USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=13 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 Set 1.1: A 29 ASN : amide:sc= -0.0626 X(o=-0.12,f=-0.52) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 155:sc= -0.0608 (180deg=-0.0106) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -150:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= -0.0197 (180deg=-0.196) 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 31 MET CE :methyl 145:sc= -1.22 (180deg=-4.17!) USER MOD Single : A 32 THR OG1 : rot 141:sc= 0.923 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 -157:sc= -0.687 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) USER MOD Single : A 53 CYS SG : rot 180:sc= 0.0447 USER MOD Single : A 58 THR OG1 : rot 78:sc= 0.452 USER MOD Single : A 62 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -9.175 3.116 2.240 1.00 0.00 N ATOM 180 CA PHE A 15 -8.573 2.521 3.428 1.00 0.00 C ATOM 181 C PHE A 15 -8.951 3.306 4.681 1.00 0.00 C ATOM 182 O PHE A 15 -9.254 4.497 4.612 1.00 0.00 O ATOM 183 CB PHE A 15 -7.051 2.471 3.283 1.00 0.00 C ATOM 184 CG PHE A 15 -6.562 1.297 2.484 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.902 0.004 2.849 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.765 1.486 1.367 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.453 -1.078 2.115 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.314 0.408 0.629 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.659 -0.876 1.003 1.00 0.00 C ATOM 0 HA PHE A 15 -8.955 1.505 3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.709 3.391 2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.601 2.438 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.524 -0.160 3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.493 2.488 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.723 -2.081 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.692 0.569 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.309 -1.720 0.427 1.00 0.00 H new ATOM 199 N SER A 16 -8.931 2.629 5.824 1.00 0.00 N ATOM 200 CA SER A 16 -9.275 3.260 7.093 1.00 0.00 C ATOM 201 C SER A 16 -8.023 3.747 7.815 1.00 0.00 C ATOM 202 O SER A 16 -6.938 3.191 7.643 1.00 0.00 O ATOM 203 CB SER A 16 -10.043 2.281 7.982 1.00 0.00 C ATOM 204 OG SER A 16 -10.760 2.966 8.995 1.00 0.00 O ATOM 0 H SER A 16 -8.680 1.643 5.898 1.00 0.00 H new ATOM 0 HA SER A 16 -9.909 4.121 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.734 1.698 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.347 1.576 8.438 1.00 0.00 H new ATOM 0 HG SER A 16 -11.244 2.318 9.549 1.00 0.00 H new ATOM 210 N ASP A 17 -8.181 4.788 8.624 1.00 0.00 N ATOM 211 CA ASP A 17 -7.064 5.350 9.375 1.00 0.00 C ATOM 212 C ASP A 17 -6.239 4.247 10.030 1.00 0.00 C ATOM 213 O ASP A 17 -5.009 4.289 10.020 1.00 0.00 O ATOM 214 CB ASP A 17 -7.575 6.322 10.440 1.00 0.00 C ATOM 215 CG ASP A 17 -8.252 5.611 11.595 1.00 0.00 C ATOM 216 OD1 ASP A 17 -7.549 5.241 12.559 1.00 0.00 O ATOM 217 OD2 ASP A 17 -9.486 5.426 11.536 1.00 0.00 O ATOM 0 H ASP A 17 -9.072 5.260 8.777 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.425 5.891 8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.741 6.912 10.819 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.278 7.019 9.984 1.00 0.00 H new ATOM 222 N ARG A 18 -6.925 3.260 10.598 1.00 0.00 N ATOM 223 CA ARG A 18 -6.256 2.147 11.260 1.00 0.00 C ATOM 224 C ARG A 18 -5.476 1.306 10.253 1.00 0.00 C ATOM 225 O ARG A 18 -4.398 0.795 10.558 1.00 0.00 O ATOM 226 CB ARG A 18 -7.276 1.272 11.990 1.00 0.00 C ATOM 227 CG ARG A 18 -8.174 0.475 11.057 1.00 0.00 C ATOM 228 CD ARG A 18 -8.849 -0.678 11.784 1.00 0.00 C ATOM 229 NE ARG A 18 -10.139 -0.289 12.347 1.00 0.00 N ATOM 230 CZ ARG A 18 -11.084 -1.158 12.689 1.00 0.00 C ATOM 231 NH1 ARG A 18 -10.883 -2.459 12.526 1.00 0.00 N ATOM 232 NH2 ARG A 18 -12.232 -0.727 13.195 1.00 0.00 N ATOM 0 H ARG A 18 -7.944 3.209 10.613 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.554 2.557 11.986 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.746 0.583 12.647 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.896 1.905 12.625 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.932 1.132 10.631 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.585 0.088 10.226 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.991 -1.509 11.093 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.198 -1.034 12.582 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.325 0.704 12.485 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.001 -2.794 12.137 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.610 -3.124 12.789 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.390 0.273 13.322 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.957 -1.395 13.457 1.00 0.00 H new ATOM 246 N ASP A 19 -6.030 1.165 9.054 1.00 0.00 N ATOM 247 CA ASP A 19 -5.387 0.386 8.002 1.00 0.00 C ATOM 248 C ASP A 19 -4.170 1.121 7.448 1.00 0.00 C ATOM 249 O ASP A 19 -3.057 0.595 7.455 1.00 0.00 O ATOM 250 CB ASP A 19 -6.379 0.095 6.874 1.00 0.00 C ATOM 251 CG ASP A 19 -7.477 -0.859 7.302 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.177 -1.810 8.054 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.636 -0.654 6.885 1.00 0.00 O ATOM 0 H ASP A 19 -6.923 1.580 8.786 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.054 -0.557 8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.825 1.030 6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.844 -0.329 6.024 1.00 0.00 H new ATOM 258 N LEU A 20 -4.390 2.340 6.968 1.00 0.00 N ATOM 259 CA LEU A 20 -3.312 3.148 6.409 1.00 0.00 C ATOM 260 C LEU A 20 -2.071 3.088 7.293 1.00 0.00 C ATOM 261 O LEU A 20 -0.959 2.886 6.807 1.00 0.00 O ATOM 262 CB LEU A 20 -3.767 4.600 6.247 1.00 0.00 C ATOM 263 CG LEU A 20 -4.651 4.895 5.035 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.278 6.275 5.155 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.846 4.784 3.748 1.00 0.00 C ATOM 0 H LEU A 20 -5.305 2.790 6.955 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.058 2.742 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.309 4.892 7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.881 5.233 6.188 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.451 4.156 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.904 6.467 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.888 6.320 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.492 7.028 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.491 4.997 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.025 5.500 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.445 3.775 3.656 1.00 0.00 H new ATOM 277 N ALA A 21 -2.270 3.263 8.596 1.00 0.00 N ATOM 278 CA ALA A 21 -1.168 3.224 9.549 1.00 0.00 C ATOM 279 C ALA A 21 -0.153 2.151 9.171 1.00 0.00 C ATOM 280 O ALA A 21 1.046 2.418 9.084 1.00 0.00 O ATOM 281 CB ALA A 21 -1.695 2.983 10.956 1.00 0.00 C ATOM 0 H ALA A 21 -3.184 3.433 9.015 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.663 4.190 9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.861 2.956 11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.376 3.788 11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.226 2.032 10.988 1.00 0.00 H new ATOM 287 N THR A 22 -0.640 0.934 8.948 1.00 0.00 N ATOM 288 CA THR A 22 0.225 -0.180 8.582 1.00 0.00 C ATOM 289 C THR A 22 1.039 0.143 7.334 1.00 0.00 C ATOM 290 O THR A 22 2.254 -0.060 7.303 1.00 0.00 O ATOM 291 CB THR A 22 -0.589 -1.464 8.331 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.478 -1.702 9.428 1.00 0.00 O ATOM 293 CG2 THR A 22 0.332 -2.661 8.149 1.00 0.00 C ATOM 0 H THR A 22 -1.629 0.695 9.015 1.00 0.00 H new ATOM 0 HA THR A 22 0.901 -0.344 9.421 1.00 0.00 H new ATOM 0 HB THR A 22 -1.168 -1.329 7.417 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.625 -2.666 9.527 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.265 -3.556 7.973 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.988 -2.489 7.296 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.934 -2.797 9.048 1.00 0.00 H new ATOM 301 N LEU A 23 0.365 0.648 6.307 1.00 0.00 N ATOM 302 CA LEU A 23 1.027 1.001 5.056 1.00 0.00 C ATOM 303 C LEU A 23 2.086 2.074 5.285 1.00 0.00 C ATOM 304 O LEU A 23 3.215 1.960 4.807 1.00 0.00 O ATOM 305 CB LEU A 23 0.000 1.491 4.034 1.00 0.00 C ATOM 306 CG LEU A 23 -0.687 0.409 3.200 1.00 0.00 C ATOM 307 CD1 LEU A 23 -1.963 0.948 2.573 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.256 -0.117 2.128 1.00 0.00 C ATOM 0 H LEU A 23 -0.640 0.822 6.316 1.00 0.00 H new ATOM 0 HA LEU A 23 1.519 0.109 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.768 2.056 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.496 2.185 3.355 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.952 -0.417 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.438 0.164 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.645 1.275 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.722 1.792 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.250 -0.886 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.553 0.701 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.142 -0.543 2.600 1.00 0.00 H new ATOM 320 N LYS A 24 1.716 3.117 6.020 1.00 0.00 N ATOM 321 CA LYS A 24 2.634 4.210 6.316 1.00 0.00 C ATOM 322 C LYS A 24 3.899 3.690 6.992 1.00 0.00 C ATOM 323 O LYS A 24 5.013 3.988 6.561 1.00 0.00 O ATOM 324 CB LYS A 24 1.953 5.247 7.212 1.00 0.00 C ATOM 325 CG LYS A 24 1.163 6.291 6.443 1.00 0.00 C ATOM 326 CD LYS A 24 0.486 7.279 7.377 1.00 0.00 C ATOM 327 CE LYS A 24 1.481 8.277 7.951 1.00 0.00 C ATOM 328 NZ LYS A 24 1.968 9.231 6.917 1.00 0.00 N ATOM 0 H LYS A 24 0.785 3.228 6.422 1.00 0.00 H new ATOM 0 HA LYS A 24 2.914 4.681 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.284 4.734 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.711 5.748 7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.829 6.827 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.411 5.798 5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.296 7.813 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.001 6.739 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.012 8.831 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.328 7.741 8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.434 10.037 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.647 8.750 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.163 9.573 6.354 1.00 0.00 H new ATOM 342 N LYS A 25 3.719 2.911 8.054 1.00 0.00 N ATOM 343 CA LYS A 25 4.845 2.347 8.788 1.00 0.00 C ATOM 344 C LYS A 25 5.924 1.848 7.832 1.00 0.00 C ATOM 345 O LYS A 25 7.106 2.143 8.007 1.00 0.00 O ATOM 346 CB LYS A 25 4.372 1.200 9.685 1.00 0.00 C ATOM 347 CG LYS A 25 5.407 0.760 10.705 1.00 0.00 C ATOM 348 CD LYS A 25 6.512 -0.061 10.061 1.00 0.00 C ATOM 349 CE LYS A 25 7.254 -0.901 11.089 1.00 0.00 C ATOM 350 NZ LYS A 25 8.118 -0.066 11.968 1.00 0.00 N ATOM 0 H LYS A 25 2.804 2.656 8.425 1.00 0.00 H new ATOM 0 HA LYS A 25 5.272 3.134 9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.467 1.508 10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.104 0.348 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.838 1.637 11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.923 0.172 11.485 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.085 -0.712 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.214 0.604 9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.535 -1.447 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.866 -1.644 10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.607 -0.675 12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.821 0.435 11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.531 0.626 12.476 1.00 0.00 H new ATOM 364 N TYR A 26 5.508 1.092 6.822 1.00 0.00 N ATOM 365 CA TYR A 26 6.439 0.551 5.839 1.00 0.00 C ATOM 366 C TYR A 26 7.020 1.662 4.970 1.00 0.00 C ATOM 367 O TYR A 26 8.195 1.631 4.606 1.00 0.00 O ATOM 368 CB TYR A 26 5.739 -0.486 4.959 1.00 0.00 C ATOM 369 CG TYR A 26 5.676 -1.863 5.581 1.00 0.00 C ATOM 370 CD1 TYR A 26 6.787 -2.698 5.581 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.506 -2.330 6.166 1.00 0.00 C ATOM 372 CE1 TYR A 26 6.734 -3.957 6.147 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.444 -3.587 6.736 1.00 0.00 C ATOM 374 CZ TYR A 26 5.561 -4.397 6.723 1.00 0.00 C ATOM 375 OH TYR A 26 5.503 -5.650 7.288 1.00 0.00 O ATOM 0 H TYR A 26 4.533 0.840 6.663 1.00 0.00 H new ATOM 0 HA TYR A 26 7.256 0.070 6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.726 -0.146 4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.260 -0.551 4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.707 -2.357 5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.629 -1.699 6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.607 -4.593 6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.527 -3.934 7.189 1.00 0.00 H new ATOM 0 HH TYR A 26 4.606 -5.804 7.651 1.00 0.00 H new ATOM 385 N TRP A 27 6.187 2.643 4.641 1.00 0.00 N ATOM 386 CA TRP A 27 6.617 3.766 3.815 1.00 0.00 C ATOM 387 C TRP A 27 7.865 4.423 4.396 1.00 0.00 C ATOM 388 O TRP A 27 8.689 4.968 3.661 1.00 0.00 O ATOM 389 CB TRP A 27 5.493 4.796 3.694 1.00 0.00 C ATOM 390 CG TRP A 27 5.881 6.009 2.903 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.876 6.896 3.200 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.281 6.468 1.687 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.930 7.879 2.241 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.963 7.639 1.302 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.235 6.002 0.885 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.630 8.349 0.151 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.906 6.709 -0.256 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.602 7.871 -0.615 1.00 0.00 C ATOM 0 H TRP A 27 5.211 2.684 4.933 1.00 0.00 H new ATOM 0 HA TRP A 27 6.859 3.384 2.823 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.629 4.326 3.225 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.185 5.106 4.693 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.525 6.834 4.061 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.585 8.661 2.231 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.694 5.106 1.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.164 9.245 -0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.098 6.360 -0.882 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.321 8.400 -1.514 1.00 0.00 H new ATOM 409 N ASP A 28 7.997 4.367 5.716 1.00 0.00 N ATOM 410 CA ASP A 28 9.146 4.956 6.395 1.00 0.00 C ATOM 411 C ASP A 28 10.450 4.363 5.869 1.00 0.00 C ATOM 412 O ASP A 28 11.513 4.970 5.994 1.00 0.00 O ATOM 413 CB ASP A 28 9.042 4.734 7.905 1.00 0.00 C ATOM 414 CG ASP A 28 10.153 5.426 8.669 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.689 6.430 8.156 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.487 4.964 9.781 1.00 0.00 O ATOM 0 H ASP A 28 7.323 3.920 6.338 1.00 0.00 H new ATOM 0 HA ASP A 28 9.147 6.027 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.078 5.102 8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.072 3.665 8.115 1.00 0.00 H new ATOM 421 N ASN A 29 10.359 3.174 5.282 1.00 0.00 N ATOM 422 CA ASN A 29 11.532 2.499 4.739 1.00 0.00 C ATOM 423 C ASN A 29 11.606 2.670 3.225 1.00 0.00 C ATOM 424 O ASN A 29 12.168 1.832 2.522 1.00 0.00 O ATOM 425 CB ASN A 29 11.500 1.011 5.095 1.00 0.00 C ATOM 426 CG ASN A 29 12.188 0.716 6.413 1.00 0.00 C ATOM 427 OD1 ASN A 29 12.266 1.576 7.291 1.00 0.00 O ATOM 428 ND2 ASN A 29 12.692 -0.504 6.558 1.00 0.00 N ATOM 0 H ASN A 29 9.486 2.659 5.170 1.00 0.00 H new ATOM 0 HA ASN A 29 12.419 2.953 5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.464 0.675 5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.982 0.440 4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.167 -0.760 7.424 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.604 -1.185 5.804 1.00 0.00 H new ATOM 435 N GLY A 30 11.035 3.764 2.730 1.00 0.00 N ATOM 436 CA GLY A 30 11.047 4.026 1.303 1.00 0.00 C ATOM 437 C GLY A 30 10.174 3.059 0.528 1.00 0.00 C ATOM 438 O GLY A 30 10.490 2.700 -0.606 1.00 0.00 O ATOM 0 H GLY A 30 10.564 4.473 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.705 5.045 1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.071 3.962 0.934 1.00 0.00 H new ATOM 442 N MET A 31 9.075 2.635 1.142 1.00 0.00 N ATOM 443 CA MET A 31 8.154 1.703 0.502 1.00 0.00 C ATOM 444 C MET A 31 7.386 2.385 -0.626 1.00 0.00 C ATOM 445 O MET A 31 6.548 1.767 -1.284 1.00 0.00 O ATOM 446 CB MET A 31 7.174 1.134 1.530 1.00 0.00 C ATOM 447 CG MET A 31 6.586 -0.210 1.130 1.00 0.00 C ATOM 448 SD MET A 31 4.928 -0.466 1.789 1.00 0.00 S ATOM 449 CE MET A 31 4.076 0.965 1.130 1.00 0.00 C ATOM 0 H MET A 31 8.800 2.922 2.082 1.00 0.00 H new ATOM 0 HA MET A 31 8.739 0.887 0.078 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.685 1.027 2.487 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.363 1.846 1.680 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.555 -0.280 0.043 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.240 -1.008 1.482 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.048 0.697 0.888 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.077 1.763 1.872 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.584 1.307 0.228 1.00 0.00 H new ATOM 459 N THR A 32 7.677 3.664 -0.845 1.00 0.00 N ATOM 460 CA THR A 32 7.013 4.430 -1.892 1.00 0.00 C ATOM 461 C THR A 32 7.653 4.172 -3.252 1.00 0.00 C ATOM 462 O THR A 32 7.816 5.090 -4.055 1.00 0.00 O ATOM 463 CB THR A 32 7.056 5.941 -1.596 1.00 0.00 C ATOM 464 OG1 THR A 32 6.402 6.665 -2.644 1.00 0.00 O ATOM 465 CG2 THR A 32 8.491 6.425 -1.457 1.00 0.00 C ATOM 0 H THR A 32 8.368 4.191 -0.311 1.00 0.00 H new ATOM 0 HA THR A 32 5.974 4.101 -1.914 1.00 0.00 H new ATOM 0 HB THR A 32 6.537 6.119 -0.654 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.882 7.401 -2.258 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.496 7.495 -1.248 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.977 5.894 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.031 6.234 -2.384 1.00 0.00 H new ATOM 473 N SER A 33 8.012 2.917 -3.503 1.00 0.00 N ATOM 474 CA SER A 33 8.637 2.540 -4.765 1.00 0.00 C ATOM 475 C SER A 33 8.086 1.209 -5.267 1.00 0.00 C ATOM 476 O SER A 33 8.017 0.231 -4.521 1.00 0.00 O ATOM 477 CB SER A 33 10.155 2.446 -4.599 1.00 0.00 C ATOM 478 OG SER A 33 10.675 3.615 -3.990 1.00 0.00 O ATOM 0 H SER A 33 7.881 2.145 -2.850 1.00 0.00 H new ATOM 0 HA SER A 33 8.406 3.310 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.404 1.575 -3.993 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.622 2.301 -5.573 1.00 0.00 H new ATOM 0 HG SER A 33 11.646 3.529 -3.894 1.00 0.00 H new ATOM 484 N LEU A 34 7.695 1.179 -6.536 1.00 0.00 N ATOM 485 CA LEU A 34 7.149 -0.032 -7.140 1.00 0.00 C ATOM 486 C LEU A 34 8.248 -1.061 -7.384 1.00 0.00 C ATOM 487 O LEU A 34 8.017 -2.266 -7.286 1.00 0.00 O ATOM 488 CB LEU A 34 6.447 0.304 -8.457 1.00 0.00 C ATOM 489 CG LEU A 34 4.979 0.717 -8.349 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.528 1.424 -9.617 1.00 0.00 C ATOM 491 CD2 LEU A 34 4.102 -0.496 -8.073 1.00 0.00 C ATOM 0 H LEU A 34 7.746 1.979 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 34 6.424 -0.460 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.996 1.111 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.512 -0.565 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 34 4.878 1.411 -7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.481 1.710 -9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.135 2.316 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.644 0.753 -10.468 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.061 -0.183 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.208 -1.214 -8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.408 -0.961 -7.136 1.00 0.00 H new ATOM 503 N GLY A 35 9.445 -0.578 -7.701 1.00 0.00 N ATOM 504 CA GLY A 35 10.563 -1.469 -7.952 1.00 0.00 C ATOM 505 C GLY A 35 10.521 -2.710 -7.083 1.00 0.00 C ATOM 506 O GLY A 35 10.273 -2.626 -5.880 1.00 0.00 O ATOM 0 H GLY A 35 9.661 0.415 -7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.560 -1.764 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.496 -0.935 -7.773 1.00 0.00 H new ATOM 510 N SER A 36 10.762 -3.866 -7.692 1.00 0.00 N ATOM 511 CA SER A 36 10.746 -5.131 -6.967 1.00 0.00 C ATOM 512 C SER A 36 11.411 -4.983 -5.602 1.00 0.00 C ATOM 513 O SER A 36 10.900 -5.470 -4.593 1.00 0.00 O ATOM 514 CB SER A 36 11.455 -6.218 -7.777 1.00 0.00 C ATOM 515 OG SER A 36 11.202 -7.504 -7.237 1.00 0.00 O ATOM 0 H SER A 36 10.971 -3.953 -8.687 1.00 0.00 H new ATOM 0 HA SER A 36 9.706 -5.421 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.117 -6.182 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.528 -6.028 -7.785 1.00 0.00 H new ATOM 0 HG SER A 36 11.665 -8.181 -7.773 1.00 0.00 H new ATOM 521 N VAL A 37 12.555 -4.307 -5.578 1.00 0.00 N ATOM 522 CA VAL A 37 13.291 -4.093 -4.338 1.00 0.00 C ATOM 523 C VAL A 37 12.341 -3.871 -3.167 1.00 0.00 C ATOM 524 O VAL A 37 12.555 -4.395 -2.073 1.00 0.00 O ATOM 525 CB VAL A 37 14.241 -2.886 -4.451 1.00 0.00 C ATOM 526 CG1 VAL A 37 13.462 -1.622 -4.783 1.00 0.00 C ATOM 527 CG2 VAL A 37 15.034 -2.711 -3.165 1.00 0.00 C ATOM 0 H VAL A 37 12.992 -3.898 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 37 13.879 -4.993 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 37 14.944 -3.074 -5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.150 -0.780 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.943 -1.753 -5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.734 -1.426 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.700 -1.854 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.348 -2.545 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.623 -3.609 -2.976 1.00 0.00 H new ATOM 537 N CYS A 38 11.292 -3.091 -3.403 1.00 0.00 N ATOM 538 CA CYS A 38 10.308 -2.799 -2.366 1.00 0.00 C ATOM 539 C CYS A 38 9.199 -3.846 -2.359 1.00 0.00 C ATOM 540 O CYS A 38 8.634 -4.158 -1.310 1.00 0.00 O ATOM 541 CB CYS A 38 9.711 -1.407 -2.579 1.00 0.00 C ATOM 542 SG CYS A 38 10.698 -0.065 -1.876 1.00 0.00 S ATOM 0 H CYS A 38 11.101 -2.650 -4.302 1.00 0.00 H new ATOM 0 HA CYS A 38 10.814 -2.826 -1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.592 -1.234 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.714 -1.380 -2.139 1.00 0.00 H new ATOM 0 HG CYS A 38 9.939 0.970 -1.669 1.00 0.00 H new ATOM 548 N ARG A 39 8.892 -4.383 -3.534 1.00 0.00 N ATOM 549 CA ARG A 39 7.848 -5.393 -3.664 1.00 0.00 C ATOM 550 C ARG A 39 7.898 -6.378 -2.499 1.00 0.00 C ATOM 551 O ARG A 39 6.861 -6.810 -1.996 1.00 0.00 O ATOM 552 CB ARG A 39 7.997 -6.144 -4.988 1.00 0.00 C ATOM 553 CG ARG A 39 7.027 -7.304 -5.143 1.00 0.00 C ATOM 554 CD ARG A 39 7.409 -8.198 -6.312 1.00 0.00 C ATOM 555 NE ARG A 39 8.385 -9.215 -5.927 1.00 0.00 N ATOM 556 CZ ARG A 39 8.925 -10.075 -6.783 1.00 0.00 C ATOM 557 NH1 ARG A 39 8.587 -10.042 -8.064 1.00 0.00 N ATOM 558 NH2 ARG A 39 9.806 -10.971 -6.357 1.00 0.00 N ATOM 0 H ARG A 39 9.351 -4.136 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 39 6.883 -4.887 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.849 -5.445 -5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.017 -6.521 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.011 -7.891 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.018 -6.919 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.515 -8.683 -6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.820 -7.588 -7.116 1.00 0.00 H new ATOM 0 HE ARG A 39 8.667 -9.267 -4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.910 -9.355 -8.395 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.004 -10.704 -8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.069 -10.999 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.221 -11.631 -7.015 1.00 0.00 H new ATOM 572 N GLU A 40 9.109 -6.727 -2.077 1.00 0.00 N ATOM 573 CA GLU A 40 9.292 -7.662 -0.973 1.00 0.00 C ATOM 574 C GLU A 40 8.502 -7.216 0.254 1.00 0.00 C ATOM 575 O GLU A 40 7.771 -8.003 0.856 1.00 0.00 O ATOM 576 CB GLU A 40 10.776 -7.785 -0.621 1.00 0.00 C ATOM 577 CG GLU A 40 11.593 -8.515 -1.674 1.00 0.00 C ATOM 578 CD GLU A 40 12.796 -9.228 -1.088 1.00 0.00 C ATOM 579 OE1 GLU A 40 12.706 -9.694 0.066 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.828 -9.320 -1.786 1.00 0.00 O ATOM 0 H GLU A 40 9.977 -6.377 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 40 8.919 -8.636 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.191 -6.787 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.873 -8.309 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.958 -9.240 -2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.929 -7.802 -2.427 1.00 0.00 H new ATOM 587 N LYS A 41 8.654 -5.948 0.620 1.00 0.00 N ATOM 588 CA LYS A 41 7.956 -5.395 1.774 1.00 0.00 C ATOM 589 C LYS A 41 6.447 -5.404 1.553 1.00 0.00 C ATOM 590 O LYS A 41 5.685 -5.816 2.428 1.00 0.00 O ATOM 591 CB LYS A 41 8.434 -3.967 2.049 1.00 0.00 C ATOM 592 CG LYS A 41 9.877 -3.887 2.516 1.00 0.00 C ATOM 593 CD LYS A 41 10.021 -4.338 3.960 1.00 0.00 C ATOM 594 CE LYS A 41 11.483 -4.452 4.364 1.00 0.00 C ATOM 595 NZ LYS A 41 12.166 -3.129 4.354 1.00 0.00 N ATOM 0 H LYS A 41 9.255 -5.283 0.133 1.00 0.00 H new ATOM 0 HA LYS A 41 8.182 -6.020 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.322 -3.374 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.791 -3.517 2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.503 -4.509 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.237 -2.863 2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.515 -3.630 4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.529 -5.302 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.551 -4.888 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.996 -5.131 3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.977 -3.152 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.500 -2.918 3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.499 -2.392 4.658 1.00 0.00 H new ATOM 609 N ILE A 42 6.023 -4.949 0.378 1.00 0.00 N ATOM 610 CA ILE A 42 4.605 -4.908 0.042 1.00 0.00 C ATOM 611 C ILE A 42 3.946 -6.264 0.272 1.00 0.00 C ATOM 612 O ILE A 42 2.803 -6.341 0.720 1.00 0.00 O ATOM 613 CB ILE A 42 4.386 -4.484 -1.422 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.918 -3.068 -1.651 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.910 -4.566 -1.781 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.169 -2.745 -3.107 1.00 0.00 C ATOM 0 H ILE A 42 6.641 -4.604 -0.356 1.00 0.00 H new ATOM 0 HA ILE A 42 4.146 -4.168 0.698 1.00 0.00 H new ATOM 0 HB ILE A 42 4.936 -5.167 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.204 -2.351 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.847 -2.943 -1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.771 -4.263 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.560 -5.590 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.340 -3.903 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.545 -1.726 -3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.906 -3.439 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.238 -2.837 -3.666 1.00 0.00 H new ATOM 628 N GLU A 43 4.677 -7.330 -0.038 1.00 0.00 N ATOM 629 CA GLU A 43 4.163 -8.684 0.136 1.00 0.00 C ATOM 630 C GLU A 43 3.721 -8.918 1.578 1.00 0.00 C ATOM 631 O GLU A 43 2.850 -9.745 1.845 1.00 0.00 O ATOM 632 CB GLU A 43 5.227 -9.712 -0.256 1.00 0.00 C ATOM 633 CG GLU A 43 5.519 -9.746 -1.747 1.00 0.00 C ATOM 634 CD GLU A 43 4.611 -10.701 -2.497 1.00 0.00 C ATOM 635 OE1 GLU A 43 3.400 -10.728 -2.197 1.00 0.00 O ATOM 636 OE2 GLU A 43 5.113 -11.421 -3.386 1.00 0.00 O ATOM 0 H GLU A 43 5.625 -7.283 -0.410 1.00 0.00 H new ATOM 0 HA GLU A 43 3.297 -8.802 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.149 -9.491 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.900 -10.701 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.405 -8.743 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.557 -10.039 -1.904 1.00 0.00 H new ATOM 643 N ALA A 44 4.330 -8.183 2.503 1.00 0.00 N ATOM 644 CA ALA A 44 3.999 -8.308 3.917 1.00 0.00 C ATOM 645 C ALA A 44 2.764 -7.486 4.267 1.00 0.00 C ATOM 646 O ALA A 44 1.743 -8.030 4.689 1.00 0.00 O ATOM 647 CB ALA A 44 5.181 -7.880 4.775 1.00 0.00 C ATOM 0 H ALA A 44 5.055 -7.495 2.298 1.00 0.00 H new ATOM 0 HA ALA A 44 3.775 -9.355 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.920 -7.978 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.040 -8.513 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.431 -6.841 4.558 1.00 0.00 H new ATOM 653 N VAL A 45 2.863 -6.172 4.091 1.00 0.00 N ATOM 654 CA VAL A 45 1.753 -5.275 4.388 1.00 0.00 C ATOM 655 C VAL A 45 0.456 -5.781 3.767 1.00 0.00 C ATOM 656 O VAL A 45 -0.634 -5.487 4.256 1.00 0.00 O ATOM 657 CB VAL A 45 2.032 -3.849 3.876 1.00 0.00 C ATOM 658 CG1 VAL A 45 1.915 -3.792 2.361 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.085 -2.854 4.530 1.00 0.00 C ATOM 0 H VAL A 45 3.701 -5.705 3.744 1.00 0.00 H new ATOM 0 HA VAL A 45 1.648 -5.250 5.473 1.00 0.00 H new ATOM 0 HB VAL A 45 3.052 -3.578 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.115 -2.777 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.638 -4.475 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.908 -4.083 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.296 -1.852 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.055 -3.121 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.224 -2.876 5.611 1.00 0.00 H new ATOM 669 N ALA A 46 0.582 -6.544 2.686 1.00 0.00 N ATOM 670 CA ALA A 46 -0.580 -7.093 1.999 1.00 0.00 C ATOM 671 C ALA A 46 -1.120 -8.318 2.728 1.00 0.00 C ATOM 672 O ALA A 46 -2.327 -8.447 2.938 1.00 0.00 O ATOM 673 CB ALA A 46 -0.226 -7.446 0.561 1.00 0.00 C ATOM 0 H ALA A 46 1.477 -6.796 2.267 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.360 -6.332 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.104 -7.855 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.106 -6.549 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.574 -8.187 0.554 1.00 0.00 H new ATOM 679 N THR A 47 -0.220 -9.218 3.112 1.00 0.00 N ATOM 680 CA THR A 47 -0.606 -10.434 3.816 1.00 0.00 C ATOM 681 C THR A 47 -1.033 -10.129 5.247 1.00 0.00 C ATOM 682 O THR A 47 -1.758 -10.906 5.867 1.00 0.00 O ATOM 683 CB THR A 47 0.544 -11.458 3.842 1.00 0.00 C ATOM 684 OG1 THR A 47 0.037 -12.756 4.169 1.00 0.00 O ATOM 685 CG2 THR A 47 1.606 -11.053 4.854 1.00 0.00 C ATOM 0 H THR A 47 0.782 -9.127 2.947 1.00 0.00 H new ATOM 0 HA THR A 47 -1.449 -10.860 3.272 1.00 0.00 H new ATOM 0 HB THR A 47 0.999 -11.485 2.852 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.774 -13.401 4.182 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.408 -11.791 4.855 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.011 -10.077 4.586 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.161 -11.000 5.847 1.00 0.00 H new ATOM 693 N GLU A 48 -0.578 -8.992 5.766 1.00 0.00 N ATOM 694 CA GLU A 48 -0.914 -8.585 7.125 1.00 0.00 C ATOM 695 C GLU A 48 -2.304 -7.959 7.178 1.00 0.00 C ATOM 696 O GLU A 48 -3.048 -8.151 8.141 1.00 0.00 O ATOM 697 CB GLU A 48 0.124 -7.594 7.656 1.00 0.00 C ATOM 698 CG GLU A 48 -0.341 -6.822 8.879 1.00 0.00 C ATOM 699 CD GLU A 48 -0.939 -7.721 9.943 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.359 -8.796 10.206 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.986 -7.351 10.514 1.00 0.00 O ATOM 0 H GLU A 48 0.024 -8.337 5.266 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.911 -9.475 7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.037 -8.135 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.377 -6.888 6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.502 -6.276 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.081 -6.081 8.577 1.00 0.00 H new ATOM 708 N LEU A 49 -2.649 -7.209 6.137 1.00 0.00 N ATOM 709 CA LEU A 49 -3.950 -6.554 6.063 1.00 0.00 C ATOM 710 C LEU A 49 -4.969 -7.444 5.359 1.00 0.00 C ATOM 711 O LEU A 49 -6.156 -7.122 5.305 1.00 0.00 O ATOM 712 CB LEU A 49 -3.829 -5.217 5.329 1.00 0.00 C ATOM 713 CG LEU A 49 -3.033 -4.127 6.046 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.874 -2.906 5.153 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.709 -3.747 7.355 1.00 0.00 C ATOM 0 H LEU A 49 -2.046 -7.039 5.332 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.296 -6.373 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.366 -5.399 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.833 -4.839 5.137 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.041 -4.518 6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.305 -2.141 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.346 -3.188 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.858 -2.513 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.129 -2.970 7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.713 -3.376 7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.770 -4.623 8.001 1.00 0.00 H new ATOM 727 N ASN A 50 -4.498 -8.565 4.823 1.00 0.00 N ATOM 728 CA ASN A 50 -5.369 -9.502 4.124 1.00 0.00 C ATOM 729 C ASN A 50 -5.973 -8.859 2.879 1.00 0.00 C ATOM 730 O ASN A 50 -7.155 -9.037 2.587 1.00 0.00 O ATOM 731 CB ASN A 50 -6.484 -9.986 5.054 1.00 0.00 C ATOM 732 CG ASN A 50 -6.089 -11.224 5.836 1.00 0.00 C ATOM 733 OD1 ASN A 50 -5.224 -11.170 6.709 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.724 -12.348 5.524 1.00 0.00 N ATOM 0 H ASN A 50 -3.518 -8.846 4.859 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.767 -10.356 3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.745 -9.188 5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.376 -10.201 4.466 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.501 -13.213 6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.435 -12.346 4.793 1.00 0.00 H new ATOM 741 N VAL A 51 -5.151 -8.112 2.149 1.00 0.00 N ATOM 742 CA VAL A 51 -5.603 -7.443 0.934 1.00 0.00 C ATOM 743 C VAL A 51 -4.723 -7.811 -0.255 1.00 0.00 C ATOM 744 O VAL A 51 -3.524 -8.045 -0.104 1.00 0.00 O ATOM 745 CB VAL A 51 -5.605 -5.912 1.103 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.617 -5.493 2.159 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.213 -5.415 1.460 1.00 0.00 C ATOM 0 H VAL A 51 -4.169 -7.955 2.377 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.622 -7.781 0.747 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.896 -5.459 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.604 -4.408 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.613 -5.817 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.359 -5.954 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.232 -4.331 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.891 -5.874 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.516 -5.683 0.666 1.00 0.00 H new ATOM 757 N ASP A 52 -5.326 -7.859 -1.438 1.00 0.00 N ATOM 758 CA ASP A 52 -4.596 -8.197 -2.655 1.00 0.00 C ATOM 759 C ASP A 52 -3.307 -7.388 -2.758 1.00 0.00 C ATOM 760 O ASP A 52 -3.326 -6.159 -2.682 1.00 0.00 O ATOM 761 CB ASP A 52 -5.470 -7.946 -3.885 1.00 0.00 C ATOM 762 CG ASP A 52 -6.866 -8.518 -3.730 1.00 0.00 C ATOM 763 OD1 ASP A 52 -6.992 -9.637 -3.189 1.00 0.00 O ATOM 764 OD2 ASP A 52 -7.831 -7.847 -4.149 1.00 0.00 O ATOM 0 H ASP A 52 -6.318 -7.668 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.337 -9.255 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.538 -6.873 -4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.995 -8.387 -4.761 1.00 0.00 H new ATOM 769 N CYS A 53 -2.190 -8.085 -2.929 1.00 0.00 N ATOM 770 CA CYS A 53 -0.890 -7.432 -3.040 1.00 0.00 C ATOM 771 C CYS A 53 -0.942 -6.288 -4.048 1.00 0.00 C ATOM 772 O CYS A 53 -0.147 -5.350 -3.977 1.00 0.00 O ATOM 773 CB CYS A 53 0.179 -8.444 -3.454 1.00 0.00 C ATOM 774 SG CYS A 53 -0.350 -9.588 -4.751 1.00 0.00 S ATOM 0 H CYS A 53 -2.158 -9.102 -2.994 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.632 -7.022 -2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.061 -7.904 -3.798 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.479 -9.019 -2.578 1.00 0.00 H new ATOM 0 HG CYS A 53 0.623 -10.403 -5.034 1.00 0.00 H new ATOM 780 N GLU A 54 -1.880 -6.373 -4.985 1.00 0.00 N ATOM 781 CA GLU A 54 -2.033 -5.345 -6.008 1.00 0.00 C ATOM 782 C GLU A 54 -2.577 -4.054 -5.405 1.00 0.00 C ATOM 783 O GLU A 54 -2.110 -2.961 -5.727 1.00 0.00 O ATOM 784 CB GLU A 54 -2.964 -5.835 -7.120 1.00 0.00 C ATOM 785 CG GLU A 54 -2.727 -5.153 -8.456 1.00 0.00 C ATOM 786 CD GLU A 54 -3.919 -5.262 -9.387 1.00 0.00 C ATOM 787 OE1 GLU A 54 -5.043 -5.480 -8.887 1.00 0.00 O ATOM 788 OE2 GLU A 54 -3.729 -5.132 -10.614 1.00 0.00 O ATOM 0 H GLU A 54 -2.545 -7.143 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.050 -5.141 -6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.835 -6.910 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.998 -5.670 -6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.498 -4.101 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.854 -5.596 -8.936 1.00 0.00 H new ATOM 795 N ILE A 55 -3.568 -4.188 -4.530 1.00 0.00 N ATOM 796 CA ILE A 55 -4.176 -3.033 -3.882 1.00 0.00 C ATOM 797 C ILE A 55 -3.117 -2.137 -3.248 1.00 0.00 C ATOM 798 O ILE A 55 -3.237 -0.912 -3.259 1.00 0.00 O ATOM 799 CB ILE A 55 -5.185 -3.461 -2.800 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.383 -4.167 -3.439 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.643 -2.253 -1.996 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.173 -5.014 -2.467 1.00 0.00 C ATOM 0 H ILE A 55 -3.967 -5.085 -4.254 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.702 -2.477 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.694 -4.160 -2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.044 -3.419 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.030 -4.798 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.356 -2.571 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.782 -1.788 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.120 -1.533 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.007 -5.484 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.527 -5.785 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.556 -4.385 -1.664 1.00 0.00 H new ATOM 814 N VAL A 56 -2.078 -2.757 -2.698 1.00 0.00 N ATOM 815 CA VAL A 56 -0.995 -2.017 -2.062 1.00 0.00 C ATOM 816 C VAL A 56 -0.080 -1.380 -3.101 1.00 0.00 C ATOM 817 O VAL A 56 0.118 -0.165 -3.107 1.00 0.00 O ATOM 818 CB VAL A 56 -0.157 -2.927 -1.144 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.084 -2.195 -0.656 1.00 0.00 C ATOM 820 CG2 VAL A 56 -0.993 -3.416 0.028 1.00 0.00 C ATOM 0 H VAL A 56 -1.963 -3.770 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.457 -1.234 -1.461 1.00 0.00 H new ATOM 0 HB VAL A 56 0.165 -3.796 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.664 -2.853 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.692 -1.899 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.787 -1.307 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.385 -4.057 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.347 -2.561 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.848 -3.980 -0.345 1.00 0.00 H new ATOM 830 N ARG A 57 0.475 -2.208 -3.980 1.00 0.00 N ATOM 831 CA ARG A 57 1.370 -1.726 -5.025 1.00 0.00 C ATOM 832 C ARG A 57 0.755 -0.540 -5.763 1.00 0.00 C ATOM 833 O ARG A 57 1.451 0.409 -6.125 1.00 0.00 O ATOM 834 CB ARG A 57 1.685 -2.849 -6.015 1.00 0.00 C ATOM 835 CG ARG A 57 2.908 -3.668 -5.637 1.00 0.00 C ATOM 836 CD ARG A 57 3.181 -4.764 -6.656 1.00 0.00 C ATOM 837 NE ARG A 57 3.565 -4.219 -7.955 1.00 0.00 N ATOM 838 CZ ARG A 57 3.511 -4.912 -9.087 1.00 0.00 C ATOM 839 NH1 ARG A 57 3.092 -6.170 -9.079 1.00 0.00 N ATOM 840 NH2 ARG A 57 3.877 -4.347 -10.231 1.00 0.00 N ATOM 0 H ARG A 57 0.320 -3.216 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 57 2.296 -1.398 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.822 -3.511 -6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.839 -2.418 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.777 -3.014 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.759 -4.113 -4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.975 -5.413 -6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.291 -5.382 -6.771 1.00 0.00 H new ATOM 0 HE ARG A 57 3.892 -3.254 -7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.810 -6.608 -8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.052 -6.700 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.200 -3.380 -10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.835 -4.880 -11.100 1.00 0.00 H new ATOM 854 N THR A 58 -0.555 -0.602 -5.984 1.00 0.00 N ATOM 855 CA THR A 58 -1.263 0.465 -6.681 1.00 0.00 C ATOM 856 C THR A 58 -1.391 1.704 -5.803 1.00 0.00 C ATOM 857 O THR A 58 -1.279 2.832 -6.285 1.00 0.00 O ATOM 858 CB THR A 58 -2.669 0.013 -7.118 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.571 -1.123 -7.985 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.403 1.139 -7.830 1.00 0.00 C ATOM 0 H THR A 58 -1.147 -1.379 -5.690 1.00 0.00 H new ATOM 0 HA THR A 58 -0.676 0.709 -7.566 1.00 0.00 H new ATOM 0 HB THR A 58 -3.233 -0.259 -6.226 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.405 -1.928 -7.452 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.393 0.796 -8.129 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.502 1.991 -7.158 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.840 1.438 -8.714 1.00 0.00 H new ATOM 868 N TRP A 59 -1.624 1.489 -4.513 1.00 0.00 N ATOM 869 CA TRP A 59 -1.766 2.590 -3.568 1.00 0.00 C ATOM 870 C TRP A 59 -0.526 3.478 -3.576 1.00 0.00 C ATOM 871 O TRP A 59 -0.628 4.702 -3.494 1.00 0.00 O ATOM 872 CB TRP A 59 -2.012 2.051 -2.158 1.00 0.00 C ATOM 873 CG TRP A 59 -1.859 3.090 -1.089 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.789 4.013 -0.704 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.707 3.313 -0.270 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.284 4.797 0.305 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.009 4.387 0.591 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.550 2.709 -0.177 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.099 4.868 1.528 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.452 3.188 0.754 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.125 4.258 1.597 1.00 0.00 C ATOM 0 H TRP A 59 -1.719 0.562 -4.098 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.622 3.190 -3.875 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.017 1.633 -2.107 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.317 1.234 -1.963 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.776 4.112 -1.130 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.779 5.561 0.766 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.812 1.883 -0.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.350 5.693 2.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.426 2.729 0.833 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.852 4.608 2.315 1.00 0.00 H new ATOM 892 N ILE A 60 0.642 2.854 -3.677 1.00 0.00 N ATOM 893 CA ILE A 60 1.901 3.589 -3.697 1.00 0.00 C ATOM 894 C ILE A 60 1.967 4.532 -4.894 1.00 0.00 C ATOM 895 O ILE A 60 2.065 5.748 -4.735 1.00 0.00 O ATOM 896 CB ILE A 60 3.109 2.635 -3.742 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.137 1.753 -2.492 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.403 3.425 -3.867 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.134 0.619 -2.575 1.00 0.00 C ATOM 0 H ILE A 60 0.743 1.841 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 60 1.942 4.171 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 60 3.012 1.991 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.374 2.371 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.142 1.340 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.248 2.737 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.382 4.015 -4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.508 4.090 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.099 0.036 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.886 -0.022 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.137 1.025 -2.710 1.00 0.00 H new ATOM 911 N GLY A 61 1.912 3.962 -6.094 1.00 0.00 N ATOM 912 CA GLY A 61 1.966 4.766 -7.301 1.00 0.00 C ATOM 913 C GLY A 61 1.013 5.944 -7.255 1.00 0.00 C ATOM 914 O GLY A 61 1.334 7.029 -7.737 1.00 0.00 O ATOM 0 H GLY A 61 1.831 2.958 -6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.983 5.131 -7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.726 4.141 -8.161 1.00 0.00 H new ATOM 918 N ASN A 62 -0.163 5.730 -6.674 1.00 0.00 N ATOM 919 CA ASN A 62 -1.167 6.782 -6.569 1.00 0.00 C ATOM 920 C ASN A 62 -0.696 7.892 -5.634 1.00 0.00 C ATOM 921 O ASN A 62 -0.577 9.049 -6.037 1.00 0.00 O ATOM 922 CB ASN A 62 -2.492 6.205 -6.067 1.00 0.00 C ATOM 923 CG ASN A 62 -2.962 5.028 -6.900 1.00 0.00 C ATOM 924 OD1 ASN A 62 -2.335 4.669 -7.897 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.072 4.422 -6.495 1.00 0.00 N ATOM 0 H ASN A 62 -0.444 4.837 -6.269 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.317 7.206 -7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.378 5.890 -5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.254 6.985 -6.082 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.437 3.625 -7.016 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.559 4.754 -5.663 1.00 0.00 H new ATOM 932 N ARG A 63 -0.428 7.530 -4.383 1.00 0.00 N ATOM 933 CA ARG A 63 0.029 8.494 -3.390 1.00 0.00 C ATOM 934 C ARG A 63 1.072 9.436 -3.986 1.00 0.00 C ATOM 935 O ARG A 63 0.910 10.656 -3.956 1.00 0.00 O ATOM 936 CB ARG A 63 0.615 7.770 -2.177 1.00 0.00 C ATOM 937 CG ARG A 63 0.454 8.536 -0.874 1.00 0.00 C ATOM 938 CD ARG A 63 -0.947 8.380 -0.305 1.00 0.00 C ATOM 939 NE ARG A 63 -1.280 9.448 0.634 1.00 0.00 N ATOM 940 CZ ARG A 63 -0.797 9.517 1.870 1.00 0.00 C ATOM 941 NH1 ARG A 63 0.035 8.584 2.313 1.00 0.00 N ATOM 942 NH2 ARG A 63 -1.146 10.520 2.665 1.00 0.00 N ATOM 0 H ARG A 63 -0.520 6.576 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.830 9.085 -3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.134 6.797 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.675 7.586 -2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.184 8.179 -0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.663 9.592 -1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.671 8.376 -1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.028 7.417 0.198 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.918 10.181 0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.305 7.811 1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.404 8.639 3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.786 11.239 2.328 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.775 10.572 3.614 1.00 0.00 H new ATOM 956 N ARG A 64 2.141 8.860 -4.526 1.00 0.00 N ATOM 957 CA ARG A 64 3.211 9.647 -5.127 1.00 0.00 C ATOM 958 C ARG A 64 2.642 10.812 -5.933 1.00 0.00 C ATOM 959 O ARG A 64 3.111 11.944 -5.822 1.00 0.00 O ATOM 960 CB ARG A 64 4.077 8.766 -6.028 1.00 0.00 C ATOM 961 CG ARG A 64 4.700 7.583 -5.305 1.00 0.00 C ATOM 962 CD ARG A 64 5.888 7.023 -6.072 1.00 0.00 C ATOM 963 NE ARG A 64 5.490 6.450 -7.355 1.00 0.00 N ATOM 964 CZ ARG A 64 6.331 6.253 -8.365 1.00 0.00 C ATOM 965 NH1 ARG A 64 7.610 6.581 -8.240 1.00 0.00 N ATOM 966 NH2 ARG A 64 5.893 5.726 -9.501 1.00 0.00 N ATOM 0 H ARG A 64 2.289 7.851 -4.560 1.00 0.00 H new ATOM 0 HA ARG A 64 3.827 10.049 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.469 8.397 -6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.870 9.374 -6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.021 7.891 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.951 6.802 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.617 7.815 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.380 6.259 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 64 4.513 6.187 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.950 6.985 -7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.254 6.429 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.910 5.472 -9.600 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.539 5.575 -10.276 1.00 0.00 H new