8.474 1.00 10.00 H new ATOM 0 HD22 LEU B 41 17.620 -2.730 7.100 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.801 -4.486 7.330 1.00 10.00 H new ATOM 1430 N ARG B 42 22.784 -4.807 7.581 1.00 10.00 N ATOM 1431 CA ARG B 42 23.598 -6.058 7.553 1.00 10.00 C ATOM 1432 C ARG B 42 24.723 -5.979 8.587 1.00 10.00 C ATOM 1433 O ARG B 42 25.116 -6.972 9.169 1.00 10.00 O ATOM 1434 CB ARG B 42 24.178 -6.122 6.140 1.00 10.00 C ATOM 1435 CG ARG B 42 23.133 -6.701 5.182 1.00 10.00 C ATOM 1436 CD ARG B 42 23.597 -8.067 4.667 1.00 10.00 C ATOM 1437 NE ARG B 42 25.050 -7.906 4.382 1.00 10.00 N ATOM 1438 CZ ARG B 42 25.441 -7.224 3.340 1.00 10.00 C ATOM 1439 NH1 ARG B 42 25.274 -7.711 2.141 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.001 -6.056 3.498 1.00 10.00 N ATOM 0 H ARG B 42 22.679 -4.337 6.682 1.00 10.00 H new ATOM 0 HA ARG B 42 23.005 -6.941 7.792 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.474 -5.126 5.812 1.00 10.00 H new ATOM 0 HB3 ARG B 42 25.076 -6.740 6.132 1.00 10.00 H new ATOM 0 HG2 ARG B 42 22.175 -6.801 5.693 1.00 10.00 H new ATOM 0 HG3 ARG B 42 22.978 -6.021 4.345 1.00 10.00 H new ATOM 0 HD2 ARG B 42 23.426 -8.846 5.410 1.00 10.00 H new ATOM 0 HD3 ARG B 42 23.050 -8.356 3.770 1.00 10.00 H new ATOM 0 HE ARG B 42 25.741 -8.329 5.002 1.00 10.00 H new ATOM 0 HH11 ARG B 42 24.838 -8.625 2.018 1.00 10.00 H new ATOM 0 HH12 ARG B 42 25.580 -7.178 1.327 1.00 10.00 H new ATOM 0 HH21 ARG B 42 26.133 -5.676 4.435 1.00 10.00 H new ATOM 0 HH22 ARG B 42 26.307 -5.523 2.684 1.00 10.00 H new