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= 0.0146 USER MOD Single : A 16 GLN : amide:sc= -1.97 K(o=-2,f=-7.3!) USER MOD Single : A 18 TYR OH : rot -100:sc= -9.31! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -4.35! C(o=-4.4!,f=-13!) USER MOD Single : A 26 GLN : amide:sc= -0.487 K(o=-0.49,f=-3.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 72:sc= -3.64! USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : B 16 GLN : amide:sc= -2.03 K(o=-2,f=-7.4!) USER MOD Single : B 18 TYR OH : rot -98:sc= -9.54! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -4.27! C(o=-4.3!,f=-13!) USER MOD Single : B 26 GLN : amide:sc= -0.502 K(o=-0.5,f=-3.3!) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 76:sc= -3.32! USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 11 10.139 7.895 -5.152 1.00 10.00 N ATOM 152 CA LEU A 11 9.865 6.974 -4.012 1.00 10.00 C ATOM 153 C LEU A 11 8.881 5.877 -4.431 1.00 10.00 C ATOM 154 O LEU A 11 9.196 4.704 -4.400 1.00 10.00 O ATOM 155 CB LEU A 11 9.249 7.866 -2.934 1.00 10.00 C ATOM 156 CG LEU A 11 9.235 7.126 -1.595 1.00 10.00 C ATOM 157 CD1 LEU A 11 8.152 6.045 -1.618 1.00 10.00 C ATOM 158 CD2 LEU A 11 10.599 6.475 -1.355 1.00 10.00 C ATOM 0 HA LEU A 11 10.765 6.467 -3.664 1.00 10.00 H new ATOM 0 HB2 LEU A 11 9.820 8.790 -2.843 1.00 10.00 H new ATOM 0 HB3 LEU A 11 8.234 8.145 -3.216 1.00 10.00 H new ATOM 0 HG LEU A 11 9.024 7.834 -0.794 1.00 10.00 H new ATOM 0 HD11 LEU A 11 8.143 5.519 -0.664 1.00 10.00 H new ATOM 0 HD12 LEU A 11 7.180 6.508 -1.786 1.00 10.00 H new ATOM 0 HD13 LEU A 11 8.361 5.338 -2.421 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.588 5.948 -0.401 1.00 10.00 H new ATOM 0 HD22 LEU A 11 10.811 5.768 -2.157 1.00 10.00 H new ATOM 0 HD23 LEU A 11 11.371 7.244 -1.336 1.00 10.00 H new ATOM 170 N THR A 12 7.691 6.248 -4.816 1.00 10.00 N ATOM 171 CA THR A 12 6.689 5.225 -5.228 1.00 10.00 C ATOM 172 C THR A 12 7.255 4.337 -6.339 1.00 10.00 C ATOM 173 O THR A 12 7.590 3.189 -6.121 1.00 10.00 O ATOM 174 CB THR A 12 5.492 6.027 -5.740 1.00 10.00 C ATOM 175 OG1 THR A 12 5.077 6.947 -4.738 1.00 10.00 O ATOM 176 CG2 THR A 12 4.340 5.076 -6.068 1.00 10.00 C ATOM 0 H THR A 12 7.369 7.215 -4.863 1.00 10.00 H new ATOM 0 HA THR A 12 6.417 4.563 -4.406 1.00 10.00 H new ATOM 0 HB THR A 12 5.778 6.572 -6.640 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.311 7.463 -5.065 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.488 5.649 -6.433 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.658 4.370 -6.836 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.052 4.530 -5.170 1.00 10.00 H new ATOM 184 N GLU A 13 7.357 4.860 -7.526 1.00 10.00 N ATOM 185 CA GLU A 13 7.894 4.056 -8.664 1.00 10.00 C ATOM 186 C GLU A 13 9.056 3.172 -8.196 1.00 10.00 C ATOM 187 O GLU A 13 9.119 1.999 -8.507 1.00 10.00 O ATOM 188 CB GLU A 13 8.368 5.096 -9.685 1.00 10.00 C ATOM 189 CG GLU A 13 9.713 4.672 -10.285 1.00 10.00 C ATOM 190 CD GLU A 13 10.197 5.748 -11.260 1.00 10.00 C ATOM 191 OE1 GLU A 13 9.383 6.561 -11.666 1.00 10.00 O ATOM 192 OE2 GLU A 13 11.373 5.740 -11.583 1.00 10.00 O ATOM 0 H GLU A 13 7.091 5.816 -7.762 1.00 10.00 H new ATOM 0 HA GLU A 13 7.149 3.382 -9.086 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.626 5.204 -10.476 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.466 6.070 -9.205 1.00 10.00 H new ATOM 0 HG2 GLU A 13 10.447 4.527 -9.493 1.00 10.00 H new ATOM 0 HG3 GLU A 13 9.609 3.718 -10.802 1.00 10.00 H new ATOM 199 N LEU A 14 9.980 3.724 -7.458 1.00 10.00 N ATOM 200 CA LEU A 14 11.135 2.909 -6.982 1.00 10.00 C ATOM 201 C LEU A 14 10.643 1.711 -6.163 1.00 10.00 C ATOM 202 O LEU A 14 10.789 0.574 -6.562 1.00 10.00 O ATOM 203 CB LEU A 14 11.959 3.856 -6.110 1.00 10.00 C ATOM 204 CG LEU A 14 13.318 3.221 -5.811 1.00 10.00 C ATOM 205 CD1 LEU A 14 14.305 3.586 -6.921 1.00 10.00 C ATOM 206 CD2 LEU A 14 13.840 3.746 -4.472 1.00 10.00 C ATOM 0 H LEU A 14 9.986 4.701 -7.165 1.00 10.00 H new ATOM 0 HA LEU A 14 11.720 2.505 -7.808 1.00 10.00 H new ATOM 0 HB2 LEU A 14 12.096 4.810 -6.619 1.00 10.00 H new ATOM 0 HB3 LEU A 14 11.430 4.064 -5.180 1.00 10.00 H new ATOM 0 HG LEU A 14 13.212 2.137 -5.761 1.00 10.00 H new ATOM 0 HD11 LEU A 14 15.274 3.134 -6.709 1.00 10.00 H new ATOM 0 HD12 LEU A 14 13.932 3.215 -7.876 1.00 10.00 H new ATOM 0 HD13 LEU A 14 14.413 4.670 -6.970 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.809 3.295 -4.257 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.948 4.829 -4.523 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.136 3.488 -3.681 1.00 10.00 H new ATOM 218 N LEU A 15 10.062 1.956 -5.020 1.00 10.00 N ATOM 219 CA LEU A 15 9.566 0.827 -4.181 1.00 10.00 C ATOM 220 C LEU A 15 8.807 -0.180 -5.047 1.00 10.00 C ATOM 221 O LEU A 15 9.117 -1.355 -5.060 1.00 10.00 O ATOM 222 CB LEU A 15 8.632 1.472 -3.157 1.00 10.00 C ATOM 223 CG LEU A 15 9.324 1.517 -1.795 1.00 10.00 C ATOM 224 CD1 LEU A 15 10.582 2.383 -1.891 1.00 10.00 C ATOM 225 CD2 LEU A 15 8.372 2.115 -0.757 1.00 10.00 C ATOM 0 H LEU A 15 9.909 2.887 -4.631 1.00 10.00 H new ATOM 0 HA LEU A 15 10.378 0.281 -3.700 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.366 2.480 -3.475 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.704 0.905 -3.087 1.00 10.00 H new ATOM 0 HG LEU A 15 9.600 0.506 -1.495 1.00 10.00 H new ATOM 0 HD11 LEU A 15 11.076 2.416 -0.920 1.00 10.00 H new ATOM 0 HD12 LEU A 15 11.261 1.957 -2.630 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.306 3.394 -2.192 1.00 10.00 H new ATOM 0 HD21 LEU A 15 8.866 2.147 0.214 1.00 10.00 H new ATOM 0 HD22 LEU A 15 8.095 3.126 -1.057 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.475 1.499 -0.688 1.00 10.00 H new ATOM 237 N GLN A 16 7.819 0.268 -5.774 1.00 10.00 N ATOM 238 CA GLN A 16 7.050 -0.668 -6.642 1.00 10.00 C ATOM 239 C GLN A 16 8.004 -1.658 -7.309 1.00 10.00 C ATOM 240 O GLN A 16 7.858 -2.858 -7.185 1.00 10.00 O ATOM 241 CB GLN A 16 6.387 0.224 -7.690 1.00 10.00 C ATOM 242 CG GLN A 16 4.881 0.306 -7.424 1.00 10.00 C ATOM 243 CD GLN A 16 4.624 0.411 -5.919 1.00 10.00 C ATOM 244 OE1 GLN A 16 5.425 0.962 -5.190 1.00 10.00 O ATOM 245 NE2 GLN A 16 3.531 -0.099 -5.420 1.00 10.00 N ATOM 0 H GLN A 16 7.512 1.240 -5.804 1.00 10.00 H new ATOM 0 HA GLN A 16 6.319 -1.252 -6.083 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.825 1.222 -7.662 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.568 -0.175 -8.688 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.459 1.171 -7.935 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.383 -0.576 -7.826 1.00 10.00 H new ATOM 0 HE21 GLN A 16 2.858 -0.562 -6.032 1.00 10.00 H new ATOM 0 HE22 GLN A 16 3.349 -0.035 -4.418 1.00 10.00 H new ATOM 254 N GLY A 17 8.987 -1.163 -8.011 1.00 10.00 N ATOM 255 CA GLY A 17 9.952 -2.078 -8.676 1.00 10.00 C ATOM 256 C GLY A 17 10.365 -3.168 -7.688 1.00 10.00 C ATOM 257 O GLY A 17 10.203 -4.343 -7.945 1.00 10.00 O ATOM 0 H GLY A 17 9.162 -0.168 -8.151 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.499 -2.524 -9.561 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.828 -1.522 -9.012 1.00 10.00 H new ATOM 261 N TYR A 18 10.892 -2.785 -6.555 1.00 10.00 N ATOM 262 CA TYR A 18 11.312 -3.797 -5.545 1.00 10.00 C ATOM 263 C TYR A 18 10.319 -4.960 -5.515 1.00 10.00 C ATOM 264 O TYR A 18 10.654 -6.083 -5.835 1.00 10.00 O ATOM 265 CB TYR A 18 11.306 -3.056 -4.210 1.00 10.00 C ATOM 266 CG TYR A 18 12.432 -3.579 -3.357 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.706 -3.736 -3.912 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.203 -3.917 -2.018 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.755 -4.229 -3.129 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.252 -4.413 -1.233 1.00 10.00 C ATOM 271 CZ TYR A 18 14.528 -4.568 -1.789 1.00 10.00 C ATOM 272 OH TYR A 18 15.560 -5.060 -1.019 1.00 10.00 O ATOM 0 H TYR A 18 11.049 -1.814 -6.286 1.00 10.00 H new ATOM 0 HA TYR A 18 12.291 -4.220 -5.771 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.423 -1.985 -4.373 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.351 -3.199 -3.704 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.880 -3.476 -4.946 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.219 -3.796 -1.591 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.739 -4.348 -3.557 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.077 -4.676 -0.200 1.00 10.00 H new ATOM 0 HH TYR A 18 15.490 -6.036 -0.963 1.00 10.00 H new ATOM 282 N THR A 19 9.096 -4.700 -5.140 1.00 10.00 N ATOM 283 CA THR A 19 8.088 -5.796 -5.099 1.00 10.00 C ATOM 284 C THR A 19 8.071 -6.521 -6.447 1.00 10.00 C ATOM 285 O THR A 19 7.847 -7.712 -6.523 1.00 10.00 O ATOM 286 CB THR A 19 6.750 -5.094 -4.827 1.00 10.00 C ATOM 287 OG1 THR A 19 6.324 -5.397 -3.505 1.00 10.00 O ATOM 288 CG2 THR A 19 5.690 -5.566 -5.827 1.00 10.00 C ATOM 0 H THR A 19 8.753 -3.781 -4.862 1.00 10.00 H new ATOM 0 HA THR A 19 8.303 -6.546 -4.337 1.00 10.00 H new ATOM 0 HB THR A 19 6.882 -4.018 -4.937 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.471 -4.950 -3.326 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.746 -5.060 -5.623 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.016 -5.331 -6.840 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.553 -6.643 -5.731 1.00 10.00 H new ATOM 296 N VAL A 20 8.314 -5.804 -7.509 1.00 10.00 N ATOM 297 CA VAL A 20 8.319 -6.443 -8.854 1.00 10.00 C ATOM 298 C VAL A 20 9.605 -7.249 -9.054 1.00 10.00 C ATOM 299 O VAL A 20 9.655 -8.165 -9.850 1.00 10.00 O ATOM 300 CB VAL A 20 8.258 -5.279 -9.841 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.172 -5.825 -11.267 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.022 -4.426 -9.546 1.00 10.00 C ATOM 0 H VAL A 20 8.509 -4.803 -7.503 1.00 10.00 H new ATOM 0 HA VAL A 20 7.488 -7.136 -8.986 1.00 10.00 H new ATOM 0 HB VAL A 20 9.155 -4.668 -9.739 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.128 -4.995 -11.972 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.051 -6.434 -11.477 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.275 -6.436 -11.369 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.977 -3.595 -10.250 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.125 -5.037 -9.649 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.082 -4.038 -8.529 1.00 10.00 H new ATOM 312 N GLU A 21 10.646 -6.921 -8.340 1.00 10.00 N ATOM 313 CA GLU A 21 11.923 -7.680 -8.501 1.00 10.00 C ATOM 314 C GLU A 21 11.991 -8.796 -7.463 1.00 10.00 C ATOM 315 O GLU A 21 12.055 -9.965 -7.788 1.00 10.00 O ATOM 316 CB GLU A 21 13.053 -6.674 -8.259 1.00 10.00 C ATOM 317 CG GLU A 21 12.521 -5.254 -8.407 1.00 10.00 C ATOM 318 CD GLU A 21 13.646 -4.330 -8.876 1.00 10.00 C ATOM 319 OE1 GLU A 21 13.849 -4.240 -10.076 1.00 10.00 O ATOM 320 OE2 GLU A 21 14.285 -3.729 -8.029 1.00 10.00 O ATOM 0 H GLU A 21 10.671 -6.165 -7.655 1.00 10.00 H new ATOM 0 HA GLU A 21 11.999 -8.133 -9.490 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.469 -6.814 -7.261 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.862 -6.845 -8.969 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.699 -5.236 -9.123 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.122 -4.903 -7.455 1.00 10.00 H new ATOM 327 N VAL A 22 11.978 -8.436 -6.211 1.00 10.00 N ATOM 328 CA VAL A 22 12.043 -9.460 -5.132 1.00 10.00 C ATOM 329 C VAL A 22 11.043 -10.588 -5.407 1.00 10.00 C ATOM 330 O VAL A 22 11.283 -11.734 -5.079 1.00 10.00 O ATOM 331 CB VAL A 22 11.669 -8.707 -3.855 1.00 10.00 C ATOM 332 CG1 VAL A 22 12.011 -9.564 -2.641 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.458 -7.397 -3.785 1.00 10.00 C ATOM 0 H VAL A 22 11.925 -7.470 -5.887 1.00 10.00 H new ATOM 0 HA VAL A 22 13.027 -9.924 -5.060 1.00 10.00 H new ATOM 0 HB VAL A 22 10.601 -8.491 -3.862 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.745 -9.028 -1.730 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.454 -10.500 -2.687 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.080 -9.778 -2.636 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.192 -6.860 -2.875 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.526 -7.615 -3.778 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.219 -6.782 -4.652 1.00 10.00 H new ATOM 343 N LEU A 23A 9.925 -10.275 -6.004 1.00 10.00 N ATOM 344 CA LEU A 23A 8.916 -11.334 -6.295 1.00 10.00 C ATOM 345 C LEU A 23A 9.224 -12.009 -7.634 1.00 10.00 C ATOM 346 O LEU A 23A 9.096 -13.209 -7.779 1.00 10.00 O ATOM 347 CB LEU A 23A 7.576 -10.602 -6.361 1.00 10.00 C ATOM 348 CG LEU A 23A 7.140 -10.206 -4.949 1.00 10.00 C ATOM 349 CD1 LEU A 23A 6.074 -9.113 -5.032 1.00 10.00 C ATOM 350 CD2 LEU A 23A 6.561 -11.428 -4.233 1.00 10.00 C ATOM 0 H LEU A 23A 9.667 -9.334 -6.302 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.915 -12.118 -5.538 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.665 -9.715 -6.988 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 6.822 -11.242 -6.820 1.00 10.00 H new ATOM 0 HG LEU A 23A 8.001 -9.833 -4.394 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.763 -8.831 -4.026 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 6.485 -8.242 -5.543 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 5.213 -9.486 -5.587 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 6.250 -11.147 -3.227 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 5.700 -11.801 -4.788 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 7.320 -12.208 -4.173 1.00 10.00 H new ATOM 362 N ARG A 24 9.626 -11.250 -8.617 1.00 10.00 N ATOM 363 CA ARG A 24 9.936 -11.855 -9.945 1.00 10.00 C ATOM 364 C ARG A 24 11.380 -12.365 -9.977 1.00 10.00 C ATOM 365 O ARG A 24 11.916 -12.668 -11.024 1.00 10.00 O ATOM 366 CB ARG A 24 9.743 -10.720 -10.949 1.00 10.00 C ATOM 367 CG ARG A 24 9.070 -11.257 -12.213 1.00 10.00 C ATOM 368 CD ARG A 24 7.753 -10.513 -12.441 1.00 10.00 C ATOM 369 NE ARG A 24 7.839 -9.993 -13.834 1.00 10.00 N ATOM 370 CZ ARG A 24 6.983 -9.098 -14.248 1.00 10.00 C ATOM 371 NH1 ARG A 24 7.178 -7.837 -13.978 1.00 10.00 N ATOM 372 NH2 ARG A 24 5.934 -9.466 -14.929 1.00 10.00 N ATOM 0 H ARG A 24 9.753 -10.240 -8.559 1.00 10.00 H new ATOM 0 HA ARG A 24 9.298 -12.710 -10.167 1.00 10.00 H new ATOM 0 HB2 ARG A 24 9.133 -9.932 -10.508 1.00 10.00 H new ATOM 0 HB3 ARG A 24 10.706 -10.276 -11.199 1.00 10.00 H new ATOM 0 HG2 ARG A 24 9.728 -11.127 -13.072 1.00 10.00 H new ATOM 0 HG3 ARG A 24 8.884 -12.326 -12.113 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.898 -11.178 -12.320 1.00 10.00 H new ATOM 0 HD3 ARG A 24 7.629 -9.701 -11.724 1.00 10.00 H new ATOM 0 HE ARG A 24 8.565 -10.335 -14.463 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.999 -7.551 -13.444 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.510 -7.137 -14.301 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.782 -10.453 -15.138 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.265 -8.767 -15.253 1.00 10.00 H new ATOM 386 N GLN A 25 12.015 -12.467 -8.839 1.00 10.00 N ATOM 387 CA GLN A 25 13.421 -12.962 -8.816 1.00 10.00 C ATOM 388 C GLN A 25 13.834 -13.348 -7.391 1.00 10.00 C ATOM 389 O GLN A 25 15.006 -13.417 -7.081 1.00 10.00 O ATOM 390 CB GLN A 25 14.266 -11.790 -9.330 1.00 10.00 C ATOM 391 CG GLN A 25 14.779 -10.958 -8.152 1.00 10.00 C ATOM 392 CD GLN A 25 15.372 -9.648 -8.671 1.00 10.00 C ATOM 393 OE1 GLN A 25 14.791 -8.596 -8.501 1.00 10.00 O ATOM 394 NE2 GLN A 25 16.515 -9.668 -9.301 1.00 10.00 N ATOM 0 H GLN A 25 11.622 -12.230 -7.928 1.00 10.00 H new ATOM 0 HA GLN A 25 13.551 -13.855 -9.428 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.106 -12.165 -9.914 1.00 10.00 H new ATOM 0 HB3 GLN A 25 13.670 -11.165 -9.995 1.00 10.00 H new ATOM 0 HG2 GLN A 25 13.965 -10.751 -7.458 1.00 10.00 H new ATOM 0 HG3 GLN A 25 15.534 -11.517 -7.600 1.00 10.00 H new ATOM 0 HE21 GLN A 25 17.003 -10.552 -9.444 1.00 10.00 H new ATOM 0 HE22 GLN A 25 16.920 -8.800 -9.650 1.00 10.00 H new ATOM 403 N GLN A 26 12.880 -13.601 -6.528 1.00 10.00 N ATOM 404 CA GLN A 26 13.205 -13.985 -5.116 1.00 10.00 C ATOM 405 C GLN A 26 14.719 -14.104 -4.911 1.00 10.00 C ATOM 406 O GLN A 26 15.294 -15.155 -5.116 1.00 10.00 O ATOM 407 CB GLN A 26 12.532 -15.344 -4.915 1.00 10.00 C ATOM 408 CG GLN A 26 11.339 -15.188 -3.971 1.00 10.00 C ATOM 409 CD GLN A 26 11.443 -16.210 -2.839 1.00 10.00 C ATOM 410 OE1 GLN A 26 12.494 -16.777 -2.613 1.00 10.00 O ATOM 411 NE2 GLN A 26 10.392 -16.472 -2.112 1.00 10.00 N ATOM 0 H GLN A 26 11.884 -13.558 -6.742 1.00 10.00 H new ATOM 0 HA GLN A 26 12.856 -13.238 -4.403 1.00 10.00 H new ATOM 0 HB2 GLN A 26 12.201 -15.743 -5.874 1.00 10.00 H new ATOM 0 HB3 GLN A 26 13.245 -16.057 -4.502 1.00 10.00 H new ATOM 0 HG2 GLN A 26 11.316 -14.178 -3.562 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.408 -15.331 -4.519 1.00 10.00 H new ATOM 0 HE21 GLN A 26 9.510 -15.997 -2.301 1.00 10.00 H new ATOM 0 HE22 GLN A 26 10.453 -17.152 -1.354 1.00 10.00 H new ATOM 420 N PRO A 27 15.313 -13.010 -4.516 1.00 10.00 N ATOM 421 CA PRO A 27 16.777 -12.976 -4.281 1.00 10.00 C ATOM 422 C PRO A 27 17.152 -13.816 -3.056 1.00 10.00 C ATOM 423 O PRO A 27 16.294 -14.254 -2.316 1.00 10.00 O ATOM 424 CB PRO A 27 17.066 -11.495 -4.039 1.00 10.00 C ATOM 425 CG PRO A 27 15.769 -10.929 -3.564 1.00 10.00 C ATOM 426 CD PRO A 27 14.685 -11.714 -4.250 1.00 10.00 C ATOM 0 HA PRO A 27 17.351 -13.389 -5.111 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.852 -11.361 -3.296 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.402 -11.003 -4.952 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.683 -11.013 -2.481 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.695 -9.869 -3.809 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.804 -11.818 -3.617 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.361 -11.229 -5.171 1.00 10.00 H new ATOM 434 N PRO A 28 18.431 -14.009 -2.889 1.00 10.00 N ATOM 435 CA PRO A 28 18.942 -14.802 -1.744 1.00 10.00 C ATOM 436 C PRO A 28 18.718 -14.053 -0.428 1.00 10.00 C ATOM 437 O PRO A 28 18.476 -14.647 0.602 1.00 10.00 O ATOM 438 CB PRO A 28 20.433 -14.947 -2.045 1.00 10.00 C ATOM 439 CG PRO A 28 20.755 -13.787 -2.930 1.00 10.00 C ATOM 440 CD PRO A 28 19.516 -13.510 -3.737 1.00 10.00 C ATOM 0 HA PRO A 28 18.440 -15.763 -1.631 1.00 10.00 H new ATOM 0 HB2 PRO A 28 21.026 -14.924 -1.131 1.00 10.00 H new ATOM 0 HB3 PRO A 28 20.647 -15.894 -2.540 1.00 10.00 H new ATOM 0 HG2 PRO A 28 21.037 -12.915 -2.340 1.00 10.00 H new ATOM 0 HG3 PRO A 28 21.599 -14.018 -3.581 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.404 -12.446 -3.946 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.541 -14.023 -4.698 1.00 10.00 H new ATOM 448 N ASP A 29 18.795 -12.751 -0.459 1.00 10.00 N ATOM 449 CA ASP A 29 18.585 -11.958 0.786 1.00 10.00 C ATOM 450 C ASP A 29 17.818 -10.674 0.461 1.00 10.00 C ATOM 451 O ASP A 29 17.919 -10.145 -0.624 1.00 10.00 O ATOM 452 CB ASP A 29 19.991 -11.634 1.291 1.00 10.00 C ATOM 453 CG ASP A 29 20.228 -12.334 2.631 1.00 10.00 C ATOM 454 OD1 ASP A 29 19.266 -12.516 3.358 1.00 10.00 O ATOM 455 OD2 ASP A 29 21.367 -12.674 2.906 1.00 10.00 O ATOM 0 H ASP A 29 18.995 -12.201 -1.294 1.00 10.00 H new ATOM 0 HA ASP A 29 18.003 -12.498 1.532 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.734 -11.959 0.563 1.00 10.00 H new ATOM 0 HB3 ASP A 29 20.108 -10.556 1.406 1.00 10.00 H new ATOM 460 N LEU A 30 17.051 -10.171 1.388 1.00 10.00 N ATOM 461 CA LEU A 30 16.281 -8.923 1.117 1.00 10.00 C ATOM 462 C LEU A 30 17.102 -7.695 1.520 1.00 10.00 C ATOM 463 O LEU A 30 17.559 -6.945 0.680 1.00 10.00 O ATOM 464 CB LEU A 30 15.022 -9.041 1.977 1.00 10.00 C ATOM 465 CG LEU A 30 13.966 -8.050 1.486 1.00 10.00 C ATOM 466 CD1 LEU A 30 14.470 -6.622 1.695 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.701 -8.284 -0.003 1.00 10.00 C ATOM 0 H LEU A 30 16.924 -10.568 2.319 1.00 10.00 H new ATOM 0 HA LEU A 30 16.041 -8.805 0.060 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.631 -10.057 1.928 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.263 -8.842 3.021 1.00 10.00 H new ATOM 0 HG LEU A 30 13.043 -8.195 2.047 1.00 10.00 H new ATOM 0 HD11 LEU A 30 13.717 -5.916 1.345 1.00 10.00 H new ATOM 0 HD12 LEU A 30 14.660 -6.455 2.755 1.00 10.00 H new ATOM 0 HD13 LEU A 30 15.393 -6.476 1.134 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.948 -7.578 -0.354 1.00 10.00 H new ATOM 0 HD22 LEU A 30 14.624 -8.139 -0.564 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.341 -9.302 -0.153 1.00 10.00 H new ATOM 479 N VAL A 31 17.292 -7.485 2.795 1.00 10.00 N ATOM 480 CA VAL A 31 18.089 -6.306 3.250 1.00 10.00 C ATOM 481 C VAL A 31 19.217 -6.029 2.262 1.00 10.00 C ATOM 482 O VAL A 31 19.250 -5.012 1.598 1.00 10.00 O ATOM 483 CB VAL A 31 18.673 -6.720 4.598 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.307 -5.503 5.276 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.558 -7.274 5.485 1.00 10.00 C ATOM 0 H VAL A 31 16.930 -8.078 3.542 1.00 10.00 H new ATOM 0 HA VAL A 31 17.483 -5.402 3.321 1.00 10.00 H new ATOM 0 HB VAL A 31 19.433 -7.487 4.446 1.00 10.00 H new ATOM 0 HG11 VAL A 31 19.724 -5.799 6.239 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.101 -5.106 4.643 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.548 -4.736 5.430 1.00 10.00 H new ATOM 0 HG21 VAL A 31 17.973 -7.570 6.448 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.799 -6.507 5.637 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.106 -8.141 5.003 1.00 10.00 H new ATOM 495 N ASP A 32 20.140 -6.939 2.161 1.00 10.00 N ATOM 496 CA ASP A 32 21.274 -6.755 1.220 1.00 10.00 C ATOM 497 C ASP A 32 20.744 -6.462 -0.187 1.00 10.00 C ATOM 498 O ASP A 32 21.292 -5.656 -0.911 1.00 10.00 O ATOM 499 CB ASP A 32 22.017 -8.088 1.259 1.00 10.00 C ATOM 500 CG ASP A 32 23.519 -7.838 1.131 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.966 -6.795 1.579 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.198 -8.694 0.587 1.00 10.00 O ATOM 0 H ASP A 32 20.158 -7.809 2.694 1.00 10.00 H new ATOM 0 HA ASP A 32 21.920 -5.919 1.489 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.802 -8.609 2.192 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.674 -8.731 0.449 1.00 10.00 H new ATOM 507 N PHE A 33 19.675 -7.105 -0.578 1.00 10.00 N ATOM 508 CA PHE A 33 19.110 -6.853 -1.935 1.00 10.00 C ATOM 509 C PHE A 33 18.628 -5.406 -2.035 1.00 10.00 C ATOM 510 O PHE A 33 18.785 -4.756 -3.050 1.00 10.00 O ATOM 511 CB PHE A 33 17.938 -7.823 -2.069 1.00 10.00 C ATOM 512 CG PHE A 33 17.319 -7.682 -3.440 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.890 -8.343 -4.535 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.176 -6.894 -3.616 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.317 -8.216 -5.806 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.602 -6.767 -4.888 1.00 10.00 C ATOM 517 CZ PHE A 33 16.173 -7.429 -5.982 1.00 10.00 C ATOM 0 H PHE A 33 19.170 -7.792 -0.018 1.00 10.00 H new ATOM 0 HA PHE A 33 19.845 -7.002 -2.726 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.281 -8.847 -1.917 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.193 -7.618 -1.300 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.772 -8.951 -4.399 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.736 -6.384 -2.772 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.758 -8.725 -6.650 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.720 -6.159 -5.025 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.730 -7.332 -6.962 1.00 10.00 H new ATOM 527 N ALA A 34 18.046 -4.896 -0.984 1.00 10.00 N ATOM 528 CA ALA A 34 17.559 -3.489 -1.011 1.00 10.00 C ATOM 529 C ALA A 34 18.745 -2.532 -1.136 1.00 10.00 C ATOM 530 O ALA A 34 18.612 -1.416 -1.597 1.00 10.00 O ATOM 531 CB ALA A 34 16.851 -3.293 0.332 1.00 10.00 C ATOM 0 H ALA A 34 17.887 -5.394 -0.108 1.00 10.00 H new ATOM 0 HA ALA A 34 16.896 -3.291 -1.853 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.461 -2.277 0.393 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.028 -4.003 0.417 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.559 -3.459 1.144 1.00 10.00 H new ATOM 537 N VAL A 35 19.906 -2.964 -0.728 1.00 10.00 N ATOM 538 CA VAL A 35 21.104 -2.095 -0.815 1.00 10.00 C ATOM 539 C VAL A 35 21.800 -2.288 -2.166 1.00 10.00 C ATOM 540 O VAL A 35 22.091 -1.339 -2.866 1.00 10.00 O ATOM 541 CB VAL A 35 21.986 -2.578 0.331 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.441 -2.243 0.032 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.559 -1.889 1.624 1.00 10.00 C ATOM 0 H VAL A 35 20.073 -3.890 -0.335 1.00 10.00 H new ATOM 0 HA VAL A 35 20.872 -1.033 -0.741 1.00 10.00 H new ATOM 0 HB VAL A 35 21.880 -3.657 0.441 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.070 -2.589 0.852 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.745 -2.736 -0.891 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.551 -1.164 -0.079 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.188 -2.233 2.445 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.665 -0.810 1.513 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.518 -2.131 1.839 1.00 10.00 H new ATOM 553 N GLU A 36 22.064 -3.510 -2.538 1.00 10.00 N ATOM 554 CA GLU A 36 22.739 -3.761 -3.843 1.00 10.00 C ATOM 555 C GLU A 36 21.913 -3.152 -4.982 1.00 10.00 C ATOM 556 O GLU A 36 22.446 -2.659 -5.956 1.00 10.00 O ATOM 557 CB GLU A 36 22.810 -5.289 -3.958 1.00 10.00 C ATOM 558 CG GLU A 36 22.337 -5.739 -5.342 1.00 10.00 C ATOM 559 CD GLU A 36 22.915 -7.121 -5.655 1.00 10.00 C ATOM 560 OE1 GLU A 36 23.781 -7.560 -4.915 1.00 10.00 O ATOM 561 OE2 GLU A 36 22.482 -7.717 -6.627 1.00 10.00 O ATOM 0 H GLU A 36 21.842 -4.345 -1.996 1.00 10.00 H new ATOM 0 HA GLU A 36 23.729 -3.310 -3.903 1.00 10.00 H new ATOM 0 HB2 GLU A 36 23.832 -5.626 -3.788 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.191 -5.748 -3.187 1.00 10.00 H new ATOM 0 HG2 GLU A 36 21.248 -5.773 -5.372 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.655 -5.021 -6.098 1.00 10.00 H new ATOM 568 N TYR A 37 20.614 -3.181 -4.863 1.00 10.00 N ATOM 569 CA TYR A 37 19.755 -2.603 -5.935 1.00 10.00 C ATOM 570 C TYR A 37 19.807 -1.073 -5.889 1.00 10.00 C ATOM 571 O TYR A 37 20.177 -0.426 -6.849 1.00 10.00 O ATOM 572 CB TYR A 37 18.343 -3.098 -5.621 1.00 10.00 C ATOM 573 CG TYR A 37 17.375 -2.519 -6.623 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.662 -2.585 -7.993 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.190 -1.916 -6.185 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.764 -2.046 -8.923 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.292 -1.378 -7.114 1.00 10.00 C ATOM 578 CZ TYR A 37 15.579 -1.444 -8.484 1.00 10.00 C ATOM 579 OH TYR A 37 14.693 -0.914 -9.401 1.00 10.00 O ATOM 0 H TYR A 37 20.111 -3.580 -4.070 1.00 10.00 H new ATOM 0 HA TYR A 37 20.082 -2.903 -6.931 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.311 -4.187 -5.656 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.058 -2.803 -4.611 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.575 -3.051 -8.332 1.00 10.00 H new ATOM 0 HD2 TYR A 37 15.968 -1.866 -5.129 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.986 -2.095 -9.979 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.378 -0.912 -6.775 1.00 10.00 H new ATOM 0 HH TYR A 37 13.922 -0.535 -8.930 1.00 10.00 H new ATOM 589 N PHE A 38 19.438 -0.488 -4.783 1.00 10.00 N ATOM 590 CA PHE A 38 19.466 1.000 -4.682 1.00 10.00 C ATOM 591 C PHE A 38 20.907 1.512 -4.773 1.00 10.00 C ATOM 592 O PHE A 38 21.184 2.497 -5.428 1.00 10.00 O ATOM 593 CB PHE A 38 18.865 1.319 -3.312 1.00 10.00 C ATOM 594 CG PHE A 38 17.420 0.880 -3.277 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.630 0.971 -4.430 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.869 0.382 -2.089 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.291 0.563 -4.396 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.529 -0.026 -2.056 1.00 10.00 C ATOM 599 CZ PHE A 38 14.741 0.065 -3.209 1.00 10.00 C ATOM 0 H PHE A 38 19.119 -0.974 -3.945 1.00 10.00 H new ATOM 0 HA PHE A 38 18.910 1.478 -5.489 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.429 0.811 -2.529 1.00 10.00 H new ATOM 0 HB3 PHE A 38 18.935 2.388 -3.113 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.054 1.356 -5.346 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.477 0.313 -1.199 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.683 0.633 -5.286 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.104 -0.411 -1.141 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.708 -0.249 -3.183 1.00 10.00 H new ATOM 609 N THR A 39 21.830 0.852 -4.124 1.00 10.00 N ATOM 610 CA THR A 39 23.249 1.309 -4.183 1.00 10.00 C ATOM 611 C THR A 39 23.685 1.480 -5.639 1.00 10.00 C ATOM 612 O THR A 39 24.351 2.434 -5.990 1.00 10.00 O ATOM 613 CB THR A 39 24.057 0.203 -3.500 1.00 10.00 C ATOM 614 OG1 THR A 39 23.688 0.121 -2.130 1.00 10.00 O ATOM 615 CG2 THR A 39 25.549 0.519 -3.608 1.00 10.00 C ATOM 0 H THR A 39 21.663 0.020 -3.558 1.00 10.00 H new ATOM 0 HA THR A 39 23.394 2.272 -3.693 1.00 10.00 H new ATOM 0 HB THR A 39 23.851 -0.749 -3.989 1.00 10.00 H new ATOM 0 HG1 THR A 39 22.789 -0.262 -2.056 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.124 -0.269 -3.121 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.833 0.579 -4.659 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.755 1.472 -3.121 1.00 10.00 H new ATOM 623 N ARG A 40 23.310 0.567 -6.492 1.00 10.00 N ATOM 624 CA ARG A 40 23.699 0.685 -7.925 1.00 10.00 C ATOM 625 C ARG A 40 22.909 1.816 -8.587 1.00 10.00 C ATOM 626 O ARG A 40 23.429 2.567 -9.386 1.00 10.00 O ATOM 627 CB ARG A 40 23.333 -0.662 -8.548 1.00 10.00 C ATOM 628 CG ARG A 40 24.365 -1.713 -8.136 1.00 10.00 C ATOM 629 CD ARG A 40 24.414 -2.823 -9.189 1.00 10.00 C ATOM 630 NE ARG A 40 22.991 -3.078 -9.546 1.00 10.00 N ATOM 631 CZ ARG A 40 22.648 -3.224 -10.797 1.00 10.00 C ATOM 632 NH1 ARG A 40 23.040 -4.276 -11.461 1.00 10.00 N ATOM 633 NH2 ARG A 40 21.915 -2.317 -11.384 1.00 10.00 N ATOM 0 H ARG A 40 22.752 -0.254 -6.259 1.00 10.00 H new ATOM 0 HA ARG A 40 24.757 0.915 -8.052 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.338 -0.967 -8.223 1.00 10.00 H new ATOM 0 HB3 ARG A 40 23.300 -0.575 -9.634 1.00 10.00 H new ATOM 0 HG2 ARG A 40 25.347 -1.252 -8.033 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.105 -2.131 -7.164 1.00 10.00 H new ATOM 0 HD2 ARG A 40 24.991 -2.515 -10.061 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.889 -3.721 -8.794 1.00 10.00 H new ATOM 0 HE ARG A 40 22.284 -3.139 -8.813 1.00 10.00 H new ATOM 0 HH11 ARG A 40 23.614 -4.984 -11.003 1.00 10.00 H new ATOM 0 HH12 ARG A 40 22.772 -4.391 -12.439 1.00 10.00 H new ATOM 0 HH21 ARG A 40 21.610 -1.494 -10.865 1.00 10.00 H new ATOM 0 HH22 ARG A 40 21.647 -2.432 -12.362 1.00 10.00 H new ATOM 647 N LEU A 41 21.652 1.944 -8.253 1.00 10.00 N ATOM 648 CA LEU A 41 20.826 3.028 -8.858 1.00 10.00 C ATOM 649 C LEU A 41 21.559 4.368 -8.754 1.00 10.00 C ATOM 650 O LEU A 41 21.594 5.141 -9.690 1.00 10.00 O ATOM 651 CB LEU A 41 19.541 3.052 -8.030 1.00 10.00 C ATOM 652 CG LEU A 41 18.334 2.878 -8.954 1.00 10.00 C ATOM 653 CD1 LEU A 41 18.348 3.969 -10.025 1.00 10.00 C ATOM 654 CD2 LEU A 41 18.400 1.505 -9.625 1.00 10.00 C ATOM 0 H LEU A 41 21.163 1.345 -7.588 1.00 10.00 H new ATOM 0 HA LEU A 41 20.626 2.857 -9.916 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.560 2.256 -7.286 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.464 3.994 -7.487 1.00 10.00 H new ATOM 0 HG LEU A 41 17.417 2.955 -8.370 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.488 3.844 -10.683 1.00 10.00 H new ATOM 0 HD12 LEU A 41 18.301 4.948 -9.548 1.00 10.00 H new ATOM 0 HD13 LEU A 41 19.265 3.894 -10.609 1.00 10.00 H new ATOM 0 HD21 LEU A 41 17.540 1.380 -10.283 1.00 10.00 H new ATOM 0 HD22 LEU A 41 19.318 1.429 -10.208 1.00 10.00 H new ATOM 0 HD23 LEU A 41 18.389 0.726 -8.862 1.00 10.00 H new ATOM 666 N ARG A 42 22.143 4.650 -7.623 1.00 10.00 N ATOM 667 CA ARG A 42 22.872 5.941 -7.463 1.00 10.00 C ATOM 668 C ARG A 42 23.866 6.131 -8.611 1.00 10.00 C ATOM 669 O ARG A 42 24.184 7.240 -8.994 1.00 10.00 O ATOM 670 CB ARG A 42 23.612 5.818 -6.131 1.00 10.00 C ATOM 671 CG ARG A 42 22.643 6.094 -4.977 1.00 10.00 C ATOM 672 CD ARG A 42 21.930 7.432 -5.202 1.00 10.00 C ATOM 673 NE ARG A 42 22.923 8.301 -5.896 1.00 10.00 N ATOM 674 CZ ARG A 42 23.797 8.980 -5.205 1.00 10.00 C ATOM 675 NH1 ARG A 42 23.395 9.841 -4.309 1.00 10.00 N ATOM 676 NH2 ARG A 42 25.072 8.802 -5.410 1.00 10.00 N ATOM 0 H ARG A 42 22.148 4.044 -6.803 1.00 10.00 H new ATOM 0 HA ARG A 42 22.199 6.799 -7.477 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.038 4.820 -6.031 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.442 6.523 -6.098 1.00 10.00 H new ATOM 0 HG2 ARG A 42 21.911 5.290 -4.905 1.00 10.00 H new ATOM 0 HG3 ARG A 42 23.186 6.116 -4.032 1.00 10.00 H new ATOM 0 HD2 ARG A 42 21.032 7.302 -5.807 1.00 10.00 H new ATOM 0 HD3 ARG A 42 21.616 7.873 -4.256 1.00 10.00 H new ATOM 0 HE ARG A 42 22.919 8.365 -6.914 1.00 10.00 H new ATOM 0 HH11 ARG A 42 22.398 9.983 -4.149 1.00 10.00 H new ATOM 0 HH12 ARG A 42 24.078 10.372 -3.769 1.00 10.00 H new ATOM 0 HH21 ARG A 42 25.387 8.131 -6.111 1.00 10.00 H new ATOM 0 HH22 ARG A 42 25.755 9.333 -4.869 1.00 10.00 H new ATOM 690 N GLU A 43 24.364 5.057 -9.158 1.00 10.00 N ATOM 691 CA GLU A 43 25.342 5.172 -10.277 1.00 10.00 C ATOM 692 C GLU A 43 24.631 5.562 -11.576 1.00 10.00 C ATOM 693 O GLU A 43 25.251 5.991 -12.528 1.00 10.00 O ATOM 694 CB GLU A 43 25.962 3.781 -10.403 1.00 10.00 C ATOM 695 CG GLU A 43 27.464 3.863 -10.128 1.00 10.00 C ATOM 696 CD GLU A 43 28.200 2.859 -11.017 1.00 10.00 C ATOM 697 OE1 GLU A 43 28.533 3.219 -12.133 1.00 10.00 O ATOM 698 OE2 GLU A 43 28.418 1.746 -10.565 1.00 10.00 O ATOM 0 H GLU A 43 24.136 4.103 -8.878 1.00 10.00 H new ATOM 0 HA GLU A 43 26.092 5.941 -10.088 1.00 10.00 H new ATOM 0 HB2 GLU A 43 25.490 3.096 -9.699 1.00 10.00 H new ATOM 0 HB3 GLU A 43 25.786 3.382 -11.402 1.00 10.00 H new ATOM 0 HG2 GLU A 43 27.826 4.872 -10.324 1.00 10.00 H new ATOM 0 HG3 GLU A 43 27.665 3.651 -9.078 1.00 10.00 H new ATOM 915 N LEU B 11 10.193 -7.895 5.323 1.00 10.00 N ATOM 916 CA LEU B 11 9.921 -6.984 4.174 1.00 10.00 C ATOM 917 C LEU B 11 8.939 -5.882 4.581 1.00 10.00 C ATOM 918 O LEU B 11 9.264 -4.711 4.562 1.00 10.00 O ATOM 919 CB LEU B 11 9.305 -7.885 3.103 1.00 10.00 C ATOM 920 CG LEU B 11 9.291 -7.155 1.758 1.00 10.00 C ATOM 921 CD1 LEU B 11 8.209 -6.074 1.773 1.00 10.00 C ATOM 922 CD2 LEU B 11 10.656 -6.507 1.512 1.00 10.00 C ATOM 0 HA LEU B 11 10.822 -6.482 3.823 1.00 10.00 H new ATOM 0 HB2 LEU B 11 9.876 -8.809 3.020 1.00 10.00 H new ATOM 0 HB3 LEU B 11 8.290 -8.162 3.387 1.00 10.00 H new ATOM 0 HG LEU B 11 9.080 -7.869 0.962 1.00 10.00 H new ATOM 0 HD11 LEU B 11 8.200 -5.555 0.815 1.00 10.00 H new ATOM 0 HD12 LEU B 11 7.236 -6.535 1.945 1.00 10.00 H new ATOM 0 HD13 LEU B 11 8.418 -5.361 2.570 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.645 -5.987 0.554 1.00 10.00 H new ATOM 0 HD22 LEU B 11 10.869 -5.794 2.309 1.00 10.00 H new ATOM 0 HD23 LEU B 11 11.427 -7.277 1.498 1.00 10.00 H new ATOM 934 N THR B 12 7.741 -6.246 4.945 1.00 10.00 N ATOM 935 CA THR B 12 6.738 -5.218 5.348 1.00 10.00 C ATOM 936 C THR B 12 7.306 -4.317 6.448 1.00 10.00 C ATOM 937 O THR B 12 7.641 -3.173 6.217 1.00 10.00 O ATOM 938 CB THR B 12 5.542 -6.016 5.870 1.00 10.00 C ATOM 939 OG1 THR B 12 5.118 -6.937 4.875 1.00 10.00 O ATOM 940 CG2 THR B 12 4.396 -5.059 6.202 1.00 10.00 C ATOM 0 H THR B 12 7.412 -7.211 4.981 1.00 10.00 H new ATOM 0 HA THR B 12 6.464 -4.565 4.520 1.00 10.00 H new ATOM 0 HB THR B 12 5.832 -6.560 6.769 1.00 10.00 H new ATOM 0 HG1 THR B 12 4.353 -7.450 5.209 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.544 -5.627 6.574 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.722 -4.352 6.965 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.105 -4.514 5.304 1.00 10.00 H new ATOM 948 N GLU B 13 7.409 -4.828 7.640 1.00 10.00 N ATOM 949 CA GLU B 13 7.949 -4.012 8.766 1.00 10.00 C ATOM 950 C GLU B 13 9.113 -3.135 8.288 1.00 10.00 C ATOM 951 O GLU B 13 9.177 -1.958 8.587 1.00 10.00 O ATOM 952 CB GLU B 13 8.422 -5.040 9.802 1.00 10.00 C ATOM 953 CG GLU B 13 9.770 -4.614 10.392 1.00 10.00 C ATOM 954 CD GLU B 13 10.252 -5.679 11.381 1.00 10.00 C ATOM 955 OE1 GLU B 13 9.436 -6.485 11.797 1.00 10.00 O ATOM 956 OE2 GLU B 13 11.428 -5.670 11.702 1.00 10.00 O ATOM 0 H GLU B 13 7.142 -5.781 7.887 1.00 10.00 H new ATOM 0 HA GLU B 13 7.205 -3.331 9.179 1.00 10.00 H new ATOM 0 HB2 GLU B 13 7.682 -5.133 10.597 1.00 10.00 H new ATOM 0 HB3 GLU B 13 8.514 -6.021 9.336 1.00 10.00 H new ATOM 0 HG2 GLU B 13 10.503 -4.483 9.596 1.00 10.00 H new ATOM 0 HG3 GLU B 13 9.671 -3.652 10.896 1.00 10.00 H new ATOM 963 N LEU B 14 10.035 -3.695 7.557 1.00 10.00 N ATOM 964 CA LEU B 14 11.190 -2.886 7.074 1.00 10.00 C ATOM 965 C LEU B 14 10.699 -1.699 6.240 1.00 10.00 C ATOM 966 O LEU B 14 10.853 -0.556 6.622 1.00 10.00 O ATOM 967 CB LEU B 14 12.014 -3.844 6.213 1.00 10.00 C ATOM 968 CG LEU B 14 13.371 -3.211 5.903 1.00 10.00 C ATOM 969 CD1 LEU B 14 14.359 -3.552 7.020 1.00 10.00 C ATOM 970 CD2 LEU B 14 13.895 -3.757 4.573 1.00 10.00 C ATOM 0 H LEU B 14 10.040 -4.675 7.273 1.00 10.00 H new ATOM 0 HA LEU B 14 11.774 -2.472 7.896 1.00 10.00 H new ATOM 0 HB2 LEU B 14 12.153 -4.791 6.735 1.00 10.00 H new ATOM 0 HB3 LEU B 14 11.484 -4.065 5.287 1.00 10.00 H new ATOM 0 HG LEU B 14 13.261 -2.129 5.834 1.00 10.00 H new ATOM 0 HD11 LEU B 14 15.327 -3.101 6.800 1.00 10.00 H new ATOM 0 HD12 LEU B 14 13.985 -3.164 7.968 1.00 10.00 H new ATOM 0 HD13 LEU B 14 14.470 -4.634 7.090 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.862 -3.307 4.351 1.00 10.00 H new ATOM 0 HD22 LEU B 14 14.006 -4.839 4.642 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.190 -3.515 3.777 1.00 10.00 H new ATOM 982 N LEU B 15 10.111 -1.958 5.104 1.00 10.00 N ATOM 983 CA LEU B 15 9.616 -0.838 4.252 1.00 10.00 C ATOM 984 C LEU B 15 8.858 0.180 5.107 1.00 10.00 C ATOM 985 O LEU B 15 9.167 1.356 5.103 1.00 10.00 O ATOM 986 CB LEU B 15 8.681 -1.492 3.235 1.00 10.00 C ATOM 987 CG LEU B 15 9.378 -1.564 1.877 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.632 -2.432 1.991 1.00 10.00 C ATOM 989 CD2 LEU B 15 8.427 -2.178 0.846 1.00 10.00 C ATOM 0 H LEU B 15 9.952 -2.893 4.729 1.00 10.00 H new ATOM 0 HA LEU B 15 10.429 -0.300 3.765 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.406 -2.493 3.568 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.758 -0.919 3.152 1.00 10.00 H new ATOM 0 HG LEU B 15 9.659 -0.559 1.561 1.00 10.00 H new ATOM 0 HD11 LEU B 15 11.129 -2.483 1.022 1.00 10.00 H new ATOM 0 HD12 LEU B 15 11.311 -1.996 2.724 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.352 -3.436 2.308 1.00 10.00 H new ATOM 0 HD21 LEU B 15 8.924 -2.229 -0.123 1.00 10.00 H new ATOM 0 HD22 LEU B 15 8.146 -3.182 1.163 1.00 10.00 H new ATOM 0 HD23 LEU B 15 7.533 -1.560 0.762 1.00 10.00 H new ATOM 1001 N GLN B 16 7.873 -0.259 5.844 1.00 10.00 N ATOM 1002 CA GLN B 16 7.106 0.690 6.700 1.00 10.00 C ATOM 1003 C GLN B 16 8.062 1.689 7.351 1.00 10.00 C ATOM 1004 O GLN B 16 7.915 2.887 7.212 1.00 10.00 O ATOM 1005 CB GLN B 16 6.444 -0.186 7.761 1.00 10.00 C ATOM 1006 CG GLN B 16 4.938 -0.271 7.497 1.00 10.00 C ATOM 1007 CD GLN B 16 4.679 -0.395 5.994 1.00 10.00 C ATOM 1008 OE1 GLN B 16 5.481 -0.952 5.272 1.00 10.00 O ATOM 1009 NE2 GLN B 16 3.583 0.105 5.491 1.00 10.00 N ATOM 0 H GLN B 16 7.567 -1.231 5.890 1.00 10.00 H new ATOM 0 HA GLN B 16 6.374 1.267 6.134 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.882 -1.184 7.747 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.626 0.228 8.753 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.516 -1.130 8.020 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.441 0.616 7.889 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.910 0.573 6.098 1.00 10.00 H new ATOM 0 HE22 GLN B 16 3.400 0.028 4.491 1.00 10.00 H new ATOM 1018 N GLY B 17 9.049 1.204 8.054 1.00 10.00 N ATOM 1019 CA GLY B 17 10.017 2.128 8.704 1.00 10.00 C ATOM 1020 C GLY B 17 10.424 3.204 7.699 1.00 10.00 C ATOM 1021 O GLY B 17 10.257 4.383 7.940 1.00 10.00 O ATOM 0 H GLY B 17 9.225 0.211 8.205 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.568 2.586 9.585 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.894 1.577 9.043 1.00 10.00 H new ATOM 1025 N TYR B 18 10.952 2.806 6.571 1.00 10.00 N ATOM 1026 CA TYR B 18 11.365 3.804 5.546 1.00 10.00 C ATOM 1027 C TYR B 18 10.374 4.968 5.507 1.00 10.00 C ATOM 1028 O TYR B 18 10.714 6.094 5.810 1.00 10.00 O ATOM 1029 CB TYR B 18 11.346 3.042 4.222 1.00 10.00 C ATOM 1030 CG TYR B 18 12.465 3.546 3.350 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.743 3.716 3.892 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.227 3.851 2.004 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.786 4.190 3.088 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.269 4.327 1.201 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.550 4.496 1.743 1.00 10.00 C ATOM 1036 OH TYR B 18 15.575 4.968 0.952 1.00 10.00 O ATOM 0 H TYR B 18 11.114 1.832 6.317 1.00 10.00 H new ATOM 0 HA TYR B 18 12.345 4.230 5.759 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.461 1.973 4.401 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.387 3.180 3.722 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.925 3.482 4.930 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.240 3.719 1.586 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.773 4.320 3.506 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.086 4.564 0.163 1.00 10.00 H new ATOM 0 HH TYR B 18 15.523 5.945 0.897 1.00 10.00 H new ATOM 1046 N THR B 19 9.149 4.708 5.141 1.00 10.00 N ATOM 1047 CA THR B 19 8.144 5.806 5.091 1.00 10.00 C ATOM 1048 C THR B 19 8.132 6.545 6.431 1.00 10.00 C ATOM 1049 O THR B 19 7.917 7.737 6.495 1.00 10.00 O ATOM 1050 CB THR B 19 6.806 5.105 4.826 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.368 5.413 3.509 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.752 5.572 5.836 1.00 10.00 C ATOM 0 H THR B 19 8.802 3.786 4.875 1.00 10.00 H new ATOM 0 HA THR B 19 8.358 6.549 4.322 1.00 10.00 H new ATOM 0 HB THR B 19 6.942 4.028 4.930 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.514 4.965 3.335 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.807 5.066 5.636 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.085 5.333 6.846 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.613 6.649 5.745 1.00 10.00 H new ATOM 1060 N VAL B 20 8.369 5.837 7.501 1.00 10.00 N ATOM 1061 CA VAL B 20 8.377 6.487 8.841 1.00 10.00 C ATOM 1062 C VAL B 20 9.663 7.296 9.031 1.00 10.00 C ATOM 1063 O VAL B 20 9.715 8.220 9.815 1.00 10.00 O ATOM 1064 CB VAL B 20 8.317 5.333 9.840 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.226 5.891 11.261 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.086 4.473 9.551 1.00 10.00 C ATOM 0 H VAL B 20 8.558 4.835 7.505 1.00 10.00 H new ATOM 0 HA VAL B 20 7.546 7.181 8.968 1.00 10.00 H new ATOM 0 HB VAL B 20 9.217 4.725 9.746 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.183 5.067 11.973 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.103 6.504 11.468 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.327 6.500 11.356 1.00 10.00 H new ATOM 0 HG21 VAL B 20 7.042 3.649 10.263 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.187 5.082 9.645 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.150 4.074 8.539 1.00 10.00 H new ATOM 1076 N GLU B 21 10.703 6.958 8.318 1.00 10.00 N ATOM 1077 CA GLU B 21 11.981 7.718 8.467 1.00 10.00 C ATOM 1078 C GLU B 21 12.048 8.822 7.415 1.00 10.00 C ATOM 1079 O GLU B 21 12.094 9.996 7.726 1.00 10.00 O ATOM 1080 CB GLU B 21 13.110 6.708 8.237 1.00 10.00 C ATOM 1081 CG GLU B 21 12.578 5.290 8.400 1.00 10.00 C ATOM 1082 CD GLU B 21 13.701 4.374 8.892 1.00 10.00 C ATOM 1083 OE1 GLU B 21 13.887 4.290 10.095 1.00 10.00 O ATOM 1084 OE2 GLU B 21 14.356 3.772 8.056 1.00 10.00 O ATOM 0 H GLU B 21 10.725 6.194 7.643 1.00 10.00 H new ATOM 0 HA GLU B 21 12.059 8.183 9.450 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.527 6.837 7.238 1.00 10.00 H new ATOM 0 HB3 GLU B 21 13.919 6.886 8.946 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.750 5.281 9.109 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.188 4.926 7.450 1.00 10.00 H new ATOM 1091 N VAL B 22 12.052 8.446 6.169 1.00 10.00 N ATOM 1092 CA VAL B 22 12.117 9.456 5.078 1.00 10.00 C ATOM 1093 C VAL B 22 11.118 10.587 5.339 1.00 10.00 C ATOM 1094 O VAL B 22 11.358 11.728 4.999 1.00 10.00 O ATOM 1095 CB VAL B 22 11.740 8.686 3.811 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.072 9.531 2.585 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.532 7.379 3.751 1.00 10.00 C ATOM 0 H VAL B 22 12.013 7.476 5.857 1.00 10.00 H new ATOM 0 HA VAL B 22 13.101 9.919 4.999 1.00 10.00 H new ATOM 0 HB VAL B 22 10.673 8.466 3.827 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.804 8.983 1.682 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.510 10.464 2.623 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.140 9.750 2.573 1.00 10.00 H new ATOM 0 HG21 VAL B 22 12.262 6.831 2.848 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.599 7.601 3.736 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.300 6.772 4.626 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.999 10.283 5.941 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.994 11.348 6.218 1.00 10.00 C ATOM 1109 C LEU B 23B 9.303 12.041 7.549 1.00 10.00 C ATOM 1110 O LEU B 23B 9.180 13.243 7.674 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.651 10.619 6.295 1.00 10.00 C ATOM 1112 CG LEU B 23B 7.217 10.199 4.891 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 6.150 9.107 4.991 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 6.638 11.409 4.154 1.00 10.00 C ATOM 0 H LEU B 23B 9.739 9.347 6.251 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.996 12.122 5.450 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.737 9.743 6.938 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 6.898 11.269 6.741 1.00 10.00 H new ATOM 0 HG LEU B 23B 8.079 9.816 4.344 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.841 8.808 3.990 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 6.560 8.245 5.517 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 5.288 9.489 5.538 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 6.328 11.111 3.152 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 5.776 11.791 4.702 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 7.397 12.188 4.082 1.00 10.00 H new ATOM 1126 N ARG B 24 9.702 11.295 8.543 1.00 10.00 N ATOM 1127 CA ARG B 24 10.014 11.918 9.861 1.00 10.00 C ATOM 1128 C ARG B 24 11.459 12.426 9.885 1.00 10.00 C ATOM 1129 O ARG B 24 11.997 12.740 10.928 1.00 10.00 O ATOM 1130 CB ARG B 24 9.819 10.796 10.881 1.00 10.00 C ATOM 1131 CG ARG B 24 9.139 11.351 12.134 1.00 10.00 C ATOM 1132 CD ARG B 24 7.820 10.610 12.366 1.00 10.00 C ATOM 1133 NE ARG B 24 7.899 10.113 13.767 1.00 10.00 N ATOM 1134 CZ ARG B 24 7.038 9.231 14.197 1.00 10.00 C ATOM 1135 NH1 ARG B 24 7.222 7.963 13.948 1.00 10.00 N ATOM 1136 NH2 ARG B 24 5.991 9.618 14.873 1.00 10.00 N ATOM 0 H ARG B 24 9.825 10.283 8.500 1.00 10.00 H new ATOM 0 HA ARG B 24 9.378 12.778 10.072 1.00 10.00 H new ATOM 0 HB2 ARG B 24 9.213 10.000 10.449 1.00 10.00 H new ATOM 0 HB3 ARG B 24 10.782 10.357 11.142 1.00 10.00 H new ATOM 0 HG2 ARG B 24 9.792 11.233 12.998 1.00 10.00 H new ATOM 0 HG3 ARG B 24 8.954 12.419 12.018 1.00 10.00 H new ATOM 0 HD2 ARG B 24 6.966 11.273 12.230 1.00 10.00 H new ATOM 0 HD3 ARG B 24 7.700 9.787 11.661 1.00 10.00 H new ATOM 0 HE ARG B 24 8.626 10.462 14.391 1.00 10.00 H new ATOM 0 HH11 ARG B 24 8.039 7.661 13.417 1.00 10.00 H new ATOM 0 HH12 ARG B 24 6.549 7.274 14.284 1.00 10.00 H new ATOM 0 HH21 ARG B 24 5.846 10.609 15.065 1.00 10.00 H new ATOM 0 HH22 ARG B 24 5.318 8.929 15.209 1.00 10.00 H new ATOM 1150 N GLN B 25 12.092 12.513 8.746 1.00 10.00 N ATOM 1151 CA GLN B 25 13.500 13.005 8.716 1.00 10.00 C ATOM 1152 C GLN B 25 13.914 13.369 7.284 1.00 10.00 C ATOM 1153 O GLN B 25 15.086 13.426 6.971 1.00 10.00 O ATOM 1154 CB GLN B 25 14.340 11.838 9.248 1.00 10.00 C ATOM 1155 CG GLN B 25 14.840 10.979 8.081 1.00 10.00 C ATOM 1156 CD GLN B 25 15.443 9.682 8.622 1.00 10.00 C ATOM 1157 OE1 GLN B 25 14.870 8.622 8.468 1.00 10.00 O ATOM 1158 NE2 GLN B 25 16.585 9.720 9.252 1.00 10.00 N ATOM 0 H GLN B 25 11.697 12.266 7.839 1.00 10.00 H new ATOM 0 HA GLN B 25 13.633 13.907 9.314 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.187 12.219 9.819 1.00 10.00 H new ATOM 0 HB3 GLN B 25 13.744 11.230 9.929 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.017 10.754 7.403 1.00 10.00 H new ATOM 0 HG3 GLN B 25 15.586 11.527 7.506 1.00 10.00 H new ATOM 0 HE21 GLN B 25 17.067 10.610 9.382 1.00 10.00 H new ATOM 0 HE22 GLN B 25 16.996 8.860 9.615 1.00 10.00 H new ATOM 1167 N GLN B 26 12.959 13.614 6.419 1.00 10.00 N ATOM 1168 CA GLN B 26 13.282 13.976 5.001 1.00 10.00 C ATOM 1169 C GLN B 26 14.796 14.094 4.793 1.00 10.00 C ATOM 1170 O GLN B 26 15.370 15.148 4.984 1.00 10.00 O ATOM 1171 CB GLN B 26 12.607 15.329 4.777 1.00 10.00 C ATOM 1172 CG GLN B 26 11.419 15.157 3.830 1.00 10.00 C ATOM 1173 CD GLN B 26 11.526 16.167 2.686 1.00 10.00 C ATOM 1174 OE1 GLN B 26 12.575 16.738 2.461 1.00 10.00 O ATOM 1175 NE2 GLN B 26 10.478 16.414 1.949 1.00 10.00 N ATOM 0 H GLN B 26 11.963 13.579 6.635 1.00 10.00 H new ATOM 0 HA GLN B 26 12.933 13.216 4.301 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.270 15.741 5.728 1.00 10.00 H new ATOM 0 HB3 GLN B 26 13.320 16.038 4.357 1.00 10.00 H new ATOM 0 HG2 GLN B 26 11.401 14.142 3.433 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.485 15.303 4.372 1.00 10.00 H new ATOM 0 HE21 GLN B 26 9.597 15.935 2.138 1.00 10.00 H new ATOM 0 HE22 GLN B 26 10.539 17.086 1.184 1.00 10.00 H new ATOM 1184 N PRO B 27 15.391 12.996 4.413 1.00 10.00 N ATOM 1185 CA PRO B 27 16.856 12.960 4.180 1.00 10.00 C ATOM 1186 C PRO B 27 17.230 13.782 2.944 1.00 10.00 C ATOM 1187 O PRO B 27 16.373 14.209 2.197 1.00 10.00 O ATOM 1188 CB PRO B 27 17.146 11.476 3.960 1.00 10.00 C ATOM 1189 CG PRO B 27 15.850 10.903 3.489 1.00 10.00 C ATOM 1190 CD PRO B 27 14.764 11.696 4.164 1.00 10.00 C ATOM 0 HA PRO B 27 17.430 13.385 5.004 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.935 11.332 3.221 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.480 10.997 4.880 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.766 10.974 2.405 1.00 10.00 H new ATOM 0 HG3 PRO B 27 15.776 9.846 3.746 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.883 11.791 3.529 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.439 11.223 5.091 1.00 10.00 H new ATOM 1198 N PRO B 28 18.510 13.974 2.774 1.00 10.00 N ATOM 1199 CA PRO B 28 19.021 14.753 1.619 1.00 10.00 C ATOM 1200 C PRO B 28 18.802 13.983 0.313 1.00 10.00 C ATOM 1201 O PRO B 28 18.575 14.562 -0.731 1.00 10.00 O ATOM 1202 CB PRO B 28 20.510 14.905 1.921 1.00 10.00 C ATOM 1203 CG PRO B 28 20.833 13.758 2.822 1.00 10.00 C ATOM 1204 CD PRO B 28 19.593 13.490 3.631 1.00 10.00 C ATOM 0 HA PRO B 28 18.517 15.711 1.491 1.00 10.00 H new ATOM 0 HB2 PRO B 28 21.105 14.871 1.008 1.00 10.00 H new ATOM 0 HB3 PRO B 28 20.721 15.859 2.404 1.00 10.00 H new ATOM 0 HG2 PRO B 28 21.117 12.879 2.244 1.00 10.00 H new ATOM 0 HG3 PRO B 28 21.675 13.999 3.471 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.483 12.429 3.856 1.00 10.00 H new ATOM 0 HD3 PRO B 28 19.615 14.017 4.585 1.00 10.00 H new ATOM 1212 N ASP B 29 18.865 12.682 0.367 1.00 10.00 N ATOM 1213 CA ASP B 29 18.657 11.870 -0.867 1.00 10.00 C ATOM 1214 C ASP B 29 17.890 10.592 -0.525 1.00 10.00 C ATOM 1215 O ASP B 29 17.989 10.077 0.568 1.00 10.00 O ATOM 1216 CB ASP B 29 20.064 11.537 -1.365 1.00 10.00 C ATOM 1217 CG ASP B 29 20.305 12.220 -2.712 1.00 10.00 C ATOM 1218 OD1 ASP B 29 19.342 12.408 -3.438 1.00 10.00 O ATOM 1219 OD2 ASP B 29 21.447 12.542 -2.996 1.00 10.00 O ATOM 0 H ASP B 29 19.052 12.144 1.213 1.00 10.00 H new ATOM 0 HA ASP B 29 18.076 12.400 -1.622 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.806 11.869 -0.639 1.00 10.00 H new ATOM 0 HB3 ASP B 29 20.179 10.458 -1.467 1.00 10.00 H new ATOM 1224 N LEU B 30 17.122 10.077 -1.444 1.00 10.00 N ATOM 1225 CA LEU B 30 16.350 8.833 -1.157 1.00 10.00 C ATOM 1226 C LEU B 30 17.168 7.599 -1.545 1.00 10.00 C ATOM 1227 O LEU B 30 17.621 6.856 -0.697 1.00 10.00 O ATOM 1228 CB LEU B 30 15.091 8.941 -2.020 1.00 10.00 C ATOM 1229 CG LEU B 30 14.037 7.953 -1.518 1.00 10.00 C ATOM 1230 CD1 LEU B 30 14.540 6.522 -1.719 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.775 8.199 -0.029 1.00 10.00 C ATOM 0 H LEU B 30 16.995 10.462 -2.380 1.00 10.00 H new ATOM 0 HA LEU B 30 16.110 8.730 -0.099 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.698 9.957 -1.982 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.333 8.731 -3.062 1.00 10.00 H new ATOM 0 HG LEU B 30 13.112 8.093 -2.078 1.00 10.00 H new ATOM 0 HD11 LEU B 30 13.788 5.818 -1.361 1.00 10.00 H new ATOM 0 HD12 LEU B 30 14.725 6.347 -2.779 1.00 10.00 H new ATOM 0 HD13 LEU B 30 15.465 6.380 -1.161 1.00 10.00 H new ATOM 0 HD21 LEU B 30 13.024 7.495 0.329 1.00 10.00 H new ATOM 0 HD22 LEU B 30 14.700 8.059 0.531 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.415 9.218 0.114 1.00 10.00 H new ATOM 1243 N VAL B 31 17.361 7.377 -2.818 1.00 10.00 N ATOM 1244 CA VAL B 31 18.155 6.191 -3.259 1.00 10.00 C ATOM 1245 C VAL B 31 19.282 5.920 -2.267 1.00 10.00 C ATOM 1246 O VAL B 31 19.313 4.907 -1.598 1.00 10.00 O ATOM 1247 CB VAL B 31 18.741 6.586 -4.613 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.361 5.357 -5.278 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.631 7.142 -5.506 1.00 10.00 C ATOM 0 H VAL B 31 17.004 7.964 -3.572 1.00 10.00 H new ATOM 0 HA VAL B 31 17.546 5.289 -3.320 1.00 10.00 H new ATOM 0 HB VAL B 31 19.508 7.347 -4.469 1.00 10.00 H new ATOM 0 HG11 VAL B 31 19.779 5.638 -6.244 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.152 4.959 -4.642 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.594 4.596 -5.422 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.049 7.424 -6.473 1.00 10.00 H new ATOM 0 HG22 VAL B 31 16.864 6.381 -5.650 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.188 8.018 -5.033 1.00 10.00 H new ATOM 1259 N ASP B 32 20.206 6.831 -2.168 1.00 10.00 N ATOM 1260 CA ASP B 32 21.337 6.655 -1.223 1.00 10.00 C ATOM 1261 C ASP B 32 20.804 6.383 0.187 1.00 10.00 C ATOM 1262 O ASP B 32 21.348 5.584 0.922 1.00 10.00 O ATOM 1263 CB ASP B 32 22.082 7.984 -1.280 1.00 10.00 C ATOM 1264 CG ASP B 32 23.586 7.736 -1.143 1.00 10.00 C ATOM 1265 OD1 ASP B 32 24.037 6.692 -1.585 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.260 8.594 -0.597 1.00 10.00 O ATOM 0 H ASP B 32 20.225 7.697 -2.707 1.00 10.00 H new ATOM 0 HA ASP B 32 21.981 5.813 -1.478 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.871 8.491 -2.222 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.737 8.640 -0.481 1.00 10.00 H new ATOM 1271 N PHE B 33 19.738 7.037 0.566 1.00 10.00 N ATOM 1272 CA PHE B 33 19.169 6.804 1.925 1.00 10.00 C ATOM 1273 C PHE B 33 18.681 5.360 2.040 1.00 10.00 C ATOM 1274 O PHE B 33 18.840 4.718 3.058 1.00 10.00 O ATOM 1275 CB PHE B 33 17.998 7.779 2.048 1.00 10.00 C ATOM 1276 CG PHE B 33 17.380 7.654 3.420 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.952 8.325 4.508 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.233 6.872 3.603 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.378 8.211 5.780 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.658 6.761 4.875 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.231 7.430 5.964 1.00 10.00 C ATOM 0 H PHE B 33 19.239 7.720 -0.004 1.00 10.00 H new ATOM 0 HA PHE B 33 19.904 6.961 2.714 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.343 8.800 1.884 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.253 7.567 1.281 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.835 8.930 4.366 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.792 6.355 2.764 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.821 8.726 6.620 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.772 6.159 5.016 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.788 7.343 6.945 1.00 10.00 H new ATOM 1291 N ALA B 34 18.094 4.843 0.996 1.00 10.00 N ATOM 1292 CA ALA B 34 17.604 3.437 1.037 1.00 10.00 C ATOM 1293 C ALA B 34 18.788 2.480 1.185 1.00 10.00 C ATOM 1294 O ALA B 34 18.651 1.368 1.655 1.00 10.00 O ATOM 1295 CB ALA B 34 16.908 3.221 -0.308 1.00 10.00 C ATOM 0 H ALA B 34 17.933 5.334 0.116 1.00 10.00 H new ATOM 0 HA ALA B 34 16.933 3.254 1.876 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.518 2.204 -0.357 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.087 3.930 -0.411 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.623 3.374 -1.116 1.00 10.00 H new ATOM 1301 N VAL B 35 19.951 2.906 0.779 1.00 10.00 N ATOM 1302 CA VAL B 35 21.146 2.036 0.881 1.00 10.00 C ATOM 1303 C VAL B 35 21.843 2.246 2.227 1.00 10.00 C ATOM 1304 O VAL B 35 22.122 1.308 2.946 1.00 10.00 O ATOM 1305 CB VAL B 35 22.026 2.501 -0.270 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.481 2.158 0.024 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.583 1.801 -1.552 1.00 10.00 C ATOM 0 H VAL B 35 20.122 3.828 0.378 1.00 10.00 H new ATOM 0 HA VAL B 35 20.911 0.973 0.825 1.00 10.00 H new ATOM 0 HB VAL B 35 21.932 3.580 -0.389 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.108 2.493 -0.803 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.794 2.656 0.942 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.584 1.079 0.144 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.210 2.130 -2.381 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.680 0.722 -1.430 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.543 2.051 -1.762 1.00 10.00 H new ATOM 1317 N GLU B 36 22.123 3.471 2.574 1.00 10.00 N ATOM 1318 CA GLU B 36 22.798 3.737 3.872 1.00 10.00 C ATOM 1319 C GLU B 36 21.972 3.145 5.018 1.00 10.00 C ATOM 1320 O GLU B 36 22.504 2.675 6.004 1.00 10.00 O ATOM 1321 CB GLU B 36 22.870 5.265 3.966 1.00 10.00 C ATOM 1322 CG GLU B 36 22.392 5.733 5.341 1.00 10.00 C ATOM 1323 CD GLU B 36 22.959 7.123 5.634 1.00 10.00 C ATOM 1324 OE1 GLU B 36 23.807 7.567 4.877 1.00 10.00 O ATOM 1325 OE2 GLU B 36 22.535 7.721 6.610 1.00 10.00 O ATOM 0 H GLU B 36 21.913 4.298 2.015 1.00 10.00 H new ATOM 0 HA GLU B 36 23.788 3.285 3.938 1.00 10.00 H new ATOM 0 HB2 GLU B 36 23.893 5.599 3.796 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.254 5.714 3.187 1.00 10.00 H new ATOM 0 HG2 GLU B 36 21.303 5.760 5.369 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.713 5.029 6.108 1.00 10.00 H new ATOM 1332 N TYR B 37 20.673 3.164 4.895 1.00 10.00 N ATOM 1333 CA TYR B 37 19.813 2.602 5.975 1.00 10.00 C ATOM 1334 C TYR B 37 19.861 1.072 5.947 1.00 10.00 C ATOM 1335 O TYR B 37 20.238 0.435 6.911 1.00 10.00 O ATOM 1336 CB TYR B 37 18.403 3.101 5.660 1.00 10.00 C ATOM 1337 CG TYR B 37 17.434 2.538 6.672 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.728 2.615 8.040 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.242 1.940 6.244 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.829 2.094 8.979 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.344 1.418 7.184 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.638 1.495 8.551 1.00 10.00 C ATOM 1343 OH TYR B 37 14.754 0.981 9.477 1.00 10.00 O ATOM 0 H TYR B 37 20.170 3.544 4.093 1.00 10.00 H new ATOM 0 HA TYR B 37 20.141 2.911 6.967 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.377 4.190 5.683 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.114 2.796 4.654 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.647 3.076 8.370 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.015 1.881 5.190 1.00 10.00 H new ATOM 0 HE1 TYR B 37 17.054 2.154 10.033 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.425 0.956 6.854 1.00 10.00 H new ATOM 0 HH TYR B 37 13.978 0.602 9.013 1.00 10.00 H new ATOM 1353 N PHE B 38 19.479 0.475 4.849 1.00 10.00 N ATOM 1354 CA PHE B 38 19.502 -1.013 4.766 1.00 10.00 C ATOM 1355 C PHE B 38 20.941 -1.530 4.859 1.00 10.00 C ATOM 1356 O PHE B 38 21.216 -2.507 5.527 1.00 10.00 O ATOM 1357 CB PHE B 38 18.897 -1.343 3.400 1.00 10.00 C ATOM 1358 CG PHE B 38 17.453 -0.900 3.363 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.665 -0.973 4.519 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.902 -0.418 2.169 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.327 -0.563 4.481 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.564 -0.008 2.132 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.777 -0.080 3.287 1.00 10.00 C ATOM 0 H PHE B 38 19.153 0.953 4.009 1.00 10.00 H new ATOM 0 HA PHE B 38 18.948 -1.480 5.580 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.461 -0.844 2.612 1.00 10.00 H new ATOM 0 HB3 PHE B 38 18.964 -2.414 3.211 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.090 -1.346 5.439 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.509 -0.363 1.277 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.719 -0.619 5.372 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.139 0.364 1.212 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.745 0.237 3.258 1.00 10.00 H new ATOM 1373 N THR B 39 21.862 -0.884 4.195 1.00 10.00 N ATOM 1374 CA THR B 39 23.280 -1.344 4.253 1.00 10.00 C ATOM 1375 C THR B 39 23.725 -1.491 5.710 1.00 10.00 C ATOM 1376 O THR B 39 24.386 -2.443 6.074 1.00 10.00 O ATOM 1377 CB THR B 39 24.085 -0.252 3.544 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.700 -0.192 2.177 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.577 -0.571 3.639 1.00 10.00 C ATOM 0 H THR B 39 21.695 -0.060 3.617 1.00 10.00 H new ATOM 0 HA THR B 39 23.421 -2.316 3.780 1.00 10.00 H new ATOM 0 HB THR B 39 23.889 0.709 4.020 1.00 10.00 H new ATOM 0 HG1 THR B 39 22.832 0.256 2.101 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.148 0.208 3.134 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.873 -0.616 4.687 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.775 -1.532 3.164 1.00 10.00 H new ATOM 1387 N ARG B 40 23.359 -0.561 6.549 1.00 10.00 N ATOM 1388 CA ARG B 40 23.753 -0.658 7.983 1.00 10.00 C ATOM 1389 C ARG B 40 22.962 -1.778 8.663 1.00 10.00 C ATOM 1390 O ARG B 40 23.483 -2.518 9.473 1.00 10.00 O ATOM 1391 CB ARG B 40 23.390 0.698 8.588 1.00 10.00 C ATOM 1392 CG ARG B 40 24.434 1.738 8.178 1.00 10.00 C ATOM 1393 CD ARG B 40 24.477 2.859 9.221 1.00 10.00 C ATOM 1394 NE ARG B 40 23.053 3.114 9.576 1.00 10.00 N ATOM 1395 CZ ARG B 40 22.709 3.273 10.825 1.00 10.00 C ATOM 1396 NH1 ARG B 40 23.082 4.343 11.472 1.00 10.00 N ATOM 1397 NH2 ARG B 40 21.995 2.362 11.426 1.00 10.00 N ATOM 0 H ARG B 40 22.805 0.260 6.304 1.00 10.00 H new ATOM 0 HA ARG B 40 24.811 -0.887 8.110 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.401 1.006 8.248 1.00 10.00 H new ATOM 0 HB3 ARG B 40 23.344 0.622 9.674 1.00 10.00 H new ATOM 0 HG2 ARG B 40 25.414 1.270 8.092 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.189 2.148 7.198 1.00 10.00 H new ATOM 0 HD2 ARG B 40 25.054 2.561 10.096 1.00 10.00 H new ATOM 0 HD3 ARG B 40 24.949 3.755 8.818 1.00 10.00 H new ATOM 0 HE ARG B 40 22.346 3.164 8.842 1.00 10.00 H new ATOM 0 HH11 ARG B 40 23.642 5.054 11.002 1.00 10.00 H new ATOM 0 HH12 ARG B 40 22.814 4.468 12.448 1.00 10.00 H new ATOM 0 HH21 ARG B 40 21.705 1.525 10.920 1.00 10.00 H new ATOM 0 HH22 ARG B 40 21.726 2.486 12.402 1.00 10.00 H new ATOM 1411 N LEU B 41 21.705 -1.909 8.335 1.00 10.00 N ATOM 1412 CA LEU B 41 20.877 -2.981 8.958 1.00 10.00 C ATOM 1413 C LEU B 41 21.604 -4.326 8.870 1.00 10.00 C ATOM 1414 O LEU B 41 21.627 -5.092 9.812 1.00 10.00 O ATOM 1415 CB LEU B 41 19.588 -3.014 8.134 1.00 10.00 C ATOM 1416 CG LEU B 41 18.385 -2.827 9.059 1.00 10.00 C ATOM 1417 CD1 LEU B 41 18.403 -3.905 10.145 1.00 10.00 C ATOM 1418 CD2 LEU B 41 18.456 -1.446 9.714 1.00 10.00 C ATOM 0 H LEU B 41 21.215 -1.319 7.662 1.00 10.00 H new ATOM 0 HA LEU B 41 20.682 -2.793 10.014 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.606 -2.227 7.380 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.508 -3.963 7.603 1.00 10.00 H new ATOM 0 HG LEU B 41 17.466 -2.909 8.479 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.545 -3.772 10.804 1.00 10.00 H new ATOM 0 HD12 LEU B 41 18.354 -4.890 9.681 1.00 10.00 H new ATOM 0 HD13 LEU B 41 19.322 -3.822 10.725 1.00 10.00 H new ATOM 0 HD21 LEU B 41 17.599 -1.312 10.374 1.00 10.00 H new ATOM 0 HD22 LEU B 41 19.376 -1.365 10.293 1.00 10.00 H new ATOM 0 HD23 LEU B 41 18.444 -0.676 8.942 1.00 10.00 H new ATOM 1430 N ARG B 42 22.198 -4.619 7.746 1.00 10.00 N ATOM 1431 CA ARG B 42 22.921 -5.915 7.604 1.00 10.00 C ATOM 1432 C ARG B 42 23.918 -6.094 8.755 1.00 10.00 C ATOM 1433 O ARG B 42 24.234 -7.198 9.149 1.00 10.00 O ATOM 1434 CB ARG B 42 23.662 -5.812 6.271 1.00 10.00 C ATOM 1435 CG ARG B 42 22.691 -6.078 5.118 1.00 10.00 C ATOM 1436 CD ARG B 42 21.986 -7.424 5.325 1.00 10.00 C ATOM 1437 NE ARG B 42 22.970 -8.279 6.048 1.00 10.00 N ATOM 1438 CZ ARG B 42 23.847 -8.977 5.379 1.00 10.00 C ATOM 1439 NH1 ARG B 42 23.449 -9.850 4.494 1.00 10.00 N ATOM 1440 NH2 ARG B 42 25.122 -8.805 5.598 1.00 10.00 N ATOM 0 H ARG B 42 22.214 -4.019 6.921 1.00 10.00 H new ATOM 0 HA ARG B 42 22.244 -6.769 7.631 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.104 -4.821 6.165 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.481 -6.531 6.243 1.00 10.00 H new ATOM 0 HG2 ARG B 42 21.954 -5.277 5.061 1.00 10.00 H new ATOM 0 HG3 ARG B 42 23.231 -6.083 4.171 1.00 10.00 H new ATOM 0 HD2 ARG B 42 21.070 -7.303 5.904 1.00 10.00 H new ATOM 0 HD3 ARG B 42 21.704 -7.870 4.372 1.00 10.00 H new ATOM 0 HE ARG B 42 22.958 -8.319 7.067 1.00 10.00 H new ATOM 0 HH11 ARG B 42 22.452 -9.987 4.325 1.00 10.00 H new ATOM 0 HH12 ARG B 42 24.135 -10.395 3.971 1.00 10.00 H new ATOM 0 HH21 ARG B 42 25.433 -8.125 6.292 1.00 10.00 H new ATOM 0 HH22 ARG B 42 25.807 -9.350 5.075 1.00 10.00 H new