USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -140:sc= -0.473 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.21! C(o=-1.2!,f=-1.5!) USER MOD Single : A 31 MET CE :methyl 139:sc= -2.18 (180deg=-5.59!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -50:sc= -1.8 USER MOD Single : A 41 LYS NZ :NH3+ -116:sc= -1.65! (180deg=-5.15!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.043) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.0289 USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 62 ASN : amide:sc= -3.17 K(o=-3.2,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -9.064 3.059 2.204 1.00 0.00 N ATOM 180 CA PHE A 15 -8.369 2.683 3.430 1.00 0.00 C ATOM 181 C PHE A 15 -8.757 3.606 4.580 1.00 0.00 C ATOM 182 O PHE A 15 -9.088 4.773 4.369 1.00 0.00 O ATOM 183 CB PHE A 15 -6.854 2.725 3.216 1.00 0.00 C ATOM 184 CG PHE A 15 -6.312 1.504 2.529 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.348 0.268 3.153 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.766 1.593 1.258 1.00 0.00 C ATOM 187 CE1 PHE A 15 -5.849 -0.857 2.523 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.266 0.472 0.623 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.308 -0.755 1.256 1.00 0.00 C ATOM 0 HA PHE A 15 -8.665 1.666 3.688 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.603 3.606 2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.362 2.837 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.771 0.182 4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.731 2.550 0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.882 -1.815 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.843 0.555 -0.367 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.919 -1.633 0.761 1.00 0.00 H new ATOM 199 N SER A 16 -8.714 3.075 5.798 1.00 0.00 N ATOM 200 CA SER A 16 -9.066 3.849 6.983 1.00 0.00 C ATOM 201 C SER A 16 -7.832 4.128 7.836 1.00 0.00 C ATOM 202 O SER A 16 -6.847 3.391 7.781 1.00 0.00 O ATOM 203 CB SER A 16 -10.115 3.106 7.811 1.00 0.00 C ATOM 204 OG SER A 16 -11.335 2.986 7.100 1.00 0.00 O ATOM 0 H SER A 16 -8.439 2.112 5.990 1.00 0.00 H new ATOM 0 HA SER A 16 -9.482 4.801 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.743 2.115 8.070 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.287 3.637 8.747 1.00 0.00 H new ATOM 0 HG SER A 16 -11.988 2.506 7.650 1.00 0.00 H new ATOM 210 N ASP A 17 -7.893 5.196 8.623 1.00 0.00 N ATOM 211 CA ASP A 17 -6.782 5.572 9.489 1.00 0.00 C ATOM 212 C ASP A 17 -6.108 4.336 10.077 1.00 0.00 C ATOM 213 O ASP A 17 -4.881 4.248 10.121 1.00 0.00 O ATOM 214 CB ASP A 17 -7.271 6.486 10.614 1.00 0.00 C ATOM 215 CG ASP A 17 -7.677 7.857 10.111 1.00 0.00 C ATOM 216 OD1 ASP A 17 -6.778 8.660 9.787 1.00 0.00 O ATOM 217 OD2 ASP A 17 -8.895 8.127 10.042 1.00 0.00 O ATOM 0 H ASP A 17 -8.700 5.817 8.679 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.050 6.110 8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.120 6.020 11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.483 6.594 11.359 1.00 0.00 H new ATOM 222 N ARG A 18 -6.919 3.385 10.528 1.00 0.00 N ATOM 223 CA ARG A 18 -6.402 2.155 11.116 1.00 0.00 C ATOM 224 C ARG A 18 -5.556 1.384 10.107 1.00 0.00 C ATOM 225 O ARG A 18 -4.395 1.067 10.368 1.00 0.00 O ATOM 226 CB ARG A 18 -7.553 1.277 11.609 1.00 0.00 C ATOM 227 CG ARG A 18 -8.182 1.767 12.903 1.00 0.00 C ATOM 228 CD ARG A 18 -7.248 1.571 14.087 1.00 0.00 C ATOM 229 NE ARG A 18 -7.980 1.370 15.334 1.00 0.00 N ATOM 230 CZ ARG A 18 -8.659 0.264 15.619 1.00 0.00 C ATOM 231 NH1 ARG A 18 -8.697 -0.736 14.749 1.00 0.00 N ATOM 232 NH2 ARG A 18 -9.300 0.156 16.775 1.00 0.00 N ATOM 0 H ARG A 18 -7.937 3.442 10.498 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.771 2.424 11.963 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.321 1.231 10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.187 0.261 11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.435 2.823 12.809 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.114 1.231 13.081 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.604 0.711 13.902 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.598 2.441 14.184 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.970 2.120 16.025 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.204 -0.657 13.859 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.219 -1.584 14.970 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.272 0.923 17.447 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.821 -0.694 16.992 1.00 0.00 H new ATOM 246 N ASP A 19 -6.146 1.085 8.954 1.00 0.00 N ATOM 247 CA ASP A 19 -5.447 0.352 7.905 1.00 0.00 C ATOM 248 C ASP A 19 -4.221 1.124 7.427 1.00 0.00 C ATOM 249 O ASP A 19 -3.101 0.612 7.456 1.00 0.00 O ATOM 250 CB ASP A 19 -6.387 0.083 6.729 1.00 0.00 C ATOM 251 CG ASP A 19 -7.503 -0.878 7.088 1.00 0.00 C ATOM 252 OD1 ASP A 19 -8.406 -0.478 7.852 1.00 0.00 O ATOM 253 OD2 ASP A 19 -7.473 -2.030 6.606 1.00 0.00 O ATOM 0 H ASP A 19 -7.106 1.339 8.723 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.115 -0.600 8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.818 1.025 6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.814 -0.325 5.896 1.00 0.00 H new ATOM 258 N LEU A 20 -4.441 2.358 6.986 1.00 0.00 N ATOM 259 CA LEU A 20 -3.354 3.201 6.500 1.00 0.00 C ATOM 260 C LEU A 20 -2.125 3.076 7.395 1.00 0.00 C ATOM 261 O LEU A 20 -1.019 2.830 6.917 1.00 0.00 O ATOM 262 CB LEU A 20 -3.805 4.662 6.435 1.00 0.00 C ATOM 263 CG LEU A 20 -4.612 5.060 5.199 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.219 6.443 5.381 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.737 5.019 3.954 1.00 0.00 C ATOM 0 H LEU A 20 -5.361 2.797 6.955 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.087 2.864 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.404 4.876 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.921 5.297 6.487 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.423 4.343 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.790 6.710 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.879 6.439 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.423 7.172 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.328 5.305 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.905 5.713 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.351 4.009 3.814 1.00 0.00 H new ATOM 277 N ALA A 21 -2.329 3.246 8.698 1.00 0.00 N ATOM 278 CA ALA A 21 -1.239 3.147 9.660 1.00 0.00 C ATOM 279 C ALA A 21 -0.240 2.070 9.251 1.00 0.00 C ATOM 280 O ALA A 21 0.963 2.322 9.171 1.00 0.00 O ATOM 281 CB ALA A 21 -1.787 2.861 11.051 1.00 0.00 C ATOM 0 H ALA A 21 -3.239 3.453 9.111 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.715 4.103 9.677 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.962 2.790 11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.455 3.668 11.352 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.337 1.920 11.039 1.00 0.00 H new ATOM 287 N THR A 22 -0.745 0.868 8.992 1.00 0.00 N ATOM 288 CA THR A 22 0.102 -0.248 8.593 1.00 0.00 C ATOM 289 C THR A 22 0.925 0.101 7.358 1.00 0.00 C ATOM 290 O THR A 22 2.142 -0.087 7.337 1.00 0.00 O ATOM 291 CB THR A 22 -0.731 -1.510 8.301 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.558 -1.823 9.427 1.00 0.00 O ATOM 293 CG2 THR A 22 0.172 -2.693 7.984 1.00 0.00 C ATOM 0 H THR A 22 -1.738 0.643 9.052 1.00 0.00 H new ATOM 0 HA THR A 22 0.772 -0.450 9.428 1.00 0.00 H new ATOM 0 HB THR A 22 -1.360 -1.310 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.573 -2.794 9.562 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.439 -3.573 7.781 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.779 -2.463 7.108 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.823 -2.892 8.835 1.00 0.00 H new ATOM 301 N LEU A 23 0.254 0.611 6.331 1.00 0.00 N ATOM 302 CA LEU A 23 0.924 0.988 5.091 1.00 0.00 C ATOM 303 C LEU A 23 1.983 2.056 5.347 1.00 0.00 C ATOM 304 O LEU A 23 3.172 1.835 5.116 1.00 0.00 O ATOM 305 CB LEU A 23 -0.096 1.499 4.072 1.00 0.00 C ATOM 306 CG LEU A 23 -0.791 0.432 3.226 1.00 0.00 C ATOM 307 CD1 LEU A 23 -1.997 1.020 2.511 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.183 -0.172 2.224 1.00 0.00 C ATOM 0 H LEU A 23 -0.753 0.773 6.332 1.00 0.00 H new ATOM 0 HA LEU A 23 1.417 0.103 4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.859 2.066 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.408 2.195 3.401 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.138 -0.361 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.479 0.246 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.704 1.404 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.674 1.832 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.329 -0.930 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.560 0.611 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.016 -0.630 2.757 1.00 0.00 H new ATOM 320 N LYS A 24 1.543 3.214 5.827 1.00 0.00 N ATOM 321 CA LYS A 24 2.452 4.317 6.118 1.00 0.00 C ATOM 322 C LYS A 24 3.690 3.820 6.859 1.00 0.00 C ATOM 323 O LYS A 24 4.789 4.344 6.673 1.00 0.00 O ATOM 324 CB LYS A 24 1.740 5.385 6.951 1.00 0.00 C ATOM 325 CG LYS A 24 0.748 6.216 6.156 1.00 0.00 C ATOM 326 CD LYS A 24 -0.342 6.786 7.047 1.00 0.00 C ATOM 327 CE LYS A 24 0.211 7.828 8.007 1.00 0.00 C ATOM 328 NZ LYS A 24 -0.873 8.625 8.646 1.00 0.00 N ATOM 0 H LYS A 24 0.562 3.413 6.023 1.00 0.00 H new ATOM 0 HA LYS A 24 2.768 4.755 5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.217 4.901 7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.486 6.047 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.273 7.030 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.298 5.600 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.120 7.235 6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.809 5.980 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.801 7.334 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.884 8.496 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.455 9.324 9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.421 9.117 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.501 7.991 9.180 1.00 0.00 H new ATOM 342 N LYS A 25 3.505 2.807 7.698 1.00 0.00 N ATOM 343 CA LYS A 25 4.606 2.237 8.465 1.00 0.00 C ATOM 344 C LYS A 25 5.744 1.807 7.545 1.00 0.00 C ATOM 345 O LYS A 25 6.897 2.189 7.747 1.00 0.00 O ATOM 346 CB LYS A 25 4.118 1.040 9.285 1.00 0.00 C ATOM 347 CG LYS A 25 4.983 0.741 10.497 1.00 0.00 C ATOM 348 CD LYS A 25 6.251 -0.001 10.107 1.00 0.00 C ATOM 349 CE LYS A 25 7.218 -0.104 11.277 1.00 0.00 C ATOM 350 NZ LYS A 25 8.628 -0.246 10.819 1.00 0.00 N ATOM 0 H LYS A 25 2.602 2.363 7.864 1.00 0.00 H new ATOM 0 HA LYS A 25 4.980 3.005 9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.097 1.229 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.088 0.159 8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.245 1.673 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.416 0.144 11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.996 -1.001 9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.735 0.514 9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.127 0.784 11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.949 -0.960 11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.256 -0.313 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.721 -1.107 10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.893 0.583 10.249 1.00 0.00 H new ATOM 364 N TYR A 26 5.413 1.011 6.534 1.00 0.00 N ATOM 365 CA TYR A 26 6.408 0.528 5.584 1.00 0.00 C ATOM 366 C TYR A 26 6.981 1.679 4.763 1.00 0.00 C ATOM 367 O TYR A 26 8.155 1.666 4.391 1.00 0.00 O ATOM 368 CB TYR A 26 5.790 -0.518 4.654 1.00 0.00 C ATOM 369 CG TYR A 26 5.705 -1.898 5.267 1.00 0.00 C ATOM 370 CD1 TYR A 26 6.853 -2.640 5.517 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.478 -2.460 5.594 1.00 0.00 C ATOM 372 CE1 TYR A 26 6.780 -3.901 6.075 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.395 -3.720 6.154 1.00 0.00 C ATOM 374 CZ TYR A 26 5.549 -4.437 6.393 1.00 0.00 C ATOM 375 OH TYR A 26 5.472 -5.693 6.949 1.00 0.00 O ATOM 0 H TYR A 26 4.463 0.687 6.351 1.00 0.00 H new ATOM 0 HA TYR A 26 7.220 0.069 6.149 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.789 -0.193 4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.379 -0.572 3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.819 -2.223 5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.572 -1.902 5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.682 -4.465 6.262 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.432 -4.141 6.403 1.00 0.00 H new ATOM 0 HH TYR A 26 4.533 -5.921 7.113 1.00 0.00 H new ATOM 385 N TRP A 27 6.145 2.673 4.486 1.00 0.00 N ATOM 386 CA TRP A 27 6.568 3.833 3.710 1.00 0.00 C ATOM 387 C TRP A 27 7.784 4.499 4.345 1.00 0.00 C ATOM 388 O TRP A 27 8.614 5.087 3.651 1.00 0.00 O ATOM 389 CB TRP A 27 5.422 4.840 3.594 1.00 0.00 C ATOM 390 CG TRP A 27 5.817 6.114 2.911 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.659 7.075 3.392 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.385 6.565 1.622 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.776 8.097 2.481 1.00 0.00 N ATOM 394 CE2 TRP A 27 6.005 7.808 1.387 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.537 6.039 0.644 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.801 8.530 0.214 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.335 6.758 -0.518 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.965 7.992 -0.726 1.00 0.00 C ATOM 0 H TRP A 27 5.171 2.699 4.787 1.00 0.00 H new ATOM 0 HA TRP A 27 6.844 3.491 2.713 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.600 4.382 3.045 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.049 5.072 4.592 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.160 7.037 4.348 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.345 8.935 2.600 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.048 5.088 0.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.286 9.481 0.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.680 6.362 -1.280 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.787 8.529 -1.646 1.00 0.00 H new ATOM 409 N ASP A 28 7.883 4.403 5.666 1.00 0.00 N ATOM 410 CA ASP A 28 8.999 4.995 6.394 1.00 0.00 C ATOM 411 C ASP A 28 10.315 4.322 6.013 1.00 0.00 C ATOM 412 O ASP A 28 11.392 4.804 6.358 1.00 0.00 O ATOM 413 CB ASP A 28 8.771 4.880 7.902 1.00 0.00 C ATOM 414 CG ASP A 28 10.064 4.956 8.690 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.654 6.054 8.757 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.485 3.917 9.241 1.00 0.00 O ATOM 0 H ASP A 28 7.204 3.921 6.255 1.00 0.00 H new ATOM 0 HA ASP A 28 9.059 6.049 6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.103 5.678 8.227 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.271 3.936 8.120 1.00 0.00 H new ATOM 421 N ASN A 29 10.217 3.204 5.301 1.00 0.00 N ATOM 422 CA ASN A 29 11.399 2.463 4.876 1.00 0.00 C ATOM 423 C ASN A 29 11.635 2.630 3.377 1.00 0.00 C ATOM 424 O ASN A 29 12.310 1.815 2.750 1.00 0.00 O ATOM 425 CB ASN A 29 11.247 0.980 5.217 1.00 0.00 C ATOM 426 CG ASN A 29 12.391 0.142 4.677 1.00 0.00 C ATOM 427 OD1 ASN A 29 12.175 -0.832 3.956 1.00 0.00 O ATOM 428 ND2 ASN A 29 13.616 0.519 5.026 1.00 0.00 N ATOM 0 H ASN A 29 9.332 2.792 5.006 1.00 0.00 H new ATOM 0 HA ASN A 29 12.261 2.865 5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.194 0.863 6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.306 0.611 4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.425 -0.006 4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.747 1.333 5.626 1.00 0.00 H new ATOM 435 N GLY A 30 11.074 3.694 2.810 1.00 0.00 N ATOM 436 CA GLY A 30 11.235 3.949 1.391 1.00 0.00 C ATOM 437 C GLY A 30 10.318 3.093 0.540 1.00 0.00 C ATOM 438 O GLY A 30 10.659 2.739 -0.589 1.00 0.00 O ATOM 0 H GLY A 30 10.511 4.383 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.035 5.001 1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.270 3.761 1.106 1.00 0.00 H new ATOM 442 N MET A 31 9.152 2.758 1.082 1.00 0.00 N ATOM 443 CA MET A 31 8.184 1.937 0.365 1.00 0.00 C ATOM 444 C MET A 31 7.464 2.754 -0.703 1.00 0.00 C ATOM 445 O MET A 31 6.236 2.730 -0.796 1.00 0.00 O ATOM 446 CB MET A 31 7.166 1.341 1.340 1.00 0.00 C ATOM 447 CG MET A 31 6.611 -0.002 0.894 1.00 0.00 C ATOM 448 SD MET A 31 4.980 -0.343 1.582 1.00 0.00 S ATOM 449 CE MET A 31 4.027 0.999 0.876 1.00 0.00 C ATOM 0 H MET A 31 8.855 3.042 2.015 1.00 0.00 H new ATOM 0 HA MET A 31 8.724 1.127 -0.125 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.636 1.224 2.317 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.341 2.042 1.465 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.554 -0.024 -0.194 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.299 -0.792 1.193 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.053 0.626 0.558 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.890 1.781 1.623 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.557 1.408 0.016 1.00 0.00 H new ATOM 459 N THR A 32 8.236 3.478 -1.509 1.00 0.00 N ATOM 460 CA THR A 32 7.672 4.303 -2.569 1.00 0.00 C ATOM 461 C THR A 32 8.091 3.794 -3.944 1.00 0.00 C ATOM 462 O THR A 32 8.465 4.576 -4.818 1.00 0.00 O ATOM 463 CB THR A 32 8.103 5.775 -2.425 1.00 0.00 C ATOM 464 OG1 THR A 32 9.508 5.899 -2.673 1.00 0.00 O ATOM 465 CG2 THR A 32 7.780 6.300 -1.035 1.00 0.00 C ATOM 0 H THR A 32 9.254 3.509 -1.447 1.00 0.00 H new ATOM 0 HA THR A 32 6.588 4.239 -2.476 1.00 0.00 H new ATOM 0 HB THR A 32 7.551 6.366 -3.156 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.775 6.838 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.093 7.341 -0.957 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.706 6.230 -0.860 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.308 5.705 -0.290 1.00 0.00 H new ATOM 473 N SER A 33 8.024 2.480 -4.128 1.00 0.00 N ATOM 474 CA SER A 33 8.400 1.866 -5.397 1.00 0.00 C ATOM 475 C SER A 33 7.610 0.583 -5.635 1.00 0.00 C ATOM 476 O SER A 33 7.136 -0.052 -4.692 1.00 0.00 O ATOM 477 CB SER A 33 9.900 1.566 -5.418 1.00 0.00 C ATOM 478 OG SER A 33 10.409 1.604 -6.740 1.00 0.00 O ATOM 0 H SER A 33 7.713 1.820 -3.415 1.00 0.00 H new ATOM 0 HA SER A 33 8.166 2.570 -6.196 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.428 2.293 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.084 0.584 -4.982 1.00 0.00 H new ATOM 0 HG SER A 33 11.370 1.411 -6.726 1.00 0.00 H new ATOM 484 N LEU A 34 7.473 0.207 -6.901 1.00 0.00 N ATOM 485 CA LEU A 34 6.740 -1.001 -7.266 1.00 0.00 C ATOM 486 C LEU A 34 7.697 -2.159 -7.532 1.00 0.00 C ATOM 487 O LEU A 34 7.385 -3.314 -7.247 1.00 0.00 O ATOM 488 CB LEU A 34 5.876 -0.744 -8.501 1.00 0.00 C ATOM 489 CG LEU A 34 4.577 0.027 -8.263 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.199 0.830 -9.498 1.00 0.00 C ATOM 491 CD2 LEU A 34 3.454 -0.925 -7.880 1.00 0.00 C ATOM 0 H LEU A 34 7.860 0.721 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 34 6.095 -1.272 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.473 -0.195 -9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.627 -1.705 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 34 4.735 0.721 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.272 1.372 -9.310 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.994 1.539 -9.728 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.060 0.155 -10.342 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.537 -0.359 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.296 -1.644 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.723 -1.456 -6.967 1.00 0.00 H new ATOM 503 N GLY A 35 8.866 -1.840 -8.080 1.00 0.00 N ATOM 504 CA GLY A 35 9.852 -2.864 -8.374 1.00 0.00 C ATOM 505 C GLY A 35 10.084 -3.798 -7.204 1.00 0.00 C ATOM 506 O GLY A 35 9.582 -3.563 -6.104 1.00 0.00 O ATOM 0 H GLY A 35 9.148 -0.891 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.524 -3.443 -9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.794 -2.389 -8.648 1.00 0.00 H new ATOM 510 N SER A 36 10.844 -4.862 -7.439 1.00 0.00 N ATOM 511 CA SER A 36 11.137 -5.839 -6.397 1.00 0.00 C ATOM 512 C SER A 36 11.781 -5.166 -5.188 1.00 0.00 C ATOM 513 O SER A 36 11.547 -5.561 -4.046 1.00 0.00 O ATOM 514 CB SER A 36 12.061 -6.932 -6.938 1.00 0.00 C ATOM 515 OG SER A 36 13.131 -6.375 -7.681 1.00 0.00 O ATOM 0 H SER A 36 11.269 -5.070 -8.343 1.00 0.00 H new ATOM 0 HA SER A 36 10.196 -6.291 -6.082 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.457 -7.520 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.492 -7.614 -7.570 1.00 0.00 H new ATOM 0 HG SER A 36 13.707 -7.094 -8.014 1.00 0.00 H new ATOM 521 N VAL A 37 12.593 -4.147 -5.448 1.00 0.00 N ATOM 522 CA VAL A 37 13.270 -3.418 -4.383 1.00 0.00 C ATOM 523 C VAL A 37 12.318 -3.117 -3.231 1.00 0.00 C ATOM 524 O VAL A 37 12.721 -3.097 -2.067 1.00 0.00 O ATOM 525 CB VAL A 37 13.867 -2.095 -4.899 1.00 0.00 C ATOM 526 CG1 VAL A 37 12.767 -1.174 -5.406 1.00 0.00 C ATOM 527 CG2 VAL A 37 14.682 -1.416 -3.808 1.00 0.00 C ATOM 0 H VAL A 37 12.798 -3.807 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 37 14.077 -4.058 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 37 14.533 -2.318 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.208 -0.245 -5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.231 -1.661 -6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.073 -0.955 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.096 -0.483 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.040 -1.205 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.494 -2.073 -3.498 1.00 0.00 H new ATOM 537 N CYS A 38 11.053 -2.884 -3.563 1.00 0.00 N ATOM 538 CA CYS A 38 10.041 -2.583 -2.556 1.00 0.00 C ATOM 539 C CYS A 38 9.057 -3.740 -2.412 1.00 0.00 C ATOM 540 O CYS A 38 8.525 -3.984 -1.329 1.00 0.00 O ATOM 541 CB CYS A 38 9.291 -1.302 -2.922 1.00 0.00 C ATOM 542 SG CYS A 38 10.138 0.217 -2.426 1.00 0.00 S ATOM 0 H CYS A 38 10.704 -2.898 -4.521 1.00 0.00 H new ATOM 0 HA CYS A 38 10.546 -2.438 -1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.133 -1.282 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.306 -1.325 -2.456 1.00 0.00 H new ATOM 0 HG CYS A 38 10.485 0.132 -1.176 1.00 0.00 H new ATOM 548 N ARG A 39 8.818 -4.447 -3.512 1.00 0.00 N ATOM 549 CA ARG A 39 7.896 -5.576 -3.509 1.00 0.00 C ATOM 550 C ARG A 39 8.084 -6.428 -2.257 1.00 0.00 C ATOM 551 O ARG A 39 7.123 -6.732 -1.552 1.00 0.00 O ATOM 552 CB ARG A 39 8.101 -6.433 -4.759 1.00 0.00 C ATOM 553 CG ARG A 39 6.892 -7.278 -5.124 1.00 0.00 C ATOM 554 CD ARG A 39 7.190 -8.201 -6.295 1.00 0.00 C ATOM 555 NE ARG A 39 8.313 -9.093 -6.016 1.00 0.00 N ATOM 556 CZ ARG A 39 8.925 -9.816 -6.947 1.00 0.00 C ATOM 557 NH1 ARG A 39 8.525 -9.754 -8.210 1.00 0.00 N ATOM 558 NH2 ARG A 39 9.939 -10.605 -6.616 1.00 0.00 N ATOM 0 H ARG A 39 9.250 -4.258 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 39 6.879 -5.183 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.346 -5.783 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.958 -7.088 -4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.587 -7.870 -4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.055 -6.627 -5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.304 -8.794 -6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.412 -7.604 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 39 8.645 -9.164 -5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.745 -9.150 -8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.997 -10.311 -8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.249 -10.657 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.408 -11.160 -7.332 1.00 0.00 H new ATOM 572 N GLU A 40 9.329 -6.811 -1.990 1.00 0.00 N ATOM 573 CA GLU A 40 9.641 -7.630 -0.825 1.00 0.00 C ATOM 574 C GLU A 40 8.821 -7.191 0.385 1.00 0.00 C ATOM 575 O GLU A 40 8.279 -8.020 1.116 1.00 0.00 O ATOM 576 CB GLU A 40 11.134 -7.546 -0.500 1.00 0.00 C ATOM 577 CG GLU A 40 12.029 -8.068 -1.612 1.00 0.00 C ATOM 578 CD GLU A 40 12.214 -9.571 -1.554 1.00 0.00 C ATOM 579 OE1 GLU A 40 11.381 -10.295 -2.137 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.194 -10.024 -0.925 1.00 0.00 O ATOM 0 H GLU A 40 10.136 -6.568 -2.564 1.00 0.00 H new ATOM 0 HA GLU A 40 9.385 -8.663 -1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.394 -6.508 -0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.332 -8.112 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.600 -7.795 -2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.003 -7.583 -1.547 1.00 0.00 H new ATOM 587 N LYS A 41 8.735 -5.881 0.590 1.00 0.00 N ATOM 588 CA LYS A 41 7.982 -5.329 1.710 1.00 0.00 C ATOM 589 C LYS A 41 6.482 -5.393 1.440 1.00 0.00 C ATOM 590 O LYS A 41 5.698 -5.744 2.322 1.00 0.00 O ATOM 591 CB LYS A 41 8.403 -3.881 1.970 1.00 0.00 C ATOM 592 CG LYS A 41 9.900 -3.708 2.162 1.00 0.00 C ATOM 593 CD LYS A 41 10.290 -3.814 3.627 1.00 0.00 C ATOM 594 CE LYS A 41 10.627 -5.246 4.012 1.00 0.00 C ATOM 595 NZ LYS A 41 9.434 -5.980 4.516 1.00 0.00 N ATOM 0 H LYS A 41 9.178 -5.181 -0.005 1.00 0.00 H new ATOM 0 HA LYS A 41 8.201 -5.928 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.078 -3.261 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.887 -3.515 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.432 -4.466 1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.208 -2.738 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.149 -3.172 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.472 -3.452 4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.036 -5.768 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.402 -5.243 4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.581 -6.238 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.593 -5.373 4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.293 -6.842 3.952 1.00 0.00 H new ATOM 609 N ILE A 42 6.090 -5.052 0.217 1.00 0.00 N ATOM 610 CA ILE A 42 4.685 -5.073 -0.169 1.00 0.00 C ATOM 611 C ILE A 42 4.069 -6.447 0.074 1.00 0.00 C ATOM 612 O ILE A 42 2.927 -6.556 0.517 1.00 0.00 O ATOM 613 CB ILE A 42 4.502 -4.695 -1.650 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.967 -3.258 -1.894 1.00 0.00 C ATOM 615 CG2 ILE A 42 3.047 -4.864 -2.064 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.288 -2.964 -3.343 1.00 0.00 C ATOM 0 H ILE A 42 6.726 -4.758 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 42 4.176 -4.335 0.451 1.00 0.00 H new ATOM 0 HB ILE A 42 5.113 -5.363 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.191 -2.571 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.852 -3.063 -1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.934 -4.593 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.747 -5.902 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.417 -4.218 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.611 -1.928 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.086 -3.626 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.399 -3.126 -3.953 1.00 0.00 H new ATOM 628 N GLU A 43 4.836 -7.493 -0.219 1.00 0.00 N ATOM 629 CA GLU A 43 4.365 -8.861 -0.032 1.00 0.00 C ATOM 630 C GLU A 43 3.988 -9.111 1.426 1.00 0.00 C ATOM 631 O GLU A 43 3.303 -10.083 1.742 1.00 0.00 O ATOM 632 CB GLU A 43 5.439 -9.858 -0.471 1.00 0.00 C ATOM 633 CG GLU A 43 5.638 -9.914 -1.976 1.00 0.00 C ATOM 634 CD GLU A 43 4.736 -10.933 -2.646 1.00 0.00 C ATOM 635 OE1 GLU A 43 4.648 -12.071 -2.139 1.00 0.00 O ATOM 636 OE2 GLU A 43 4.119 -10.593 -3.677 1.00 0.00 O ATOM 0 H GLU A 43 5.785 -7.420 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 43 3.477 -9.001 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.384 -9.593 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.170 -10.851 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.446 -8.929 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.678 -10.157 -2.192 1.00 0.00 H new ATOM 643 N ALA A 44 4.442 -8.227 2.309 1.00 0.00 N ATOM 644 CA ALA A 44 4.152 -8.351 3.732 1.00 0.00 C ATOM 645 C ALA A 44 2.919 -7.539 4.113 1.00 0.00 C ATOM 646 O ALA A 44 1.923 -8.087 4.585 1.00 0.00 O ATOM 647 CB ALA A 44 5.353 -7.910 4.555 1.00 0.00 C ATOM 0 H ALA A 44 5.012 -7.417 2.064 1.00 0.00 H new ATOM 0 HA ALA A 44 3.944 -9.399 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.123 -8.008 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.211 -8.536 4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.587 -6.870 4.329 1.00 0.00 H new ATOM 653 N VAL A 45 2.993 -6.227 3.907 1.00 0.00 N ATOM 654 CA VAL A 45 1.883 -5.339 4.230 1.00 0.00 C ATOM 655 C VAL A 45 0.573 -5.865 3.654 1.00 0.00 C ATOM 656 O VAL A 45 -0.505 -5.576 4.172 1.00 0.00 O ATOM 657 CB VAL A 45 2.130 -3.915 3.696 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.141 -3.909 2.175 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.080 -2.955 4.234 1.00 0.00 C ATOM 0 H VAL A 45 3.810 -5.756 3.518 1.00 0.00 H new ATOM 0 HA VAL A 45 1.811 -5.305 5.317 1.00 0.00 H new ATOM 0 HB VAL A 45 3.107 -3.580 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.317 -2.895 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.934 -4.564 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.180 -4.264 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.270 -1.954 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.090 -3.285 3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.127 -2.938 5.323 1.00 0.00 H new ATOM 669 N ALA A 46 0.675 -6.639 2.579 1.00 0.00 N ATOM 670 CA ALA A 46 -0.502 -7.208 1.933 1.00 0.00 C ATOM 671 C ALA A 46 -1.023 -8.415 2.707 1.00 0.00 C ATOM 672 O ALA A 46 -2.228 -8.558 2.918 1.00 0.00 O ATOM 673 CB ALA A 46 -0.180 -7.598 0.498 1.00 0.00 C ATOM 0 H ALA A 46 1.560 -6.887 2.137 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.284 -6.449 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.068 -8.021 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.138 -6.715 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.621 -8.337 0.493 1.00 0.00 H new ATOM 679 N THR A 47 -0.108 -9.283 3.128 1.00 0.00 N ATOM 680 CA THR A 47 -0.475 -10.478 3.876 1.00 0.00 C ATOM 681 C THR A 47 -0.872 -10.131 5.306 1.00 0.00 C ATOM 682 O THR A 47 -1.583 -10.890 5.964 1.00 0.00 O ATOM 683 CB THR A 47 0.680 -11.497 3.909 1.00 0.00 C ATOM 684 OG1 THR A 47 0.182 -12.790 4.272 1.00 0.00 O ATOM 685 CG2 THR A 47 1.754 -11.066 4.897 1.00 0.00 C ATOM 0 H THR A 47 0.893 -9.180 2.963 1.00 0.00 H new ATOM 0 HA THR A 47 -1.328 -10.923 3.363 1.00 0.00 H new ATOM 0 HB THR A 47 1.122 -11.544 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.922 -13.432 4.289 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.559 -11.801 4.903 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.151 -10.095 4.602 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.322 -10.993 5.895 1.00 0.00 H new ATOM 693 N GLU A 48 -0.409 -8.979 5.781 1.00 0.00 N ATOM 694 CA GLU A 48 -0.717 -8.532 7.135 1.00 0.00 C ATOM 695 C GLU A 48 -2.119 -7.935 7.205 1.00 0.00 C ATOM 696 O GLU A 48 -2.865 -8.182 8.154 1.00 0.00 O ATOM 697 CB GLU A 48 0.312 -7.501 7.602 1.00 0.00 C ATOM 698 CG GLU A 48 -0.136 -6.699 8.812 1.00 0.00 C ATOM 699 CD GLU A 48 -0.750 -7.568 9.893 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.193 -8.650 10.171 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.787 -7.166 10.460 1.00 0.00 O ATOM 0 H GLU A 48 0.180 -8.339 5.249 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.677 -9.399 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.244 -8.013 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.526 -6.816 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.718 -6.162 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.862 -5.949 8.498 1.00 0.00 H new ATOM 708 N LEU A 49 -2.472 -7.149 6.194 1.00 0.00 N ATOM 709 CA LEU A 49 -3.785 -6.515 6.140 1.00 0.00 C ATOM 710 C LEU A 49 -4.806 -7.434 5.475 1.00 0.00 C ATOM 711 O LEU A 49 -6.010 -7.197 5.551 1.00 0.00 O ATOM 712 CB LEU A 49 -3.703 -5.190 5.379 1.00 0.00 C ATOM 713 CG LEU A 49 -2.845 -4.100 6.022 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.708 -2.908 5.088 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.440 -3.670 7.355 1.00 0.00 C ATOM 0 H LEU A 49 -1.868 -6.935 5.401 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.110 -6.320 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.313 -5.390 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.714 -4.802 5.254 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.851 -4.508 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.094 -2.142 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.236 -3.226 4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.695 -2.499 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.816 -2.894 7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.446 -3.281 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.485 -4.527 8.027 1.00 0.00 H new ATOM 727 N ASN A 50 -4.314 -8.483 4.824 1.00 0.00 N ATOM 728 CA ASN A 50 -5.184 -9.439 4.147 1.00 0.00 C ATOM 729 C ASN A 50 -5.881 -8.790 2.955 1.00 0.00 C ATOM 730 O ASN A 50 -7.080 -8.975 2.747 1.00 0.00 O ATOM 731 CB ASN A 50 -6.225 -9.992 5.122 1.00 0.00 C ATOM 732 CG ASN A 50 -6.650 -11.405 4.774 1.00 0.00 C ATOM 733 OD1 ASN A 50 -7.597 -11.612 4.015 1.00 0.00 O ATOM 734 ND2 ASN A 50 -5.949 -12.387 5.329 1.00 0.00 N ATOM 0 H ASN A 50 -3.319 -8.693 4.751 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.566 -10.260 3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.816 -9.977 6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.100 -9.342 5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.188 -13.359 5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.172 -12.169 5.952 1.00 0.00 H new ATOM 741 N VAL A 51 -5.120 -8.029 2.174 1.00 0.00 N ATOM 742 CA VAL A 51 -5.664 -7.354 1.002 1.00 0.00 C ATOM 743 C VAL A 51 -4.858 -7.689 -0.248 1.00 0.00 C ATOM 744 O VAL A 51 -3.648 -7.909 -0.179 1.00 0.00 O ATOM 745 CB VAL A 51 -5.682 -5.826 1.192 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.609 -5.441 2.335 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.275 -5.302 1.437 1.00 0.00 C ATOM 0 H VAL A 51 -4.126 -7.865 2.332 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.687 -7.710 0.879 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.061 -5.369 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.609 -4.358 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.620 -5.782 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.263 -5.908 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.307 -4.221 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.865 -5.765 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.643 -5.545 0.583 1.00 0.00 H new ATOM 757 N ASP A 52 -5.536 -7.727 -1.390 1.00 0.00 N ATOM 758 CA ASP A 52 -4.883 -8.034 -2.657 1.00 0.00 C ATOM 759 C ASP A 52 -3.623 -7.193 -2.837 1.00 0.00 C ATOM 760 O ASP A 52 -3.682 -5.963 -2.848 1.00 0.00 O ATOM 761 CB ASP A 52 -5.844 -7.792 -3.822 1.00 0.00 C ATOM 762 CG ASP A 52 -5.507 -8.636 -5.036 1.00 0.00 C ATOM 763 OD1 ASP A 52 -5.542 -9.878 -4.922 1.00 0.00 O ATOM 764 OD2 ASP A 52 -5.207 -8.053 -6.099 1.00 0.00 O ATOM 0 H ASP A 52 -6.538 -7.549 -1.464 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.597 -9.086 -2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.862 -8.013 -3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.818 -6.738 -4.098 1.00 0.00 H new ATOM 769 N CYS A 53 -2.485 -7.864 -2.978 1.00 0.00 N ATOM 770 CA CYS A 53 -1.210 -7.178 -3.155 1.00 0.00 C ATOM 771 C CYS A 53 -1.365 -5.971 -4.075 1.00 0.00 C ATOM 772 O CYS A 53 -0.720 -4.942 -3.879 1.00 0.00 O ATOM 773 CB CYS A 53 -0.166 -8.139 -3.725 1.00 0.00 C ATOM 774 SG CYS A 53 -0.715 -9.038 -5.194 1.00 0.00 S ATOM 0 H CYS A 53 -2.419 -8.882 -2.973 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.875 -6.827 -2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.734 -7.576 -3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.110 -8.858 -2.954 1.00 0.00 H new ATOM 0 HG CYS A 53 0.237 -9.823 -5.603 1.00 0.00 H new ATOM 780 N GLU A 54 -2.224 -6.107 -5.081 1.00 0.00 N ATOM 781 CA GLU A 54 -2.461 -5.029 -6.033 1.00 0.00 C ATOM 782 C GLU A 54 -2.942 -3.769 -5.319 1.00 0.00 C ATOM 783 O GLU A 54 -2.471 -2.666 -5.599 1.00 0.00 O ATOM 784 CB GLU A 54 -3.491 -5.459 -7.080 1.00 0.00 C ATOM 785 CG GLU A 54 -2.957 -6.475 -8.077 1.00 0.00 C ATOM 786 CD GLU A 54 -4.057 -7.121 -8.897 1.00 0.00 C ATOM 787 OE1 GLU A 54 -4.639 -6.427 -9.757 1.00 0.00 O ATOM 788 OE2 GLU A 54 -4.335 -8.318 -8.679 1.00 0.00 O ATOM 0 H GLU A 54 -2.767 -6.953 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.518 -4.806 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.358 -5.882 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.836 -4.578 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.250 -5.985 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.406 -7.248 -7.542 1.00 0.00 H new ATOM 795 N ILE A 55 -3.884 -3.941 -4.397 1.00 0.00 N ATOM 796 CA ILE A 55 -4.428 -2.819 -3.643 1.00 0.00 C ATOM 797 C ILE A 55 -3.314 -1.958 -3.057 1.00 0.00 C ATOM 798 O ILE A 55 -3.418 -0.732 -3.017 1.00 0.00 O ATOM 799 CB ILE A 55 -5.345 -3.299 -2.503 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.558 -4.039 -3.071 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.788 -2.122 -1.648 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.322 -4.833 -2.034 1.00 0.00 C ATOM 0 H ILE A 55 -4.286 -4.847 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.014 -2.223 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.785 -3.990 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.231 -3.316 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.225 -4.713 -3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.436 -2.478 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.913 -1.635 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.334 -1.409 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.168 -5.331 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.664 -5.580 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.685 -4.161 -1.256 1.00 0.00 H new ATOM 814 N VAL A 56 -2.247 -2.609 -2.604 1.00 0.00 N ATOM 815 CA VAL A 56 -1.112 -1.904 -2.022 1.00 0.00 C ATOM 816 C VAL A 56 -0.205 -1.333 -3.107 1.00 0.00 C ATOM 817 O VAL A 56 -0.023 -0.120 -3.204 1.00 0.00 O ATOM 818 CB VAL A 56 -0.284 -2.828 -1.110 1.00 0.00 C ATOM 819 CG1 VAL A 56 0.990 -2.131 -0.658 1.00 0.00 C ATOM 820 CG2 VAL A 56 -1.111 -3.275 0.086 1.00 0.00 C ATOM 0 H VAL A 56 -2.145 -3.624 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.519 -1.088 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.002 -3.714 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.562 -2.800 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.589 -1.866 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.734 -1.227 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.511 -3.927 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.425 -2.402 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.991 -3.817 -0.262 1.00 0.00 H new ATOM 830 N ARG A 57 0.363 -2.217 -3.921 1.00 0.00 N ATOM 831 CA ARG A 57 1.252 -1.802 -4.999 1.00 0.00 C ATOM 832 C ARG A 57 0.685 -0.593 -5.737 1.00 0.00 C ATOM 833 O ARG A 57 1.410 0.350 -6.057 1.00 0.00 O ATOM 834 CB ARG A 57 1.471 -2.955 -5.981 1.00 0.00 C ATOM 835 CG ARG A 57 2.654 -3.841 -5.627 1.00 0.00 C ATOM 836 CD ARG A 57 2.517 -5.225 -6.241 1.00 0.00 C ATOM 837 NE ARG A 57 2.540 -5.181 -7.701 1.00 0.00 N ATOM 838 CZ ARG A 57 3.656 -5.078 -8.415 1.00 0.00 C ATOM 839 NH1 ARG A 57 4.832 -5.009 -7.807 1.00 0.00 N ATOM 840 NH2 ARG A 57 3.596 -5.044 -9.740 1.00 0.00 N ATOM 0 H ARG A 57 0.223 -3.225 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 57 2.209 -1.522 -4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.569 -3.566 -6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.620 -2.546 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.576 -3.376 -5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.733 -3.929 -4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.327 -5.861 -5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.584 -5.679 -5.907 1.00 0.00 H new ATOM 0 HE ARG A 57 1.651 -5.232 -8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.882 -5.035 -6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.687 -4.930 -8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.693 -5.097 -10.211 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.453 -4.965 -10.287 1.00 0.00 H new ATOM 854 N THR A 58 -0.617 -0.626 -6.004 1.00 0.00 N ATOM 855 CA THR A 58 -1.281 0.466 -6.704 1.00 0.00 C ATOM 856 C THR A 58 -1.373 1.708 -5.826 1.00 0.00 C ATOM 857 O THR A 58 -1.220 2.831 -6.305 1.00 0.00 O ATOM 858 CB THR A 58 -2.698 0.064 -7.156 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.654 -1.186 -7.853 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.303 1.132 -8.055 1.00 0.00 C ATOM 0 H THR A 58 -1.232 -1.397 -5.746 1.00 0.00 H new ATOM 0 HA THR A 58 -0.677 0.691 -7.583 1.00 0.00 H new ATOM 0 HB THR A 58 -3.323 -0.038 -6.269 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.598 -1.920 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.303 0.826 -8.361 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.363 2.075 -7.511 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.677 1.262 -8.938 1.00 0.00 H new ATOM 868 N TRP A 59 -1.624 1.499 -4.538 1.00 0.00 N ATOM 869 CA TRP A 59 -1.736 2.603 -3.592 1.00 0.00 C ATOM 870 C TRP A 59 -0.457 3.433 -3.571 1.00 0.00 C ATOM 871 O TRP A 59 -0.505 4.663 -3.554 1.00 0.00 O ATOM 872 CB TRP A 59 -2.036 2.072 -2.190 1.00 0.00 C ATOM 873 CG TRP A 59 -1.898 3.111 -1.119 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.852 3.998 -0.709 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.737 3.371 -0.322 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.354 4.794 0.294 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.059 4.429 0.550 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.542 2.812 -0.259 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.147 4.938 1.471 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.446 3.319 0.655 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.098 4.372 1.511 1.00 0.00 C ATOM 0 H TRP A 59 -1.754 0.575 -4.125 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.558 3.243 -3.914 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.050 1.672 -2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.362 1.243 -1.971 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.851 4.064 -1.114 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.866 5.536 0.771 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.819 1.998 -0.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.413 5.751 2.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.438 2.896 0.710 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.827 4.744 2.216 1.00 0.00 H new ATOM 892 N ILE A 60 0.685 2.753 -3.573 1.00 0.00 N ATOM 893 CA ILE A 60 1.976 3.430 -3.556 1.00 0.00 C ATOM 894 C ILE A 60 2.098 4.412 -4.716 1.00 0.00 C ATOM 895 O ILE A 60 2.237 5.617 -4.510 1.00 0.00 O ATOM 896 CB ILE A 60 3.140 2.423 -3.626 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.057 1.432 -2.463 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.474 3.154 -3.611 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.007 0.264 -2.595 1.00 0.00 C ATOM 0 H ILE A 60 0.742 1.735 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 60 2.034 3.976 -2.614 1.00 0.00 H new ATOM 0 HB ILE A 60 3.063 1.866 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.269 1.958 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.037 1.054 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.287 2.429 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.532 3.824 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.561 3.734 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.893 -0.397 -1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.782 -0.287 -3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.032 0.632 -2.636 1.00 0.00 H new ATOM 911 N GLY A 61 2.043 3.888 -5.936 1.00 0.00 N ATOM 912 CA GLY A 61 2.147 4.733 -7.112 1.00 0.00 C ATOM 913 C GLY A 61 1.179 5.899 -7.075 1.00 0.00 C ATOM 914 O GLY A 61 1.486 6.984 -7.567 1.00 0.00 O ATOM 0 H GLY A 61 1.928 2.894 -6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.165 5.113 -7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.957 4.135 -8.003 1.00 0.00 H new ATOM 918 N ASN A 62 0.006 5.675 -6.491 1.00 0.00 N ATOM 919 CA ASN A 62 -1.010 6.716 -6.394 1.00 0.00 C ATOM 920 C ASN A 62 -0.555 7.836 -5.464 1.00 0.00 C ATOM 921 O ASN A 62 -0.329 8.965 -5.900 1.00 0.00 O ATOM 922 CB ASN A 62 -2.329 6.125 -5.890 1.00 0.00 C ATOM 923 CG ASN A 62 -2.929 5.133 -6.868 1.00 0.00 C ATOM 924 OD1 ASN A 62 -3.302 4.022 -6.492 1.00 0.00 O ATOM 925 ND2 ASN A 62 -3.023 5.532 -8.131 1.00 0.00 N ATOM 0 H ASN A 62 -0.264 4.782 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.162 7.133 -7.389 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.161 5.631 -4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.041 6.931 -5.712 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.417 4.908 -8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.701 6.462 -8.397 1.00 0.00 H new ATOM 932 N ARG A 63 -0.421 7.516 -4.181 1.00 0.00 N ATOM 933 CA ARG A 63 0.007 8.495 -3.190 1.00 0.00 C ATOM 934 C ARG A 63 1.093 9.404 -3.757 1.00 0.00 C ATOM 935 O ARG A 63 1.031 10.626 -3.615 1.00 0.00 O ATOM 936 CB ARG A 63 0.523 7.789 -1.934 1.00 0.00 C ATOM 937 CG ARG A 63 0.750 8.726 -0.758 1.00 0.00 C ATOM 938 CD ARG A 63 1.371 7.997 0.423 1.00 0.00 C ATOM 939 NE ARG A 63 1.023 8.622 1.696 1.00 0.00 N ATOM 940 CZ ARG A 63 -0.211 8.649 2.188 1.00 0.00 C ATOM 941 NH1 ARG A 63 -1.208 8.090 1.518 1.00 0.00 N ATOM 942 NH2 ARG A 63 -0.448 9.237 3.354 1.00 0.00 N ATOM 0 H ARG A 63 -0.603 6.586 -3.804 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.855 9.108 -2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.191 7.019 -1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.459 7.283 -2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.401 9.545 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.199 9.169 -0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.037 6.960 0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.455 7.982 0.311 1.00 0.00 H new ATOM 0 HE ARG A 63 1.768 9.062 2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.029 7.637 0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.154 8.112 1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.317 9.668 3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.395 9.258 3.732 1.00 0.00 H new ATOM 956 N ARG A 64 2.087 8.800 -4.400 1.00 0.00 N ATOM 957 CA ARG A 64 3.188 9.555 -4.987 1.00 0.00 C ATOM 958 C ARG A 64 2.664 10.719 -5.823 1.00 0.00 C ATOM 959 O ARG A 64 3.003 11.876 -5.574 1.00 0.00 O ATOM 960 CB ARG A 64 4.056 8.641 -5.854 1.00 0.00 C ATOM 961 CG ARG A 64 5.194 7.981 -5.093 1.00 0.00 C ATOM 962 CD ARG A 64 5.998 7.051 -5.988 1.00 0.00 C ATOM 963 NE ARG A 64 7.395 6.964 -5.573 1.00 0.00 N ATOM 964 CZ ARG A 64 8.304 7.891 -5.854 1.00 0.00 C ATOM 965 NH1 ARG A 64 7.964 8.970 -6.545 1.00 0.00 N ATOM 966 NH2 ARG A 64 9.556 7.740 -5.441 1.00 0.00 N ATOM 0 H ARG A 64 2.153 7.790 -4.528 1.00 0.00 H new ATOM 0 HA ARG A 64 3.794 9.957 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.427 7.867 -6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.470 9.222 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.850 8.748 -4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.792 7.419 -4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.552 6.056 -5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.947 7.405 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 64 7.689 6.147 -5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.002 9.090 -6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.664 9.680 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.821 6.912 -4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.254 8.452 -5.657 1.00 0.00 H new