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 80:sc= -1.8! 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= -0.0964 K(o=-0.096,f=-1.7!) USER MOD Single : A 31 MET CE :methyl 159:sc= -2.47 (180deg=-3.44) USER MOD Single : A 32 THR OG1 : rot 122:sc= 0.0454 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 -119:sc= 0.0926 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.295 USER MOD Single : A 58 THR OG1 : rot 64:sc= 1.32 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.456 F(o=-1.1,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -9.001 3.438 2.287 1.00 0.00 N ATOM 180 CA PHE A 15 -8.479 2.839 3.509 1.00 0.00 C ATOM 181 C PHE A 15 -8.856 3.675 4.729 1.00 0.00 C ATOM 182 O PHE A 15 -9.109 4.874 4.618 1.00 0.00 O ATOM 183 CB PHE A 15 -6.957 2.698 3.424 1.00 0.00 C ATOM 184 CG PHE A 15 -6.509 1.504 2.630 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.839 0.221 3.038 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.759 1.664 1.477 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.428 -0.879 2.310 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.345 0.568 0.744 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.681 -0.706 1.161 1.00 0.00 C ATOM 0 HA PHE A 15 -8.923 1.850 3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.541 3.600 2.975 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.550 2.627 4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.424 0.080 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.494 2.658 1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.691 -1.874 2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.760 0.707 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.360 -1.565 0.590 1.00 0.00 H new ATOM 199 N SER A 16 -8.891 3.032 5.892 1.00 0.00 N ATOM 200 CA SER A 16 -9.241 3.714 7.132 1.00 0.00 C ATOM 201 C SER A 16 -8.003 3.948 7.992 1.00 0.00 C ATOM 202 O SER A 16 -7.045 3.176 7.943 1.00 0.00 O ATOM 203 CB SER A 16 -10.272 2.898 7.914 1.00 0.00 C ATOM 204 OG SER A 16 -11.593 3.251 7.539 1.00 0.00 O ATOM 0 H SER A 16 -8.681 2.040 6.001 1.00 0.00 H new ATOM 0 HA SER A 16 -9.672 4.682 6.876 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.111 1.835 7.734 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.137 3.064 8.983 1.00 0.00 H new ATOM 0 HG SER A 16 -12.233 2.714 8.052 1.00 0.00 H new ATOM 210 N ASP A 17 -8.030 5.017 8.779 1.00 0.00 N ATOM 211 CA ASP A 17 -6.911 5.354 9.651 1.00 0.00 C ATOM 212 C ASP A 17 -6.238 4.092 10.182 1.00 0.00 C ATOM 213 O ASP A 17 -5.011 4.010 10.243 1.00 0.00 O ATOM 214 CB ASP A 17 -7.388 6.222 10.817 1.00 0.00 C ATOM 215 CG ASP A 17 -6.504 6.084 12.041 1.00 0.00 C ATOM 216 OD1 ASP A 17 -6.770 5.186 12.866 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.547 6.876 12.174 1.00 0.00 O ATOM 0 H ASP A 17 -8.815 5.666 8.831 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.182 5.915 9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.410 7.266 10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.410 5.946 11.077 1.00 0.00 H new ATOM 222 N ARG A 18 -7.049 3.112 10.568 1.00 0.00 N ATOM 223 CA ARG A 18 -6.532 1.856 11.096 1.00 0.00 C ATOM 224 C ARG A 18 -5.648 1.156 10.068 1.00 0.00 C ATOM 225 O ARG A 18 -4.473 0.892 10.322 1.00 0.00 O ATOM 226 CB ARG A 18 -7.685 0.937 11.504 1.00 0.00 C ATOM 227 CG ARG A 18 -8.481 1.448 12.693 1.00 0.00 C ATOM 228 CD ARG A 18 -9.579 0.474 13.089 1.00 0.00 C ATOM 229 NE ARG A 18 -10.743 0.574 12.212 1.00 0.00 N ATOM 230 CZ ARG A 18 -11.664 1.526 12.319 1.00 0.00 C ATOM 231 NH1 ARG A 18 -11.557 2.454 13.260 1.00 0.00 N ATOM 232 NH2 ARG A 18 -12.694 1.550 11.483 1.00 0.00 N ATOM 0 H ARG A 18 -8.067 3.164 10.525 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.928 2.082 11.975 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.357 0.812 10.655 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.286 -0.049 11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.812 1.607 13.539 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.921 2.415 12.449 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.189 -0.543 13.059 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.882 0.669 14.118 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.855 -0.125 11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.766 2.438 13.904 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.265 3.184 13.340 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.779 0.838 10.758 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.401 2.281 11.565 1.00 0.00 H new ATOM 246 N ASP A 19 -6.222 0.858 8.908 1.00 0.00 N ATOM 247 CA ASP A 19 -5.487 0.189 7.840 1.00 0.00 C ATOM 248 C ASP A 19 -4.285 1.021 7.405 1.00 0.00 C ATOM 249 O ASP A 19 -3.143 0.562 7.469 1.00 0.00 O ATOM 250 CB ASP A 19 -6.405 -0.068 6.644 1.00 0.00 C ATOM 251 CG ASP A 19 -7.757 -0.614 7.058 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.812 -1.770 7.528 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.760 0.116 6.914 1.00 0.00 O ATOM 0 H ASP A 19 -7.194 1.069 8.683 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.126 -0.766 8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.545 0.861 6.091 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.924 -0.773 5.966 1.00 0.00 H new ATOM 258 N LEU A 20 -4.548 2.245 6.961 1.00 0.00 N ATOM 259 CA LEU A 20 -3.487 3.141 6.514 1.00 0.00 C ATOM 260 C LEU A 20 -2.283 3.070 7.449 1.00 0.00 C ATOM 261 O LEU A 20 -1.148 2.907 7.003 1.00 0.00 O ATOM 262 CB LEU A 20 -4.004 4.579 6.440 1.00 0.00 C ATOM 263 CG LEU A 20 -4.814 4.937 5.193 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.350 6.357 5.295 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.965 4.774 3.941 1.00 0.00 C ATOM 0 H LEU A 20 -5.487 2.640 6.901 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.172 2.822 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.623 4.767 7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.151 5.254 6.501 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.661 4.255 5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.924 6.595 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.993 6.441 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.517 7.054 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.557 5.033 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.098 5.432 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.630 3.740 3.860 1.00 0.00 H new ATOM 277 N ALA A 21 -2.541 3.190 8.747 1.00 0.00 N ATOM 278 CA ALA A 21 -1.479 3.135 9.744 1.00 0.00 C ATOM 279 C ALA A 21 -0.438 2.082 9.380 1.00 0.00 C ATOM 280 O ALA A 21 0.766 2.320 9.490 1.00 0.00 O ATOM 281 CB ALA A 21 -2.063 2.848 11.120 1.00 0.00 C ATOM 0 H ALA A 21 -3.476 3.326 9.133 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.984 4.106 9.766 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.259 2.809 11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.764 3.638 11.390 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.584 1.891 11.102 1.00 0.00 H new ATOM 287 N THR A 22 -0.907 0.917 8.945 1.00 0.00 N ATOM 288 CA THR A 22 -0.016 -0.173 8.566 1.00 0.00 C ATOM 289 C THR A 22 0.791 0.184 7.323 1.00 0.00 C ATOM 290 O THR A 22 2.020 0.110 7.327 1.00 0.00 O ATOM 291 CB THR A 22 -0.800 -1.472 8.300 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.611 -1.796 9.435 1.00 0.00 O ATOM 293 CG2 THR A 22 0.148 -2.624 8.002 1.00 0.00 C ATOM 0 H THR A 22 -1.900 0.704 8.846 1.00 0.00 H new ATOM 0 HA THR A 22 0.663 -0.332 9.403 1.00 0.00 H new ATOM 0 HB THR A 22 -1.439 -1.314 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.427 -1.253 9.420 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.428 -3.531 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.743 -2.387 7.120 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.809 -2.781 8.854 1.00 0.00 H new ATOM 301 N LEU A 23 0.093 0.573 6.262 1.00 0.00 N ATOM 302 CA LEU A 23 0.746 0.943 5.011 1.00 0.00 C ATOM 303 C LEU A 23 1.798 2.022 5.244 1.00 0.00 C ATOM 304 O LEU A 23 2.942 1.894 4.807 1.00 0.00 O ATOM 305 CB LEU A 23 -0.290 1.434 3.998 1.00 0.00 C ATOM 306 CG LEU A 23 -1.042 0.349 3.227 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.256 0.938 2.524 1.00 0.00 C ATOM 308 CD2 LEU A 23 -0.120 -0.329 2.224 1.00 0.00 C ATOM 0 H LEU A 23 -0.925 0.640 6.243 1.00 0.00 H new ATOM 0 HA LEU A 23 1.243 0.058 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.020 2.050 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.213 2.080 3.279 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.388 -0.402 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.779 0.151 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.927 1.376 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.933 1.709 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.672 -1.098 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.256 0.411 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.718 -0.786 2.751 1.00 0.00 H new ATOM 320 N LYS A 24 1.404 3.085 5.937 1.00 0.00 N ATOM 321 CA LYS A 24 2.313 4.186 6.232 1.00 0.00 C ATOM 322 C LYS A 24 3.558 3.685 6.957 1.00 0.00 C ATOM 323 O LYS A 24 4.683 4.017 6.583 1.00 0.00 O ATOM 324 CB LYS A 24 1.606 5.244 7.083 1.00 0.00 C ATOM 325 CG LYS A 24 0.534 6.012 6.331 1.00 0.00 C ATOM 326 CD LYS A 24 0.169 7.304 7.043 1.00 0.00 C ATOM 327 CE LYS A 24 1.308 8.311 6.989 1.00 0.00 C ATOM 328 NZ LYS A 24 0.825 9.706 7.185 1.00 0.00 N ATOM 0 H LYS A 24 0.461 3.207 6.305 1.00 0.00 H new ATOM 0 HA LYS A 24 2.620 4.634 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.154 4.759 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.347 5.948 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.886 6.237 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.355 5.390 6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.721 7.735 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.080 7.090 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.043 8.070 7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.815 8.234 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.631 10.362 7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.143 9.945 6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.363 9.786 8.113 1.00 0.00 H new ATOM 342 N LYS A 25 3.349 2.881 7.995 1.00 0.00 N ATOM 343 CA LYS A 25 4.454 2.331 8.771 1.00 0.00 C ATOM 344 C LYS A 25 5.552 1.801 7.854 1.00 0.00 C ATOM 345 O LYS A 25 6.739 2.011 8.106 1.00 0.00 O ATOM 346 CB LYS A 25 3.954 1.211 9.685 1.00 0.00 C ATOM 347 CG LYS A 25 4.823 0.993 10.912 1.00 0.00 C ATOM 348 CD LYS A 25 4.040 0.346 12.042 1.00 0.00 C ATOM 349 CE LYS A 25 4.868 0.257 13.315 1.00 0.00 C ATOM 350 NZ LYS A 25 4.447 -0.884 14.173 1.00 0.00 N ATOM 0 H LYS A 25 2.424 2.596 8.318 1.00 0.00 H new ATOM 0 HA LYS A 25 4.870 3.132 9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.938 1.442 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.905 0.283 9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.673 0.363 10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.226 1.948 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.135 0.922 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.724 -0.653 11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.921 0.147 13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.773 1.187 13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.036 -0.910 15.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.449 -0.767 14.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.562 -1.774 13.648 1.00 0.00 H new ATOM 364 N TYR A 26 5.149 1.116 6.790 1.00 0.00 N ATOM 365 CA TYR A 26 6.098 0.555 5.837 1.00 0.00 C ATOM 366 C TYR A 26 6.732 1.654 4.989 1.00 0.00 C ATOM 367 O TYR A 26 7.897 1.562 4.603 1.00 0.00 O ATOM 368 CB TYR A 26 5.404 -0.465 4.933 1.00 0.00 C ATOM 369 CG TYR A 26 5.269 -1.835 5.559 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.175 -2.152 6.355 1.00 0.00 C ATOM 371 CD2 TYR A 26 6.235 -2.813 5.354 1.00 0.00 C ATOM 372 CE1 TYR A 26 4.048 -3.402 6.929 1.00 0.00 C ATOM 373 CE2 TYR A 26 6.116 -4.066 5.923 1.00 0.00 C ATOM 374 CZ TYR A 26 5.021 -4.355 6.710 1.00 0.00 C ATOM 375 OH TYR A 26 4.897 -5.602 7.279 1.00 0.00 O ATOM 0 H TYR A 26 4.170 0.936 6.566 1.00 0.00 H new ATOM 0 HA TYR A 26 6.886 0.054 6.400 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.412 -0.094 4.674 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.964 -0.554 4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.411 -1.408 6.528 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.094 -2.589 4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.192 -3.632 7.546 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.876 -4.815 5.753 1.00 0.00 H new ATOM 0 HH TYR A 26 5.665 -6.155 7.026 1.00 0.00 H new ATOM 385 N TRP A 27 5.955 2.693 4.703 1.00 0.00 N ATOM 386 CA TRP A 27 6.439 3.811 3.901 1.00 0.00 C ATOM 387 C TRP A 27 7.671 4.444 4.538 1.00 0.00 C ATOM 388 O TRP A 27 8.486 5.063 3.853 1.00 0.00 O ATOM 389 CB TRP A 27 5.339 4.860 3.735 1.00 0.00 C ATOM 390 CG TRP A 27 5.774 6.057 2.945 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.700 6.990 3.314 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.298 6.451 1.654 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.829 7.940 2.330 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.980 7.631 1.300 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.363 5.920 0.760 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.755 8.288 0.093 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.141 6.573 -0.437 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.834 7.746 -0.763 1.00 0.00 C ATOM 0 H TRP A 27 4.988 2.784 5.014 1.00 0.00 H new ATOM 0 HA TRP A 27 6.717 3.428 2.919 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.481 4.402 3.244 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.006 5.186 4.720 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.250 6.982 4.243 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.455 8.745 2.361 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.824 5.016 1.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.288 9.193 -0.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.420 6.172 -1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.638 8.232 -1.707 1.00 0.00 H new ATOM 409 N ASP A 28 7.801 4.286 5.850 1.00 0.00 N ATOM 410 CA ASP A 28 8.935 4.842 6.579 1.00 0.00 C ATOM 411 C ASP A 28 10.220 4.097 6.235 1.00 0.00 C ATOM 412 O ASP A 28 11.303 4.464 6.688 1.00 0.00 O ATOM 413 CB ASP A 28 8.681 4.778 8.086 1.00 0.00 C ATOM 414 CG ASP A 28 9.794 5.424 8.889 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.811 4.746 9.145 1.00 0.00 O ATOM 416 OD2 ASP A 28 9.647 6.607 9.259 1.00 0.00 O ATOM 0 H ASP A 28 7.135 3.777 6.431 1.00 0.00 H new ATOM 0 HA ASP A 28 9.050 5.884 6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.738 5.274 8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.575 3.737 8.390 1.00 0.00 H new ATOM 421 N ASN A 29 10.092 3.046 5.431 1.00 0.00 N ATOM 422 CA ASN A 29 11.243 2.247 5.027 1.00 0.00 C ATOM 423 C ASN A 29 11.464 2.335 3.520 1.00 0.00 C ATOM 424 O ASN A 29 12.186 1.524 2.940 1.00 0.00 O ATOM 425 CB ASN A 29 11.048 0.787 5.441 1.00 0.00 C ATOM 426 CG ASN A 29 11.577 0.506 6.834 1.00 0.00 C ATOM 427 OD1 ASN A 29 12.041 1.410 7.529 1.00 0.00 O ATOM 428 ND2 ASN A 29 11.510 -0.754 7.249 1.00 0.00 N ATOM 0 H ASN A 29 9.202 2.728 5.047 1.00 0.00 H new ATOM 0 HA ASN A 29 12.124 2.645 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.987 0.539 5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.554 0.139 4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.851 -1.004 8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.117 -1.472 6.639 1.00 0.00 H new ATOM 435 N GLY A 30 10.838 3.325 2.892 1.00 0.00 N ATOM 436 CA GLY A 30 10.980 3.501 1.458 1.00 0.00 C ATOM 437 C GLY A 30 9.975 2.683 0.672 1.00 0.00 C ATOM 438 O GLY A 30 10.274 2.204 -0.421 1.00 0.00 O ATOM 0 H GLY A 30 10.235 4.008 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.859 4.556 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.989 3.217 1.158 1.00 0.00 H new ATOM 442 N MET A 31 8.780 2.521 1.230 1.00 0.00 N ATOM 443 CA MET A 31 7.728 1.754 0.573 1.00 0.00 C ATOM 444 C MET A 31 6.958 2.623 -0.416 1.00 0.00 C ATOM 445 O MET A 31 5.758 2.434 -0.622 1.00 0.00 O ATOM 446 CB MET A 31 6.768 1.171 1.612 1.00 0.00 C ATOM 447 CG MET A 31 6.127 -0.138 1.180 1.00 0.00 C ATOM 448 SD MET A 31 4.484 -0.373 1.885 1.00 0.00 S ATOM 449 CE MET A 31 3.578 0.944 1.077 1.00 0.00 C ATOM 0 H MET A 31 8.516 2.910 2.135 1.00 0.00 H new ATOM 0 HA MET A 31 8.197 0.938 0.024 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.309 1.011 2.545 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.984 1.899 1.819 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.058 -0.163 0.092 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.768 -0.968 1.478 1.00 0.00 H new ATOM 0 HE1 MET A 31 2.511 0.720 1.102 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.764 1.885 1.595 1.00 0.00 H new ATOM 0 HE3 MET A 31 3.907 1.029 0.041 1.00 0.00 H new ATOM 459 N THR A 32 7.655 3.577 -1.026 1.00 0.00 N ATOM 460 CA THR A 32 7.037 4.476 -1.992 1.00 0.00 C ATOM 461 C THR A 32 7.569 4.222 -3.398 1.00 0.00 C ATOM 462 O THR A 32 8.016 5.145 -4.078 1.00 0.00 O ATOM 463 CB THR A 32 7.279 5.951 -1.622 1.00 0.00 C ATOM 464 OG1 THR A 32 6.841 6.802 -2.687 1.00 0.00 O ATOM 465 CG2 THR A 32 8.753 6.203 -1.339 1.00 0.00 C ATOM 0 H THR A 32 8.648 3.747 -0.868 1.00 0.00 H new ATOM 0 HA THR A 32 5.966 4.275 -1.970 1.00 0.00 H new ATOM 0 HB THR A 32 6.708 6.175 -0.721 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.169 7.430 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.900 7.252 -1.080 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.077 5.575 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.340 5.963 -2.226 1.00 0.00 H new ATOM 473 N SER A 33 7.517 2.966 -3.828 1.00 0.00 N ATOM 474 CA SER A 33 7.997 2.590 -5.153 1.00 0.00 C ATOM 475 C SER A 33 7.406 1.252 -5.586 1.00 0.00 C ATOM 476 O SER A 33 7.007 0.437 -4.752 1.00 0.00 O ATOM 477 CB SER A 33 9.525 2.513 -5.162 1.00 0.00 C ATOM 478 OG SER A 33 10.043 2.823 -6.443 1.00 0.00 O ATOM 0 H SER A 33 7.147 2.191 -3.278 1.00 0.00 H new ATOM 0 HA SER A 33 7.675 3.355 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.932 3.205 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.844 1.512 -4.870 1.00 0.00 H new ATOM 0 HG SER A 33 11.021 2.769 -6.422 1.00 0.00 H new ATOM 484 N LEU A 34 7.352 1.032 -6.895 1.00 0.00 N ATOM 485 CA LEU A 34 6.810 -0.207 -7.441 1.00 0.00 C ATOM 486 C LEU A 34 7.920 -1.222 -7.695 1.00 0.00 C ATOM 487 O LEU A 34 7.726 -2.425 -7.525 1.00 0.00 O ATOM 488 CB LEU A 34 6.052 0.073 -8.740 1.00 0.00 C ATOM 489 CG LEU A 34 4.651 0.664 -8.585 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.239 1.400 -9.851 1.00 0.00 C ATOM 491 CD2 LEU A 34 3.645 -0.428 -8.250 1.00 0.00 C ATOM 0 H LEU A 34 7.677 1.696 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 34 6.120 -0.626 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.648 0.756 -9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.971 -0.860 -9.298 1.00 0.00 H new ATOM 0 HG LEU A 34 4.668 1.379 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.239 1.814 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.944 2.208 -10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.239 0.706 -10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.653 0.011 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.630 -1.167 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.930 -0.911 -7.315 1.00 0.00 H new ATOM 503 N GLY A 35 9.085 -0.727 -8.101 1.00 0.00 N ATOM 504 CA GLY A 35 10.210 -1.604 -8.370 1.00 0.00 C ATOM 505 C GLY A 35 10.264 -2.785 -7.421 1.00 0.00 C ATOM 506 O GLY A 35 9.996 -2.644 -6.228 1.00 0.00 O ATOM 0 H GLY A 35 9.270 0.265 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.146 -1.968 -9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.137 -1.036 -8.291 1.00 0.00 H new ATOM 510 N SER A 36 10.609 -3.953 -7.953 1.00 0.00 N ATOM 511 CA SER A 36 10.692 -5.165 -7.146 1.00 0.00 C ATOM 512 C SER A 36 11.415 -4.894 -5.831 1.00 0.00 C ATOM 513 O SER A 36 11.175 -5.565 -4.826 1.00 0.00 O ATOM 514 CB SER A 36 11.414 -6.270 -7.920 1.00 0.00 C ATOM 515 OG SER A 36 10.529 -6.933 -8.807 1.00 0.00 O ATOM 0 H SER A 36 10.835 -4.086 -8.939 1.00 0.00 H new ATOM 0 HA SER A 36 9.677 -5.492 -6.921 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.244 -5.842 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.840 -6.990 -7.221 1.00 0.00 H new ATOM 0 HG SER A 36 11.015 -7.633 -9.291 1.00 0.00 H new ATOM 521 N VAL A 37 12.304 -3.906 -5.844 1.00 0.00 N ATOM 522 CA VAL A 37 13.063 -3.544 -4.653 1.00 0.00 C ATOM 523 C VAL A 37 12.145 -3.368 -3.448 1.00 0.00 C ATOM 524 O VAL A 37 12.492 -3.751 -2.330 1.00 0.00 O ATOM 525 CB VAL A 37 13.861 -2.244 -4.869 1.00 0.00 C ATOM 526 CG1 VAL A 37 14.888 -2.427 -5.977 1.00 0.00 C ATOM 527 CG2 VAL A 37 12.923 -1.090 -5.186 1.00 0.00 C ATOM 0 H VAL A 37 12.516 -3.342 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 37 13.758 -4.361 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 37 14.393 -2.007 -3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.442 -1.499 -6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.579 -3.225 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.379 -2.688 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.504 -0.180 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.362 -1.316 -6.093 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.230 -0.946 -4.357 1.00 0.00 H new ATOM 537 N CYS A 38 10.973 -2.789 -3.684 1.00 0.00 N ATOM 538 CA CYS A 38 10.004 -2.563 -2.618 1.00 0.00 C ATOM 539 C CYS A 38 8.928 -3.644 -2.623 1.00 0.00 C ATOM 540 O CYS A 38 8.283 -3.896 -1.605 1.00 0.00 O ATOM 541 CB CYS A 38 9.360 -1.184 -2.771 1.00 0.00 C ATOM 542 SG CYS A 38 10.513 0.195 -2.578 1.00 0.00 S ATOM 0 H CYS A 38 10.671 -2.468 -4.604 1.00 0.00 H new ATOM 0 HA CYS A 38 10.532 -2.606 -1.665 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.895 -1.119 -3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.563 -1.083 -2.034 1.00 0.00 H new ATOM 0 HG CYS A 38 10.139 0.936 -1.578 1.00 0.00 H new ATOM 548 N ARG A 39 8.739 -4.278 -3.775 1.00 0.00 N ATOM 549 CA ARG A 39 7.739 -5.330 -3.913 1.00 0.00 C ATOM 550 C ARG A 39 7.840 -6.330 -2.764 1.00 0.00 C ATOM 551 O ARG A 39 6.827 -6.759 -2.213 1.00 0.00 O ATOM 552 CB ARG A 39 7.911 -6.055 -5.249 1.00 0.00 C ATOM 553 CG ARG A 39 6.909 -7.176 -5.467 1.00 0.00 C ATOM 554 CD ARG A 39 6.675 -7.434 -6.948 1.00 0.00 C ATOM 555 NE ARG A 39 7.755 -8.216 -7.544 1.00 0.00 N ATOM 556 CZ ARG A 39 7.691 -8.751 -8.758 1.00 0.00 C ATOM 557 NH1 ARG A 39 6.605 -8.588 -9.502 1.00 0.00 N ATOM 558 NH2 ARG A 39 8.716 -9.449 -9.232 1.00 0.00 N ATOM 0 H ARG A 39 9.265 -4.082 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 39 6.753 -4.865 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.817 -5.332 -6.060 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.920 -6.465 -5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.271 -8.087 -4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.964 -6.919 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.730 -7.961 -7.079 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.584 -6.483 -7.472 1.00 0.00 H new ATOM 0 HE ARG A 39 8.605 -8.359 -6.998 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.816 -8.051 -9.142 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.559 -9.000 -10.434 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.554 -9.575 -8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.666 -9.859 -10.164 1.00 0.00 H new ATOM 572 N GLU A 40 9.068 -6.695 -2.409 1.00 0.00 N ATOM 573 CA GLU A 40 9.299 -7.644 -1.327 1.00 0.00 C ATOM 574 C GLU A 40 8.594 -7.196 -0.050 1.00 0.00 C ATOM 575 O GLU A 40 7.920 -7.986 0.611 1.00 0.00 O ATOM 576 CB GLU A 40 10.799 -7.799 -1.066 1.00 0.00 C ATOM 577 CG GLU A 40 11.484 -8.769 -2.014 1.00 0.00 C ATOM 578 CD GLU A 40 12.987 -8.815 -1.817 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.630 -7.748 -1.911 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.520 -9.916 -1.568 1.00 0.00 O ATOM 0 H GLU A 40 9.917 -6.348 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 40 8.888 -8.607 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.277 -6.823 -1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.948 -8.139 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.071 -9.767 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.265 -8.482 -3.042 1.00 0.00 H new ATOM 587 N LYS A 41 8.754 -5.922 0.292 1.00 0.00 N ATOM 588 CA LYS A 41 8.134 -5.366 1.488 1.00 0.00 C ATOM 589 C LYS A 41 6.613 -5.392 1.375 1.00 0.00 C ATOM 590 O LYS A 41 5.914 -5.695 2.342 1.00 0.00 O ATOM 591 CB LYS A 41 8.614 -3.931 1.717 1.00 0.00 C ATOM 592 CG LYS A 41 10.009 -3.845 2.313 1.00 0.00 C ATOM 593 CD LYS A 41 9.986 -4.049 3.818 1.00 0.00 C ATOM 594 CE LYS A 41 11.327 -3.708 4.448 1.00 0.00 C ATOM 595 NZ LYS A 41 12.388 -4.676 4.053 1.00 0.00 N ATOM 0 H LYS A 41 9.309 -5.254 -0.244 1.00 0.00 H new ATOM 0 HA LYS A 41 8.428 -5.981 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.600 -3.396 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.913 -3.423 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.649 -4.598 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.444 -2.872 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.207 -3.426 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.731 -5.085 4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.623 -2.703 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.227 -3.702 5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.287 -4.409 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.118 -5.632 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.502 -4.664 3.019 1.00 0.00 H new ATOM 609 N ILE A 42 6.107 -5.075 0.188 1.00 0.00 N ATOM 610 CA ILE A 42 4.669 -5.065 -0.052 1.00 0.00 C ATOM 611 C ILE A 42 4.051 -6.423 0.259 1.00 0.00 C ATOM 612 O ILE A 42 2.956 -6.504 0.816 1.00 0.00 O ATOM 613 CB ILE A 42 4.344 -4.686 -1.509 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.794 -3.253 -1.800 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.855 -4.844 -1.777 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.018 -2.977 -3.270 1.00 0.00 C ATOM 0 H ILE A 42 6.672 -4.822 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 42 4.243 -4.314 0.613 1.00 0.00 H new ATOM 0 HB ILE A 42 4.887 -5.358 -2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.043 -2.561 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.717 -3.053 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.641 -4.573 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.562 -5.880 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.294 -4.193 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.335 -1.943 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.790 -3.645 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.090 -3.144 -3.817 1.00 0.00 H new ATOM 628 N GLU A 43 4.760 -7.487 -0.103 1.00 0.00 N ATOM 629 CA GLU A 43 4.281 -8.843 0.139 1.00 0.00 C ATOM 630 C GLU A 43 3.956 -9.050 1.616 1.00 0.00 C ATOM 631 O GLU A 43 3.219 -9.967 1.977 1.00 0.00 O ATOM 632 CB GLU A 43 5.325 -9.866 -0.313 1.00 0.00 C ATOM 633 CG GLU A 43 5.662 -9.780 -1.792 1.00 0.00 C ATOM 634 CD GLU A 43 4.769 -10.659 -2.645 1.00 0.00 C ATOM 635 OE1 GLU A 43 3.536 -10.617 -2.454 1.00 0.00 O ATOM 636 OE2 GLU A 43 5.304 -11.390 -3.505 1.00 0.00 O ATOM 0 H GLU A 43 5.668 -7.437 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 43 3.369 -8.987 -0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.236 -9.723 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.959 -10.868 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.570 -8.745 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.702 -10.071 -1.942 1.00 0.00 H new ATOM 643 N ALA A 44 4.511 -8.191 2.464 1.00 0.00 N ATOM 644 CA ALA A 44 4.280 -8.277 3.900 1.00 0.00 C ATOM 645 C ALA A 44 3.095 -7.414 4.318 1.00 0.00 C ATOM 646 O ALA A 44 2.085 -7.922 4.807 1.00 0.00 O ATOM 647 CB ALA A 44 5.531 -7.865 4.662 1.00 0.00 C ATOM 0 H ALA A 44 5.124 -7.427 2.181 1.00 0.00 H new ATOM 0 HA ALA A 44 4.045 -9.313 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.344 -7.934 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.355 -8.527 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.792 -6.838 4.405 1.00 0.00 H new ATOM 653 N VAL A 45 3.224 -6.105 4.124 1.00 0.00 N ATOM 654 CA VAL A 45 2.163 -5.171 4.481 1.00 0.00 C ATOM 655 C VAL A 45 0.818 -5.628 3.926 1.00 0.00 C ATOM 656 O VAL A 45 -0.233 -5.318 4.485 1.00 0.00 O ATOM 657 CB VAL A 45 2.465 -3.753 3.960 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.264 -3.683 2.454 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.594 -2.728 4.671 1.00 0.00 C ATOM 0 H VAL A 45 4.053 -5.668 3.722 1.00 0.00 H new ATOM 0 HA VAL A 45 2.115 -5.148 5.570 1.00 0.00 H new ATOM 0 HB VAL A 45 3.508 -3.521 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.482 -2.674 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.934 -4.389 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.231 -3.935 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.820 -1.732 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.543 -2.955 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.793 -2.762 5.742 1.00 0.00 H new ATOM 669 N ALA A 46 0.860 -6.368 2.823 1.00 0.00 N ATOM 670 CA ALA A 46 -0.355 -6.871 2.194 1.00 0.00 C ATOM 671 C ALA A 46 -0.907 -8.074 2.951 1.00 0.00 C ATOM 672 O ALA A 46 -2.105 -8.150 3.229 1.00 0.00 O ATOM 673 CB ALA A 46 -0.084 -7.237 0.742 1.00 0.00 C ATOM 0 H ALA A 46 1.722 -6.632 2.347 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.105 -6.081 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.000 -7.611 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.257 -6.354 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.685 -8.008 0.699 1.00 0.00 H new ATOM 679 N THR A 47 -0.028 -9.014 3.283 1.00 0.00 N ATOM 680 CA THR A 47 -0.428 -10.215 4.006 1.00 0.00 C ATOM 681 C THR A 47 -0.802 -9.889 5.448 1.00 0.00 C ATOM 682 O THR A 47 -1.505 -10.656 6.104 1.00 0.00 O ATOM 683 CB THR A 47 0.692 -11.272 4.004 1.00 0.00 C ATOM 684 OG1 THR A 47 0.149 -12.562 4.306 1.00 0.00 O ATOM 685 CG2 THR A 47 1.770 -10.919 5.018 1.00 0.00 C ATOM 0 H THR A 47 0.967 -8.967 3.062 1.00 0.00 H new ATOM 0 HA THR A 47 -1.299 -10.619 3.490 1.00 0.00 H new ATOM 0 HB THR A 47 1.142 -11.292 3.011 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.867 -13.229 4.301 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.551 -11.680 4.999 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.202 -9.950 4.768 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.331 -10.874 6.015 1.00 0.00 H new ATOM 693 N GLU A 48 -0.326 -8.747 5.934 1.00 0.00 N ATOM 694 CA GLU A 48 -0.611 -8.321 7.299 1.00 0.00 C ATOM 695 C GLU A 48 -2.004 -7.706 7.398 1.00 0.00 C ATOM 696 O GLU A 48 -2.716 -7.907 8.383 1.00 0.00 O ATOM 697 CB GLU A 48 0.439 -7.313 7.773 1.00 0.00 C ATOM 698 CG GLU A 48 0.028 -6.547 9.019 1.00 0.00 C ATOM 699 CD GLU A 48 -0.521 -7.451 10.105 1.00 0.00 C ATOM 700 OE1 GLU A 48 0.217 -8.351 10.557 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.689 -7.259 10.503 1.00 0.00 O ATOM 0 H GLU A 48 0.258 -8.101 5.403 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.575 -9.201 7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.372 -7.840 7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.638 -6.604 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.889 -6.002 9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.726 -5.806 8.753 1.00 0.00 H new ATOM 708 N LEU A 49 -2.386 -6.955 6.371 1.00 0.00 N ATOM 709 CA LEU A 49 -3.694 -6.309 6.340 1.00 0.00 C ATOM 710 C LEU A 49 -4.733 -7.214 5.686 1.00 0.00 C ATOM 711 O LEU A 49 -5.924 -6.905 5.681 1.00 0.00 O ATOM 712 CB LEU A 49 -3.610 -4.980 5.586 1.00 0.00 C ATOM 713 CG LEU A 49 -2.771 -3.886 6.245 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.624 -2.692 5.315 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.392 -3.461 7.568 1.00 0.00 C ATOM 0 H LEU A 49 -1.809 -6.778 5.549 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.002 -6.118 7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.203 -5.174 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.622 -4.600 5.447 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.778 -4.288 6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.024 -1.923 5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.133 -3.007 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.610 -2.289 5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.781 -2.681 8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.397 -3.078 7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.443 -4.319 8.238 1.00 0.00 H new ATOM 727 N ASN A 50 -4.274 -8.333 5.137 1.00 0.00 N ATOM 728 CA ASN A 50 -5.164 -9.284 4.482 1.00 0.00 C ATOM 729 C ASN A 50 -5.856 -8.644 3.283 1.00 0.00 C ATOM 730 O ASN A 50 -7.052 -8.839 3.065 1.00 0.00 O ATOM 731 CB ASN A 50 -6.210 -9.801 5.472 1.00 0.00 C ATOM 732 CG ASN A 50 -5.676 -10.921 6.345 1.00 0.00 C ATOM 733 OD1 ASN A 50 -5.299 -10.700 7.496 1.00 0.00 O ATOM 734 ND2 ASN A 50 -5.642 -12.131 5.800 1.00 0.00 N ATOM 0 H ASN A 50 -3.291 -8.604 5.133 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.563 -10.122 4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.545 -8.979 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.082 -10.156 4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.293 -12.924 6.339 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.965 -12.268 4.842 1.00 0.00 H new ATOM 741 N VAL A 51 -5.095 -7.880 2.506 1.00 0.00 N ATOM 742 CA VAL A 51 -5.634 -7.212 1.327 1.00 0.00 C ATOM 743 C VAL A 51 -4.855 -7.595 0.074 1.00 0.00 C ATOM 744 O VAL A 51 -3.654 -7.861 0.134 1.00 0.00 O ATOM 745 CB VAL A 51 -5.606 -5.681 1.487 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.437 -5.254 2.687 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.173 -5.185 1.618 1.00 0.00 C ATOM 0 H VAL A 51 -4.103 -7.708 2.672 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.668 -7.540 1.223 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.042 -5.232 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.405 -4.169 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.469 -5.576 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.033 -5.711 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.172 -4.101 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.709 -5.641 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.610 -5.458 0.725 1.00 0.00 H new ATOM 757 N ASP A 52 -5.545 -7.622 -1.060 1.00 0.00 N ATOM 758 CA ASP A 52 -4.918 -7.972 -2.330 1.00 0.00 C ATOM 759 C ASP A 52 -3.621 -7.193 -2.527 1.00 0.00 C ATOM 760 O ASP A 52 -3.614 -5.961 -2.494 1.00 0.00 O ATOM 761 CB ASP A 52 -5.875 -7.695 -3.490 1.00 0.00 C ATOM 762 CG ASP A 52 -6.745 -8.892 -3.820 1.00 0.00 C ATOM 763 OD1 ASP A 52 -6.237 -9.835 -4.464 1.00 0.00 O ATOM 764 OD2 ASP A 52 -7.932 -8.887 -3.435 1.00 0.00 O ATOM 0 H ASP A 52 -6.540 -7.406 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.683 -9.036 -2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.510 -6.846 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.300 -7.413 -4.372 1.00 0.00 H new ATOM 769 N CYS A 53 -2.527 -7.917 -2.732 1.00 0.00 N ATOM 770 CA CYS A 53 -1.223 -7.294 -2.933 1.00 0.00 C ATOM 771 C CYS A 53 -1.325 -6.122 -3.904 1.00 0.00 C ATOM 772 O CYS A 53 -0.730 -5.068 -3.683 1.00 0.00 O ATOM 773 CB CYS A 53 -0.220 -8.321 -3.458 1.00 0.00 C ATOM 774 SG CYS A 53 -0.749 -9.167 -4.965 1.00 0.00 S ATOM 0 H CYS A 53 -2.516 -8.936 -2.764 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.875 -6.917 -1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.729 -7.821 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.038 -9.064 -2.682 1.00 0.00 H new ATOM 0 HG CYS A 53 0.167 -10.014 -5.332 1.00 0.00 H new ATOM 780 N GLU A 54 -2.082 -6.315 -4.979 1.00 0.00 N ATOM 781 CA GLU A 54 -2.259 -5.274 -5.985 1.00 0.00 C ATOM 782 C GLU A 54 -2.743 -3.976 -5.345 1.00 0.00 C ATOM 783 O GLU A 54 -2.292 -2.889 -5.706 1.00 0.00 O ATOM 784 CB GLU A 54 -3.255 -5.731 -7.053 1.00 0.00 C ATOM 785 CG GLU A 54 -3.562 -4.666 -8.093 1.00 0.00 C ATOM 786 CD GLU A 54 -4.151 -5.246 -9.365 1.00 0.00 C ATOM 787 OE1 GLU A 54 -3.370 -5.660 -10.246 1.00 0.00 O ATOM 788 OE2 GLU A 54 -5.394 -5.285 -9.478 1.00 0.00 O ATOM 0 H GLU A 54 -2.582 -7.182 -5.176 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.293 -5.089 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.858 -6.613 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.183 -6.031 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.259 -3.942 -7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.647 -4.125 -8.334 1.00 0.00 H new ATOM 795 N ILE A 55 -3.663 -4.099 -4.394 1.00 0.00 N ATOM 796 CA ILE A 55 -4.208 -2.936 -3.704 1.00 0.00 C ATOM 797 C ILE A 55 -3.094 -2.064 -3.134 1.00 0.00 C ATOM 798 O ILE A 55 -3.152 -0.837 -3.208 1.00 0.00 O ATOM 799 CB ILE A 55 -5.154 -3.352 -2.562 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.336 -4.151 -3.116 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.645 -2.125 -1.808 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.179 -4.805 -2.043 1.00 0.00 C ATOM 0 H ILE A 55 -4.046 -4.992 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.772 -2.365 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.604 -3.986 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.967 -3.488 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.960 -4.920 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.313 -2.435 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.793 -1.592 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.182 -1.468 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.998 -5.354 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.562 -5.494 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.585 -4.039 -1.382 1.00 0.00 H new ATOM 814 N VAL A 56 -2.079 -2.707 -2.565 1.00 0.00 N ATOM 815 CA VAL A 56 -0.949 -1.991 -1.984 1.00 0.00 C ATOM 816 C VAL A 56 -0.064 -1.389 -3.070 1.00 0.00 C ATOM 817 O VAL A 56 0.122 -0.174 -3.130 1.00 0.00 O ATOM 818 CB VAL A 56 -0.096 -2.915 -1.095 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.162 -2.197 -0.631 1.00 0.00 C ATOM 820 CG2 VAL A 56 -0.908 -3.407 0.094 1.00 0.00 C ATOM 0 H VAL A 56 -2.016 -3.723 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.362 -1.190 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 56 0.205 -3.781 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.752 -2.865 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.751 -1.898 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.885 -1.312 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.290 -4.059 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.240 -2.554 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.776 -3.961 -0.263 1.00 0.00 H new ATOM 830 N ARG A 57 0.480 -2.248 -3.925 1.00 0.00 N ATOM 831 CA ARG A 57 1.347 -1.801 -5.009 1.00 0.00 C ATOM 832 C ARG A 57 0.725 -0.624 -5.753 1.00 0.00 C ATOM 833 O ARG A 57 1.425 0.290 -6.190 1.00 0.00 O ATOM 834 CB ARG A 57 1.616 -2.950 -5.983 1.00 0.00 C ATOM 835 CG ARG A 57 2.837 -3.781 -5.624 1.00 0.00 C ATOM 836 CD ARG A 57 3.070 -4.893 -6.634 1.00 0.00 C ATOM 837 NE ARG A 57 3.426 -4.371 -7.951 1.00 0.00 N ATOM 838 CZ ARG A 57 3.353 -5.085 -9.068 1.00 0.00 C ATOM 839 NH1 ARG A 57 2.939 -6.344 -9.029 1.00 0.00 N ATOM 840 NH2 ARG A 57 3.693 -4.540 -10.229 1.00 0.00 N ATOM 0 H ARG A 57 0.336 -3.257 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 57 2.291 -1.475 -4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.742 -3.600 -6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.747 -2.542 -6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.716 -3.138 -5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.707 -4.211 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.865 -5.547 -6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.170 -5.502 -6.717 1.00 0.00 H new ATOM 0 HE ARG A 57 3.748 -3.405 -8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.675 -6.767 -8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.884 -6.890 -9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.011 -3.571 -10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.636 -5.090 -11.086 1.00 0.00 H new ATOM 854 N THR A 58 -0.597 -0.652 -5.896 1.00 0.00 N ATOM 855 CA THR A 58 -1.314 0.410 -6.589 1.00 0.00 C ATOM 856 C THR A 58 -1.405 1.664 -5.727 1.00 0.00 C ATOM 857 O THR A 58 -1.248 2.781 -6.221 1.00 0.00 O ATOM 858 CB THR A 58 -2.736 -0.034 -6.981 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.678 -1.250 -7.734 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.433 1.043 -7.799 1.00 0.00 C ATOM 0 H THR A 58 -1.192 -1.400 -5.540 1.00 0.00 H new ATOM 0 HA THR A 58 -0.749 0.634 -7.494 1.00 0.00 H new ATOM 0 HB THR A 58 -3.307 -0.200 -6.067 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.314 -1.966 -7.172 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.435 0.707 -8.064 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.501 1.959 -7.212 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.863 1.236 -8.708 1.00 0.00 H new ATOM 868 N TRP A 59 -1.660 1.473 -4.438 1.00 0.00 N ATOM 869 CA TRP A 59 -1.772 2.590 -3.507 1.00 0.00 C ATOM 870 C TRP A 59 -0.509 3.445 -3.528 1.00 0.00 C ATOM 871 O TRP A 59 -0.578 4.671 -3.440 1.00 0.00 O ATOM 872 CB TRP A 59 -2.030 2.076 -2.089 1.00 0.00 C ATOM 873 CG TRP A 59 -1.949 3.148 -1.045 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.918 4.056 -0.726 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.839 3.423 -0.184 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.477 4.879 0.282 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.205 4.511 0.632 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.428 2.855 -0.022 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.348 5.042 1.593 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.277 3.383 0.932 1.00 0.00 C ATOM 881 CH2 TRP A 59 0.886 4.466 1.731 1.00 0.00 C ATOM 0 H TRP A 59 -1.793 0.555 -4.013 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.613 3.208 -3.821 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.017 1.616 -2.051 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.305 1.296 -1.856 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.888 4.118 -1.197 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.010 5.640 0.702 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.738 2.019 -0.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.647 5.878 2.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.259 2.954 1.064 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.572 4.854 2.470 1.00 0.00 H new ATOM 892 N ILE A 60 0.641 2.790 -3.646 1.00 0.00 N ATOM 893 CA ILE A 60 1.918 3.492 -3.680 1.00 0.00 C ATOM 894 C ILE A 60 2.002 4.423 -4.885 1.00 0.00 C ATOM 895 O ILE A 60 2.103 5.640 -4.737 1.00 0.00 O ATOM 896 CB ILE A 60 3.101 2.506 -3.723 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.067 1.581 -2.505 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.419 3.263 -3.784 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.035 0.423 -2.599 1.00 0.00 C ATOM 0 H ILE A 60 0.715 1.775 -3.720 1.00 0.00 H new ATOM 0 HA ILE A 60 1.979 4.081 -2.765 1.00 0.00 H new ATOM 0 HB ILE A 60 3.013 1.895 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.294 2.162 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.057 1.191 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.245 2.553 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.441 3.883 -4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.516 3.896 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.957 -0.191 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.795 -0.181 -3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.052 0.805 -2.689 1.00 0.00 H new ATOM 911 N GLY A 61 1.958 3.840 -6.080 1.00 0.00 N ATOM 912 CA GLY A 61 2.028 4.633 -7.294 1.00 0.00 C ATOM 913 C GLY A 61 1.118 5.843 -7.250 1.00 0.00 C ATOM 914 O GLY A 61 1.522 6.946 -7.615 1.00 0.00 O ATOM 0 H GLY A 61 1.875 2.834 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.056 4.961 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.758 4.010 -8.147 1.00 0.00 H new ATOM 918 N ASN A 62 -0.117 5.637 -6.802 1.00 0.00 N ATOM 919 CA ASN A 62 -1.089 6.721 -6.714 1.00 0.00 C ATOM 920 C ASN A 62 -0.610 7.803 -5.751 1.00 0.00 C ATOM 921 O ASN A 62 -0.696 8.995 -6.047 1.00 0.00 O ATOM 922 CB ASN A 62 -2.446 6.181 -6.259 1.00 0.00 C ATOM 923 CG ASN A 62 -3.237 5.571 -7.400 1.00 0.00 C ATOM 924 OD1 ASN A 62 -3.677 4.331 -7.218 1.00 0.00 O flip ATOM 925 ND2 ASN A 62 -3.450 6.207 -8.432 1.00 0.00 N flip ATOM 0 H ASN A 62 -0.468 4.730 -6.495 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.195 7.163 -7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.294 5.430 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.024 6.989 -5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.093 7.157 -8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.984 5.784 -9.191 1.00 0.00 H new ATOM 932 N ARG A 63 -0.106 7.380 -4.596 1.00 0.00 N ATOM 933 CA ARG A 63 0.385 8.312 -3.589 1.00 0.00 C ATOM 934 C ARG A 63 1.558 9.127 -4.128 1.00 0.00 C ATOM 935 O ARG A 63 1.531 10.357 -4.111 1.00 0.00 O ATOM 936 CB ARG A 63 0.812 7.557 -2.329 1.00 0.00 C ATOM 937 CG ARG A 63 -0.308 7.381 -1.316 1.00 0.00 C ATOM 938 CD ARG A 63 -0.601 8.678 -0.579 1.00 0.00 C ATOM 939 NE ARG A 63 -1.666 8.519 0.407 1.00 0.00 N ATOM 940 CZ ARG A 63 -1.924 9.407 1.361 1.00 0.00 C ATOM 941 NH1 ARG A 63 -1.198 10.512 1.456 1.00 0.00 N ATOM 942 NH2 ARG A 63 -2.911 9.190 2.222 1.00 0.00 N ATOM 0 H ARG A 63 -0.027 6.397 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.426 8.996 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.190 6.575 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.637 8.091 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.209 7.038 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.033 6.608 -0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.305 9.025 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.884 9.447 -1.298 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.244 7.680 0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.439 10.682 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.398 11.192 2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.472 8.341 2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.108 9.872 2.954 1.00 0.00 H new ATOM 956 N ARG A 64 2.585 8.431 -4.605 1.00 0.00 N ATOM 957 CA ARG A 64 3.767 9.090 -5.147 1.00 0.00 C ATOM 958 C ARG A 64 3.390 10.387 -5.857 1.00 0.00 C ATOM 959 O ARG A 64 4.005 11.430 -5.635 1.00 0.00 O ATOM 960 CB ARG A 64 4.496 8.158 -6.117 1.00 0.00 C ATOM 961 CG ARG A 64 5.044 6.903 -5.459 1.00 0.00 C ATOM 962 CD ARG A 64 5.959 6.134 -6.400 1.00 0.00 C ATOM 963 NE ARG A 64 7.117 6.927 -6.805 1.00 0.00 N ATOM 964 CZ ARG A 64 8.150 6.428 -7.476 1.00 0.00 C ATOM 965 NH1 ARG A 64 8.169 5.147 -7.814 1.00 0.00 N ATOM 966 NH2 ARG A 64 9.168 7.213 -7.808 1.00 0.00 N ATOM 0 H ARG A 64 2.622 7.412 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 64 4.431 9.331 -4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.811 7.870 -6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.318 8.702 -6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.593 7.174 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.218 6.263 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.298 5.221 -5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.399 5.832 -7.285 1.00 0.00 H new ATOM 0 HE ARG A 64 7.134 7.917 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.389 4.541 -7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.963 4.767 -8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.157 8.199 -7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.961 6.830 -8.323 1.00 0.00 H new