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 K(o=0,f=-0.87) USER MOD Single : A 18 TYR OH : rot 150:sc= -1.72 USER MOD Single : A 19 THR OG1 : rot -160:sc= -3.5! USER MOD Single : A 25 GLN : amide:sc= -6.13! C(o=-6.1!,f=-6.2!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -128:sc= -4.49! USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : B 18 TYR OH : rot 150:sc= -1.55 USER MOD Single : B 19 THR OG1 : rot 41:sc= -4.02! USER MOD Single : B 25 GLN : amide:sc= -6.24! C(o=-6.2!,f=-6.4!) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot -129:sc= -4.51! USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 11 7.156 7.933 -3.313 1.00 10.00 N ATOM 152 CA LEU A 11 8.091 6.846 -2.911 1.00 10.00 C ATOM 153 C LEU A 11 7.469 5.480 -3.211 1.00 10.00 C ATOM 154 O LEU A 11 8.125 4.580 -3.696 1.00 10.00 O ATOM 155 CB LEU A 11 8.292 7.027 -1.407 1.00 10.00 C ATOM 156 CG LEU A 11 9.064 5.834 -0.843 1.00 10.00 C ATOM 157 CD1 LEU A 11 10.214 5.472 -1.787 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.631 6.201 0.530 1.00 10.00 C ATOM 0 HA LEU A 11 9.035 6.892 -3.453 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.837 7.950 -1.212 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.326 7.116 -0.909 1.00 10.00 H new ATOM 0 HG LEU A 11 8.393 4.981 -0.747 1.00 10.00 H new ATOM 0 HD11 LEU A 11 10.763 4.621 -1.383 1.00 10.00 H new ATOM 0 HD12 LEU A 11 9.813 5.212 -2.767 1.00 10.00 H new ATOM 0 HD13 LEU A 11 10.887 6.324 -1.885 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.182 5.352 0.935 1.00 10.00 H new ATOM 0 HD22 LEU A 11 10.301 7.055 0.430 1.00 10.00 H new ATOM 0 HD23 LEU A 11 8.814 6.458 1.204 1.00 10.00 H new ATOM 170 N THR A 12 6.205 5.320 -2.932 1.00 10.00 N ATOM 171 CA THR A 12 5.540 4.014 -3.205 1.00 10.00 C ATOM 172 C THR A 12 6.006 3.458 -4.555 1.00 10.00 C ATOM 173 O THR A 12 6.006 2.264 -4.780 1.00 10.00 O ATOM 174 CB THR A 12 4.042 4.330 -3.235 1.00 10.00 C ATOM 175 OG1 THR A 12 3.529 4.308 -1.910 1.00 10.00 O ATOM 176 CG2 THR A 12 3.311 3.288 -4.084 1.00 10.00 C ATOM 0 H THR A 12 5.603 6.037 -2.527 1.00 10.00 H new ATOM 0 HA THR A 12 5.779 3.261 -2.454 1.00 10.00 H new ATOM 0 HB THR A 12 3.889 5.318 -3.670 1.00 10.00 H new ATOM 0 HG1 THR A 12 2.571 4.512 -1.927 1.00 10.00 H new ATOM 0 HG21 THR A 12 2.245 3.517 -4.103 1.00 10.00 H new ATOM 0 HG22 THR A 12 3.704 3.306 -5.101 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.462 2.298 -3.654 1.00 10.00 H new ATOM 184 N GLU A 13 6.404 4.316 -5.454 1.00 10.00 N ATOM 185 CA GLU A 13 6.870 3.840 -6.789 1.00 10.00 C ATOM 186 C GLU A 13 8.192 3.080 -6.649 1.00 10.00 C ATOM 187 O GLU A 13 8.264 1.891 -6.890 1.00 10.00 O ATOM 188 CB GLU A 13 7.067 5.112 -7.616 1.00 10.00 C ATOM 189 CG GLU A 13 7.670 4.751 -8.976 1.00 10.00 C ATOM 190 CD GLU A 13 6.570 4.230 -9.902 1.00 10.00 C ATOM 191 OE1 GLU A 13 5.410 4.469 -9.604 1.00 10.00 O ATOM 192 OE2 GLU A 13 6.903 3.602 -10.893 1.00 10.00 O ATOM 0 H GLU A 13 6.427 5.327 -5.322 1.00 10.00 H new ATOM 0 HA GLU A 13 6.160 3.157 -7.255 1.00 10.00 H new ATOM 0 HB2 GLU A 13 6.113 5.620 -7.753 1.00 10.00 H new ATOM 0 HB3 GLU A 13 7.723 5.804 -7.088 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.147 5.626 -9.418 1.00 10.00 H new ATOM 0 HG3 GLU A 13 8.444 3.994 -8.853 1.00 10.00 H new ATOM 199 N LEU A 14 9.239 3.757 -6.265 1.00 10.00 N ATOM 200 CA LEU A 14 10.554 3.072 -6.111 1.00 10.00 C ATOM 201 C LEU A 14 10.374 1.740 -5.376 1.00 10.00 C ATOM 202 O LEU A 14 10.952 0.735 -5.742 1.00 10.00 O ATOM 203 CB LEU A 14 11.408 4.034 -5.284 1.00 10.00 C ATOM 204 CG LEU A 14 11.725 5.278 -6.116 1.00 10.00 C ATOM 205 CD1 LEU A 14 12.652 6.202 -5.323 1.00 10.00 C ATOM 206 CD2 LEU A 14 12.417 4.860 -7.416 1.00 10.00 C ATOM 0 H LEU A 14 9.241 4.754 -6.051 1.00 10.00 H new ATOM 0 HA LEU A 14 11.016 2.843 -7.071 1.00 10.00 H new ATOM 0 HB2 LEU A 14 10.879 4.317 -4.374 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.332 3.544 -4.976 1.00 10.00 H new ATOM 0 HG LEU A 14 10.799 5.803 -6.348 1.00 10.00 H new ATOM 0 HD11 LEU A 14 12.877 7.088 -5.917 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.162 6.501 -4.396 1.00 10.00 H new ATOM 0 HD13 LEU A 14 13.578 5.676 -5.090 1.00 10.00 H new ATOM 0 HD21 LEU A 14 12.643 5.746 -8.009 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.343 4.334 -7.183 1.00 10.00 H new ATOM 0 HD23 LEU A 14 11.759 4.202 -7.983 1.00 10.00 H new ATOM 218 N LEU A 15 9.576 1.723 -4.344 1.00 10.00 N ATOM 219 CA LEU A 15 9.356 0.460 -3.589 1.00 10.00 C ATOM 220 C LEU A 15 8.737 -0.600 -4.501 1.00 10.00 C ATOM 221 O LEU A 15 9.381 -1.560 -4.878 1.00 10.00 O ATOM 222 CB LEU A 15 8.382 0.839 -2.475 1.00 10.00 C ATOM 223 CG LEU A 15 8.209 -0.341 -1.521 1.00 10.00 C ATOM 224 CD1 LEU A 15 7.474 -1.476 -2.235 1.00 10.00 C ATOM 225 CD2 LEU A 15 9.585 -0.829 -1.062 1.00 10.00 C ATOM 0 H LEU A 15 9.066 2.533 -3.991 1.00 10.00 H new ATOM 0 HA LEU A 15 10.284 0.041 -3.200 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.755 1.707 -1.932 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.419 1.120 -2.901 1.00 10.00 H new ATOM 0 HG LEU A 15 7.627 -0.025 -0.655 1.00 10.00 H new ATOM 0 HD11 LEU A 15 7.352 -2.317 -1.552 1.00 10.00 H new ATOM 0 HD12 LEU A 15 6.494 -1.127 -2.560 1.00 10.00 H new ATOM 0 HD13 LEU A 15 8.052 -1.794 -3.103 1.00 10.00 H new ATOM 0 HD21 LEU A 15 9.464 -1.671 -0.381 1.00 10.00 H new ATOM 0 HD22 LEU A 15 10.167 -1.144 -1.928 1.00 10.00 H new ATOM 0 HD23 LEU A 15 10.106 -0.020 -0.550 1.00 10.00 H new ATOM 237 N GLN A 16 7.488 -0.437 -4.852 1.00 10.00 N ATOM 238 CA GLN A 16 6.824 -1.438 -5.737 1.00 10.00 C ATOM 239 C GLN A 16 7.806 -1.928 -6.802 1.00 10.00 C ATOM 240 O GLN A 16 7.724 -3.045 -7.270 1.00 10.00 O ATOM 241 CB GLN A 16 5.659 -0.688 -6.383 1.00 10.00 C ATOM 242 CG GLN A 16 4.336 -1.274 -5.884 1.00 10.00 C ATOM 243 CD GLN A 16 3.169 -0.556 -6.565 1.00 10.00 C ATOM 244 OE1 GLN A 16 3.256 -0.187 -7.719 1.00 10.00 O ATOM 245 NE2 GLN A 16 2.070 -0.342 -5.893 1.00 10.00 N ATOM 0 H GLN A 16 6.900 0.345 -4.564 1.00 10.00 H new ATOM 0 HA GLN A 16 6.485 -2.316 -5.188 1.00 10.00 H new ATOM 0 HB2 GLN A 16 5.715 0.373 -6.138 1.00 10.00 H new ATOM 0 HB3 GLN A 16 5.718 -0.768 -7.468 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.295 -2.342 -6.099 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.263 -1.164 -4.802 1.00 10.00 H new ATOM 0 HE21 GLN A 16 1.996 -0.652 -4.924 1.00 10.00 H new ATOM 0 HE22 GLN A 16 1.285 0.135 -6.337 1.00 10.00 H new ATOM 254 N GLY A 17 8.740 -1.101 -7.180 1.00 10.00 N ATOM 255 CA GLY A 17 9.731 -1.519 -8.208 1.00 10.00 C ATOM 256 C GLY A 17 10.809 -2.383 -7.550 1.00 10.00 C ATOM 257 O GLY A 17 11.211 -3.401 -8.079 1.00 10.00 O ATOM 0 H GLY A 17 8.859 -0.154 -6.821 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.235 -2.078 -9.002 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.184 -0.642 -8.671 1.00 10.00 H new ATOM 261 N TYR A 18 11.278 -1.991 -6.395 1.00 10.00 N ATOM 262 CA TYR A 18 12.323 -2.789 -5.707 1.00 10.00 C ATOM 263 C TYR A 18 11.721 -4.104 -5.200 1.00 10.00 C ATOM 264 O TYR A 18 12.326 -5.156 -5.296 1.00 10.00 O ATOM 265 CB TYR A 18 12.777 -1.879 -4.564 1.00 10.00 C ATOM 266 CG TYR A 18 12.821 -2.647 -3.275 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.576 -3.818 -3.194 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.114 -2.183 -2.163 1.00 10.00 C ATOM 269 CE1 TYR A 18 13.628 -4.536 -1.994 1.00 10.00 C ATOM 270 CE2 TYR A 18 12.162 -2.898 -0.959 1.00 10.00 C ATOM 271 CZ TYR A 18 12.921 -4.075 -0.874 1.00 10.00 C ATOM 272 OH TYR A 18 12.970 -4.779 0.311 1.00 10.00 O ATOM 0 H TYR A 18 10.979 -1.150 -5.901 1.00 10.00 H new ATOM 0 HA TYR A 18 13.157 -3.075 -6.347 1.00 10.00 H new ATOM 0 HB2 TYR A 18 13.763 -1.469 -4.785 1.00 10.00 H new ATOM 0 HB3 TYR A 18 12.095 -1.034 -4.469 1.00 10.00 H new ATOM 0 HD1 TYR A 18 14.120 -4.170 -4.058 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.532 -1.276 -2.231 1.00 10.00 H new ATOM 0 HE1 TYR A 18 14.211 -5.443 -1.931 1.00 10.00 H new ATOM 0 HE2 TYR A 18 11.615 -2.544 -0.098 1.00 10.00 H new ATOM 0 HH TYR A 18 12.867 -4.160 1.064 1.00 10.00 H new ATOM 282 N THR A 19 10.527 -4.059 -4.674 1.00 10.00 N ATOM 283 CA THR A 19 9.887 -5.310 -4.179 1.00 10.00 C ATOM 284 C THR A 19 9.590 -6.241 -5.359 1.00 10.00 C ATOM 285 O THR A 19 9.628 -7.449 -5.236 1.00 10.00 O ATOM 286 CB THR A 19 8.588 -4.853 -3.510 1.00 10.00 C ATOM 287 OG1 THR A 19 8.876 -4.373 -2.204 1.00 10.00 O ATOM 288 CG2 THR A 19 7.612 -6.026 -3.421 1.00 10.00 C ATOM 0 H THR A 19 9.969 -3.212 -4.566 1.00 10.00 H new ATOM 0 HA THR A 19 10.524 -5.861 -3.487 1.00 10.00 H new ATOM 0 HB THR A 19 8.136 -4.056 -4.101 1.00 10.00 H new ATOM 0 HG1 THR A 19 8.057 -4.380 -1.665 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.689 -5.696 -2.944 1.00 10.00 H new ATOM 0 HG22 THR A 19 7.392 -6.393 -4.423 1.00 10.00 H new ATOM 0 HG23 THR A 19 8.059 -6.827 -2.832 1.00 10.00 H new ATOM 296 N VAL A 20 9.300 -5.685 -6.505 1.00 10.00 N ATOM 297 CA VAL A 20 9.006 -6.536 -7.693 1.00 10.00 C ATOM 298 C VAL A 20 10.280 -7.250 -8.154 1.00 10.00 C ATOM 299 O VAL A 20 10.229 -8.308 -8.747 1.00 10.00 O ATOM 300 CB VAL A 20 8.511 -5.566 -8.767 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.598 -6.234 -10.140 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.056 -5.190 -8.478 1.00 10.00 C ATOM 0 H VAL A 20 9.254 -4.679 -6.669 1.00 10.00 H new ATOM 0 HA VAL A 20 8.268 -7.309 -7.477 1.00 10.00 H new ATOM 0 HB VAL A 20 9.131 -4.669 -8.760 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.245 -5.542 -10.904 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.633 -6.506 -10.347 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.978 -7.131 -10.148 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.700 -4.499 -9.242 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.439 -6.089 -8.487 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.991 -4.714 -7.499 1.00 10.00 H new ATOM 312 N GLU A 21 11.424 -6.684 -7.876 1.00 10.00 N ATOM 313 CA GLU A 21 12.699 -7.349 -8.292 1.00 10.00 C ATOM 314 C GLU A 21 12.976 -8.529 -7.368 1.00 10.00 C ATOM 315 O GLU A 21 13.569 -9.516 -7.754 1.00 10.00 O ATOM 316 CB GLU A 21 13.810 -6.305 -8.134 1.00 10.00 C ATOM 317 CG GLU A 21 13.230 -4.897 -8.215 1.00 10.00 C ATOM 318 CD GLU A 21 14.280 -3.942 -8.786 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.531 -4.014 -9.977 1.00 10.00 O ATOM 320 OE2 GLU A 21 14.814 -3.157 -8.021 1.00 10.00 O ATOM 0 H GLU A 21 11.534 -5.798 -7.383 1.00 10.00 H new ATOM 0 HA GLU A 21 12.642 -7.714 -9.318 1.00 10.00 H new ATOM 0 HB2 GLU A 21 14.315 -6.443 -7.178 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.560 -6.442 -8.913 1.00 10.00 H new ATOM 0 HG2 GLU A 21 12.341 -4.895 -8.845 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.920 -4.563 -7.225 1.00 10.00 H new ATOM 327 N VAL A 22 12.554 -8.422 -6.140 1.00 10.00 N ATOM 328 CA VAL A 22 12.793 -9.522 -5.166 1.00 10.00 C ATOM 329 C VAL A 22 11.823 -10.681 -5.420 1.00 10.00 C ATOM 330 O VAL A 22 12.072 -11.805 -5.034 1.00 10.00 O ATOM 331 CB VAL A 22 12.539 -8.901 -3.790 1.00 10.00 C ATOM 332 CG1 VAL A 22 13.351 -9.655 -2.742 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.969 -7.431 -3.794 1.00 10.00 C ATOM 0 H VAL A 22 12.052 -7.616 -5.767 1.00 10.00 H new ATOM 0 HA VAL A 22 13.800 -9.930 -5.249 1.00 10.00 H new ATOM 0 HB VAL A 22 11.476 -8.966 -3.557 1.00 10.00 H new ATOM 0 HG11 VAL A 22 13.174 -9.217 -1.760 1.00 10.00 H new ATOM 0 HG12 VAL A 22 13.049 -10.702 -2.732 1.00 10.00 H new ATOM 0 HG13 VAL A 22 14.411 -9.586 -2.984 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.785 -6.996 -2.812 1.00 10.00 H new ATOM 0 HG22 VAL A 22 14.031 -7.363 -4.028 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.397 -6.887 -4.545 1.00 10.00 H new ATOM 343 N LEU A 23A 10.718 -10.415 -6.060 1.00 10.00 N ATOM 344 CA LEU A 23A 9.733 -11.503 -6.331 1.00 10.00 C ATOM 345 C LEU A 23A 10.036 -12.178 -7.672 1.00 10.00 C ATOM 346 O LEU A 23A 9.703 -13.326 -7.886 1.00 10.00 O ATOM 347 CB LEU A 23A 8.374 -10.802 -6.374 1.00 10.00 C ATOM 348 CG LEU A 23A 7.825 -10.624 -4.951 1.00 10.00 C ATOM 349 CD1 LEU A 23A 8.963 -10.695 -3.927 1.00 10.00 C ATOM 350 CD2 LEU A 23A 7.136 -9.262 -4.844 1.00 10.00 C ATOM 0 H LEU A 23A 10.454 -9.493 -6.407 1.00 10.00 H new ATOM 0 HA LEU A 23A 9.765 -12.286 -5.574 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 8.473 -9.830 -6.858 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.674 -11.386 -6.972 1.00 10.00 H new ATOM 0 HG LEU A 23A 7.112 -11.422 -4.744 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 8.558 -10.567 -2.923 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 9.457 -11.664 -3.998 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 9.685 -9.904 -4.130 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 6.744 -9.131 -3.835 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 7.856 -8.472 -5.060 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 6.316 -9.212 -5.561 1.00 10.00 H new ATOM 362 N ARG A 24 10.666 -11.477 -8.573 1.00 10.00 N ATOM 363 CA ARG A 24 10.987 -12.086 -9.896 1.00 10.00 C ATOM 364 C ARG A 24 12.321 -12.838 -9.822 1.00 10.00 C ATOM 365 O ARG A 24 12.649 -13.626 -10.686 1.00 10.00 O ATOM 366 CB ARG A 24 11.084 -10.906 -10.862 1.00 10.00 C ATOM 367 CG ARG A 24 9.980 -11.017 -11.914 1.00 10.00 C ATOM 368 CD ARG A 24 8.645 -10.583 -11.303 1.00 10.00 C ATOM 369 NE ARG A 24 7.662 -11.603 -11.764 1.00 10.00 N ATOM 370 CZ ARG A 24 6.381 -11.372 -11.658 1.00 10.00 C ATOM 371 NH1 ARG A 24 5.926 -10.153 -11.767 1.00 10.00 N ATOM 372 NH2 ARG A 24 5.555 -12.359 -11.445 1.00 10.00 N ATOM 0 H ARG A 24 10.972 -10.512 -8.452 1.00 10.00 H new ATOM 0 HA ARG A 24 10.235 -12.808 -10.213 1.00 10.00 H new ATOM 0 HB2 ARG A 24 10.989 -9.967 -10.317 1.00 10.00 H new ATOM 0 HB3 ARG A 24 12.061 -10.896 -11.344 1.00 10.00 H new ATOM 0 HG2 ARG A 24 10.219 -10.391 -12.774 1.00 10.00 H new ATOM 0 HG3 ARG A 24 9.910 -12.043 -12.276 1.00 10.00 H new ATOM 0 HD2 ARG A 24 8.700 -10.551 -10.215 1.00 10.00 H new ATOM 0 HD3 ARG A 24 8.364 -9.584 -11.637 1.00 10.00 H new ATOM 0 HE ARG A 24 7.990 -12.483 -12.163 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.571 -9.381 -11.935 1.00 10.00 H new ATOM 0 HH12 ARG A 24 4.925 -9.973 -11.684 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.910 -13.312 -11.361 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.555 -12.178 -11.362 1.00 10.00 H new ATOM 386 N GLN A 25 13.091 -12.602 -8.795 1.00 10.00 N ATOM 387 CA GLN A 25 14.396 -13.304 -8.663 1.00 10.00 C ATOM 388 C GLN A 25 14.489 -13.991 -7.296 1.00 10.00 C ATOM 389 O GLN A 25 15.074 -15.047 -7.157 1.00 10.00 O ATOM 390 CB GLN A 25 15.457 -12.206 -8.805 1.00 10.00 C ATOM 391 CG GLN A 25 15.807 -11.633 -7.428 1.00 10.00 C ATOM 392 CD GLN A 25 16.945 -10.621 -7.571 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.836 -9.667 -8.315 1.00 10.00 O ATOM 394 NE2 GLN A 25 18.042 -10.788 -6.881 1.00 10.00 N ATOM 0 H GLN A 25 12.871 -11.952 -8.041 1.00 10.00 H new ATOM 0 HA GLN A 25 14.527 -14.084 -9.413 1.00 10.00 H new ATOM 0 HB2 GLN A 25 16.352 -12.612 -9.277 1.00 10.00 H new ATOM 0 HB3 GLN A 25 15.086 -11.413 -9.454 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.932 -11.153 -6.989 1.00 10.00 H new ATOM 0 HG3 GLN A 25 16.103 -12.436 -6.753 1.00 10.00 H new ATOM 0 HE21 GLN A 25 18.134 -11.589 -6.256 1.00 10.00 H new ATOM 0 HE22 GLN A 25 18.806 -10.118 -6.967 1.00 10.00 H new ATOM 403 N GLN A 26 13.908 -13.400 -6.290 1.00 10.00 N ATOM 404 CA GLN A 26 13.950 -14.013 -4.930 1.00 10.00 C ATOM 405 C GLN A 26 15.389 -14.371 -4.545 1.00 10.00 C ATOM 406 O GLN A 26 15.782 -15.519 -4.610 1.00 10.00 O ATOM 407 CB GLN A 26 13.098 -15.276 -5.042 1.00 10.00 C ATOM 408 CG GLN A 26 11.774 -15.071 -4.302 1.00 10.00 C ATOM 409 CD GLN A 26 10.667 -15.855 -5.008 1.00 10.00 C ATOM 410 OE1 GLN A 26 9.806 -15.278 -5.641 1.00 10.00 O ATOM 411 NE2 GLN A 26 10.652 -17.156 -4.922 1.00 10.00 N ATOM 0 H GLN A 26 13.404 -12.515 -6.350 1.00 10.00 H new ATOM 0 HA GLN A 26 13.580 -13.333 -4.163 1.00 10.00 H new ATOM 0 HB2 GLN A 26 12.908 -15.507 -6.090 1.00 10.00 H new ATOM 0 HB3 GLN A 26 13.634 -16.127 -4.620 1.00 10.00 H new ATOM 0 HG2 GLN A 26 11.868 -15.404 -3.268 1.00 10.00 H new ATOM 0 HG3 GLN A 26 11.522 -14.011 -4.273 1.00 10.00 H new ATOM 0 HE21 GLN A 26 11.375 -17.640 -4.390 1.00 10.00 H new ATOM 0 HE22 GLN A 26 9.917 -17.689 -5.386 1.00 10.00 H new ATOM 420 N PRO A 27 16.127 -13.369 -4.152 1.00 10.00 N ATOM 421 CA PRO A 27 17.539 -13.572 -3.745 1.00 10.00 C ATOM 422 C PRO A 27 17.610 -14.326 -2.414 1.00 10.00 C ATOM 423 O PRO A 27 16.621 -14.457 -1.721 1.00 10.00 O ATOM 424 CB PRO A 27 18.076 -12.150 -3.594 1.00 10.00 C ATOM 425 CG PRO A 27 16.868 -11.315 -3.320 1.00 10.00 C ATOM 426 CD PRO A 27 15.722 -11.965 -4.049 1.00 10.00 C ATOM 0 HA PRO A 27 18.110 -14.165 -4.460 1.00 10.00 H new ATOM 0 HB2 PRO A 27 18.797 -12.083 -2.779 1.00 10.00 H new ATOM 0 HB3 PRO A 27 18.587 -11.822 -4.499 1.00 10.00 H new ATOM 0 HG2 PRO A 27 16.667 -11.263 -2.250 1.00 10.00 H new ATOM 0 HG3 PRO A 27 17.017 -10.292 -3.666 1.00 10.00 H new ATOM 0 HD2 PRO A 27 14.786 -11.857 -3.501 1.00 10.00 H new ATOM 0 HD3 PRO A 27 15.568 -11.519 -5.032 1.00 10.00 H new ATOM 434 N PRO A 28 18.789 -14.793 -2.100 1.00 10.00 N ATOM 435 CA PRO A 28 19.002 -15.539 -0.836 1.00 10.00 C ATOM 436 C PRO A 28 18.882 -14.594 0.363 1.00 10.00 C ATOM 437 O PRO A 28 18.927 -15.011 1.503 1.00 10.00 O ATOM 438 CB PRO A 28 20.423 -16.079 -0.973 1.00 10.00 C ATOM 439 CG PRO A 28 21.090 -15.150 -1.935 1.00 10.00 C ATOM 440 CD PRO A 28 20.021 -14.676 -2.882 1.00 10.00 C ATOM 0 HA PRO A 28 18.270 -16.330 -0.672 1.00 10.00 H new ATOM 0 HB2 PRO A 28 20.937 -16.090 -0.012 1.00 10.00 H new ATOM 0 HB3 PRO A 28 20.423 -17.103 -1.346 1.00 10.00 H new ATOM 0 HG2 PRO A 28 21.544 -14.309 -1.411 1.00 10.00 H new ATOM 0 HG3 PRO A 28 21.889 -15.658 -2.475 1.00 10.00 H new ATOM 0 HD2 PRO A 28 20.196 -13.649 -3.202 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.983 -15.289 -3.783 1.00 10.00 H new ATOM 448 N ASP A 29 18.728 -13.324 0.110 1.00 10.00 N ATOM 449 CA ASP A 29 18.602 -12.345 1.227 1.00 10.00 C ATOM 450 C ASP A 29 18.082 -11.009 0.690 1.00 10.00 C ATOM 451 O ASP A 29 18.630 -10.448 -0.239 1.00 10.00 O ATOM 452 CB ASP A 29 20.019 -12.189 1.781 1.00 10.00 C ATOM 453 CG ASP A 29 20.921 -11.564 0.715 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.763 -11.912 -0.445 1.00 10.00 O ATOM 455 OD2 ASP A 29 21.755 -10.750 1.076 1.00 10.00 O ATOM 0 H ASP A 29 18.684 -12.920 -0.826 1.00 10.00 H new ATOM 0 HA ASP A 29 17.903 -12.676 1.995 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.005 -11.562 2.673 1.00 10.00 H new ATOM 0 HB3 ASP A 29 20.412 -13.160 2.080 1.00 10.00 H new ATOM 460 N LEU A 30 17.026 -10.496 1.260 1.00 10.00 N ATOM 461 CA LEU A 30 16.471 -9.200 0.771 1.00 10.00 C ATOM 462 C LEU A 30 17.289 -8.022 1.307 1.00 10.00 C ATOM 463 O LEU A 30 18.002 -7.372 0.570 1.00 10.00 O ATOM 464 CB LEU A 30 15.044 -9.147 1.313 1.00 10.00 C ATOM 465 CG LEU A 30 14.453 -7.769 1.028 1.00 10.00 C ATOM 466 CD1 LEU A 30 14.490 -7.502 -0.478 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.005 -7.721 1.518 1.00 10.00 C ATOM 0 H LEU A 30 16.524 -10.917 2.042 1.00 10.00 H new ATOM 0 HA LEU A 30 16.501 -9.132 -0.316 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.435 -9.921 0.846 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.041 -9.343 2.385 1.00 10.00 H new ATOM 0 HG LEU A 30 15.036 -7.009 1.548 1.00 10.00 H new ATOM 0 HD11 LEU A 30 14.068 -6.518 -0.684 1.00 10.00 H new ATOM 0 HD12 LEU A 30 15.522 -7.535 -0.828 1.00 10.00 H new ATOM 0 HD13 LEU A 30 13.906 -8.263 -0.997 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.584 -6.736 1.314 1.00 10.00 H new ATOM 0 HD22 LEU A 30 12.420 -8.480 0.999 1.00 10.00 H new ATOM 0 HD23 LEU A 30 12.977 -7.912 2.591 1.00 10.00 H new ATOM 479 N VAL A 31 17.185 -7.741 2.583 1.00 10.00 N ATOM 480 CA VAL A 31 17.954 -6.599 3.175 1.00 10.00 C ATOM 481 C VAL A 31 19.151 -6.246 2.294 1.00 10.00 C ATOM 482 O VAL A 31 19.264 -5.151 1.779 1.00 10.00 O ATOM 483 CB VAL A 31 18.444 -7.113 4.527 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.047 -5.956 5.326 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.269 -7.709 5.304 1.00 10.00 C ATOM 0 H VAL A 31 16.600 -8.254 3.242 1.00 10.00 H new ATOM 0 HA VAL A 31 17.342 -5.701 3.264 1.00 10.00 H new ATOM 0 HB VAL A 31 19.202 -7.880 4.369 1.00 10.00 H new ATOM 0 HG11 VAL A 31 19.397 -6.323 6.291 1.00 10.00 H new ATOM 0 HG12 VAL A 31 19.885 -5.531 4.774 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.289 -5.188 5.483 1.00 10.00 H new ATOM 0 HG21 VAL A 31 17.619 -8.076 6.269 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.510 -6.942 5.461 1.00 10.00 H new ATOM 0 HG23 VAL A 31 16.839 -8.534 4.737 1.00 10.00 H new ATOM 495 N ASP A 32 20.042 -7.177 2.119 1.00 10.00 N ATOM 496 CA ASP A 32 21.237 -6.924 1.272 1.00 10.00 C ATOM 497 C ASP A 32 20.808 -6.649 -0.170 1.00 10.00 C ATOM 498 O ASP A 32 21.202 -5.666 -0.765 1.00 10.00 O ATOM 499 CB ASP A 32 22.049 -8.211 1.371 1.00 10.00 C ATOM 500 CG ASP A 32 23.518 -7.874 1.635 1.00 10.00 C ATOM 501 OD1 ASP A 32 24.111 -7.208 0.803 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.023 -8.288 2.665 1.00 10.00 O ATOM 0 H ASP A 32 19.994 -8.110 2.529 1.00 10.00 H new ATOM 0 HA ASP A 32 21.812 -6.055 1.593 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.660 -8.837 2.174 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.957 -8.782 0.447 1.00 10.00 H new ATOM 507 N PHE A 33 19.994 -7.495 -0.739 1.00 10.00 N ATOM 508 CA PHE A 33 19.545 -7.245 -2.137 1.00 10.00 C ATOM 509 C PHE A 33 18.902 -5.860 -2.218 1.00 10.00 C ATOM 510 O PHE A 33 19.237 -5.056 -3.065 1.00 10.00 O ATOM 511 CB PHE A 33 18.513 -8.328 -2.447 1.00 10.00 C ATOM 512 CG PHE A 33 17.808 -7.976 -3.735 1.00 10.00 C ATOM 513 CD1 PHE A 33 16.655 -7.182 -3.708 1.00 10.00 C ATOM 514 CD2 PHE A 33 18.314 -8.434 -4.960 1.00 10.00 C ATOM 515 CE1 PHE A 33 16.008 -6.845 -4.904 1.00 10.00 C ATOM 516 CE2 PHE A 33 17.664 -8.097 -6.155 1.00 10.00 C ATOM 517 CZ PHE A 33 16.512 -7.304 -6.127 1.00 10.00 C ATOM 0 H PHE A 33 19.624 -8.339 -0.302 1.00 10.00 H new ATOM 0 HA PHE A 33 20.371 -7.275 -2.847 1.00 10.00 H new ATOM 0 HB2 PHE A 33 19.000 -9.299 -2.537 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.793 -8.407 -1.632 1.00 10.00 H new ATOM 0 HD1 PHE A 33 16.264 -6.829 -2.765 1.00 10.00 H new ATOM 0 HD2 PHE A 33 19.204 -9.046 -4.983 1.00 10.00 H new ATOM 0 HE1 PHE A 33 15.120 -6.231 -4.883 1.00 10.00 H new ATOM 0 HE2 PHE A 33 18.053 -8.450 -7.099 1.00 10.00 H new ATOM 0 HZ PHE A 33 16.011 -7.046 -7.049 1.00 10.00 H new ATOM 527 N ALA A 34 17.985 -5.574 -1.334 1.00 10.00 N ATOM 528 CA ALA A 34 17.329 -4.239 -1.351 1.00 10.00 C ATOM 529 C ALA A 34 18.395 -3.147 -1.481 1.00 10.00 C ATOM 530 O ALA A 34 18.160 -2.100 -2.049 1.00 10.00 O ATOM 531 CB ALA A 34 16.607 -4.131 -0.008 1.00 10.00 C ATOM 0 H ALA A 34 17.663 -6.207 -0.602 1.00 10.00 H new ATOM 0 HA ALA A 34 16.639 -4.121 -2.187 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.097 -3.170 0.055 1.00 10.00 H new ATOM 0 HB2 ALA A 34 15.876 -4.935 0.078 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.332 -4.211 0.802 1.00 10.00 H new ATOM 537 N VAL A 35 19.568 -3.393 -0.962 1.00 10.00 N ATOM 538 CA VAL A 35 20.654 -2.388 -1.053 1.00 10.00 C ATOM 539 C VAL A 35 21.280 -2.434 -2.451 1.00 10.00 C ATOM 540 O VAL A 35 21.403 -1.428 -3.120 1.00 10.00 O ATOM 541 CB VAL A 35 21.647 -2.825 0.022 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.048 -2.329 -0.317 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.216 -2.247 1.367 1.00 10.00 C ATOM 0 H VAL A 35 19.817 -4.255 -0.476 1.00 10.00 H new ATOM 0 HA VAL A 35 20.318 -1.362 -0.901 1.00 10.00 H new ATOM 0 HB VAL A 35 21.662 -3.914 0.071 1.00 10.00 H new ATOM 0 HG11 VAL A 35 23.745 -2.648 0.458 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.358 -2.743 -1.276 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.044 -1.241 -0.376 1.00 10.00 H new ATOM 0 HG21 VAL A 35 21.921 -2.556 2.139 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.198 -1.159 1.306 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.220 -2.613 1.618 1.00 10.00 H new ATOM 553 N GLU A 36 21.669 -3.595 -2.898 1.00 10.00 N ATOM 554 CA GLU A 36 22.278 -3.705 -4.253 1.00 10.00 C ATOM 555 C GLU A 36 21.436 -2.922 -5.264 1.00 10.00 C ATOM 556 O GLU A 36 21.952 -2.311 -6.179 1.00 10.00 O ATOM 557 CB GLU A 36 22.275 -5.209 -4.560 1.00 10.00 C ATOM 558 CG GLU A 36 21.544 -5.486 -5.877 1.00 10.00 C ATOM 559 CD GLU A 36 22.435 -5.080 -7.053 1.00 10.00 C ATOM 560 OE1 GLU A 36 23.198 -4.141 -6.895 1.00 10.00 O ATOM 561 OE2 GLU A 36 22.339 -5.716 -8.090 1.00 10.00 O ATOM 0 H GLU A 36 21.592 -4.473 -2.384 1.00 10.00 H new ATOM 0 HA GLU A 36 23.285 -3.291 -4.305 1.00 10.00 H new ATOM 0 HB2 GLU A 36 23.300 -5.576 -4.622 1.00 10.00 H new ATOM 0 HB3 GLU A 36 21.791 -5.751 -3.748 1.00 10.00 H new ATOM 0 HG2 GLU A 36 21.290 -6.544 -5.948 1.00 10.00 H new ATOM 0 HG3 GLU A 36 20.607 -4.930 -5.909 1.00 10.00 H new ATOM 568 N TYR A 37 20.140 -2.930 -5.101 1.00 10.00 N ATOM 569 CA TYR A 37 19.264 -2.184 -6.048 1.00 10.00 C ATOM 570 C TYR A 37 19.425 -0.677 -5.835 1.00 10.00 C ATOM 571 O TYR A 37 19.920 0.032 -6.688 1.00 10.00 O ATOM 572 CB TYR A 37 17.841 -2.625 -5.702 1.00 10.00 C ATOM 573 CG TYR A 37 16.851 -1.796 -6.484 1.00 10.00 C ATOM 574 CD1 TYR A 37 16.945 -1.726 -7.878 1.00 10.00 C ATOM 575 CD2 TYR A 37 15.839 -1.097 -5.813 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.026 -0.957 -8.604 1.00 10.00 C ATOM 577 CE2 TYR A 37 14.922 -0.328 -6.539 1.00 10.00 C ATOM 578 CZ TYR A 37 15.015 -0.258 -7.934 1.00 10.00 C ATOM 579 OH TYR A 37 14.110 0.501 -8.649 1.00 10.00 O ATOM 0 H TYR A 37 19.651 -3.421 -4.353 1.00 10.00 H new ATOM 0 HA TYR A 37 19.511 -2.388 -7.090 1.00 10.00 H new ATOM 0 HB2 TYR A 37 17.710 -3.682 -5.935 1.00 10.00 H new ATOM 0 HB3 TYR A 37 17.663 -2.510 -4.633 1.00 10.00 H new ATOM 0 HD1 TYR A 37 17.726 -2.265 -8.394 1.00 10.00 H new ATOM 0 HD2 TYR A 37 15.767 -1.151 -4.737 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.098 -0.904 -9.680 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.142 0.212 -6.022 1.00 10.00 H new ATOM 0 HH TYR A 37 13.474 0.919 -8.032 1.00 10.00 H new ATOM 589 N PHE A 38 19.016 -0.183 -4.699 1.00 10.00 N ATOM 590 CA PHE A 38 19.149 1.276 -4.427 1.00 10.00 C ATOM 591 C PHE A 38 20.627 1.684 -4.470 1.00 10.00 C ATOM 592 O PHE A 38 21.000 2.630 -5.138 1.00 10.00 O ATOM 593 CB PHE A 38 18.575 1.471 -3.023 1.00 10.00 C ATOM 594 CG PHE A 38 17.087 1.219 -3.046 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.271 1.915 -3.946 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.523 0.288 -2.164 1.00 10.00 C ATOM 597 CE1 PHE A 38 14.891 1.681 -3.964 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.142 0.054 -2.183 1.00 10.00 C ATOM 599 CZ PHE A 38 14.327 0.749 -3.082 1.00 10.00 C ATOM 0 H PHE A 38 18.595 -0.728 -3.946 1.00 10.00 H new ATOM 0 HA PHE A 38 18.629 1.887 -5.165 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.059 0.790 -2.323 1.00 10.00 H new ATOM 0 HB3 PHE A 38 18.777 2.483 -2.674 1.00 10.00 H new ATOM 0 HD1 PHE A 38 16.706 2.632 -4.626 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.153 -0.249 -1.470 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.261 2.218 -4.657 1.00 10.00 H new ATOM 0 HE2 PHE A 38 14.707 -0.663 -1.503 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.262 0.568 -3.097 1.00 10.00 H new ATOM 609 N THR A 39 21.470 0.975 -3.767 1.00 10.00 N ATOM 610 CA THR A 39 22.922 1.321 -3.775 1.00 10.00 C ATOM 611 C THR A 39 23.403 1.500 -5.214 1.00 10.00 C ATOM 612 O THR A 39 24.176 2.387 -5.517 1.00 10.00 O ATOM 613 CB THR A 39 23.624 0.128 -3.120 1.00 10.00 C ATOM 614 OG1 THR A 39 23.215 0.020 -1.765 1.00 10.00 O ATOM 615 CG2 THR A 39 25.139 0.328 -3.185 1.00 10.00 C ATOM 0 H THR A 39 21.217 0.173 -3.189 1.00 10.00 H new ATOM 0 HA THR A 39 23.130 2.251 -3.246 1.00 10.00 H new ATOM 0 HB THR A 39 23.357 -0.786 -3.651 1.00 10.00 H new ATOM 0 HG1 THR A 39 24.005 -0.028 -1.188 1.00 10.00 H new ATOM 0 HG21 THR A 39 25.638 -0.521 -2.719 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.451 0.406 -4.226 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.408 1.242 -2.656 1.00 10.00 H new ATOM 623 N ARG A 40 22.949 0.661 -6.105 1.00 10.00 N ATOM 624 CA ARG A 40 23.374 0.781 -7.526 1.00 10.00 C ATOM 625 C ARG A 40 22.519 1.830 -8.241 1.00 10.00 C ATOM 626 O ARG A 40 22.934 2.423 -9.216 1.00 10.00 O ATOM 627 CB ARG A 40 23.135 -0.604 -8.128 1.00 10.00 C ATOM 628 CG ARG A 40 23.990 -0.768 -9.385 1.00 10.00 C ATOM 629 CD ARG A 40 24.372 -2.241 -9.555 1.00 10.00 C ATOM 630 NE ARG A 40 23.445 -2.761 -10.598 1.00 10.00 N ATOM 631 CZ ARG A 40 23.714 -2.575 -11.862 1.00 10.00 C ATOM 632 NH1 ARG A 40 23.297 -1.497 -12.467 1.00 10.00 N ATOM 633 NH2 ARG A 40 24.401 -3.468 -12.521 1.00 10.00 N ATOM 0 H ARG A 40 22.302 -0.102 -5.909 1.00 10.00 H new ATOM 0 HA ARG A 40 24.414 1.094 -7.624 1.00 10.00 H new ATOM 0 HB2 ARG A 40 23.386 -1.376 -7.401 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.080 -0.728 -8.374 1.00 10.00 H new ATOM 0 HG2 ARG A 40 23.440 -0.421 -10.260 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.888 -0.155 -9.309 1.00 10.00 H new ATOM 0 HD2 ARG A 40 25.412 -2.346 -9.863 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.260 -2.788 -8.619 1.00 10.00 H new ATOM 0 HE ARG A 40 22.600 -3.263 -10.325 1.00 10.00 H new ATOM 0 HH11 ARG A 40 22.760 -0.799 -11.952 1.00 10.00 H new ATOM 0 HH12 ARG A 40 23.508 -1.353 -13.454 1.00 10.00 H new ATOM 0 HH21 ARG A 40 24.728 -4.311 -12.048 1.00 10.00 H new ATOM 0 HH22 ARG A 40 24.611 -3.323 -13.508 1.00 10.00 H new ATOM 647 N LEU A 41 21.329 2.064 -7.761 1.00 10.00 N ATOM 648 CA LEU A 41 20.449 3.075 -8.414 1.00 10.00 C ATOM 649 C LEU A 41 21.211 4.387 -8.606 1.00 10.00 C ATOM 650 O LEU A 41 21.314 4.895 -9.705 1.00 10.00 O ATOM 651 CB LEU A 41 19.277 3.265 -7.449 1.00 10.00 C ATOM 652 CG LEU A 41 18.141 4.011 -8.157 1.00 10.00 C ATOM 653 CD1 LEU A 41 17.907 3.399 -9.540 1.00 10.00 C ATOM 654 CD2 LEU A 41 16.862 3.891 -7.327 1.00 10.00 C ATOM 0 H LEU A 41 20.928 1.600 -6.946 1.00 10.00 H new ATOM 0 HA LEU A 41 20.112 2.757 -9.401 1.00 10.00 H new ATOM 0 HB2 LEU A 41 18.924 2.296 -7.095 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.602 3.825 -6.572 1.00 10.00 H new ATOM 0 HG LEU A 41 18.411 5.061 -8.267 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.099 3.931 -10.041 1.00 10.00 H new ATOM 0 HD12 LEU A 41 18.818 3.481 -10.133 1.00 10.00 H new ATOM 0 HD13 LEU A 41 17.637 2.348 -9.432 1.00 10.00 H new ATOM 0 HD21 LEU A 41 16.052 4.421 -7.828 1.00 10.00 H new ATOM 0 HD22 LEU A 41 16.596 2.840 -7.219 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.026 4.327 -6.341 1.00 10.00 H new ATOM 666 N ARG A 42 21.750 4.939 -7.550 1.00 10.00 N ATOM 667 CA ARG A 42 22.510 6.219 -7.691 1.00 10.00 C ATOM 668 C ARG A 42 23.291 6.210 -9.005 1.00 10.00 C ATOM 669 O ARG A 42 23.362 7.199 -9.707 1.00 10.00 O ATOM 670 CB ARG A 42 23.479 6.284 -6.503 1.00 10.00 C ATOM 671 CG ARG A 42 23.749 4.881 -5.957 1.00 10.00 C ATOM 672 CD ARG A 42 22.884 4.659 -4.717 1.00 10.00 C ATOM 673 NE ARG A 42 23.562 5.416 -3.627 1.00 10.00 N ATOM 674 CZ ARG A 42 24.859 5.341 -3.482 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.442 4.174 -3.423 1.00 10.00 N ATOM 676 NH2 ARG A 42 25.571 6.431 -3.400 1.00 10.00 N ATOM 0 H ARG A 42 21.698 4.563 -6.603 1.00 10.00 H new ATOM 0 HA ARG A 42 21.843 7.081 -7.700 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.416 6.746 -6.815 1.00 10.00 H new ATOM 0 HB3 ARG A 42 23.059 6.912 -5.717 1.00 10.00 H new ATOM 0 HG2 ARG A 42 23.522 4.131 -6.715 1.00 10.00 H new ATOM 0 HG3 ARG A 42 24.804 4.771 -5.706 1.00 10.00 H new ATOM 0 HD2 ARG A 42 21.868 5.022 -4.875 1.00 10.00 H new ATOM 0 HD3 ARG A 42 22.810 3.599 -4.473 1.00 10.00 H new ATOM 0 HE ARG A 42 23.012 5.995 -2.992 1.00 10.00 H new ATOM 0 HH11 ARG A 42 24.885 3.322 -3.490 1.00 10.00 H new ATOM 0 HH12 ARG A 42 26.454 4.115 -3.310 1.00 10.00 H new ATOM 0 HH21 ARG A 42 25.116 7.342 -3.449 1.00 10.00 H new ATOM 0 HH22 ARG A 42 26.583 6.372 -3.287 1.00 10.00 H new ATOM 690 N GLU A 43 23.866 5.090 -9.346 1.00 10.00 N ATOM 691 CA GLU A 43 24.634 5.000 -10.618 1.00 10.00 C ATOM 692 C GLU A 43 23.702 4.579 -11.753 1.00 10.00 C ATOM 693 O GLU A 43 23.520 5.291 -12.722 1.00 10.00 O ATOM 694 CB GLU A 43 25.695 3.928 -10.368 1.00 10.00 C ATOM 695 CG GLU A 43 26.592 4.359 -9.206 1.00 10.00 C ATOM 696 CD GLU A 43 26.608 3.263 -8.139 1.00 10.00 C ATOM 697 OE1 GLU A 43 25.538 2.837 -7.738 1.00 10.00 O ATOM 698 OE2 GLU A 43 27.692 2.869 -7.739 1.00 10.00 O ATOM 0 H GLU A 43 23.837 4.231 -8.796 1.00 10.00 H new ATOM 0 HA GLU A 43 25.083 5.951 -10.904 1.00 10.00 H new ATOM 0 HB2 GLU A 43 25.218 2.975 -10.139 1.00 10.00 H new ATOM 0 HB3 GLU A 43 26.293 3.777 -11.267 1.00 10.00 H new ATOM 0 HG2 GLU A 43 27.604 4.547 -9.564 1.00 10.00 H new ATOM 0 HG3 GLU A 43 26.227 5.293 -8.778 1.00 10.00 H new ATOM 915 N LEU B 11 7.156 -7.920 3.361 1.00 10.00 N ATOM 916 CA LEU B 11 8.099 -6.835 2.960 1.00 10.00 C ATOM 917 C LEU B 11 7.481 -5.467 3.259 1.00 10.00 C ATOM 918 O LEU B 11 8.141 -4.571 3.747 1.00 10.00 O ATOM 919 CB LEU B 11 8.301 -7.018 1.455 1.00 10.00 C ATOM 920 CG LEU B 11 9.077 -5.824 0.890 1.00 10.00 C ATOM 921 CD1 LEU B 11 10.222 -5.458 1.835 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.650 -6.194 -0.480 1.00 10.00 C ATOM 0 HA LEU B 11 9.043 -6.884 3.503 1.00 10.00 H new ATOM 0 HB2 LEU B 11 8.845 -7.942 1.261 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.336 -7.106 0.957 1.00 10.00 H new ATOM 0 HG LEU B 11 8.405 -4.972 0.790 1.00 10.00 H new ATOM 0 HD11 LEU B 11 10.771 -4.608 1.429 1.00 10.00 H new ATOM 0 HD12 LEU B 11 9.817 -5.195 2.812 1.00 10.00 H new ATOM 0 HD13 LEU B 11 10.895 -6.309 1.938 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.203 -5.346 -0.884 1.00 10.00 H new ATOM 0 HD22 LEU B 11 10.320 -7.047 -0.376 1.00 10.00 H new ATOM 0 HD23 LEU B 11 8.836 -6.453 -1.157 1.00 10.00 H new ATOM 934 N THR B 12 6.219 -5.301 2.975 1.00 10.00 N ATOM 935 CA THR B 12 5.558 -3.990 3.246 1.00 10.00 C ATOM 936 C THR B 12 6.029 -3.434 4.593 1.00 10.00 C ATOM 937 O THR B 12 6.035 -2.239 4.814 1.00 10.00 O ATOM 938 CB THR B 12 4.060 -4.304 3.277 1.00 10.00 C ATOM 939 OG1 THR B 12 3.547 -4.281 1.953 1.00 10.00 O ATOM 940 CG2 THR B 12 3.331 -3.260 4.125 1.00 10.00 C ATOM 0 H THR B 12 5.616 -6.015 2.567 1.00 10.00 H new ATOM 0 HA THR B 12 5.797 -3.237 2.495 1.00 10.00 H new ATOM 0 HB THR B 12 3.906 -5.291 3.712 1.00 10.00 H new ATOM 0 HG1 THR B 12 2.588 -4.483 1.970 1.00 10.00 H new ATOM 0 HG21 THR B 12 2.265 -3.487 4.145 1.00 10.00 H new ATOM 0 HG22 THR B 12 3.724 -3.278 5.141 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.483 -2.270 3.694 1.00 10.00 H new ATOM 948 N GLU B 13 6.423 -4.291 5.494 1.00 10.00 N ATOM 949 CA GLU B 13 6.893 -3.812 6.825 1.00 10.00 C ATOM 950 C GLU B 13 8.218 -3.058 6.680 1.00 10.00 C ATOM 951 O GLU B 13 8.294 -1.868 6.916 1.00 10.00 O ATOM 952 CB GLU B 13 7.087 -5.082 7.655 1.00 10.00 C ATOM 953 CG GLU B 13 7.689 -4.718 9.013 1.00 10.00 C ATOM 954 CD GLU B 13 6.586 -4.198 9.937 1.00 10.00 C ATOM 955 OE1 GLU B 13 5.429 -4.449 9.646 1.00 10.00 O ATOM 956 OE2 GLU B 13 6.920 -3.557 10.921 1.00 10.00 O ATOM 0 H GLU B 13 6.440 -5.303 5.366 1.00 10.00 H new ATOM 0 HA GLU B 13 6.187 -3.124 7.289 1.00 10.00 H new ATOM 0 HB2 GLU B 13 6.132 -5.588 7.793 1.00 10.00 H new ATOM 0 HB3 GLU B 13 7.743 -5.776 7.129 1.00 10.00 H new ATOM 0 HG2 GLU B 13 8.168 -5.591 9.456 1.00 10.00 H new ATOM 0 HG3 GLU B 13 8.462 -3.959 8.889 1.00 10.00 H new ATOM 963 N LEU B 14 9.262 -3.739 6.295 1.00 10.00 N ATOM 964 CA LEU B 14 10.580 -3.058 6.137 1.00 10.00 C ATOM 965 C LEU B 14 10.401 -1.728 5.398 1.00 10.00 C ATOM 966 O LEU B 14 10.986 -0.725 5.754 1.00 10.00 O ATOM 967 CB LEU B 14 11.430 -4.026 5.314 1.00 10.00 C ATOM 968 CG LEU B 14 11.740 -5.270 6.149 1.00 10.00 C ATOM 969 CD1 LEU B 14 12.669 -6.197 5.362 1.00 10.00 C ATOM 970 CD2 LEU B 14 12.426 -4.850 7.451 1.00 10.00 C ATOM 0 H LEU B 14 9.260 -4.737 6.083 1.00 10.00 H new ATOM 0 HA LEU B 14 11.045 -2.826 7.095 1.00 10.00 H new ATOM 0 HB2 LEU B 14 10.900 -4.308 4.404 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.357 -3.542 5.006 1.00 10.00 H new ATOM 0 HG LEU B 14 10.812 -5.794 6.377 1.00 10.00 H new ATOM 0 HD11 LEU B 14 12.889 -7.083 5.958 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.183 -6.496 4.433 1.00 10.00 H new ATOM 0 HD13 LEU B 14 13.597 -5.673 5.134 1.00 10.00 H new ATOM 0 HD21 LEU B 14 12.648 -5.735 8.047 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.354 -4.326 7.221 1.00 10.00 H new ATOM 0 HD23 LEU B 14 11.766 -4.190 8.013 1.00 10.00 H new ATOM 982 N LEU B 15 9.594 -1.713 4.373 1.00 10.00 N ATOM 983 CA LEU B 15 9.373 -0.452 3.613 1.00 10.00 C ATOM 984 C LEU B 15 8.765 0.615 4.526 1.00 10.00 C ATOM 985 O LEU B 15 9.416 1.572 4.896 1.00 10.00 O ATOM 986 CB LEU B 15 8.390 -0.833 2.508 1.00 10.00 C ATOM 987 CG LEU B 15 8.205 0.347 1.555 1.00 10.00 C ATOM 988 CD1 LEU B 15 7.477 1.482 2.274 1.00 10.00 C ATOM 989 CD2 LEU B 15 9.574 0.837 1.082 1.00 10.00 C ATOM 0 H LEU B 15 9.077 -2.522 4.029 1.00 10.00 H new ATOM 0 HA LEU B 15 10.299 -0.038 3.215 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.761 -1.700 1.961 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.431 -1.116 2.942 1.00 10.00 H new ATOM 0 HG LEU B 15 7.614 0.029 0.696 1.00 10.00 H new ATOM 0 HD11 LEU B 15 7.347 2.321 1.591 1.00 10.00 H new ATOM 0 HD12 LEU B 15 6.500 1.133 2.610 1.00 10.00 H new ATOM 0 HD13 LEU B 15 8.063 1.802 3.135 1.00 10.00 H new ATOM 0 HD21 LEU B 15 9.444 1.679 0.402 1.00 10.00 H new ATOM 0 HD22 LEU B 15 10.164 1.153 1.942 1.00 10.00 H new ATOM 0 HD23 LEU B 15 10.091 0.029 0.564 1.00 10.00 H new ATOM 1001 N GLN B 16 7.519 0.458 4.887 1.00 10.00 N ATOM 1002 CA GLN B 16 6.864 1.463 5.771 1.00 10.00 C ATOM 1003 C GLN B 16 7.851 1.949 6.832 1.00 10.00 C ATOM 1004 O GLN B 16 7.773 3.065 7.303 1.00 10.00 O ATOM 1005 CB GLN B 16 5.696 0.720 6.422 1.00 10.00 C ATOM 1006 CG GLN B 16 4.376 1.301 5.914 1.00 10.00 C ATOM 1007 CD GLN B 16 3.207 0.585 6.592 1.00 10.00 C ATOM 1008 OE1 GLN B 16 3.286 0.234 7.753 1.00 10.00 O ATOM 1009 NE2 GLN B 16 2.118 0.353 5.912 1.00 10.00 N ATOM 0 H GLN B 16 6.927 -0.324 4.607 1.00 10.00 H new ATOM 0 HA GLN B 16 6.528 2.342 5.221 1.00 10.00 H new ATOM 0 HB2 GLN B 16 5.752 -0.343 6.188 1.00 10.00 H new ATOM 0 HB3 GLN B 16 5.752 0.811 7.507 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.332 2.370 6.124 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.308 1.186 4.832 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.053 0.648 4.938 1.00 10.00 H new ATOM 0 HE22 GLN B 16 1.332 -0.123 6.355 1.00 10.00 H new ATOM 1018 N GLY B 17 8.785 1.121 7.204 1.00 10.00 N ATOM 1019 CA GLY B 17 9.781 1.535 8.229 1.00 10.00 C ATOM 1020 C GLY B 17 10.860 2.396 7.569 1.00 10.00 C ATOM 1021 O GLY B 17 11.260 3.416 8.095 1.00 10.00 O ATOM 0 H GLY B 17 8.902 0.175 6.842 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.289 2.095 9.025 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.232 0.656 8.690 1.00 10.00 H new ATOM 1025 N TYR B 18 11.330 2.000 6.416 1.00 10.00 N ATOM 1026 CA TYR B 18 12.377 2.795 5.727 1.00 10.00 C ATOM 1027 C TYR B 18 11.776 4.109 5.213 1.00 10.00 C ATOM 1028 O TYR B 18 12.385 5.159 5.299 1.00 10.00 O ATOM 1029 CB TYR B 18 12.834 1.881 4.587 1.00 10.00 C ATOM 1030 CG TYR B 18 12.880 2.644 3.295 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.625 3.821 3.212 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.182 2.167 2.182 1.00 10.00 C ATOM 1033 CE1 TYR B 18 13.678 4.531 2.007 1.00 10.00 C ATOM 1034 CE2 TYR B 18 12.231 2.876 0.975 1.00 10.00 C ATOM 1035 CZ TYR B 18 12.979 4.059 0.887 1.00 10.00 C ATOM 1036 OH TYR B 18 13.030 4.757 -0.302 1.00 10.00 O ATOM 0 H TYR B 18 11.031 1.158 5.924 1.00 10.00 H new ATOM 0 HA TYR B 18 13.210 3.083 6.369 1.00 10.00 H new ATOM 0 HB2 TYR B 18 13.819 1.473 4.812 1.00 10.00 H new ATOM 0 HB3 TYR B 18 12.152 1.035 4.494 1.00 10.00 H new ATOM 0 HD1 TYR B 18 14.160 4.184 4.077 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.607 1.255 2.252 1.00 10.00 H new ATOM 0 HE1 TYR B 18 14.256 5.441 1.940 1.00 10.00 H new ATOM 0 HE2 TYR B 18 11.693 2.512 0.112 1.00 10.00 H new ATOM 0 HH TYR B 18 12.936 4.133 -1.052 1.00 10.00 H new ATOM 1046 N THR B 19 10.581 4.064 4.696 1.00 10.00 N ATOM 1047 CA THR B 19 9.942 5.314 4.195 1.00 10.00 C ATOM 1048 C THR B 19 9.647 6.249 5.372 1.00 10.00 C ATOM 1049 O THR B 19 9.690 7.457 5.244 1.00 10.00 O ATOM 1050 CB THR B 19 8.642 4.857 3.526 1.00 10.00 C ATOM 1051 OG1 THR B 19 8.930 4.368 2.224 1.00 10.00 O ATOM 1052 CG2 THR B 19 7.673 6.036 3.428 1.00 10.00 C ATOM 0 H THR B 19 10.019 3.218 4.598 1.00 10.00 H new ATOM 0 HA THR B 19 10.579 5.862 3.501 1.00 10.00 H new ATOM 0 HB THR B 19 8.186 4.065 4.120 1.00 10.00 H new ATOM 0 HG1 THR B 19 9.753 3.836 2.249 1.00 10.00 H new ATOM 0 HG21 THR B 19 6.749 5.709 2.952 1.00 10.00 H new ATOM 0 HG22 THR B 19 7.453 6.410 4.428 1.00 10.00 H new ATOM 0 HG23 THR B 19 8.125 6.830 2.834 1.00 10.00 H new ATOM 1060 N VAL B 20 9.354 5.697 6.519 1.00 10.00 N ATOM 1061 CA VAL B 20 9.063 6.553 7.704 1.00 10.00 C ATOM 1062 C VAL B 20 10.338 7.268 8.162 1.00 10.00 C ATOM 1063 O VAL B 20 10.290 8.331 8.746 1.00 10.00 O ATOM 1064 CB VAL B 20 8.564 5.589 8.781 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.657 6.258 10.153 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.106 5.218 8.497 1.00 10.00 C ATOM 0 H VAL B 20 9.304 4.692 6.686 1.00 10.00 H new ATOM 0 HA VAL B 20 8.327 7.327 7.486 1.00 10.00 H new ATOM 0 HB VAL B 20 9.180 4.690 8.773 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.301 5.569 10.919 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.694 6.524 10.358 1.00 10.00 H new ATOM 0 HG13 VAL B 20 8.043 7.158 10.161 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.749 4.531 9.264 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.493 6.119 8.504 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.036 4.739 7.520 1.00 10.00 H new ATOM 1076 N GLU B 21 11.482 6.697 7.889 1.00 10.00 N ATOM 1077 CA GLU B 21 12.758 7.360 8.302 1.00 10.00 C ATOM 1078 C GLU B 21 13.036 8.538 7.373 1.00 10.00 C ATOM 1079 O GLU B 21 13.626 9.529 7.759 1.00 10.00 O ATOM 1080 CB GLU B 21 13.869 6.313 8.147 1.00 10.00 C ATOM 1081 CG GLU B 21 13.285 4.907 8.233 1.00 10.00 C ATOM 1082 CD GLU B 21 14.334 3.948 8.800 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.604 4.030 9.986 1.00 10.00 O ATOM 1084 OE2 GLU B 21 14.848 3.146 8.036 1.00 10.00 O ATOM 0 H GLU B 21 11.590 5.807 7.402 1.00 10.00 H new ATOM 0 HA GLU B 21 12.703 7.727 9.327 1.00 10.00 H new ATOM 0 HB2 GLU B 21 14.374 6.447 7.190 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.620 6.451 8.925 1.00 10.00 H new ATOM 0 HG2 GLU B 21 12.399 4.909 8.868 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.969 4.573 7.245 1.00 10.00 H new ATOM 1091 N VAL B 22 12.618 8.428 6.144 1.00 10.00 N ATOM 1092 CA VAL B 22 12.858 9.527 5.168 1.00 10.00 C ATOM 1093 C VAL B 22 11.889 10.685 5.419 1.00 10.00 C ATOM 1094 O VAL B 22 12.137 11.808 5.029 1.00 10.00 O ATOM 1095 CB VAL B 22 12.603 8.901 3.794 1.00 10.00 C ATOM 1096 CG1 VAL B 22 13.417 9.648 2.741 1.00 10.00 C ATOM 1097 CG2 VAL B 22 13.030 7.429 3.803 1.00 10.00 C ATOM 0 H VAL B 22 12.118 7.621 5.771 1.00 10.00 H new ATOM 0 HA VAL B 22 13.865 9.936 5.250 1.00 10.00 H new ATOM 0 HB VAL B 22 11.540 8.969 3.562 1.00 10.00 H new ATOM 0 HG11 VAL B 22 13.238 9.205 1.761 1.00 10.00 H new ATOM 0 HG12 VAL B 22 13.118 10.696 2.726 1.00 10.00 H new ATOM 0 HG13 VAL B 22 14.477 9.577 2.983 1.00 10.00 H new ATOM 0 HG21 VAL B 22 12.846 6.991 2.822 1.00 10.00 H new ATOM 0 HG22 VAL B 22 14.092 7.360 4.037 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.456 6.888 4.556 1.00 10.00 H new ATOM 1107 N LEU B 23B 10.785 10.423 6.062 1.00 10.00 N ATOM 1108 CA LEU B 23B 9.803 11.513 6.329 1.00 10.00 C ATOM 1109 C LEU B 23B 10.109 12.191 7.667 1.00 10.00 C ATOM 1110 O LEU B 23B 9.779 13.341 7.880 1.00 10.00 O ATOM 1111 CB LEU B 23B 8.442 10.814 6.374 1.00 10.00 C ATOM 1112 CG LEU B 23B 7.899 10.619 4.950 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 9.045 10.663 3.934 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 7.198 9.261 4.859 1.00 10.00 C ATOM 0 H LEU B 23B 10.520 9.503 6.414 1.00 10.00 H new ATOM 0 HA LEU B 23B 9.835 12.294 5.569 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 8.537 9.848 6.870 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.740 11.406 6.961 1.00 10.00 H new ATOM 0 HG LEU B 23B 7.194 11.420 4.726 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 8.646 10.523 2.929 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 9.548 11.628 3.994 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 9.758 9.868 4.155 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 6.811 9.118 3.850 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 7.909 8.468 5.090 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 6.374 9.228 5.572 1.00 10.00 H new ATOM 1126 N ARG B 24 10.735 11.491 8.572 1.00 10.00 N ATOM 1127 CA ARG B 24 11.058 12.104 9.893 1.00 10.00 C ATOM 1128 C ARG B 24 12.394 12.850 9.817 1.00 10.00 C ATOM 1129 O ARG B 24 12.722 13.643 10.679 1.00 10.00 O ATOM 1130 CB ARG B 24 11.150 10.927 10.863 1.00 10.00 C ATOM 1131 CG ARG B 24 10.043 11.045 11.913 1.00 10.00 C ATOM 1132 CD ARG B 24 8.706 10.630 11.295 1.00 10.00 C ATOM 1133 NE ARG B 24 7.730 11.655 11.762 1.00 10.00 N ATOM 1134 CZ ARG B 24 6.448 11.429 11.670 1.00 10.00 C ATOM 1135 NH1 ARG B 24 5.985 10.217 11.821 1.00 10.00 N ATOM 1136 NH2 ARG B 24 5.626 12.414 11.428 1.00 10.00 N ATOM 0 H ARG B 24 11.037 10.524 8.456 1.00 10.00 H new ATOM 0 HA ARG B 24 10.309 12.831 10.207 1.00 10.00 H new ATOM 0 HB2 ARG B 24 11.053 9.986 10.321 1.00 10.00 H new ATOM 0 HB3 ARG B 24 12.126 10.916 11.348 1.00 10.00 H new ATOM 0 HG2 ARG B 24 10.271 10.412 12.770 1.00 10.00 H new ATOM 0 HG3 ARG B 24 9.983 12.070 12.280 1.00 10.00 H new ATOM 0 HD2 ARG B 24 8.764 10.608 10.207 1.00 10.00 H new ATOM 0 HD3 ARG B 24 8.415 9.631 11.619 1.00 10.00 H new ATOM 0 HE ARG B 24 8.065 12.535 12.154 1.00 10.00 H new ATOM 0 HH11 ARG B 24 6.626 9.446 12.011 1.00 10.00 H new ATOM 0 HH12 ARG B 24 4.983 10.041 11.749 1.00 10.00 H new ATOM 0 HH21 ARG B 24 5.986 13.361 11.311 1.00 10.00 H new ATOM 0 HH22 ARG B 24 4.624 12.236 11.356 1.00 10.00 H new ATOM 1150 N GLN B 25 13.166 12.607 8.792 1.00 10.00 N ATOM 1151 CA GLN B 25 14.472 13.303 8.659 1.00 10.00 C ATOM 1152 C GLN B 25 14.568 13.987 7.291 1.00 10.00 C ATOM 1153 O GLN B 25 15.157 15.040 7.151 1.00 10.00 O ATOM 1154 CB GLN B 25 15.529 12.201 8.805 1.00 10.00 C ATOM 1155 CG GLN B 25 15.877 11.622 7.430 1.00 10.00 C ATOM 1156 CD GLN B 25 17.016 10.612 7.575 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.910 9.663 8.326 1.00 10.00 O ATOM 1158 NE2 GLN B 25 18.110 10.778 6.884 1.00 10.00 N ATOM 0 H GLN B 25 12.945 11.954 8.040 1.00 10.00 H new ATOM 0 HA GLN B 25 14.606 14.085 9.407 1.00 10.00 H new ATOM 0 HB2 GLN B 25 16.425 12.606 9.276 1.00 10.00 H new ATOM 0 HB3 GLN B 25 15.155 11.412 9.457 1.00 10.00 H new ATOM 0 HG2 GLN B 25 15.002 11.139 6.995 1.00 10.00 H new ATOM 0 HG3 GLN B 25 16.171 12.422 6.750 1.00 10.00 H new ATOM 0 HE21 GLN B 25 18.199 11.575 6.253 1.00 10.00 H new ATOM 0 HE22 GLN B 25 18.876 10.111 6.974 1.00 10.00 H new ATOM 1167 N GLN B 26 13.984 13.396 6.285 1.00 10.00 N ATOM 1168 CA GLN B 26 14.027 14.004 4.923 1.00 10.00 C ATOM 1169 C GLN B 26 15.466 14.357 4.538 1.00 10.00 C ATOM 1170 O GLN B 26 15.864 15.504 4.601 1.00 10.00 O ATOM 1171 CB GLN B 26 13.177 15.270 5.031 1.00 10.00 C ATOM 1172 CG GLN B 26 11.853 15.064 4.294 1.00 10.00 C ATOM 1173 CD GLN B 26 10.749 15.854 5.000 1.00 10.00 C ATOM 1174 OE1 GLN B 26 9.894 15.281 5.648 1.00 10.00 O ATOM 1175 NE2 GLN B 26 10.730 17.155 4.901 1.00 10.00 N ATOM 0 H GLN B 26 13.476 12.514 6.347 1.00 10.00 H new ATOM 0 HA GLN B 26 13.656 13.323 4.157 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.989 15.505 6.079 1.00 10.00 H new ATOM 0 HB3 GLN B 26 13.714 16.118 4.605 1.00 10.00 H new ATOM 0 HG2 GLN B 26 11.945 15.393 3.259 1.00 10.00 H new ATOM 0 HG3 GLN B 26 11.599 14.004 4.270 1.00 10.00 H new ATOM 0 HE21 GLN B 26 11.447 17.636 4.358 1.00 10.00 H new ATOM 0 HE22 GLN B 26 9.998 17.691 5.367 1.00 10.00 H new ATOM 1184 N PRO B 27 16.201 13.352 4.146 1.00 10.00 N ATOM 1185 CA PRO B 27 17.614 13.549 3.740 1.00 10.00 C ATOM 1186 C PRO B 27 17.688 14.300 2.406 1.00 10.00 C ATOM 1187 O PRO B 27 16.699 14.430 1.712 1.00 10.00 O ATOM 1188 CB PRO B 27 18.147 12.127 3.592 1.00 10.00 C ATOM 1189 CG PRO B 27 16.936 11.294 3.320 1.00 10.00 C ATOM 1190 CD PRO B 27 15.792 11.949 4.047 1.00 10.00 C ATOM 0 HA PRO B 27 18.186 14.141 4.455 1.00 10.00 H new ATOM 0 HB2 PRO B 27 18.867 12.057 2.777 1.00 10.00 H new ATOM 0 HB3 PRO B 27 18.658 11.799 4.497 1.00 10.00 H new ATOM 0 HG2 PRO B 27 16.735 11.240 2.250 1.00 10.00 H new ATOM 0 HG3 PRO B 27 17.082 10.272 3.669 1.00 10.00 H new ATOM 0 HD2 PRO B 27 14.856 11.843 3.499 1.00 10.00 H new ATOM 0 HD3 PRO B 27 15.637 11.507 5.031 1.00 10.00 H new ATOM 1198 N PRO B 28 18.866 14.765 2.093 1.00 10.00 N ATOM 1199 CA PRO B 28 19.080 15.508 0.827 1.00 10.00 C ATOM 1200 C PRO B 28 18.962 14.560 -0.372 1.00 10.00 C ATOM 1201 O PRO B 28 19.011 14.975 -1.513 1.00 10.00 O ATOM 1202 CB PRO B 28 20.504 16.046 0.964 1.00 10.00 C ATOM 1203 CG PRO B 28 21.168 15.119 1.928 1.00 10.00 C ATOM 1204 CD PRO B 28 20.098 14.648 2.875 1.00 10.00 C ATOM 0 HA PRO B 28 18.348 16.298 0.661 1.00 10.00 H new ATOM 0 HB2 PRO B 28 21.019 16.053 0.003 1.00 10.00 H new ATOM 0 HB3 PRO B 28 20.506 17.071 1.335 1.00 10.00 H new ATOM 0 HG2 PRO B 28 21.622 14.277 1.406 1.00 10.00 H new ATOM 0 HG3 PRO B 28 21.967 15.628 2.468 1.00 10.00 H new ATOM 0 HD2 PRO B 28 20.272 13.621 3.197 1.00 10.00 H new ATOM 0 HD3 PRO B 28 20.061 15.262 3.775 1.00 10.00 H new ATOM 1212 N ASP B 29 18.803 13.290 -0.115 1.00 10.00 N ATOM 1213 CA ASP B 29 18.676 12.308 -1.231 1.00 10.00 C ATOM 1214 C ASP B 29 18.151 10.974 -0.691 1.00 10.00 C ATOM 1215 O ASP B 29 18.700 10.410 0.235 1.00 10.00 O ATOM 1216 CB ASP B 29 20.094 12.146 -1.780 1.00 10.00 C ATOM 1217 CG ASP B 29 20.988 11.516 -0.710 1.00 10.00 C ATOM 1218 OD1 ASP B 29 20.816 11.852 0.451 1.00 10.00 O ATOM 1219 OD2 ASP B 29 21.830 10.710 -1.069 1.00 10.00 O ATOM 0 H ASP B 29 18.755 12.889 0.822 1.00 10.00 H new ATOM 0 HA ASP B 29 17.980 12.639 -2.002 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.080 11.520 -2.672 1.00 10.00 H new ATOM 0 HB3 ASP B 29 20.493 13.116 -2.077 1.00 10.00 H new ATOM 1224 N LEU B 30 17.088 10.470 -1.256 1.00 10.00 N ATOM 1225 CA LEU B 30 16.526 9.178 -0.765 1.00 10.00 C ATOM 1226 C LEU B 30 17.340 7.997 -1.299 1.00 10.00 C ATOM 1227 O LEU B 30 18.050 7.345 -0.561 1.00 10.00 O ATOM 1228 CB LEU B 30 15.101 9.129 -1.310 1.00 10.00 C ATOM 1229 CG LEU B 30 14.501 7.753 -1.024 1.00 10.00 C ATOM 1230 CD1 LEU B 30 14.540 7.485 0.482 1.00 10.00 C ATOM 1231 CD2 LEU B 30 13.052 7.718 -1.510 1.00 10.00 C ATOM 0 H LEU B 30 16.585 10.895 -2.035 1.00 10.00 H new ATOM 0 HA LEU B 30 16.552 9.113 0.323 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.495 9.907 -0.846 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.102 9.323 -2.383 1.00 10.00 H new ATOM 0 HG LEU B 30 15.077 6.989 -1.545 1.00 10.00 H new ATOM 0 HD11 LEU B 30 14.112 6.504 0.688 1.00 10.00 H new ATOM 0 HD12 LEU B 30 15.573 7.511 0.830 1.00 10.00 H new ATOM 0 HD13 LEU B 30 13.963 8.249 1.003 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.624 6.737 -1.306 1.00 10.00 H new ATOM 0 HD22 LEU B 30 12.475 8.481 -0.988 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.023 7.911 -2.582 1.00 10.00 H new ATOM 1243 N VAL B 31 17.235 7.716 -2.574 1.00 10.00 N ATOM 1244 CA VAL B 31 18.000 6.572 -3.165 1.00 10.00 C ATOM 1245 C VAL B 31 19.196 6.217 -2.283 1.00 10.00 C ATOM 1246 O VAL B 31 19.303 5.122 -1.766 1.00 10.00 O ATOM 1247 CB VAL B 31 18.490 7.083 -4.518 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.088 5.923 -5.317 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.317 7.685 -5.294 1.00 10.00 C ATOM 0 H VAL B 31 16.651 8.230 -3.234 1.00 10.00 H new ATOM 0 HA VAL B 31 17.386 5.676 -3.254 1.00 10.00 H new ATOM 0 HB VAL B 31 19.251 7.847 -4.361 1.00 10.00 H new ATOM 0 HG11 VAL B 31 19.438 6.288 -6.283 1.00 10.00 H new ATOM 0 HG12 VAL B 31 19.926 5.495 -4.766 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.327 5.158 -5.472 1.00 10.00 H new ATOM 0 HG21 VAL B 31 17.668 8.049 -6.259 1.00 10.00 H new ATOM 0 HG22 VAL B 31 16.554 6.922 -5.450 1.00 10.00 H new ATOM 0 HG23 VAL B 31 16.892 8.513 -4.727 1.00 10.00 H new ATOM 1259 N ASP B 32 20.090 7.145 -2.111 1.00 10.00 N ATOM 1260 CA ASP B 32 21.284 6.888 -1.265 1.00 10.00 C ATOM 1261 C ASP B 32 20.856 6.617 0.178 1.00 10.00 C ATOM 1262 O ASP B 32 21.249 5.636 0.775 1.00 10.00 O ATOM 1263 CB ASP B 32 22.103 8.170 -1.367 1.00 10.00 C ATOM 1264 CG ASP B 32 23.567 7.825 -1.639 1.00 10.00 C ATOM 1265 OD1 ASP B 32 24.172 7.182 -0.796 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.060 8.206 -2.689 1.00 10.00 O ATOM 0 H ASP B 32 20.045 8.077 -2.523 1.00 10.00 H new ATOM 0 HA ASP B 32 21.854 6.016 -1.585 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.713 8.800 -2.167 1.00 10.00 H new ATOM 0 HB3 ASP B 32 22.020 8.741 -0.442 1.00 10.00 H new ATOM 1271 N PHE B 33 20.044 7.468 0.745 1.00 10.00 N ATOM 1272 CA PHE B 33 19.595 7.223 2.144 1.00 10.00 C ATOM 1273 C PHE B 33 18.946 5.842 2.229 1.00 10.00 C ATOM 1274 O PHE B 33 19.279 5.038 3.077 1.00 10.00 O ATOM 1275 CB PHE B 33 18.569 8.310 2.454 1.00 10.00 C ATOM 1276 CG PHE B 33 17.866 7.962 3.744 1.00 10.00 C ATOM 1277 CD1 PHE B 33 16.710 7.171 3.720 1.00 10.00 C ATOM 1278 CD2 PHE B 33 18.373 8.423 4.965 1.00 10.00 C ATOM 1279 CE1 PHE B 33 16.064 6.839 4.918 1.00 10.00 C ATOM 1280 CE2 PHE B 33 17.726 8.092 6.162 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.571 7.301 6.138 1.00 10.00 C ATOM 0 H PHE B 33 19.676 8.312 0.306 1.00 10.00 H new ATOM 0 HA PHE B 33 20.423 7.251 2.852 1.00 10.00 H new ATOM 0 HB2 PHE B 33 19.061 9.279 2.542 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.848 8.391 1.641 1.00 10.00 H new ATOM 0 HD1 PHE B 33 16.317 6.817 2.778 1.00 10.00 H new ATOM 0 HD2 PHE B 33 19.263 9.034 4.984 1.00 10.00 H new ATOM 0 HE1 PHE B 33 15.175 6.226 4.900 1.00 10.00 H new ATOM 0 HE2 PHE B 33 18.118 8.447 7.104 1.00 10.00 H new ATOM 0 HZ PHE B 33 16.071 7.047 7.061 1.00 10.00 H new ATOM 1291 N ALA B 34 18.027 5.558 1.346 1.00 10.00 N ATOM 1292 CA ALA B 34 17.365 4.226 1.369 1.00 10.00 C ATOM 1293 C ALA B 34 18.425 3.131 1.501 1.00 10.00 C ATOM 1294 O ALA B 34 18.187 2.086 2.073 1.00 10.00 O ATOM 1295 CB ALA B 34 16.643 4.118 0.024 1.00 10.00 C ATOM 0 H ALA B 34 17.708 6.190 0.612 1.00 10.00 H new ATOM 0 HA ALA B 34 16.675 4.113 2.206 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.128 3.159 -0.037 1.00 10.00 H new ATOM 0 HB2 ALA B 34 15.917 4.926 -0.065 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.369 4.192 -0.786 1.00 10.00 H new ATOM 1301 N VAL B 35 19.601 3.369 0.981 1.00 10.00 N ATOM 1302 CA VAL B 35 20.682 2.359 1.076 1.00 10.00 C ATOM 1303 C VAL B 35 21.313 2.408 2.471 1.00 10.00 C ATOM 1304 O VAL B 35 21.437 1.403 3.142 1.00 10.00 O ATOM 1305 CB VAL B 35 21.676 2.791 -0.003 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.073 2.282 0.331 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.233 2.219 -1.347 1.00 10.00 C ATOM 0 H VAL B 35 19.855 4.228 0.492 1.00 10.00 H new ATOM 0 HA VAL B 35 20.340 1.334 0.931 1.00 10.00 H new ATOM 0 HB VAL B 35 21.702 3.880 -0.052 1.00 10.00 H new ATOM 0 HG11 VAL B 35 23.770 2.597 -0.445 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.390 2.691 1.290 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.060 1.194 0.387 1.00 10.00 H new ATOM 0 HG21 VAL B 35 21.937 2.523 -2.122 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.206 1.131 -1.288 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.239 2.594 -1.592 1.00 10.00 H new ATOM 1317 N GLU B 36 21.706 3.570 2.914 1.00 10.00 N ATOM 1318 CA GLU B 36 22.319 3.682 4.266 1.00 10.00 C ATOM 1319 C GLU B 36 21.477 2.903 5.282 1.00 10.00 C ATOM 1320 O GLU B 36 21.995 2.298 6.199 1.00 10.00 O ATOM 1321 CB GLU B 36 22.321 5.188 4.568 1.00 10.00 C ATOM 1322 CG GLU B 36 21.582 5.470 5.879 1.00 10.00 C ATOM 1323 CD GLU B 36 22.464 5.069 7.062 1.00 10.00 C ATOM 1324 OE1 GLU B 36 23.234 4.134 6.912 1.00 10.00 O ATOM 1325 OE2 GLU B 36 22.358 5.704 8.098 1.00 10.00 O ATOM 0 H GLU B 36 21.629 4.446 2.398 1.00 10.00 H new ATOM 0 HA GLU B 36 23.325 3.266 4.317 1.00 10.00 H new ATOM 0 HB2 GLU B 36 23.347 5.550 4.636 1.00 10.00 H new ATOM 0 HB3 GLU B 36 21.845 5.730 3.751 1.00 10.00 H new ATOM 0 HG2 GLU B 36 21.328 6.528 5.944 1.00 10.00 H new ATOM 0 HG3 GLU B 36 20.645 4.914 5.907 1.00 10.00 H new ATOM 1332 N TYR B 37 20.182 2.911 5.120 1.00 10.00 N ATOM 1333 CA TYR B 37 19.304 2.168 6.070 1.00 10.00 C ATOM 1334 C TYR B 37 19.459 0.661 5.859 1.00 10.00 C ATOM 1335 O TYR B 37 19.953 -0.048 6.711 1.00 10.00 O ATOM 1336 CB TYR B 37 17.883 2.613 5.726 1.00 10.00 C ATOM 1337 CG TYR B 37 16.893 1.787 6.511 1.00 10.00 C ATOM 1338 CD1 TYR B 37 16.984 1.725 7.907 1.00 10.00 C ATOM 1339 CD2 TYR B 37 15.882 1.084 5.844 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.065 0.960 8.636 1.00 10.00 C ATOM 1341 CE2 TYR B 37 14.962 0.319 6.573 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.054 0.256 7.968 1.00 10.00 C ATOM 1343 OH TYR B 37 14.148 -0.497 8.686 1.00 10.00 O ATOM 0 H TYR B 37 19.693 3.400 4.370 1.00 10.00 H new ATOM 0 HA TYR B 37 19.554 2.372 7.111 1.00 10.00 H new ATOM 0 HB2 TYR B 37 17.755 3.670 5.958 1.00 10.00 H new ATOM 0 HB3 TYR B 37 17.703 2.497 4.657 1.00 10.00 H new ATOM 0 HD1 TYR B 37 17.763 2.267 8.422 1.00 10.00 H new ATOM 0 HD2 TYR B 37 15.811 1.132 4.767 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.135 0.913 9.713 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.182 -0.222 6.058 1.00 10.00 H new ATOM 0 HH TYR B 37 13.513 -0.919 8.070 1.00 10.00 H new ATOM 1353 N PHE B 38 19.044 0.168 4.725 1.00 10.00 N ATOM 1354 CA PHE B 38 19.172 -1.293 4.457 1.00 10.00 C ATOM 1355 C PHE B 38 20.648 -1.703 4.499 1.00 10.00 C ATOM 1356 O PHE B 38 21.021 -2.645 5.171 1.00 10.00 O ATOM 1357 CB PHE B 38 18.596 -1.489 3.054 1.00 10.00 C ATOM 1358 CG PHE B 38 17.107 -1.236 3.078 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.294 -1.928 3.983 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.541 -0.310 2.195 1.00 10.00 C ATOM 1361 CE1 PHE B 38 14.913 -1.693 4.005 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.161 -0.075 2.216 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.347 -0.766 3.122 1.00 10.00 C ATOM 0 H PHE B 38 18.622 0.713 3.973 1.00 10.00 H new ATOM 0 HA PHE B 38 18.651 -1.901 5.196 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.079 -0.809 2.353 1.00 10.00 H new ATOM 0 HB3 PHE B 38 18.797 -2.502 2.705 1.00 10.00 H new ATOM 0 HD1 PHE B 38 16.731 -2.643 4.664 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.169 0.224 1.497 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.285 -2.227 4.703 1.00 10.00 H new ATOM 0 HE2 PHE B 38 14.724 0.639 1.534 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.283 -0.584 3.139 1.00 10.00 H new ATOM 1373 N THR B 39 21.490 -1.001 3.789 1.00 10.00 N ATOM 1374 CA THR B 39 22.940 -1.351 3.796 1.00 10.00 C ATOM 1375 C THR B 39 23.427 -1.523 5.236 1.00 10.00 C ATOM 1376 O THR B 39 24.203 -2.408 5.538 1.00 10.00 O ATOM 1377 CB THR B 39 23.644 -0.166 3.128 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.225 -0.066 1.774 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.157 -0.374 3.182 1.00 10.00 C ATOM 0 H THR B 39 21.238 -0.203 3.206 1.00 10.00 H new ATOM 0 HA THR B 39 23.143 -2.286 3.274 1.00 10.00 H new ATOM 0 HB THR B 39 23.386 0.753 3.655 1.00 10.00 H new ATOM 0 HG1 THR B 39 24.011 -0.010 1.192 1.00 10.00 H new ATOM 0 HG21 THR B 39 25.657 0.470 2.706 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.477 -0.447 4.221 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.417 -1.293 2.657 1.00 10.00 H new ATOM 1387 N ARG B 40 22.973 -0.686 6.127 1.00 10.00 N ATOM 1388 CA ARG B 40 23.403 -0.803 7.547 1.00 10.00 C ATOM 1389 C ARG B 40 22.548 -1.851 8.264 1.00 10.00 C ATOM 1390 O ARG B 40 22.965 -2.445 9.239 1.00 10.00 O ATOM 1391 CB ARG B 40 23.171 0.584 8.147 1.00 10.00 C ATOM 1392 CG ARG B 40 24.031 0.750 9.399 1.00 10.00 C ATOM 1393 CD ARG B 40 24.403 2.224 9.568 1.00 10.00 C ATOM 1394 NE ARG B 40 23.477 2.733 10.617 1.00 10.00 N ATOM 1395 CZ ARG B 40 23.758 2.550 11.876 1.00 10.00 C ATOM 1396 NH1 ARG B 40 23.358 1.466 12.483 1.00 10.00 N ATOM 1397 NH2 ARG B 40 24.441 3.450 12.529 1.00 10.00 N ATOM 0 H ARG B 40 22.322 0.075 5.932 1.00 10.00 H new ATOM 0 HA ARG B 40 24.442 -1.116 7.644 1.00 10.00 H new ATOM 0 HB2 ARG B 40 23.421 1.354 7.417 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.118 0.712 8.397 1.00 10.00 H new ATOM 0 HG2 ARG B 40 23.488 0.398 10.276 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.933 0.143 9.317 1.00 10.00 H new ATOM 0 HD2 ARG B 40 25.444 2.337 9.871 1.00 10.00 H new ATOM 0 HD3 ARG B 40 24.282 2.772 8.634 1.00 10.00 H new ATOM 0 HE ARG B 40 22.624 3.224 10.350 1.00 10.00 H new ATOM 0 HH11 ARG B 40 22.825 0.762 11.972 1.00 10.00 H new ATOM 0 HH12 ARG B 40 23.578 1.323 13.469 1.00 10.00 H new ATOM 0 HH21 ARG B 40 24.755 4.296 12.054 1.00 10.00 H new ATOM 0 HH22 ARG B 40 24.661 3.307 13.515 1.00 10.00 H new ATOM 1411 N LEU B 41 21.353 -2.081 7.789 1.00 10.00 N ATOM 1412 CA LEU B 41 20.472 -3.091 8.441 1.00 10.00 C ATOM 1413 C LEU B 41 21.236 -4.403 8.637 1.00 10.00 C ATOM 1414 O LEU B 41 21.340 -4.906 9.738 1.00 10.00 O ATOM 1415 CB LEU B 41 19.300 -3.286 7.478 1.00 10.00 C ATOM 1416 CG LEU B 41 18.165 -4.027 8.190 1.00 10.00 C ATOM 1417 CD1 LEU B 41 17.933 -3.408 9.571 1.00 10.00 C ATOM 1418 CD2 LEU B 41 16.883 -3.909 7.363 1.00 10.00 C ATOM 0 H LEU B 41 20.950 -1.613 6.978 1.00 10.00 H new ATOM 0 HA LEU B 41 20.132 -2.769 9.426 1.00 10.00 H new ATOM 0 HB2 LEU B 41 18.947 -2.319 7.119 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.625 -3.851 6.604 1.00 10.00 H new ATOM 0 HG LEU B 41 18.435 -5.077 8.303 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.125 -3.937 10.076 1.00 10.00 H new ATOM 0 HD12 LEU B 41 18.845 -3.488 10.163 1.00 10.00 H new ATOM 0 HD13 LEU B 41 17.664 -2.358 9.458 1.00 10.00 H new ATOM 0 HD21 LEU B 41 16.074 -4.436 7.869 1.00 10.00 H new ATOM 0 HD22 LEU B 41 16.617 -2.858 7.252 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.043 -4.349 6.379 1.00 10.00 H new ATOM 1430 N ARG B 42 21.773 -4.958 7.582 1.00 10.00 N ATOM 1431 CA ARG B 42 22.532 -6.238 7.726 1.00 10.00 C ATOM 1432 C ARG B 42 23.316 -6.224 9.039 1.00 10.00 C ATOM 1433 O ARG B 42 23.397 -7.214 9.739 1.00 10.00 O ATOM 1434 CB ARG B 42 23.498 -6.307 6.536 1.00 10.00 C ATOM 1435 CG ARG B 42 23.767 -4.906 5.986 1.00 10.00 C ATOM 1436 CD ARG B 42 22.896 -4.684 4.749 1.00 10.00 C ATOM 1437 NE ARG B 42 23.568 -5.445 3.655 1.00 10.00 N ATOM 1438 CZ ARG B 42 24.865 -5.390 3.518 1.00 10.00 C ATOM 1439 NH1 ARG B 42 25.469 -4.235 3.457 1.00 10.00 N ATOM 1440 NH2 ARG B 42 25.560 -6.493 3.448 1.00 10.00 N ATOM 0 H ARG B 42 21.720 -4.585 6.634 1.00 10.00 H new ATOM 0 HA ARG B 42 21.865 -7.100 7.740 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.435 -6.769 6.847 1.00 10.00 H new ATOM 0 HB3 ARG B 42 23.076 -6.937 5.753 1.00 10.00 H new ATOM 0 HG2 ARG B 42 23.544 -4.155 6.744 1.00 10.00 H new ATOM 0 HG3 ARG B 42 24.821 -4.798 5.729 1.00 10.00 H new ATOM 0 HD2 ARG B 42 21.880 -5.044 4.913 1.00 10.00 H new ATOM 0 HD3 ARG B 42 22.823 -3.624 4.504 1.00 10.00 H new ATOM 0 HE ARG B 42 23.012 -6.010 3.013 1.00 10.00 H new ATOM 0 HH11 ARG B 42 24.928 -3.373 3.516 1.00 10.00 H new ATOM 0 HH12 ARG B 42 26.483 -4.195 3.350 1.00 10.00 H new ATOM 0 HH21 ARG B 42 25.089 -7.396 3.500 1.00 10.00 H new ATOM 0 HH22 ARG B 42 26.574 -6.451 3.341 1.00 10.00 H new