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= -0.274 K(o=-0.27,f=-2.7!) USER MOD Single : A 18 TYR OH : rot -52:sc= -12.6! USER MOD Single : A 19 THR OG1 : rot -160:sc= -0.548 USER MOD Single : A 25 GLN : amide:sc= -0.964 X(o=-0.96,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= -0.0571 X(o=-0.057,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -139:sc= -6.37! USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.338 K(o=-0.34,f=-2.6!) USER MOD Single : B 18 TYR OH : rot -51:sc= -12.5! USER MOD Single : B 19 THR OG1 : rot -160:sc= -0.558 USER MOD Single : B 25 GLN : amide:sc= -0.926 X(o=-0.93,f=-1.1) USER MOD Single : B 26 GLN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot -135:sc= -6.34! USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 11 9.025 8.521 -4.878 1.00 10.00 N ATOM 152 CA LEU A 11 9.239 7.325 -4.015 1.00 10.00 C ATOM 153 C LEU A 11 8.609 6.087 -4.662 1.00 10.00 C ATOM 154 O LEU A 11 9.111 4.988 -4.540 1.00 10.00 O ATOM 155 CB LEU A 11 8.537 7.659 -2.699 1.00 10.00 C ATOM 156 CG LEU A 11 9.576 7.803 -1.586 1.00 10.00 C ATOM 157 CD1 LEU A 11 9.210 8.991 -0.694 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.601 6.525 -0.745 1.00 10.00 C ATOM 0 HA LEU A 11 10.296 7.103 -3.869 1.00 10.00 H new ATOM 0 HB2 LEU A 11 7.969 8.584 -2.802 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.824 6.874 -2.446 1.00 10.00 H new ATOM 0 HG LEU A 11 10.559 7.970 -2.027 1.00 10.00 H new ATOM 0 HD11 LEU A 11 9.951 9.093 0.099 1.00 10.00 H new ATOM 0 HD12 LEU A 11 9.191 9.902 -1.292 1.00 10.00 H new ATOM 0 HD13 LEU A 11 8.227 8.826 -0.253 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.341 6.626 0.049 1.00 10.00 H new ATOM 0 HD22 LEU A 11 8.618 6.360 -0.305 1.00 10.00 H new ATOM 0 HD23 LEU A 11 9.862 5.677 -1.379 1.00 10.00 H new ATOM 170 N THR A 12 7.511 6.258 -5.347 1.00 10.00 N ATOM 171 CA THR A 12 6.848 5.092 -6.000 1.00 10.00 C ATOM 172 C THR A 12 7.848 4.335 -6.874 1.00 10.00 C ATOM 173 O THR A 12 8.289 3.253 -6.539 1.00 10.00 O ATOM 174 CB THR A 12 5.737 5.699 -6.858 1.00 10.00 C ATOM 175 OG1 THR A 12 4.788 6.339 -6.017 1.00 10.00 O ATOM 176 CG2 THR A 12 5.047 4.593 -7.659 1.00 10.00 C ATOM 0 H THR A 12 7.044 7.155 -5.483 1.00 10.00 H new ATOM 0 HA THR A 12 6.459 4.378 -5.274 1.00 10.00 H new ATOM 0 HB THR A 12 6.165 6.429 -7.545 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.076 6.730 -6.565 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.255 5.026 -8.270 1.00 10.00 H new ATOM 0 HG22 THR A 12 5.776 4.102 -8.304 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.618 3.862 -6.974 1.00 10.00 H new ATOM 184 N GLU A 13 8.204 4.900 -7.994 1.00 10.00 N ATOM 185 CA GLU A 13 9.174 4.223 -8.904 1.00 10.00 C ATOM 186 C GLU A 13 10.249 3.497 -8.088 1.00 10.00 C ATOM 187 O GLU A 13 10.627 2.382 -8.392 1.00 10.00 O ATOM 188 CB GLU A 13 9.795 5.352 -9.730 1.00 10.00 C ATOM 189 CG GLU A 13 11.150 4.901 -10.280 1.00 10.00 C ATOM 190 CD GLU A 13 11.268 5.308 -11.750 1.00 10.00 C ATOM 191 OE1 GLU A 13 11.400 6.493 -12.007 1.00 10.00 O ATOM 192 OE2 GLU A 13 11.225 4.427 -12.593 1.00 10.00 O ATOM 0 H GLU A 13 7.864 5.805 -8.321 1.00 10.00 H new ATOM 0 HA GLU A 13 8.696 3.473 -9.534 1.00 10.00 H new ATOM 0 HB2 GLU A 13 9.131 5.624 -10.550 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.920 6.242 -9.113 1.00 10.00 H new ATOM 0 HG2 GLU A 13 11.957 5.351 -9.702 1.00 10.00 H new ATOM 0 HG3 GLU A 13 11.252 3.820 -10.182 1.00 10.00 H new ATOM 199 N LEU A 14 10.744 4.120 -7.054 1.00 10.00 N ATOM 200 CA LEU A 14 11.792 3.466 -6.220 1.00 10.00 C ATOM 201 C LEU A 14 11.204 2.257 -5.489 1.00 10.00 C ATOM 202 O LEU A 14 11.639 1.137 -5.670 1.00 10.00 O ATOM 203 CB LEU A 14 12.228 4.535 -5.218 1.00 10.00 C ATOM 204 CG LEU A 14 13.688 4.910 -5.470 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.752 6.258 -6.191 1.00 10.00 C ATOM 206 CD2 LEU A 14 14.422 5.015 -4.132 1.00 10.00 C ATOM 0 H LEU A 14 10.468 5.054 -6.750 1.00 10.00 H new ATOM 0 HA LEU A 14 12.628 3.103 -6.818 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.594 5.417 -5.313 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.108 4.164 -4.200 1.00 10.00 H new ATOM 0 HG LEU A 14 14.159 4.145 -6.087 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.793 6.525 -6.371 1.00 10.00 H new ATOM 0 HD12 LEU A 14 13.226 6.187 -7.143 1.00 10.00 H new ATOM 0 HD13 LEU A 14 13.282 7.024 -5.574 1.00 10.00 H new ATOM 0 HD21 LEU A 14 15.464 5.282 -4.309 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.950 5.781 -3.517 1.00 10.00 H new ATOM 0 HD23 LEU A 14 14.376 4.056 -3.616 1.00 10.00 H new ATOM 218 N LEU A 15 10.217 2.474 -4.663 1.00 10.00 N ATOM 219 CA LEU A 15 9.603 1.337 -3.919 1.00 10.00 C ATOM 220 C LEU A 15 8.863 0.410 -4.886 1.00 10.00 C ATOM 221 O LEU A 15 9.184 -0.755 -5.006 1.00 10.00 O ATOM 222 CB LEU A 15 8.623 1.986 -2.939 1.00 10.00 C ATOM 223 CG LEU A 15 9.304 2.192 -1.583 1.00 10.00 C ATOM 224 CD1 LEU A 15 10.768 2.583 -1.792 1.00 10.00 C ATOM 225 CD2 LEU A 15 8.586 3.307 -0.819 1.00 10.00 C ATOM 0 H LEU A 15 9.809 3.389 -4.471 1.00 10.00 H new ATOM 0 HA LEU A 15 10.348 0.729 -3.406 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.281 2.943 -3.333 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.741 1.356 -2.821 1.00 10.00 H new ATOM 0 HG LEU A 15 9.257 1.265 -1.012 1.00 10.00 H new ATOM 0 HD11 LEU A 15 11.248 2.728 -0.824 1.00 10.00 H new ATOM 0 HD12 LEU A 15 11.282 1.791 -2.336 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.819 3.509 -2.365 1.00 10.00 H new ATOM 0 HD21 LEU A 15 9.069 3.456 0.147 1.00 10.00 H new ATOM 0 HD22 LEU A 15 8.634 4.231 -1.395 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.543 3.029 -0.664 1.00 10.00 H new ATOM 237 N GLN A 16 7.877 0.917 -5.577 1.00 10.00 N ATOM 238 CA GLN A 16 7.125 0.057 -6.536 1.00 10.00 C ATOM 239 C GLN A 16 8.095 -0.881 -7.257 1.00 10.00 C ATOM 240 O GLN A 16 7.840 -2.060 -7.403 1.00 10.00 O ATOM 241 CB GLN A 16 6.481 1.029 -7.523 1.00 10.00 C ATOM 242 CG GLN A 16 5.050 0.578 -7.823 1.00 10.00 C ATOM 243 CD GLN A 16 4.642 1.066 -9.214 1.00 10.00 C ATOM 244 OE1 GLN A 16 5.485 1.339 -10.046 1.00 10.00 O ATOM 245 NE2 GLN A 16 3.376 1.188 -9.504 1.00 10.00 N ATOM 0 H GLN A 16 7.561 1.885 -5.519 1.00 10.00 H new ATOM 0 HA GLN A 16 6.380 -0.567 -6.043 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.476 2.037 -7.107 1.00 10.00 H new ATOM 0 HB3 GLN A 16 7.062 1.067 -8.444 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.982 -0.509 -7.773 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.367 0.975 -7.072 1.00 10.00 H new ATOM 0 HE21 GLN A 16 2.669 0.959 -8.806 1.00 10.00 H new ATOM 0 HE22 GLN A 16 3.094 1.512 -10.429 1.00 10.00 H new ATOM 254 N GLY A 17 9.212 -0.369 -7.696 1.00 10.00 N ATOM 255 CA GLY A 17 10.200 -1.239 -8.390 1.00 10.00 C ATOM 256 C GLY A 17 10.549 -2.408 -7.473 1.00 10.00 C ATOM 257 O GLY A 17 10.272 -3.553 -7.776 1.00 10.00 O ATOM 0 H GLY A 17 9.482 0.610 -7.604 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.787 -1.606 -9.330 1.00 10.00 H new ATOM 0 HA3 GLY A 17 11.097 -0.671 -8.636 1.00 10.00 H new ATOM 261 N TYR A 18 11.142 -2.129 -6.343 1.00 10.00 N ATOM 262 CA TYR A 18 11.494 -3.223 -5.397 1.00 10.00 C ATOM 263 C TYR A 18 10.329 -4.206 -5.279 1.00 10.00 C ATOM 264 O TYR A 18 10.467 -5.386 -5.538 1.00 10.00 O ATOM 265 CB TYR A 18 11.733 -2.518 -4.063 1.00 10.00 C ATOM 266 CG TYR A 18 12.863 -3.201 -3.338 1.00 10.00 C ATOM 267 CD1 TYR A 18 14.076 -3.423 -3.996 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.696 -3.614 -2.012 1.00 10.00 C ATOM 269 CE1 TYR A 18 15.127 -4.061 -3.326 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.746 -4.253 -1.343 1.00 10.00 C ATOM 271 CZ TYR A 18 14.961 -4.476 -1.998 1.00 10.00 C ATOM 272 OH TYR A 18 15.994 -5.105 -1.337 1.00 10.00 O ATOM 0 H TYR A 18 11.397 -1.190 -6.036 1.00 10.00 H new ATOM 0 HA TYR A 18 12.363 -3.794 -5.722 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.974 -1.468 -4.231 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.828 -2.544 -3.457 1.00 10.00 H new ATOM 0 HD1 TYR A 18 14.202 -3.103 -5.020 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.758 -3.440 -1.505 1.00 10.00 H new ATOM 0 HE1 TYR A 18 16.065 -4.233 -3.833 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.618 -4.574 -0.320 1.00 10.00 H new ATOM 0 HH TYR A 18 16.321 -5.854 -1.878 1.00 10.00 H new ATOM 282 N THR A 19 9.182 -3.726 -4.888 1.00 10.00 N ATOM 283 CA THR A 19 8.001 -4.625 -4.748 1.00 10.00 C ATOM 284 C THR A 19 7.889 -5.548 -5.963 1.00 10.00 C ATOM 285 O THR A 19 7.428 -6.668 -5.862 1.00 10.00 O ATOM 286 CB THR A 19 6.797 -3.683 -4.677 1.00 10.00 C ATOM 287 OG1 THR A 19 7.253 -2.342 -4.548 1.00 10.00 O ATOM 288 CG2 THR A 19 5.931 -4.049 -3.472 1.00 10.00 C ATOM 0 H THR A 19 9.010 -2.747 -4.658 1.00 10.00 H new ATOM 0 HA THR A 19 8.072 -5.267 -3.870 1.00 10.00 H new ATOM 0 HB THR A 19 6.206 -3.779 -5.588 1.00 10.00 H new ATOM 0 HG1 THR A 19 6.531 -1.784 -4.190 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.074 -3.377 -3.423 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.582 -5.076 -3.574 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.519 -3.955 -2.559 1.00 10.00 H new ATOM 296 N VAL A 20 8.302 -5.089 -7.111 1.00 10.00 N ATOM 297 CA VAL A 20 8.213 -5.943 -8.331 1.00 10.00 C ATOM 298 C VAL A 20 9.458 -6.825 -8.458 1.00 10.00 C ATOM 299 O VAL A 20 9.426 -7.873 -9.071 1.00 10.00 O ATOM 300 CB VAL A 20 8.130 -4.960 -9.498 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.234 -5.726 -10.817 1.00 10.00 C ATOM 302 CG2 VAL A 20 6.792 -4.218 -9.443 1.00 10.00 C ATOM 0 H VAL A 20 8.697 -4.160 -7.259 1.00 10.00 H new ATOM 0 HA VAL A 20 7.354 -6.614 -8.301 1.00 10.00 H new ATOM 0 HB VAL A 20 8.948 -4.242 -9.429 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.175 -5.026 -11.650 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.185 -6.256 -10.856 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.416 -6.443 -10.887 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.731 -3.516 -10.275 1.00 10.00 H new ATOM 0 HG22 VAL A 20 5.975 -4.936 -9.513 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.717 -3.673 -8.502 1.00 10.00 H new ATOM 312 N GLU A 21 10.554 -6.412 -7.885 1.00 10.00 N ATOM 313 CA GLU A 21 11.796 -7.237 -7.980 1.00 10.00 C ATOM 314 C GLU A 21 11.846 -8.230 -6.821 1.00 10.00 C ATOM 315 O GLU A 21 12.284 -9.353 -6.967 1.00 10.00 O ATOM 316 CB GLU A 21 12.967 -6.256 -7.878 1.00 10.00 C ATOM 317 CG GLU A 21 12.500 -4.850 -8.236 1.00 10.00 C ATOM 318 CD GLU A 21 13.673 -4.046 -8.797 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.725 -4.631 -8.994 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.499 -2.860 -9.022 1.00 10.00 O ATOM 0 H GLU A 21 10.646 -5.544 -7.357 1.00 10.00 H new ATOM 0 HA GLU A 21 11.831 -7.805 -8.910 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.374 -6.267 -6.867 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.770 -6.564 -8.548 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.696 -4.899 -8.970 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.096 -4.355 -7.353 1.00 10.00 H new ATOM 327 N VAL A 22 11.403 -7.817 -5.669 1.00 10.00 N ATOM 328 CA VAL A 22 11.427 -8.723 -4.489 1.00 10.00 C ATOM 329 C VAL A 22 10.314 -9.768 -4.599 1.00 10.00 C ATOM 330 O VAL A 22 10.516 -10.934 -4.322 1.00 10.00 O ATOM 331 CB VAL A 22 11.190 -7.811 -3.285 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.706 -8.498 -2.025 1.00 10.00 C ATOM 333 CG2 VAL A 22 11.939 -6.490 -3.480 1.00 10.00 C ATOM 0 H VAL A 22 11.024 -6.887 -5.493 1.00 10.00 H new ATOM 0 HA VAL A 22 12.367 -9.270 -4.408 1.00 10.00 H new ATOM 0 HB VAL A 22 10.123 -7.611 -3.189 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.539 -7.851 -1.164 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.175 -9.439 -1.880 1.00 10.00 H new ATOM 0 HG13 VAL A 22 12.773 -8.695 -2.129 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.767 -5.844 -2.619 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.006 -6.688 -3.577 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.578 -5.997 -4.382 1.00 10.00 H new ATOM 343 N LEU A 23A 9.142 -9.364 -5.002 1.00 10.00 N ATOM 344 CA LEU A 23A 8.022 -10.340 -5.127 1.00 10.00 C ATOM 345 C LEU A 23A 8.196 -11.182 -6.393 1.00 10.00 C ATOM 346 O LEU A 23A 7.810 -12.333 -6.442 1.00 10.00 O ATOM 347 CB LEU A 23A 6.757 -9.488 -5.220 1.00 10.00 C ATOM 348 CG LEU A 23A 6.413 -8.931 -3.837 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.733 -7.569 -3.989 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.463 -9.895 -3.123 1.00 10.00 C ATOM 0 H LEU A 23A 8.911 -8.402 -5.250 1.00 10.00 H new ATOM 0 HA LEU A 23A 7.983 -11.032 -4.286 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 6.907 -8.671 -5.926 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 5.929 -10.088 -5.598 1.00 10.00 H new ATOM 0 HG LEU A 23A 7.327 -8.818 -3.254 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.488 -7.173 -3.004 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 6.407 -6.881 -4.500 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 4.819 -7.682 -4.572 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 5.217 -9.500 -2.137 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 4.550 -10.006 -3.708 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 5.945 -10.867 -3.014 1.00 10.00 H new ATOM 362 N ARG A 24 8.773 -10.618 -7.420 1.00 10.00 N ATOM 363 CA ARG A 24 8.967 -11.390 -8.680 1.00 10.00 C ATOM 364 C ARG A 24 10.198 -12.294 -8.569 1.00 10.00 C ATOM 365 O ARG A 24 10.552 -12.991 -9.499 1.00 10.00 O ATOM 366 CB ARG A 24 9.172 -10.332 -9.763 1.00 10.00 C ATOM 367 CG ARG A 24 9.105 -10.991 -11.142 1.00 10.00 C ATOM 368 CD ARG A 24 7.973 -10.357 -11.953 1.00 10.00 C ATOM 369 NE ARG A 24 7.853 -11.201 -13.175 1.00 10.00 N ATOM 370 CZ ARG A 24 6.718 -11.779 -13.458 1.00 10.00 C ATOM 371 NH1 ARG A 24 5.658 -11.053 -13.695 1.00 10.00 N ATOM 372 NH2 ARG A 24 6.642 -13.081 -13.507 1.00 10.00 N ATOM 0 H ARG A 24 9.118 -9.658 -7.441 1.00 10.00 H new ATOM 0 HA ARG A 24 8.120 -12.040 -8.899 1.00 10.00 H new ATOM 0 HB2 ARG A 24 8.408 -9.559 -9.680 1.00 10.00 H new ATOM 0 HB3 ARG A 24 10.136 -9.842 -9.629 1.00 10.00 H new ATOM 0 HG2 ARG A 24 10.054 -10.867 -11.663 1.00 10.00 H new ATOM 0 HG3 ARG A 24 8.936 -12.063 -11.037 1.00 10.00 H new ATOM 0 HD2 ARG A 24 7.041 -10.346 -11.388 1.00 10.00 H new ATOM 0 HD3 ARG A 24 8.202 -9.323 -12.209 1.00 10.00 H new ATOM 0 HE ARG A 24 8.657 -11.327 -13.790 1.00 10.00 H new ATOM 0 HH11 ARG A 24 5.718 -10.035 -13.659 1.00 10.00 H new ATOM 0 HH12 ARG A 24 4.770 -11.504 -13.916 1.00 10.00 H new ATOM 0 HH21 ARG A 24 7.470 -13.647 -13.324 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.754 -13.532 -13.728 1.00 10.00 H new ATOM 386 N GLN A 25 10.852 -12.294 -7.438 1.00 10.00 N ATOM 387 CA GLN A 25 12.054 -13.159 -7.277 1.00 10.00 C ATOM 388 C GLN A 25 12.440 -13.274 -5.797 1.00 10.00 C ATOM 389 O GLN A 25 13.574 -13.550 -5.468 1.00 10.00 O ATOM 390 CB GLN A 25 13.158 -12.460 -8.082 1.00 10.00 C ATOM 391 CG GLN A 25 14.008 -11.580 -7.160 1.00 10.00 C ATOM 392 CD GLN A 25 14.821 -10.594 -8.001 1.00 10.00 C ATOM 393 OE1 GLN A 25 15.101 -10.848 -9.156 1.00 10.00 O ATOM 394 NE2 GLN A 25 15.216 -9.470 -7.467 1.00 10.00 N ATOM 0 H GLN A 25 10.606 -11.734 -6.622 1.00 10.00 H new ATOM 0 HA GLN A 25 11.880 -14.176 -7.629 1.00 10.00 H new ATOM 0 HB2 GLN A 25 13.788 -13.203 -8.570 1.00 10.00 H new ATOM 0 HB3 GLN A 25 12.714 -11.852 -8.870 1.00 10.00 H new ATOM 0 HG2 GLN A 25 13.367 -11.038 -6.464 1.00 10.00 H new ATOM 0 HG3 GLN A 25 14.675 -12.200 -6.562 1.00 10.00 H new ATOM 0 HE21 GLN A 25 14.982 -9.256 -6.498 1.00 10.00 H new ATOM 0 HE22 GLN A 25 15.759 -8.806 -8.019 1.00 10.00 H new ATOM 403 N GLN A 26 11.496 -13.065 -4.910 1.00 10.00 N ATOM 404 CA GLN A 26 11.784 -13.158 -3.442 1.00 10.00 C ATOM 405 C GLN A 26 13.269 -13.442 -3.191 1.00 10.00 C ATOM 406 O GLN A 26 13.651 -14.563 -2.919 1.00 10.00 O ATOM 407 CB GLN A 26 10.928 -14.323 -2.946 1.00 10.00 C ATOM 408 CG GLN A 26 9.507 -13.830 -2.666 1.00 10.00 C ATOM 409 CD GLN A 26 9.160 -14.083 -1.197 1.00 10.00 C ATOM 410 OE1 GLN A 26 8.188 -14.747 -0.895 1.00 10.00 O ATOM 411 NE2 GLN A 26 9.920 -13.577 -0.264 1.00 10.00 N ATOM 0 H GLN A 26 10.530 -12.832 -5.142 1.00 10.00 H new ATOM 0 HA GLN A 26 11.556 -12.226 -2.925 1.00 10.00 H new ATOM 0 HB2 GLN A 26 10.908 -15.117 -3.692 1.00 10.00 H new ATOM 0 HB3 GLN A 26 11.362 -14.747 -2.041 1.00 10.00 H new ATOM 0 HG2 GLN A 26 9.428 -12.766 -2.891 1.00 10.00 H new ATOM 0 HG3 GLN A 26 8.797 -14.346 -3.313 1.00 10.00 H new ATOM 0 HE21 GLN A 26 10.736 -13.020 -0.517 1.00 10.00 H new ATOM 0 HE22 GLN A 26 9.698 -13.739 0.718 1.00 10.00 H new ATOM 420 N PRO A 27 14.055 -12.408 -3.300 1.00 10.00 N ATOM 421 CA PRO A 27 15.517 -12.534 -3.095 1.00 10.00 C ATOM 422 C PRO A 27 15.838 -12.797 -1.621 1.00 10.00 C ATOM 423 O PRO A 27 15.424 -12.056 -0.753 1.00 10.00 O ATOM 424 CB PRO A 27 16.059 -11.176 -3.534 1.00 10.00 C ATOM 425 CG PRO A 27 14.911 -10.236 -3.366 1.00 10.00 C ATOM 426 CD PRO A 27 13.662 -11.035 -3.623 1.00 10.00 C ATOM 0 HA PRO A 27 15.954 -13.364 -3.650 1.00 10.00 H new ATOM 0 HB2 PRO A 27 16.910 -10.874 -2.924 1.00 10.00 H new ATOM 0 HB3 PRO A 27 16.401 -11.202 -4.569 1.00 10.00 H new ATOM 0 HG2 PRO A 27 14.901 -9.812 -2.362 1.00 10.00 H new ATOM 0 HG3 PRO A 27 14.988 -9.402 -4.063 1.00 10.00 H new ATOM 0 HD2 PRO A 27 12.835 -10.698 -2.998 1.00 10.00 H new ATOM 0 HD3 PRO A 27 13.335 -10.945 -4.659 1.00 10.00 H new ATOM 434 N PRO A 28 16.578 -13.849 -1.392 1.00 10.00 N ATOM 435 CA PRO A 28 16.971 -14.217 -0.011 1.00 10.00 C ATOM 436 C PRO A 28 17.971 -13.199 0.543 1.00 10.00 C ATOM 437 O PRO A 28 18.355 -13.251 1.695 1.00 10.00 O ATOM 438 CB PRO A 28 17.621 -15.589 -0.178 1.00 10.00 C ATOM 439 CG PRO A 28 18.088 -15.616 -1.596 1.00 10.00 C ATOM 440 CD PRO A 28 17.110 -14.785 -2.383 1.00 10.00 C ATOM 0 HA PRO A 28 16.134 -14.232 0.687 1.00 10.00 H new ATOM 0 HB2 PRO A 28 18.452 -15.721 0.515 1.00 10.00 H new ATOM 0 HB3 PRO A 28 16.910 -16.391 0.020 1.00 10.00 H new ATOM 0 HG2 PRO A 28 19.097 -15.212 -1.680 1.00 10.00 H new ATOM 0 HG3 PRO A 28 18.122 -16.638 -1.974 1.00 10.00 H new ATOM 0 HD2 PRO A 28 17.599 -14.263 -3.206 1.00 10.00 H new ATOM 0 HD3 PRO A 28 16.322 -15.399 -2.818 1.00 10.00 H new ATOM 448 N ASP A 29 18.391 -12.271 -0.273 1.00 10.00 N ATOM 449 CA ASP A 29 19.363 -11.241 0.195 1.00 10.00 C ATOM 450 C ASP A 29 18.706 -9.866 0.187 1.00 10.00 C ATOM 451 O ASP A 29 19.353 -8.850 0.030 1.00 10.00 O ATOM 452 CB ASP A 29 20.497 -11.288 -0.818 1.00 10.00 C ATOM 453 CG ASP A 29 21.755 -11.854 -0.159 1.00 10.00 C ATOM 454 OD1 ASP A 29 21.789 -13.051 0.076 1.00 10.00 O ATOM 455 OD2 ASP A 29 22.663 -11.082 0.100 1.00 10.00 O ATOM 0 H ASP A 29 18.102 -12.181 -1.247 1.00 10.00 H new ATOM 0 HA ASP A 29 19.711 -11.428 1.211 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.211 -11.906 -1.669 1.00 10.00 H new ATOM 0 HB3 ASP A 29 20.695 -10.288 -1.203 1.00 10.00 H new ATOM 460 N LEU A 30 17.421 -9.846 0.350 1.00 10.00 N ATOM 461 CA LEU A 30 16.666 -8.557 0.356 1.00 10.00 C ATOM 462 C LEU A 30 17.549 -7.422 0.880 1.00 10.00 C ATOM 463 O LEU A 30 17.936 -6.539 0.141 1.00 10.00 O ATOM 464 CB LEU A 30 15.486 -8.800 1.299 1.00 10.00 C ATOM 465 CG LEU A 30 14.516 -7.620 1.229 1.00 10.00 C ATOM 466 CD1 LEU A 30 14.251 -7.264 -0.233 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.197 -8.004 1.903 1.00 10.00 C ATOM 0 H LEU A 30 16.846 -10.678 0.482 1.00 10.00 H new ATOM 0 HA LEU A 30 16.341 -8.264 -0.642 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.973 -9.721 1.024 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.845 -8.928 2.320 1.00 10.00 H new ATOM 0 HG LEU A 30 14.952 -6.762 1.740 1.00 10.00 H new ATOM 0 HD11 LEU A 30 13.560 -6.423 -0.283 1.00 10.00 H new ATOM 0 HD12 LEU A 30 15.189 -6.992 -0.717 1.00 10.00 H new ATOM 0 HD13 LEU A 30 13.815 -8.123 -0.743 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.505 -7.163 1.854 1.00 10.00 H new ATOM 0 HD22 LEU A 30 12.763 -8.862 1.390 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.383 -8.260 2.946 1.00 10.00 H new ATOM 479 N VAL A 31 17.879 -7.442 2.143 1.00 10.00 N ATOM 480 CA VAL A 31 18.749 -6.366 2.700 1.00 10.00 C ATOM 481 C VAL A 31 19.820 -6.002 1.677 1.00 10.00 C ATOM 482 O VAL A 31 19.897 -4.887 1.201 1.00 10.00 O ATOM 483 CB VAL A 31 19.397 -6.981 3.936 1.00 10.00 C ATOM 484 CG1 VAL A 31 20.147 -5.896 4.712 1.00 10.00 C ATOM 485 CG2 VAL A 31 18.313 -7.588 4.828 1.00 10.00 C ATOM 0 H VAL A 31 17.585 -8.154 2.812 1.00 10.00 H new ATOM 0 HA VAL A 31 18.193 -5.460 2.939 1.00 10.00 H new ATOM 0 HB VAL A 31 20.097 -7.759 3.632 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.610 -6.335 5.596 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.918 -5.461 4.076 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.447 -5.118 5.018 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.774 -8.028 5.712 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.614 -6.809 5.133 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.777 -8.360 4.276 1.00 10.00 H new ATOM 495 N ASP A 32 20.638 -6.953 1.329 1.00 10.00 N ATOM 496 CA ASP A 32 21.702 -6.697 0.327 1.00 10.00 C ATOM 497 C ASP A 32 21.063 -6.257 -0.991 1.00 10.00 C ATOM 498 O ASP A 32 21.429 -5.250 -1.564 1.00 10.00 O ATOM 499 CB ASP A 32 22.405 -8.041 0.175 1.00 10.00 C ATOM 500 CG ASP A 32 23.900 -7.815 -0.060 1.00 10.00 C ATOM 501 OD1 ASP A 32 24.626 -7.725 0.917 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.294 -7.737 -1.211 1.00 10.00 O ATOM 0 H ASP A 32 20.613 -7.903 1.699 1.00 10.00 H new ATOM 0 HA ASP A 32 22.395 -5.909 0.621 1.00 10.00 H new ATOM 0 HB2 ASP A 32 22.255 -8.645 1.070 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.975 -8.595 -0.659 1.00 10.00 H new ATOM 507 N PHE A 33 20.098 -6.998 -1.470 1.00 10.00 N ATOM 508 CA PHE A 33 19.429 -6.609 -2.742 1.00 10.00 C ATOM 509 C PHE A 33 18.993 -5.146 -2.657 1.00 10.00 C ATOM 510 O PHE A 33 19.300 -4.343 -3.516 1.00 10.00 O ATOM 511 CB PHE A 33 18.212 -7.530 -2.857 1.00 10.00 C ATOM 512 CG PHE A 33 17.505 -7.266 -4.165 1.00 10.00 C ATOM 513 CD1 PHE A 33 18.195 -7.407 -5.376 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.160 -6.878 -4.167 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.539 -7.159 -6.588 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.504 -6.630 -5.380 1.00 10.00 C ATOM 517 CZ PHE A 33 16.194 -6.771 -6.590 1.00 10.00 C ATOM 0 H PHE A 33 19.747 -7.852 -1.036 1.00 10.00 H new ATOM 0 HA PHE A 33 20.084 -6.706 -3.608 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.525 -8.573 -2.804 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.532 -7.359 -2.022 1.00 10.00 H new ATOM 0 HD1 PHE A 33 19.233 -7.707 -5.375 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.628 -6.770 -3.233 1.00 10.00 H new ATOM 0 HE1 PHE A 33 18.071 -7.267 -7.522 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.466 -6.330 -5.382 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.688 -6.580 -7.525 1.00 10.00 H new ATOM 527 N ALA A 34 18.285 -4.795 -1.619 1.00 10.00 N ATOM 528 CA ALA A 34 17.832 -3.383 -1.463 1.00 10.00 C ATOM 529 C ALA A 34 19.027 -2.439 -1.577 1.00 10.00 C ATOM 530 O ALA A 34 18.899 -1.300 -1.978 1.00 10.00 O ATOM 531 CB ALA A 34 17.231 -3.314 -0.057 1.00 10.00 C ATOM 0 H ALA A 34 18.000 -5.426 -0.870 1.00 10.00 H new ATOM 0 HA ALA A 34 17.114 -3.089 -2.228 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.873 -2.303 0.136 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.399 -4.014 0.018 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.993 -3.576 0.678 1.00 10.00 H new ATOM 537 N VAL A 35 20.192 -2.908 -1.226 1.00 10.00 N ATOM 538 CA VAL A 35 21.397 -2.054 -1.309 1.00 10.00 C ATOM 539 C VAL A 35 21.987 -2.126 -2.718 1.00 10.00 C ATOM 540 O VAL A 35 22.174 -1.123 -3.376 1.00 10.00 O ATOM 541 CB VAL A 35 22.343 -2.664 -0.283 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.778 -2.276 -0.615 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.976 -2.143 1.105 1.00 10.00 C ATOM 0 H VAL A 35 20.356 -3.854 -0.883 1.00 10.00 H new ATOM 0 HA VAL A 35 21.199 -1.000 -1.112 1.00 10.00 H new ATOM 0 HB VAL A 35 22.255 -3.750 -0.302 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.453 -2.714 0.121 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.034 -2.646 -1.608 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.875 -1.191 -0.596 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.649 -2.575 1.846 1.00 10.00 H new ATOM 0 HG22 VAL A 35 22.067 -1.057 1.122 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.949 -2.424 1.340 1.00 10.00 H new ATOM 553 N GLU A 36 22.273 -3.308 -3.188 1.00 10.00 N ATOM 554 CA GLU A 36 22.842 -3.443 -4.557 1.00 10.00 C ATOM 555 C GLU A 36 22.004 -2.640 -5.554 1.00 10.00 C ATOM 556 O GLU A 36 22.517 -2.085 -6.501 1.00 10.00 O ATOM 557 CB GLU A 36 22.771 -4.937 -4.879 1.00 10.00 C ATOM 558 CG GLU A 36 23.388 -5.755 -3.737 1.00 10.00 C ATOM 559 CD GLU A 36 24.449 -4.923 -3.009 1.00 10.00 C ATOM 560 OE1 GLU A 36 25.327 -4.403 -3.677 1.00 10.00 O ATOM 561 OE2 GLU A 36 24.364 -4.822 -1.796 1.00 10.00 O ATOM 0 H GLU A 36 22.138 -4.185 -2.684 1.00 10.00 H new ATOM 0 HA GLU A 36 23.863 -3.066 -4.617 1.00 10.00 H new ATOM 0 HB2 GLU A 36 21.733 -5.235 -5.030 1.00 10.00 H new ATOM 0 HB3 GLU A 36 23.300 -5.141 -5.810 1.00 10.00 H new ATOM 0 HG2 GLU A 36 22.611 -6.061 -3.037 1.00 10.00 H new ATOM 0 HG3 GLU A 36 23.837 -6.666 -4.133 1.00 10.00 H new ATOM 568 N TYR A 37 20.717 -2.576 -5.348 1.00 10.00 N ATOM 569 CA TYR A 37 19.851 -1.807 -6.289 1.00 10.00 C ATOM 570 C TYR A 37 19.974 -0.305 -6.016 1.00 10.00 C ATOM 571 O TYR A 37 20.238 0.477 -6.907 1.00 10.00 O ATOM 572 CB TYR A 37 18.428 -2.291 -6.007 1.00 10.00 C ATOM 573 CG TYR A 37 17.458 -1.535 -6.883 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.346 -1.854 -8.242 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.672 -0.511 -6.337 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.448 -1.150 -9.055 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.774 0.191 -7.150 1.00 10.00 C ATOM 578 CZ TYR A 37 15.663 -0.128 -8.510 1.00 10.00 C ATOM 579 OH TYR A 37 14.779 0.565 -9.310 1.00 10.00 O ATOM 0 H TYR A 37 20.228 -3.021 -4.571 1.00 10.00 H new ATOM 0 HA TYR A 37 20.134 -1.963 -7.330 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.351 -3.361 -6.200 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.182 -2.138 -4.956 1.00 10.00 H new ATOM 0 HD1 TYR A 37 17.952 -2.643 -8.663 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.759 -0.264 -5.289 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.362 -1.396 -10.103 1.00 10.00 H new ATOM 0 HE2 TYR A 37 15.167 0.979 -6.729 1.00 10.00 H new ATOM 0 HH TYR A 37 14.312 1.240 -8.774 1.00 10.00 H new ATOM 589 N PHE A 38 19.783 0.103 -4.792 1.00 10.00 N ATOM 590 CA PHE A 38 19.887 1.555 -4.466 1.00 10.00 C ATOM 591 C PHE A 38 21.352 2.006 -4.507 1.00 10.00 C ATOM 592 O PHE A 38 21.705 2.931 -5.211 1.00 10.00 O ATOM 593 CB PHE A 38 19.321 1.686 -3.052 1.00 10.00 C ATOM 594 CG PHE A 38 17.815 1.580 -3.095 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.094 2.247 -4.092 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.140 0.815 -2.136 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.697 2.150 -4.131 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.744 0.717 -2.173 1.00 10.00 C ATOM 599 CZ PHE A 38 15.022 1.384 -3.171 1.00 10.00 C ATOM 0 H PHE A 38 19.560 -0.504 -4.004 1.00 10.00 H new ATOM 0 HA PHE A 38 19.346 2.178 -5.179 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.732 0.906 -2.412 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.616 2.642 -2.619 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.615 2.837 -4.832 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.697 0.300 -1.367 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.141 2.665 -4.900 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.224 0.127 -1.432 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.945 1.308 -3.201 1.00 10.00 H new ATOM 609 N THR A 39 22.207 1.362 -3.757 1.00 10.00 N ATOM 610 CA THR A 39 23.645 1.762 -3.760 1.00 10.00 C ATOM 611 C THR A 39 24.142 1.924 -5.198 1.00 10.00 C ATOM 612 O THR A 39 24.734 2.925 -5.548 1.00 10.00 O ATOM 613 CB THR A 39 24.384 0.626 -3.050 1.00 10.00 C ATOM 614 OG1 THR A 39 24.110 0.684 -1.656 1.00 10.00 O ATOM 615 CG2 THR A 39 25.888 0.768 -3.278 1.00 10.00 C ATOM 0 H THR A 39 21.973 0.580 -3.145 1.00 10.00 H new ATOM 0 HA THR A 39 23.809 2.717 -3.260 1.00 10.00 H new ATOM 0 HB THR A 39 24.047 -0.330 -3.451 1.00 10.00 H new ATOM 0 HG1 THR A 39 24.931 0.499 -1.153 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.411 -0.043 -2.771 1.00 10.00 H new ATOM 0 HG22 THR A 39 26.100 0.724 -4.346 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.228 1.724 -2.880 1.00 10.00 H new ATOM 623 N ARG A 40 23.901 0.955 -6.041 1.00 10.00 N ATOM 624 CA ARG A 40 24.358 1.081 -7.454 1.00 10.00 C ATOM 625 C ARG A 40 23.599 2.218 -8.139 1.00 10.00 C ATOM 626 O ARG A 40 24.128 2.909 -8.983 1.00 10.00 O ATOM 627 CB ARG A 40 24.021 -0.257 -8.112 1.00 10.00 C ATOM 628 CG ARG A 40 25.260 -1.155 -8.112 1.00 10.00 C ATOM 629 CD ARG A 40 25.561 -1.613 -6.684 1.00 10.00 C ATOM 630 NE ARG A 40 26.982 -2.059 -6.715 1.00 10.00 N ATOM 631 CZ ARG A 40 27.355 -2.993 -7.548 1.00 10.00 C ATOM 632 NH1 ARG A 40 26.617 -4.057 -7.709 1.00 10.00 N ATOM 633 NH2 ARG A 40 28.467 -2.863 -8.219 1.00 10.00 N ATOM 0 H ARG A 40 23.412 0.089 -5.814 1.00 10.00 H new ATOM 0 HA ARG A 40 25.422 1.306 -7.526 1.00 10.00 H new ATOM 0 HB2 ARG A 40 23.207 -0.743 -7.575 1.00 10.00 H new ATOM 0 HB3 ARG A 40 23.677 -0.095 -9.133 1.00 10.00 H new ATOM 0 HG2 ARG A 40 25.095 -2.020 -8.755 1.00 10.00 H new ATOM 0 HG3 ARG A 40 26.114 -0.614 -8.519 1.00 10.00 H new ATOM 0 HD2 ARG A 40 25.417 -0.802 -5.970 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.899 -2.424 -6.382 1.00 10.00 H new ATOM 0 HE ARG A 40 27.664 -1.635 -6.086 1.00 10.00 H new ATOM 0 HH11 ARG A 40 25.748 -4.159 -7.184 1.00 10.00 H new ATOM 0 HH12 ARG A 40 26.909 -4.786 -8.360 1.00 10.00 H new ATOM 0 HH21 ARG A 40 29.045 -2.032 -8.093 1.00 10.00 H new ATOM 0 HH22 ARG A 40 28.758 -3.593 -8.870 1.00 10.00 H new ATOM 647 N LEU A 41 22.360 2.415 -7.779 1.00 10.00 N ATOM 648 CA LEU A 41 21.562 3.508 -8.407 1.00 10.00 C ATOM 649 C LEU A 41 22.392 4.792 -8.489 1.00 10.00 C ATOM 650 O LEU A 41 22.577 5.357 -9.550 1.00 10.00 O ATOM 651 CB LEU A 41 20.362 3.704 -7.480 1.00 10.00 C ATOM 652 CG LEU A 41 19.108 3.966 -8.315 1.00 10.00 C ATOM 653 CD1 LEU A 41 19.382 5.099 -9.305 1.00 10.00 C ATOM 654 CD2 LEU A 41 18.734 2.697 -9.084 1.00 10.00 C ATOM 0 H LEU A 41 21.865 1.866 -7.076 1.00 10.00 H new ATOM 0 HA LEU A 41 21.257 3.263 -9.424 1.00 10.00 H new ATOM 0 HB2 LEU A 41 20.220 2.819 -6.860 1.00 10.00 H new ATOM 0 HB3 LEU A 41 20.543 4.540 -6.805 1.00 10.00 H new ATOM 0 HG LEU A 41 18.286 4.249 -7.657 1.00 10.00 H new ATOM 0 HD11 LEU A 41 18.488 5.286 -9.900 1.00 10.00 H new ATOM 0 HD12 LEU A 41 19.650 6.003 -8.758 1.00 10.00 H new ATOM 0 HD13 LEU A 41 20.204 4.816 -9.963 1.00 10.00 H new ATOM 0 HD21 LEU A 41 17.840 2.883 -9.680 1.00 10.00 H new ATOM 0 HD22 LEU A 41 19.556 2.415 -9.742 1.00 10.00 H new ATOM 0 HD23 LEU A 41 18.539 1.889 -8.379 1.00 10.00 H new ATOM 666 N ARG A 42 22.892 5.259 -7.379 1.00 10.00 N ATOM 667 CA ARG A 42 23.706 6.508 -7.394 1.00 10.00 C ATOM 668 C ARG A 42 24.799 6.420 -8.465 1.00 10.00 C ATOM 669 O ARG A 42 25.167 7.408 -9.070 1.00 10.00 O ATOM 670 CB ARG A 42 24.328 6.591 -6.000 1.00 10.00 C ATOM 671 CG ARG A 42 23.836 7.860 -5.299 1.00 10.00 C ATOM 672 CD ARG A 42 23.084 7.480 -4.023 1.00 10.00 C ATOM 673 NE ARG A 42 23.383 8.576 -3.061 1.00 10.00 N ATOM 674 CZ ARG A 42 22.955 9.786 -3.297 1.00 10.00 C ATOM 675 NH1 ARG A 42 21.790 9.968 -3.856 1.00 10.00 N ATOM 676 NH2 ARG A 42 23.692 10.814 -2.975 1.00 10.00 N ATOM 0 H ARG A 42 22.772 4.830 -6.461 1.00 10.00 H new ATOM 0 HA ARG A 42 23.106 7.387 -7.627 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.057 5.711 -5.416 1.00 10.00 H new ATOM 0 HB3 ARG A 42 25.415 6.602 -6.075 1.00 10.00 H new ATOM 0 HG2 ARG A 42 24.681 8.505 -5.057 1.00 10.00 H new ATOM 0 HG3 ARG A 42 23.183 8.425 -5.964 1.00 10.00 H new ATOM 0 HD2 ARG A 42 22.013 7.396 -4.206 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.418 6.516 -3.640 1.00 10.00 H new ATOM 0 HE ARG A 42 23.922 8.381 -2.217 1.00 10.00 H new ATOM 0 HH11 ARG A 42 21.214 9.165 -4.108 1.00 10.00 H new ATOM 0 HH12 ARG A 42 21.455 10.914 -4.041 1.00 10.00 H new ATOM 0 HH21 ARG A 42 24.603 10.672 -2.539 1.00 10.00 H new ATOM 0 HH22 ARG A 42 23.357 11.760 -3.160 1.00 10.00 H new ATOM 690 N GLU A 43 25.323 5.249 -8.701 1.00 10.00 N ATOM 691 CA GLU A 43 26.394 5.104 -9.731 1.00 10.00 C ATOM 692 C GLU A 43 25.863 4.350 -10.952 1.00 10.00 C ATOM 693 O GLU A 43 26.585 4.091 -11.894 1.00 10.00 O ATOM 694 CB GLU A 43 27.496 4.299 -9.044 1.00 10.00 C ATOM 695 CG GLU A 43 27.918 5.002 -7.753 1.00 10.00 C ATOM 696 CD GLU A 43 29.048 4.215 -7.087 1.00 10.00 C ATOM 697 OE1 GLU A 43 28.818 3.070 -6.735 1.00 10.00 O ATOM 698 OE2 GLU A 43 30.124 4.772 -6.940 1.00 10.00 O ATOM 0 H GLU A 43 25.057 4.386 -8.226 1.00 10.00 H new ATOM 0 HA GLU A 43 26.753 6.069 -10.088 1.00 10.00 H new ATOM 0 HB2 GLU A 43 27.140 3.293 -8.822 1.00 10.00 H new ATOM 0 HB3 GLU A 43 28.353 4.195 -9.710 1.00 10.00 H new ATOM 0 HG2 GLU A 43 28.248 6.018 -7.971 1.00 10.00 H new ATOM 0 HG3 GLU A 43 27.068 5.081 -7.075 1.00 10.00 H new ATOM 915 N LEU B 11 8.988 -8.502 4.847 1.00 10.00 N ATOM 916 CA LEU B 11 9.202 -7.303 3.989 1.00 10.00 C ATOM 917 C LEU B 11 8.576 -6.067 4.641 1.00 10.00 C ATOM 918 O LEU B 11 9.067 -4.965 4.504 1.00 10.00 O ATOM 919 CB LEU B 11 8.498 -7.628 2.672 1.00 10.00 C ATOM 920 CG LEU B 11 9.537 -7.772 1.558 1.00 10.00 C ATOM 921 CD1 LEU B 11 9.163 -8.951 0.660 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.570 -6.489 0.726 1.00 10.00 C ATOM 0 HA LEU B 11 10.260 -7.084 3.843 1.00 10.00 H new ATOM 0 HB2 LEU B 11 7.926 -8.551 2.771 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.789 -6.839 2.422 1.00 10.00 H new ATOM 0 HG LEU B 11 10.519 -7.948 1.997 1.00 10.00 H new ATOM 0 HD11 LEU B 11 9.903 -9.053 -0.133 1.00 10.00 H new ATOM 0 HD12 LEU B 11 9.137 -9.866 1.252 1.00 10.00 H new ATOM 0 HD13 LEU B 11 8.181 -8.776 0.220 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.310 -6.589 -0.068 1.00 10.00 H new ATOM 0 HD22 LEU B 11 8.588 -6.315 0.287 1.00 10.00 H new ATOM 0 HD23 LEU B 11 9.836 -5.647 1.365 1.00 10.00 H new ATOM 934 N THR B 12 7.494 -6.243 5.349 1.00 10.00 N ATOM 935 CA THR B 12 6.836 -5.078 6.007 1.00 10.00 C ATOM 936 C THR B 12 7.840 -4.321 6.878 1.00 10.00 C ATOM 937 O THR B 12 8.284 -3.243 6.538 1.00 10.00 O ATOM 938 CB THR B 12 5.728 -5.685 6.870 1.00 10.00 C ATOM 939 OG1 THR B 12 4.775 -6.322 6.032 1.00 10.00 O ATOM 940 CG2 THR B 12 5.043 -4.579 7.675 1.00 10.00 C ATOM 0 H THR B 12 7.037 -7.142 5.500 1.00 10.00 H new ATOM 0 HA THR B 12 6.445 -4.363 5.283 1.00 10.00 H new ATOM 0 HB THR B 12 6.158 -6.416 7.554 1.00 10.00 H new ATOM 0 HG1 THR B 12 4.065 -6.713 6.583 1.00 10.00 H new ATOM 0 HG21 THR B 12 4.254 -5.012 8.290 1.00 10.00 H new ATOM 0 HG22 THR B 12 5.775 -4.089 8.317 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.611 -3.847 6.993 1.00 10.00 H new ATOM 948 N GLU B 13 8.196 -4.881 8.000 1.00 10.00 N ATOM 949 CA GLU B 13 9.171 -4.204 8.905 1.00 10.00 C ATOM 950 C GLU B 13 10.247 -3.484 8.085 1.00 10.00 C ATOM 951 O GLU B 13 10.623 -2.367 8.382 1.00 10.00 O ATOM 952 CB GLU B 13 9.789 -5.333 9.733 1.00 10.00 C ATOM 953 CG GLU B 13 11.154 -4.896 10.271 1.00 10.00 C ATOM 954 CD GLU B 13 11.286 -5.320 11.733 1.00 10.00 C ATOM 955 OE1 GLU B 13 11.390 -6.512 11.977 1.00 10.00 O ATOM 956 OE2 GLU B 13 11.283 -4.448 12.586 1.00 10.00 O ATOM 0 H GLU B 13 7.853 -5.782 8.332 1.00 10.00 H new ATOM 0 HA GLU B 13 8.697 -3.449 9.533 1.00 10.00 H new ATOM 0 HB2 GLU B 13 9.128 -5.593 10.560 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.899 -6.227 9.120 1.00 10.00 H new ATOM 0 HG2 GLU B 13 11.951 -5.345 9.678 1.00 10.00 H new ATOM 0 HG3 GLU B 13 11.262 -3.815 10.184 1.00 10.00 H new ATOM 963 N LEU B 14 10.740 -4.115 7.057 1.00 10.00 N ATOM 964 CA LEU B 14 11.788 -3.467 6.218 1.00 10.00 C ATOM 965 C LEU B 14 11.205 -2.251 5.494 1.00 10.00 C ATOM 966 O LEU B 14 11.648 -1.134 5.677 1.00 10.00 O ATOM 967 CB LEU B 14 12.210 -4.539 5.214 1.00 10.00 C ATOM 968 CG LEU B 14 13.674 -4.910 5.451 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.749 -6.264 6.155 1.00 10.00 C ATOM 970 CD2 LEU B 14 14.398 -4.994 4.106 1.00 10.00 C ATOM 0 H LEU B 14 10.463 -5.051 6.761 1.00 10.00 H new ATOM 0 HA LEU B 14 12.631 -3.110 6.810 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.578 -5.421 5.320 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.077 -4.172 4.196 1.00 10.00 H new ATOM 0 HG LEU B 14 14.147 -4.151 6.074 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.793 -6.529 6.324 1.00 10.00 H new ATOM 0 HD12 LEU B 14 13.230 -6.206 7.112 1.00 10.00 H new ATOM 0 HD13 LEU B 14 13.278 -7.025 5.532 1.00 10.00 H new ATOM 0 HD21 LEU B 14 15.443 -5.258 4.271 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.925 -5.755 3.485 1.00 10.00 H new ATOM 0 HD23 LEU B 14 14.343 -4.029 3.602 1.00 10.00 H new ATOM 982 N LEU B 15 10.214 -2.460 4.672 1.00 10.00 N ATOM 983 CA LEU B 15 9.601 -1.317 3.936 1.00 10.00 C ATOM 984 C LEU B 15 8.869 -0.390 4.908 1.00 10.00 C ATOM 985 O LEU B 15 9.197 0.774 5.031 1.00 10.00 O ATOM 986 CB LEU B 15 8.616 -1.959 2.958 1.00 10.00 C ATOM 987 CG LEU B 15 9.287 -2.153 1.595 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.755 -2.542 1.790 1.00 10.00 C ATOM 989 CD2 LEU B 15 8.565 -3.264 0.829 1.00 10.00 C ATOM 0 H LEU B 15 9.802 -3.372 4.478 1.00 10.00 H new ATOM 0 HA LEU B 15 10.346 -0.709 3.423 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.278 -2.920 3.347 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.733 -1.329 2.852 1.00 10.00 H new ATOM 0 HG LEU B 15 9.234 -1.222 1.031 1.00 10.00 H new ATOM 0 HD11 LEU B 15 11.227 -2.679 0.817 1.00 10.00 H new ATOM 0 HD12 LEU B 15 11.271 -1.753 2.336 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.813 -3.472 2.355 1.00 10.00 H new ATOM 0 HD21 LEU B 15 9.040 -3.405 -0.142 1.00 10.00 H new ATOM 0 HD22 LEU B 15 8.619 -4.192 1.397 1.00 10.00 H new ATOM 0 HD23 LEU B 15 7.521 -2.987 0.685 1.00 10.00 H new ATOM 1001 N GLN B 16 7.882 -0.894 5.599 1.00 10.00 N ATOM 1002 CA GLN B 16 7.137 -0.033 6.563 1.00 10.00 C ATOM 1003 C GLN B 16 8.112 0.898 7.284 1.00 10.00 C ATOM 1004 O GLN B 16 7.865 2.078 7.435 1.00 10.00 O ATOM 1005 CB GLN B 16 6.490 -1.005 7.548 1.00 10.00 C ATOM 1006 CG GLN B 16 5.063 -0.547 7.855 1.00 10.00 C ATOM 1007 CD GLN B 16 4.659 -1.037 9.247 1.00 10.00 C ATOM 1008 OE1 GLN B 16 5.503 -1.293 10.083 1.00 10.00 O ATOM 1009 NE2 GLN B 16 3.393 -1.180 9.534 1.00 10.00 N ATOM 0 H GLN B 16 7.560 -1.860 5.538 1.00 10.00 H new ATOM 0 HA GLN B 16 6.394 0.596 6.073 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.478 -2.011 7.128 1.00 10.00 H new ATOM 0 HB3 GLN B 16 7.074 -1.051 8.467 1.00 10.00 H new ATOM 0 HG2 GLN B 16 5.000 0.540 7.808 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.375 -0.939 7.106 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.684 -0.965 8.833 1.00 10.00 H new ATOM 0 HE22 GLN B 16 3.113 -1.506 10.459 1.00 10.00 H new ATOM 1018 N GLY B 17 9.229 0.379 7.719 1.00 10.00 N ATOM 1019 CA GLY B 17 10.222 1.241 8.413 1.00 10.00 C ATOM 1020 C GLY B 17 10.574 2.414 7.498 1.00 10.00 C ATOM 1021 O GLY B 17 10.306 3.557 7.807 1.00 10.00 O ATOM 0 H GLY B 17 9.494 -0.601 7.623 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.813 1.606 9.355 1.00 10.00 H new ATOM 0 HA3 GLY B 17 11.117 0.668 8.655 1.00 10.00 H new ATOM 1025 N TYR B 18 11.162 2.135 6.365 1.00 10.00 N ATOM 1026 CA TYR B 18 11.518 3.230 5.423 1.00 10.00 C ATOM 1027 C TYR B 18 10.358 4.221 5.313 1.00 10.00 C ATOM 1028 O TYR B 18 10.503 5.398 5.578 1.00 10.00 O ATOM 1029 CB TYR B 18 11.751 2.532 4.085 1.00 10.00 C ATOM 1030 CG TYR B 18 12.882 3.211 3.361 1.00 10.00 C ATOM 1031 CD1 TYR B 18 14.100 3.425 4.015 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.715 3.630 2.035 1.00 10.00 C ATOM 1033 CE1 TYR B 18 15.151 4.061 3.345 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.765 4.266 1.365 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.985 4.481 2.020 1.00 10.00 C ATOM 1036 OH TYR B 18 16.019 5.106 1.359 1.00 10.00 O ATOM 0 H TYR B 18 11.410 1.196 6.053 1.00 10.00 H new ATOM 0 HA TYR B 18 12.392 3.794 5.749 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.987 1.480 4.247 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.844 2.566 3.481 1.00 10.00 H new ATOM 0 HD1 TYR B 18 14.229 3.099 5.037 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.775 3.462 1.530 1.00 10.00 H new ATOM 0 HE1 TYR B 18 16.091 4.228 3.850 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.636 4.591 0.343 1.00 10.00 H new ATOM 0 HH TYR B 18 16.361 5.842 1.908 1.00 10.00 H new ATOM 1046 N THR B 19 9.207 3.750 4.922 1.00 10.00 N ATOM 1047 CA THR B 19 8.031 4.654 4.790 1.00 10.00 C ATOM 1048 C THR B 19 7.925 5.573 6.010 1.00 10.00 C ATOM 1049 O THR B 19 7.471 6.695 5.915 1.00 10.00 O ATOM 1050 CB THR B 19 6.822 3.718 4.718 1.00 10.00 C ATOM 1051 OG1 THR B 19 7.272 2.377 4.579 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.951 4.095 3.519 1.00 10.00 C ATOM 0 H THR B 19 9.030 2.773 4.687 1.00 10.00 H new ATOM 0 HA THR B 19 8.103 5.300 3.915 1.00 10.00 H new ATOM 0 HB THR B 19 6.235 3.812 5.631 1.00 10.00 H new ATOM 0 HG1 THR B 19 6.547 1.824 4.221 1.00 10.00 H new ATOM 0 HG21 THR B 19 5.091 3.427 3.470 1.00 10.00 H new ATOM 0 HG22 THR B 19 5.606 5.123 3.629 1.00 10.00 H new ATOM 0 HG23 THR B 19 6.534 4.004 2.603 1.00 10.00 H new ATOM 1060 N VAL B 20 8.339 5.105 7.156 1.00 10.00 N ATOM 1061 CA VAL B 20 8.256 5.954 8.379 1.00 10.00 C ATOM 1062 C VAL B 20 9.508 6.828 8.509 1.00 10.00 C ATOM 1063 O VAL B 20 9.484 7.873 9.127 1.00 10.00 O ATOM 1064 CB VAL B 20 8.172 4.966 9.543 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.297 5.723 10.865 1.00 10.00 C ATOM 1066 CG2 VAL B 20 6.826 4.240 9.497 1.00 10.00 C ATOM 0 H VAL B 20 8.730 4.174 7.298 1.00 10.00 H new ATOM 0 HA VAL B 20 7.401 6.629 8.352 1.00 10.00 H new ATOM 0 HB VAL B 20 8.981 4.240 9.463 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.237 5.019 11.695 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.255 6.242 10.898 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.488 6.449 10.946 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.764 3.535 10.326 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.018 4.967 9.578 1.00 10.00 H new ATOM 0 HG23 VAL B 20 6.736 3.700 8.554 1.00 10.00 H new ATOM 1076 N GLU B 21 10.600 6.413 7.927 1.00 10.00 N ATOM 1077 CA GLU B 21 11.846 7.231 8.021 1.00 10.00 C ATOM 1078 C GLU B 21 11.898 8.229 6.868 1.00 10.00 C ATOM 1079 O GLU B 21 12.348 9.347 7.016 1.00 10.00 O ATOM 1080 CB GLU B 21 13.013 6.244 7.911 1.00 10.00 C ATOM 1081 CG GLU B 21 12.538 4.840 8.268 1.00 10.00 C ATOM 1082 CD GLU B 21 13.709 4.026 8.820 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.782 4.589 8.961 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.514 2.852 9.090 1.00 10.00 O ATOM 0 H GLU B 21 10.685 5.548 7.393 1.00 10.00 H new ATOM 0 HA GLU B 21 11.886 7.794 8.953 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.416 6.255 6.898 1.00 10.00 H new ATOM 0 HB3 GLU B 21 13.820 6.545 8.579 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.739 4.893 9.007 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.125 4.350 7.386 1.00 10.00 H new ATOM 1091 N VAL B 22 11.443 7.826 5.716 1.00 10.00 N ATOM 1092 CA VAL B 22 11.466 8.738 4.540 1.00 10.00 C ATOM 1093 C VAL B 22 10.359 9.788 4.660 1.00 10.00 C ATOM 1094 O VAL B 22 10.564 10.954 4.386 1.00 10.00 O ATOM 1095 CB VAL B 22 11.220 7.834 3.333 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.743 8.522 2.075 1.00 10.00 C ATOM 1097 CG2 VAL B 22 11.959 6.506 3.520 1.00 10.00 C ATOM 0 H VAL B 22 11.054 6.900 5.537 1.00 10.00 H new ATOM 0 HA VAL B 22 12.408 9.281 4.458 1.00 10.00 H new ATOM 0 HB VAL B 22 10.151 7.644 3.238 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.570 7.881 1.211 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.222 9.469 1.935 1.00 10.00 H new ATOM 0 HG13 VAL B 22 12.812 8.709 2.180 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.780 5.865 2.657 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.028 6.695 3.616 1.00 10.00 H new ATOM 0 HG23 VAL B 22 11.596 6.011 4.421 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.186 9.387 5.067 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.071 10.367 5.203 1.00 10.00 C ATOM 1109 C LEU B 23B 8.254 11.202 6.473 1.00 10.00 C ATOM 1110 O LEU B 23B 7.873 12.353 6.530 1.00 10.00 O ATOM 1111 CB LEU B 23B 6.802 9.519 5.297 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.447 8.975 3.913 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.744 7.625 4.059 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 5.516 9.959 3.203 1.00 10.00 C ATOM 0 H LEU B 23B 8.951 8.425 5.311 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.032 11.064 4.366 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 6.953 8.696 5.995 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 5.979 10.119 5.685 1.00 10.00 H new ATOM 0 HG LEU B 23B 7.358 8.848 3.328 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.491 7.238 3.072 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 6.406 6.923 4.566 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 4.833 7.751 4.644 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 5.262 9.572 2.216 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 4.605 10.085 3.788 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 6.016 10.922 3.098 1.00 10.00 H new ATOM 1126 N ARG B 24 8.834 10.629 7.494 1.00 10.00 N ATOM 1127 CA ARG B 24 9.037 11.393 8.757 1.00 10.00 C ATOM 1128 C ARG B 24 10.272 12.292 8.647 1.00 10.00 C ATOM 1129 O ARG B 24 10.633 12.983 9.579 1.00 10.00 O ATOM 1130 CB ARG B 24 9.243 10.327 9.833 1.00 10.00 C ATOM 1131 CG ARG B 24 9.183 10.978 11.217 1.00 10.00 C ATOM 1132 CD ARG B 24 8.046 10.351 12.027 1.00 10.00 C ATOM 1133 NE ARG B 24 7.926 11.202 13.243 1.00 10.00 N ATOM 1134 CZ ARG B 24 6.786 11.771 13.531 1.00 10.00 C ATOM 1135 NH1 ARG B 24 5.731 11.038 13.762 1.00 10.00 N ATOM 1136 NH2 ARG B 24 6.704 13.072 13.588 1.00 10.00 N ATOM 0 H ARG B 24 9.175 9.668 7.507 1.00 10.00 H new ATOM 0 HA ARG B 24 8.194 12.046 8.983 1.00 10.00 H new ATOM 0 HB2 ARG B 24 8.476 9.557 9.748 1.00 10.00 H new ATOM 0 HB3 ARG B 24 10.205 9.835 9.693 1.00 10.00 H new ATOM 0 HG2 ARG B 24 10.132 10.842 11.736 1.00 10.00 H new ATOM 0 HG3 ARG B 24 9.025 12.052 11.119 1.00 10.00 H new ATOM 0 HD2 ARG B 24 7.116 10.340 11.459 1.00 10.00 H new ATOM 0 HD3 ARG B 24 8.271 9.317 12.289 1.00 10.00 H new ATOM 0 HE ARG B 24 8.733 11.341 13.851 1.00 10.00 H new ATOM 0 HH11 ARG B 24 5.797 10.021 13.718 1.00 10.00 H new ATOM 0 HH12 ARG B 24 4.841 11.482 13.987 1.00 10.00 H new ATOM 0 HH21 ARG B 24 7.529 13.643 13.408 1.00 10.00 H new ATOM 0 HH22 ARG B 24 5.814 13.518 13.813 1.00 10.00 H new ATOM 1150 N GLN B 25 10.924 12.292 7.514 1.00 10.00 N ATOM 1151 CA GLN B 25 12.131 13.152 7.354 1.00 10.00 C ATOM 1152 C GLN B 25 12.511 13.270 5.873 1.00 10.00 C ATOM 1153 O GLN B 25 13.648 13.538 5.541 1.00 10.00 O ATOM 1154 CB GLN B 25 13.233 12.444 8.153 1.00 10.00 C ATOM 1155 CG GLN B 25 14.077 11.565 7.225 1.00 10.00 C ATOM 1156 CD GLN B 25 14.883 10.566 8.058 1.00 10.00 C ATOM 1157 OE1 GLN B 25 15.149 10.801 9.221 1.00 10.00 O ATOM 1158 NE2 GLN B 25 15.287 9.452 7.510 1.00 10.00 N ATOM 0 H GLN B 25 10.674 11.736 6.696 1.00 10.00 H new ATOM 0 HA GLN B 25 11.966 14.169 7.711 1.00 10.00 H new ATOM 0 HB2 GLN B 25 13.868 13.182 8.644 1.00 10.00 H new ATOM 0 HB3 GLN B 25 12.788 11.834 8.939 1.00 10.00 H new ATOM 0 HG2 GLN B 25 13.432 11.034 6.525 1.00 10.00 H new ATOM 0 HG3 GLN B 25 14.749 12.185 6.632 1.00 10.00 H new ATOM 0 HE21 GLN B 25 15.065 9.254 6.535 1.00 10.00 H new ATOM 0 HE22 GLN B 25 15.825 8.780 8.057 1.00 10.00 H new ATOM 1167 N GLN B 26 11.563 13.074 4.988 1.00 10.00 N ATOM 1168 CA GLN B 26 11.847 13.173 3.519 1.00 10.00 C ATOM 1169 C GLN B 26 13.331 13.449 3.264 1.00 10.00 C ATOM 1170 O GLN B 26 13.720 14.569 2.999 1.00 10.00 O ATOM 1171 CB GLN B 26 10.996 14.346 3.033 1.00 10.00 C ATOM 1172 CG GLN B 26 9.569 13.864 2.762 1.00 10.00 C ATOM 1173 CD GLN B 26 9.209 14.132 1.300 1.00 10.00 C ATOM 1174 OE1 GLN B 26 8.245 14.814 1.014 1.00 10.00 O ATOM 1175 NE2 GLN B 26 9.947 13.616 0.357 1.00 10.00 N ATOM 0 H GLN B 26 10.596 12.848 5.222 1.00 10.00 H new ATOM 0 HA GLN B 26 11.612 12.245 2.998 1.00 10.00 H new ATOM 0 HB2 GLN B 26 10.988 15.138 3.782 1.00 10.00 H new ATOM 0 HB3 GLN B 26 11.426 14.770 2.126 1.00 10.00 H new ATOM 0 HG2 GLN B 26 9.486 12.799 2.979 1.00 10.00 H new ATOM 0 HG3 GLN B 26 8.869 14.378 3.420 1.00 10.00 H new ATOM 0 HE21 GLN B 26 10.756 13.044 0.598 1.00 10.00 H new ATOM 0 HE22 GLN B 26 9.715 13.785 -0.622 1.00 10.00 H new ATOM 1184 N PRO B 27 14.112 12.409 3.364 1.00 10.00 N ATOM 1185 CA PRO B 27 15.574 12.528 3.154 1.00 10.00 C ATOM 1186 C PRO B 27 15.893 12.798 1.682 1.00 10.00 C ATOM 1187 O PRO B 27 15.474 12.063 0.810 1.00 10.00 O ATOM 1188 CB PRO B 27 16.109 11.164 3.584 1.00 10.00 C ATOM 1189 CG PRO B 27 14.954 10.232 3.413 1.00 10.00 C ATOM 1190 CD PRO B 27 13.711 11.037 3.681 1.00 10.00 C ATOM 0 HA PRO B 27 16.017 13.353 3.712 1.00 10.00 H new ATOM 0 HB2 PRO B 27 16.957 10.860 2.971 1.00 10.00 H new ATOM 0 HB3 PRO B 27 16.454 11.182 4.618 1.00 10.00 H new ATOM 0 HG2 PRO B 27 14.937 9.816 2.406 1.00 10.00 H new ATOM 0 HG3 PRO B 27 15.028 9.392 4.103 1.00 10.00 H new ATOM 0 HD2 PRO B 27 12.879 10.709 3.058 1.00 10.00 H new ATOM 0 HD3 PRO B 27 13.389 10.943 4.718 1.00 10.00 H new ATOM 1198 N PRO B 28 16.633 13.850 1.456 1.00 10.00 N ATOM 1199 CA PRO B 28 17.024 14.226 0.077 1.00 10.00 C ATOM 1200 C PRO B 28 18.015 13.207 -0.487 1.00 10.00 C ATOM 1201 O PRO B 28 18.394 13.262 -1.641 1.00 10.00 O ATOM 1202 CB PRO B 28 17.682 15.594 0.250 1.00 10.00 C ATOM 1203 CG PRO B 28 18.151 15.611 1.668 1.00 10.00 C ATOM 1204 CD PRO B 28 17.173 14.778 2.452 1.00 10.00 C ATOM 0 HA PRO B 28 16.185 14.251 -0.618 1.00 10.00 H new ATOM 0 HB2 PRO B 28 18.513 15.725 -0.444 1.00 10.00 H new ATOM 0 HB3 PRO B 28 16.975 16.401 0.057 1.00 10.00 H new ATOM 0 HG2 PRO B 28 19.159 15.204 1.748 1.00 10.00 H new ATOM 0 HG3 PRO B 28 18.188 16.630 2.052 1.00 10.00 H new ATOM 0 HD2 PRO B 28 17.663 14.248 3.269 1.00 10.00 H new ATOM 0 HD3 PRO B 28 16.388 15.392 2.895 1.00 10.00 H new ATOM 1212 N ASP B 29 18.437 12.273 0.323 1.00 10.00 N ATOM 1213 CA ASP B 29 19.403 11.243 -0.154 1.00 10.00 C ATOM 1214 C ASP B 29 18.741 9.872 -0.152 1.00 10.00 C ATOM 1215 O ASP B 29 19.385 8.852 -0.007 1.00 10.00 O ATOM 1216 CB ASP B 29 20.539 11.280 0.854 1.00 10.00 C ATOM 1217 CG ASP B 29 21.805 11.823 0.187 1.00 10.00 C ATOM 1218 OD1 ASP B 29 21.845 13.011 -0.083 1.00 10.00 O ATOM 1219 OD2 ASP B 29 22.712 11.040 -0.043 1.00 10.00 O ATOM 0 H ASP B 29 18.153 12.179 1.298 1.00 10.00 H new ATOM 0 HA ASP B 29 19.749 11.434 -1.170 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.265 11.908 1.702 1.00 10.00 H new ATOM 0 HB3 ASP B 29 20.723 10.279 1.245 1.00 10.00 H new ATOM 1224 N LEU B 30 17.456 9.858 -0.308 1.00 10.00 N ATOM 1225 CA LEU B 30 16.695 8.571 -0.317 1.00 10.00 C ATOM 1226 C LEU B 30 17.570 7.436 -0.852 1.00 10.00 C ATOM 1227 O LEU B 30 17.954 6.544 -0.121 1.00 10.00 O ATOM 1228 CB LEU B 30 15.511 8.826 -1.253 1.00 10.00 C ATOM 1229 CG LEU B 30 14.538 7.648 -1.188 1.00 10.00 C ATOM 1230 CD1 LEU B 30 14.279 7.282 0.273 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.218 8.041 -1.854 1.00 10.00 C ATOM 0 H LEU B 30 16.883 10.693 -0.432 1.00 10.00 H new ATOM 0 HA LEU B 30 16.374 8.273 0.681 1.00 10.00 H new ATOM 0 HB2 LEU B 30 15.002 9.747 -0.968 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.866 8.961 -2.275 1.00 10.00 H new ATOM 0 HG LEU B 30 14.968 6.792 -1.708 1.00 10.00 H new ATOM 0 HD11 LEU B 30 13.586 6.442 0.320 1.00 10.00 H new ATOM 0 HD12 LEU B 30 15.219 7.004 0.751 1.00 10.00 H new ATOM 0 HD13 LEU B 30 13.848 8.138 0.792 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.524 7.202 -1.808 1.00 10.00 H new ATOM 0 HD22 LEU B 30 12.788 8.897 -1.333 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.400 8.305 -2.896 1.00 10.00 H new ATOM 1243 N VAL B 31 17.900 7.465 -2.116 1.00 10.00 N ATOM 1244 CA VAL B 31 18.764 6.388 -2.683 1.00 10.00 C ATOM 1245 C VAL B 31 19.837 6.014 -1.665 1.00 10.00 C ATOM 1246 O VAL B 31 19.909 4.895 -1.196 1.00 10.00 O ATOM 1247 CB VAL B 31 19.412 7.010 -3.916 1.00 10.00 C ATOM 1248 CG1 VAL B 31 20.160 5.930 -4.700 1.00 10.00 C ATOM 1249 CG2 VAL B 31 18.326 7.624 -4.801 1.00 10.00 C ATOM 0 H VAL B 31 17.610 8.185 -2.778 1.00 10.00 H new ATOM 0 HA VAL B 31 18.203 5.486 -2.927 1.00 10.00 H new ATOM 0 HB VAL B 31 20.114 7.785 -3.608 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.623 6.375 -5.581 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.931 5.490 -4.068 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.459 5.155 -5.011 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.785 8.070 -5.684 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.626 6.848 -5.109 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.793 8.393 -4.242 1.00 10.00 H new ATOM 1259 N ASP B 32 20.659 6.958 -1.315 1.00 10.00 N ATOM 1260 CA ASP B 32 21.725 6.689 -0.318 1.00 10.00 C ATOM 1261 C ASP B 32 21.088 6.245 1.000 1.00 10.00 C ATOM 1262 O ASP B 32 21.449 5.231 1.563 1.00 10.00 O ATOM 1263 CB ASP B 32 22.437 8.030 -0.162 1.00 10.00 C ATOM 1264 CG ASP B 32 23.934 7.795 0.049 1.00 10.00 C ATOM 1265 OD1 ASP B 32 24.644 7.702 -0.939 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.345 7.714 1.195 1.00 10.00 O ATOM 0 H ASP B 32 20.638 7.911 -1.679 1.00 10.00 H new ATOM 0 HA ASP B 32 22.412 5.898 -0.618 1.00 10.00 H new ATOM 0 HB2 ASP B 32 22.276 8.644 -1.048 1.00 10.00 H new ATOM 0 HB3 ASP B 32 22.022 8.577 0.684 1.00 10.00 H new ATOM 1271 N PHE B 33 20.130 6.989 1.488 1.00 10.00 N ATOM 1272 CA PHE B 33 19.462 6.593 2.760 1.00 10.00 C ATOM 1273 C PHE B 33 19.021 5.132 2.668 1.00 10.00 C ATOM 1274 O PHE B 33 19.327 4.322 3.521 1.00 10.00 O ATOM 1275 CB PHE B 33 18.250 7.517 2.882 1.00 10.00 C ATOM 1276 CG PHE B 33 17.544 7.249 4.190 1.00 10.00 C ATOM 1277 CD1 PHE B 33 18.237 7.376 5.400 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.195 6.870 4.193 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.583 7.123 6.612 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.541 6.617 5.404 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.235 6.744 6.614 1.00 10.00 C ATOM 0 H PHE B 33 19.784 7.849 1.063 1.00 10.00 H new ATOM 0 HA PHE B 33 20.119 6.682 3.625 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.567 8.559 2.834 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.568 7.353 2.048 1.00 10.00 H new ATOM 0 HD1 PHE B 33 19.276 7.669 5.399 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.660 6.773 3.260 1.00 10.00 H new ATOM 0 HE1 PHE B 33 18.118 7.220 7.545 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.502 6.324 5.406 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.730 6.550 7.549 1.00 10.00 H new ATOM 1291 N ALA B 34 18.308 4.790 1.630 1.00 10.00 N ATOM 1292 CA ALA B 34 17.850 3.380 1.465 1.00 10.00 C ATOM 1293 C ALA B 34 19.043 2.430 1.571 1.00 10.00 C ATOM 1294 O ALA B 34 18.911 1.290 1.971 1.00 10.00 O ATOM 1295 CB ALA B 34 17.246 3.322 0.060 1.00 10.00 C ATOM 0 H ALA B 34 18.022 5.427 0.887 1.00 10.00 H new ATOM 0 HA ALA B 34 17.132 3.084 2.230 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.884 2.313 -0.139 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.416 4.025 -0.009 1.00 10.00 H new ATOM 0 HB3 ALA B 34 18.007 3.586 -0.674 1.00 10.00 H new ATOM 1301 N VAL B 35 20.206 2.895 1.214 1.00 10.00 N ATOM 1302 CA VAL B 35 21.410 2.036 1.288 1.00 10.00 C ATOM 1303 C VAL B 35 22.003 2.099 2.697 1.00 10.00 C ATOM 1304 O VAL B 35 22.196 1.090 3.345 1.00 10.00 O ATOM 1305 CB VAL B 35 22.357 2.649 0.263 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.791 2.261 0.596 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.993 2.132 -1.127 1.00 10.00 C ATOM 0 H VAL B 35 20.372 3.842 0.872 1.00 10.00 H new ATOM 0 HA VAL B 35 21.209 0.984 1.084 1.00 10.00 H new ATOM 0 HB VAL B 35 22.267 3.735 0.284 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.467 2.700 -0.138 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.046 2.629 1.590 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.888 1.176 0.575 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.667 2.567 -1.865 1.00 10.00 H new ATOM 0 HG22 VAL B 35 22.085 1.046 -1.147 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.967 2.413 -1.363 1.00 10.00 H new ATOM 1317 N GLU B 36 22.285 3.278 3.178 1.00 10.00 N ATOM 1318 CA GLU B 36 22.859 3.403 4.547 1.00 10.00 C ATOM 1319 C GLU B 36 22.020 2.597 5.541 1.00 10.00 C ATOM 1320 O GLU B 36 22.535 2.025 6.478 1.00 10.00 O ATOM 1321 CB GLU B 36 22.794 4.896 4.879 1.00 10.00 C ATOM 1322 CG GLU B 36 23.411 5.717 3.740 1.00 10.00 C ATOM 1323 CD GLU B 36 24.464 4.883 3.003 1.00 10.00 C ATOM 1324 OE1 GLU B 36 25.345 4.360 3.664 1.00 10.00 O ATOM 1325 OE2 GLU B 36 24.370 4.783 1.790 1.00 10.00 O ATOM 0 H GLU B 36 22.143 4.159 2.683 1.00 10.00 H new ATOM 0 HA GLU B 36 23.879 3.022 4.602 1.00 10.00 H new ATOM 0 HB2 GLU B 36 21.758 5.197 5.035 1.00 10.00 H new ATOM 0 HB3 GLU B 36 23.326 5.093 5.809 1.00 10.00 H new ATOM 0 HG2 GLU B 36 22.633 6.032 3.045 1.00 10.00 H new ATOM 0 HG3 GLU B 36 23.867 6.623 4.139 1.00 10.00 H new ATOM 1332 N TYR B 37 20.730 2.546 5.346 1.00 10.00 N ATOM 1333 CA TYR B 37 19.865 1.775 6.285 1.00 10.00 C ATOM 1334 C TYR B 37 19.981 0.274 6.004 1.00 10.00 C ATOM 1335 O TYR B 37 20.235 -0.515 6.893 1.00 10.00 O ATOM 1336 CB TYR B 37 18.443 2.263 6.009 1.00 10.00 C ATOM 1337 CG TYR B 37 17.473 1.506 6.883 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.353 1.830 8.240 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.694 0.477 6.337 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.454 1.126 9.051 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.795 -0.227 7.148 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.675 0.098 8.506 1.00 10.00 C ATOM 1343 OH TYR B 37 14.790 -0.597 9.305 1.00 10.00 O ATOM 0 H TYR B 37 20.238 3.004 4.579 1.00 10.00 H new ATOM 0 HA TYR B 37 20.153 1.926 7.326 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.369 3.332 6.207 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.194 2.115 4.958 1.00 10.00 H new ATOM 0 HD1 TYR B 37 17.954 2.623 8.661 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.787 0.227 5.291 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.362 1.376 10.098 1.00 10.00 H new ATOM 0 HE2 TYR B 37 15.195 -1.020 6.727 1.00 10.00 H new ATOM 0 HH TYR B 37 14.329 -1.275 8.769 1.00 10.00 H new ATOM 1353 N PHE B 38 19.794 -0.127 4.777 1.00 10.00 N ATOM 1354 CA PHE B 38 19.891 -1.578 4.445 1.00 10.00 C ATOM 1355 C PHE B 38 21.354 -2.035 4.478 1.00 10.00 C ATOM 1356 O PHE B 38 21.707 -2.962 5.180 1.00 10.00 O ATOM 1357 CB PHE B 38 19.318 -1.703 3.032 1.00 10.00 C ATOM 1358 CG PHE B 38 17.814 -1.588 3.082 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.092 -2.256 4.078 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.139 -0.814 2.129 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.696 -2.150 4.123 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.743 -0.709 2.174 1.00 10.00 C ATOM 1363 CZ PHE B 38 15.022 -1.377 3.170 1.00 10.00 C ATOM 0 H PHE B 38 19.579 0.485 3.990 1.00 10.00 H new ATOM 0 HA PHE B 38 19.351 -2.200 5.158 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.731 -0.924 2.391 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.605 -2.660 2.596 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.612 -2.854 4.812 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.695 -0.298 1.360 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.140 -2.664 4.893 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.223 -0.112 1.440 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.946 -1.296 3.204 1.00 10.00 H new ATOM 1373 N THR B 39 22.209 -1.395 3.724 1.00 10.00 N ATOM 1374 CA THR B 39 23.646 -1.801 3.722 1.00 10.00 C ATOM 1375 C THR B 39 24.145 -1.976 5.157 1.00 10.00 C ATOM 1376 O THR B 39 24.728 -2.986 5.500 1.00 10.00 O ATOM 1377 CB THR B 39 24.388 -0.660 3.023 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.103 -0.695 1.631 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.892 -0.820 3.237 1.00 10.00 C ATOM 0 H THR B 39 21.976 -0.613 3.112 1.00 10.00 H new ATOM 0 HA THR B 39 23.805 -2.752 3.214 1.00 10.00 H new ATOM 0 HB THR B 39 24.062 0.293 3.440 1.00 10.00 H new ATOM 0 HG1 THR B 39 24.933 -0.572 1.124 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.419 -0.006 2.738 1.00 10.00 H new ATOM 0 HG22 THR B 39 26.112 -0.795 4.304 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.219 -1.773 2.821 1.00 10.00 H new ATOM 1387 N ARG B 40 23.916 -1.012 6.007 1.00 10.00 N ATOM 1388 CA ARG B 40 24.377 -1.151 7.417 1.00 10.00 C ATOM 1389 C ARG B 40 23.615 -2.291 8.094 1.00 10.00 C ATOM 1390 O ARG B 40 24.150 -3.005 8.914 1.00 10.00 O ATOM 1391 CB ARG B 40 24.046 0.182 8.088 1.00 10.00 C ATOM 1392 CG ARG B 40 25.286 1.079 8.086 1.00 10.00 C ATOM 1393 CD ARG B 40 25.585 1.541 6.659 1.00 10.00 C ATOM 1394 NE ARG B 40 27.009 1.978 6.689 1.00 10.00 N ATOM 1395 CZ ARG B 40 27.386 2.916 7.515 1.00 10.00 C ATOM 1396 NH1 ARG B 40 26.644 3.977 7.681 1.00 10.00 N ATOM 1397 NH2 ARG B 40 28.505 2.793 8.175 1.00 10.00 N ATOM 0 H ARG B 40 23.433 -0.141 5.788 1.00 10.00 H new ATOM 0 HA ARG B 40 25.441 -1.379 7.484 1.00 10.00 H new ATOM 0 HB2 ARG B 40 23.228 0.673 7.560 1.00 10.00 H new ATOM 0 HB3 ARG B 40 23.709 0.012 9.111 1.00 10.00 H new ATOM 0 HG2 ARG B 40 25.123 1.942 8.732 1.00 10.00 H new ATOM 0 HG3 ARG B 40 26.141 0.536 8.489 1.00 10.00 H new ATOM 0 HD2 ARG B 40 25.434 0.734 5.942 1.00 10.00 H new ATOM 0 HD3 ARG B 40 24.927 2.358 6.362 1.00 10.00 H new ATOM 0 HE ARG B 40 27.689 1.545 6.064 1.00 10.00 H new ATOM 0 HH11 ARG B 40 25.769 4.073 7.165 1.00 10.00 H new ATOM 0 HH12 ARG B 40 26.939 4.710 8.326 1.00 10.00 H new ATOM 0 HH21 ARG B 40 29.085 1.964 8.045 1.00 10.00 H new ATOM 0 HH22 ARG B 40 28.800 3.526 8.820 1.00 10.00 H new ATOM 1411 N LEU B 41 22.367 -2.467 7.752 1.00 10.00 N ATOM 1412 CA LEU B 41 21.568 -3.561 8.373 1.00 10.00 C ATOM 1413 C LEU B 41 22.394 -4.848 8.445 1.00 10.00 C ATOM 1414 O LEU B 41 22.581 -5.419 9.502 1.00 10.00 O ATOM 1415 CB LEU B 41 20.365 -3.747 7.446 1.00 10.00 C ATOM 1416 CG LEU B 41 19.111 -4.008 8.282 1.00 10.00 C ATOM 1417 CD1 LEU B 41 19.380 -5.145 9.269 1.00 10.00 C ATOM 1418 CD2 LEU B 41 18.741 -2.740 9.054 1.00 10.00 C ATOM 0 H LEU B 41 21.866 -1.899 7.068 1.00 10.00 H new ATOM 0 HA LEU B 41 21.265 -3.323 9.393 1.00 10.00 H new ATOM 0 HB2 LEU B 41 20.226 -2.858 6.831 1.00 10.00 H new ATOM 0 HB3 LEU B 41 20.542 -4.581 6.766 1.00 10.00 H new ATOM 0 HG LEU B 41 18.288 -4.287 7.624 1.00 10.00 H new ATOM 0 HD11 LEU B 41 18.486 -5.330 9.864 1.00 10.00 H new ATOM 0 HD12 LEU B 41 19.644 -6.049 8.720 1.00 10.00 H new ATOM 0 HD13 LEU B 41 20.203 -4.868 9.928 1.00 10.00 H new ATOM 0 HD21 LEU B 41 17.847 -2.925 9.650 1.00 10.00 H new ATOM 0 HD22 LEU B 41 19.564 -2.461 9.711 1.00 10.00 H new ATOM 0 HD23 LEU B 41 18.547 -1.930 8.351 1.00 10.00 H new ATOM 1430 N ARG B 42 22.887 -5.311 7.330 1.00 10.00 N ATOM 1431 CA ARG B 42 23.698 -6.563 7.335 1.00 10.00 C ATOM 1432 C ARG B 42 24.795 -6.483 8.401 1.00 10.00 C ATOM 1433 O ARG B 42 25.169 -7.475 8.995 1.00 10.00 O ATOM 1434 CB ARG B 42 24.311 -6.643 5.938 1.00 10.00 C ATOM 1435 CG ARG B 42 23.813 -7.906 5.236 1.00 10.00 C ATOM 1436 CD ARG B 42 23.056 -7.520 3.965 1.00 10.00 C ATOM 1437 NE ARG B 42 23.351 -8.613 2.996 1.00 10.00 N ATOM 1438 CZ ARG B 42 22.910 -9.820 3.223 1.00 10.00 C ATOM 1439 NH1 ARG B 42 21.743 -9.995 3.778 1.00 10.00 N ATOM 1440 NH2 ARG B 42 23.637 -10.853 2.894 1.00 10.00 N ATOM 0 H ARG B 42 22.764 -4.877 6.415 1.00 10.00 H new ATOM 0 HA ARG B 42 23.097 -7.442 7.567 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.039 -5.761 5.359 1.00 10.00 H new ATOM 0 HB3 ARG B 42 25.399 -6.657 6.007 1.00 10.00 H new ATOM 0 HG2 ARG B 42 24.655 -8.553 4.988 1.00 10.00 H new ATOM 0 HG3 ARG B 42 23.162 -8.472 5.902 1.00 10.00 H new ATOM 0 HD2 ARG B 42 21.986 -7.437 4.153 1.00 10.00 H new ATOM 0 HD3 ARG B 42 23.389 -6.554 3.585 1.00 10.00 H new ATOM 0 HE ARG B 42 23.897 -8.418 2.157 1.00 10.00 H new ATOM 0 HH11 ARG B 42 21.174 -9.188 4.035 1.00 10.00 H new ATOM 0 HH12 ARG B 42 21.399 -10.939 3.955 1.00 10.00 H new ATOM 0 HH21 ARG B 42 24.550 -10.717 2.460 1.00 10.00 H new ATOM 0 HH22 ARG B 42 23.292 -11.796 3.071 1.00 10.00 H new