USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 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 41 THR OG1 : rot 180:sc= -1.55 USER MOD Set 1.2: A 44 GLN : amide:sc= -1.38 X(o=-2.9,f=-2.9) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.743 K(o=-11,f=-9) USER MOD Set 2.2: A 37 LYS NZ :NH3+ -158:sc= -0.189 (180deg=-0.824) USER MOD Set 2.3: A 38 CYS SG : rot 77:sc= -9.67! USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 1.02 USER MOD Set 3.2: A 31 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0) USER MOD Single : A 9 SER OG : rot 3:sc= 0.85 USER MOD Single : A 11 GLN : amide:sc= -0.659 K(o=-0.66,f=-0.0053) USER MOD Single : A 23 LYS NZ :NH3+ -128:sc= -0.926 (180deg=-2.17!) USER MOD Single : A 24 GLN : amide:sc= -0.0365 K(o=-0.037,f=-0.89) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.12 K(o=-2.1,f=-13!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc=-0.00839 X(o=-0.0084,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.561 -1.141 0.730 1.00 0.00 N ATOM 202 CA SER A 9 13.173 -2.466 0.681 1.00 0.00 C ATOM 203 C SER A 9 12.184 -3.479 0.094 1.00 0.00 C ATOM 204 O SER A 9 11.084 -3.100 -0.310 1.00 0.00 O ATOM 205 CB SER A 9 13.597 -2.881 2.094 1.00 0.00 C ATOM 206 OG SER A 9 13.436 -1.813 3.014 1.00 0.00 O ATOM 0 HA SER A 9 14.054 -2.439 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.003 -3.736 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.639 -3.202 2.084 1.00 0.00 H new ATOM 0 HG SER A 9 13.037 -1.044 2.556 1.00 0.00 H new ATOM 212 N PRO A 10 12.530 -4.781 0.044 1.00 0.00 N ATOM 213 CA PRO A 10 11.620 -5.798 -0.491 1.00 0.00 C ATOM 214 C PRO A 10 10.265 -5.734 0.200 1.00 0.00 C ATOM 215 O PRO A 10 9.251 -6.172 -0.343 1.00 0.00 O ATOM 216 CB PRO A 10 12.324 -7.129 -0.196 1.00 0.00 C ATOM 217 CG PRO A 10 13.393 -6.798 0.789 1.00 0.00 C ATOM 218 CD PRO A 10 13.791 -5.376 0.510 1.00 0.00 C ATOM 0 HA PRO A 10 11.421 -5.660 -1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.627 -7.861 0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.745 -7.561 -1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.029 -6.908 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.245 -7.470 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.170 -4.878 1.402 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.573 -5.314 -0.246 1.00 0.00 H new ATOM 226 N GLN A 11 10.260 -5.162 1.403 1.00 0.00 N ATOM 227 CA GLN A 11 9.041 -5.007 2.183 1.00 0.00 C ATOM 228 C GLN A 11 7.939 -4.379 1.344 1.00 0.00 C ATOM 229 O GLN A 11 6.764 -4.596 1.602 1.00 0.00 O ATOM 230 CB GLN A 11 9.313 -4.138 3.411 1.00 0.00 C ATOM 231 CG GLN A 11 10.335 -4.731 4.368 1.00 0.00 C ATOM 232 CD GLN A 11 10.633 -3.820 5.543 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.742 -4.273 6.682 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.766 -2.527 5.271 1.00 0.00 N ATOM 0 H GLN A 11 11.096 -4.797 1.859 1.00 0.00 H new ATOM 0 HA GLN A 11 8.712 -5.995 2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.662 -3.159 3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.377 -3.979 3.947 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.967 -5.688 4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.259 -4.933 3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.668 -2.195 4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.967 -1.866 6.021 1.00 0.00 H new ATOM 243 N ALA A 12 8.316 -3.605 0.329 1.00 0.00 N ATOM 244 CA ALA A 12 7.328 -2.971 -0.539 1.00 0.00 C ATOM 245 C ALA A 12 6.205 -3.952 -0.860 1.00 0.00 C ATOM 246 O ALA A 12 5.035 -3.707 -0.558 1.00 0.00 O ATOM 247 CB ALA A 12 7.985 -2.478 -1.819 1.00 0.00 C ATOM 0 H ALA A 12 9.287 -3.403 0.089 1.00 0.00 H new ATOM 0 HA ALA A 12 6.904 -2.113 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.235 -2.008 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.760 -1.752 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.432 -3.321 -2.347 1.00 0.00 H new ATOM 253 N ARG A 13 6.584 -5.078 -1.451 1.00 0.00 N ATOM 254 CA ARG A 13 5.633 -6.124 -1.797 1.00 0.00 C ATOM 255 C ARG A 13 5.325 -6.998 -0.585 1.00 0.00 C ATOM 256 O ARG A 13 4.191 -7.431 -0.394 1.00 0.00 O ATOM 257 CB ARG A 13 6.193 -6.989 -2.927 1.00 0.00 C ATOM 258 CG ARG A 13 7.406 -7.808 -2.513 1.00 0.00 C ATOM 259 CD ARG A 13 8.406 -7.951 -3.649 1.00 0.00 C ATOM 260 NE ARG A 13 8.631 -9.350 -4.008 1.00 0.00 N ATOM 261 CZ ARG A 13 9.270 -10.222 -3.230 1.00 0.00 C ATOM 262 NH1 ARG A 13 9.746 -9.844 -2.050 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.433 -11.474 -3.633 1.00 0.00 N ATOM 0 H ARG A 13 7.550 -5.290 -1.702 1.00 0.00 H new ATOM 0 HA ARG A 13 4.709 -5.650 -2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.412 -7.662 -3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.465 -6.348 -3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.891 -7.333 -1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.083 -8.797 -2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.044 -7.407 -4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.352 -7.495 -3.359 1.00 0.00 H new ATOM 0 HE ARG A 13 8.278 -9.678 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.623 -8.882 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.235 -10.516 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.069 -11.770 -4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.922 -12.142 -3.037 1.00 0.00 H new ATOM 277 N ALA A 14 6.348 -7.257 0.230 1.00 0.00 N ATOM 278 CA ALA A 14 6.187 -8.084 1.420 1.00 0.00 C ATOM 279 C ALA A 14 5.190 -7.457 2.384 1.00 0.00 C ATOM 280 O ALA A 14 4.193 -8.077 2.756 1.00 0.00 O ATOM 281 CB ALA A 14 7.531 -8.292 2.102 1.00 0.00 C ATOM 0 H ALA A 14 7.295 -6.905 0.086 1.00 0.00 H new ATOM 0 HA ALA A 14 5.797 -9.055 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.397 -8.911 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.215 -8.788 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.945 -7.326 2.393 1.00 0.00 H new ATOM 287 N PHE A 15 5.457 -6.217 2.774 1.00 0.00 N ATOM 288 CA PHE A 15 4.583 -5.492 3.676 1.00 0.00 C ATOM 289 C PHE A 15 3.161 -5.507 3.134 1.00 0.00 C ATOM 290 O PHE A 15 2.220 -5.838 3.849 1.00 0.00 O ATOM 291 CB PHE A 15 5.102 -4.052 3.894 1.00 0.00 C ATOM 292 CG PHE A 15 4.533 -2.999 2.966 1.00 0.00 C ATOM 293 CD1 PHE A 15 3.186 -2.672 3.000 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.352 -2.333 2.066 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.669 -1.710 2.153 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.839 -1.369 1.218 1.00 0.00 C ATOM 297 CZ PHE A 15 3.496 -1.058 1.262 1.00 0.00 C ATOM 0 H PHE A 15 6.279 -5.693 2.475 1.00 0.00 H new ATOM 0 HA PHE A 15 4.578 -5.982 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.885 -3.759 4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.187 -4.057 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.533 -3.175 3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.405 -2.571 2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.617 -1.469 2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.489 -0.860 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.093 -0.306 0.600 1.00 0.00 H new ATOM 307 N LEU A 16 3.018 -5.173 1.856 1.00 0.00 N ATOM 308 CA LEU A 16 1.711 -5.173 1.217 1.00 0.00 C ATOM 309 C LEU A 16 1.177 -6.594 1.113 1.00 0.00 C ATOM 310 O LEU A 16 -0.032 -6.821 1.153 1.00 0.00 O ATOM 311 CB LEU A 16 1.791 -4.538 -0.168 1.00 0.00 C ATOM 312 CG LEU A 16 0.537 -3.786 -0.609 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.706 -4.639 -0.405 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.424 -2.479 0.157 1.00 0.00 C ATOM 0 H LEU A 16 3.789 -4.900 1.246 1.00 0.00 H new ATOM 0 HA LEU A 16 1.028 -4.583 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.635 -3.848 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.002 -5.320 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 16 0.618 -3.565 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.586 -4.082 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.621 -5.553 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.803 -4.894 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.472 -1.947 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.362 -2.687 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.301 -1.864 -0.042 1.00 0.00 H new ATOM 326 N GLU A 17 2.092 -7.552 0.996 1.00 0.00 N ATOM 327 CA GLU A 17 1.717 -8.956 0.908 1.00 0.00 C ATOM 328 C GLU A 17 0.866 -9.332 2.110 1.00 0.00 C ATOM 329 O GLU A 17 -0.319 -9.637 1.975 1.00 0.00 O ATOM 330 CB GLU A 17 2.969 -9.838 0.844 1.00 0.00 C ATOM 331 CG GLU A 17 3.063 -10.670 -0.425 1.00 0.00 C ATOM 332 CD GLU A 17 3.245 -9.820 -1.667 1.00 0.00 C ATOM 333 OE1 GLU A 17 2.226 -9.425 -2.272 1.00 0.00 O ATOM 334 OE2 GLU A 17 4.407 -9.550 -2.035 1.00 0.00 O ATOM 0 H GLU A 17 3.097 -7.380 0.960 1.00 0.00 H new ATOM 0 HA GLU A 17 1.139 -9.115 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.853 -9.205 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.979 -10.504 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.899 -11.364 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.159 -11.270 -0.529 1.00 0.00 H new ATOM 341 N GLN A 18 1.475 -9.283 3.287 1.00 0.00 N ATOM 342 CA GLN A 18 0.777 -9.594 4.525 1.00 0.00 C ATOM 343 C GLN A 18 -0.411 -8.652 4.717 1.00 0.00 C ATOM 344 O GLN A 18 -1.414 -9.018 5.330 1.00 0.00 O ATOM 345 CB GLN A 18 1.734 -9.497 5.718 1.00 0.00 C ATOM 346 CG GLN A 18 2.703 -8.323 5.643 1.00 0.00 C ATOM 347 CD GLN A 18 2.556 -7.368 6.811 1.00 0.00 C ATOM 348 OE1 GLN A 18 3.546 -6.880 7.357 1.00 0.00 O ATOM 349 NE2 GLN A 18 1.316 -7.094 7.201 1.00 0.00 N ATOM 0 H GLN A 18 2.455 -9.030 3.410 1.00 0.00 H new ATOM 0 HA GLN A 18 0.403 -10.616 4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.149 -9.414 6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.306 -10.422 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.725 -8.702 5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.539 -7.780 4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.524 -7.521 6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.156 -6.457 7.981 1.00 0.00 H new ATOM 358 N VAL A 19 -0.294 -7.441 4.173 1.00 0.00 N ATOM 359 CA VAL A 19 -1.362 -6.448 4.268 1.00 0.00 C ATOM 360 C VAL A 19 -2.621 -6.954 3.568 1.00 0.00 C ATOM 361 O VAL A 19 -3.670 -7.110 4.192 1.00 0.00 O ATOM 362 CB VAL A 19 -0.920 -5.102 3.644 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.094 -4.157 3.443 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.141 -4.442 4.506 1.00 0.00 C ATOM 0 H VAL A 19 0.530 -7.125 3.662 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.580 -6.287 5.324 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.500 -5.321 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.740 -3.225 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.823 -4.619 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.563 -3.949 4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.441 -3.497 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.263 -4.256 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.008 -5.099 4.583 1.00 0.00 H new ATOM 374 N PHE A 20 -2.503 -7.220 2.272 1.00 0.00 N ATOM 375 CA PHE A 20 -3.626 -7.724 1.489 1.00 0.00 C ATOM 376 C PHE A 20 -3.982 -9.151 1.905 1.00 0.00 C ATOM 377 O PHE A 20 -5.036 -9.667 1.540 1.00 0.00 O ATOM 378 CB PHE A 20 -3.288 -7.679 -0.004 1.00 0.00 C ATOM 379 CG PHE A 20 -4.312 -8.339 -0.885 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.294 -9.711 -1.081 1.00 0.00 C ATOM 381 CD2 PHE A 20 -5.291 -7.589 -1.518 1.00 0.00 C ATOM 382 CE1 PHE A 20 -5.231 -10.323 -1.890 1.00 0.00 C ATOM 383 CE2 PHE A 20 -6.231 -8.196 -2.329 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.201 -9.564 -2.516 1.00 0.00 C ATOM 0 H PHE A 20 -1.641 -7.095 1.741 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.490 -7.087 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.178 -6.638 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.323 -8.161 -0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.537 -10.309 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.319 -6.519 -1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.206 -11.393 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.989 -7.601 -2.816 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.934 -10.040 -3.150 1.00 0.00 H new ATOM 394 N ARG A 21 -3.095 -9.783 2.670 1.00 0.00 N ATOM 395 CA ARG A 21 -3.320 -11.146 3.132 1.00 0.00 C ATOM 396 C ARG A 21 -4.185 -11.159 4.388 1.00 0.00 C ATOM 397 O ARG A 21 -4.998 -12.062 4.583 1.00 0.00 O ATOM 398 CB ARG A 21 -1.985 -11.830 3.420 1.00 0.00 C ATOM 399 CG ARG A 21 -1.900 -13.248 2.884 1.00 0.00 C ATOM 400 CD ARG A 21 -1.179 -13.291 1.547 1.00 0.00 C ATOM 401 NE ARG A 21 -1.129 -14.645 0.996 1.00 0.00 N ATOM 402 CZ ARG A 21 -0.772 -14.924 -0.255 1.00 0.00 C ATOM 403 NH1 ARG A 21 -0.424 -13.950 -1.087 1.00 0.00 N ATOM 404 NH2 ARG A 21 -0.761 -16.181 -0.675 1.00 0.00 N ATOM 0 H ARG A 21 -2.215 -9.372 2.982 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.843 -11.689 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.181 -11.237 2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.820 -11.847 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.377 -13.880 3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.904 -13.657 2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.683 -12.631 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.165 -12.912 1.670 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.383 -15.421 1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.429 -12.981 -0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.151 -14.171 -2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.026 -16.933 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.487 -16.396 -1.634 1.00 0.00 H new ATOM 418 N ARG A 22 -4.005 -10.150 5.234 1.00 0.00 N ATOM 419 CA ARG A 22 -4.770 -10.046 6.470 1.00 0.00 C ATOM 420 C ARG A 22 -6.260 -9.975 6.165 1.00 0.00 C ATOM 421 O ARG A 22 -7.081 -10.577 6.856 1.00 0.00 O ATOM 422 CB ARG A 22 -4.336 -8.810 7.255 1.00 0.00 C ATOM 423 CG ARG A 22 -3.068 -9.021 8.066 1.00 0.00 C ATOM 424 CD ARG A 22 -2.563 -7.717 8.663 1.00 0.00 C ATOM 425 NE ARG A 22 -3.304 -7.342 9.863 1.00 0.00 N ATOM 426 CZ ARG A 22 -3.151 -7.935 11.045 1.00 0.00 C ATOM 427 NH1 ARG A 22 -2.286 -8.931 11.189 1.00 0.00 N ATOM 428 NH2 ARG A 22 -3.864 -7.529 12.088 1.00 0.00 N ATOM 0 H ARG A 22 -3.337 -9.394 5.086 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.578 -10.933 7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.180 -7.984 6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.142 -8.514 7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.261 -9.737 8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.296 -9.454 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.505 -7.815 8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.647 -6.922 7.922 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.979 -6.581 9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.734 -9.246 10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.173 -9.381 12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.529 -6.763 11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.747 -7.983 12.994 1.00 0.00 H new ATOM 442 N LYS A 23 -6.593 -9.243 5.110 1.00 0.00 N ATOM 443 CA LYS A 23 -7.981 -9.096 4.684 1.00 0.00 C ATOM 444 C LYS A 23 -8.046 -8.679 3.214 1.00 0.00 C ATOM 445 O LYS A 23 -7.218 -9.108 2.413 1.00 0.00 O ATOM 446 CB LYS A 23 -8.730 -8.104 5.581 1.00 0.00 C ATOM 447 CG LYS A 23 -8.300 -6.658 5.410 1.00 0.00 C ATOM 448 CD LYS A 23 -9.316 -5.689 6.006 1.00 0.00 C ATOM 449 CE LYS A 23 -10.747 -6.018 5.600 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.394 -6.960 6.555 1.00 0.00 N ATOM 0 H LYS A 23 -5.920 -8.740 4.531 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.476 -10.062 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.798 -8.180 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.585 -8.393 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.332 -6.508 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.170 -6.441 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.237 -5.709 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.076 -4.675 5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.330 -5.098 5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.749 -6.455 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.795 -7.764 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.686 -7.307 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.153 -6.468 7.067 1.00 0.00 H new ATOM 464 N GLN A 24 -9.032 -7.862 2.850 1.00 0.00 N ATOM 465 CA GLN A 24 -9.177 -7.434 1.464 1.00 0.00 C ATOM 466 C GLN A 24 -9.611 -5.980 1.370 1.00 0.00 C ATOM 467 O GLN A 24 -9.029 -5.190 0.627 1.00 0.00 O ATOM 468 CB GLN A 24 -10.205 -8.308 0.728 1.00 0.00 C ATOM 469 CG GLN A 24 -10.526 -9.627 1.419 1.00 0.00 C ATOM 470 CD GLN A 24 -10.752 -10.759 0.437 1.00 0.00 C ATOM 471 OE1 GLN A 24 -11.065 -10.529 -0.731 1.00 0.00 O ATOM 472 NE2 GLN A 24 -10.595 -11.990 0.908 1.00 0.00 N ATOM 0 H GLN A 24 -9.734 -7.488 3.488 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.199 -7.542 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.128 -7.740 0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.832 -8.519 -0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.708 -9.890 2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.416 -9.503 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.335 -12.133 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.735 -12.793 0.294 1.00 0.00 H new ATOM 481 N SER A 25 -10.662 -5.647 2.101 1.00 0.00 N ATOM 482 CA SER A 25 -11.211 -4.297 2.075 1.00 0.00 C ATOM 483 C SER A 25 -10.682 -3.424 3.208 1.00 0.00 C ATOM 484 O SER A 25 -11.355 -3.231 4.221 1.00 0.00 O ATOM 485 CB SER A 25 -12.735 -4.364 2.141 1.00 0.00 C ATOM 486 OG SER A 25 -13.314 -3.092 1.903 1.00 0.00 O ATOM 0 H SER A 25 -11.154 -6.291 2.720 1.00 0.00 H new ATOM 0 HA SER A 25 -10.892 -3.835 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.103 -5.078 1.404 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.044 -4.730 3.120 1.00 0.00 H new ATOM 0 HG SER A 25 -14.290 -3.163 1.949 1.00 0.00 H new ATOM 492 N LEU A 26 -9.485 -2.875 3.021 1.00 0.00 N ATOM 493 CA LEU A 26 -8.890 -1.995 4.020 1.00 0.00 C ATOM 494 C LEU A 26 -9.601 -0.643 4.010 1.00 0.00 C ATOM 495 O LEU A 26 -9.572 0.071 3.008 1.00 0.00 O ATOM 496 CB LEU A 26 -7.393 -1.786 3.752 1.00 0.00 C ATOM 497 CG LEU A 26 -6.555 -3.058 3.565 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.116 -2.816 3.996 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.142 -4.221 4.343 1.00 0.00 C ATOM 0 H LEU A 26 -8.911 -3.023 2.191 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.005 -2.466 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.287 -1.171 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.972 -1.217 4.581 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.570 -3.314 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.536 -3.728 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.685 -2.017 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.094 -2.529 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.527 -5.108 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.166 -3.974 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.155 -4.418 3.993 1.00 0.00 H new ATOM 511 N ASN A 27 -10.238 -0.296 5.122 1.00 0.00 N ATOM 512 CA ASN A 27 -10.955 0.972 5.220 1.00 0.00 C ATOM 513 C ASN A 27 -10.063 2.056 5.817 1.00 0.00 C ATOM 514 O ASN A 27 -8.934 1.787 6.218 1.00 0.00 O ATOM 515 CB ASN A 27 -12.232 0.804 6.053 1.00 0.00 C ATOM 516 CG ASN A 27 -11.970 0.786 7.548 1.00 0.00 C ATOM 517 OD1 ASN A 27 -11.979 1.828 8.203 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.736 -0.401 8.096 1.00 0.00 N ATOM 0 H ASN A 27 -10.274 -0.870 5.964 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.237 1.282 4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.920 1.617 5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.727 -0.124 5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.554 -0.474 9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.738 -1.240 7.516 1.00 0.00 H new ATOM 525 N SER A 28 -10.578 3.283 5.875 1.00 0.00 N ATOM 526 CA SER A 28 -9.826 4.411 6.426 1.00 0.00 C ATOM 527 C SER A 28 -9.128 4.024 7.727 1.00 0.00 C ATOM 528 O SER A 28 -8.069 4.556 8.061 1.00 0.00 O ATOM 529 CB SER A 28 -10.757 5.600 6.670 1.00 0.00 C ATOM 530 OG SER A 28 -10.927 6.365 5.489 1.00 0.00 O ATOM 0 H SER A 28 -11.514 3.522 5.547 1.00 0.00 H new ATOM 0 HA SER A 28 -9.065 4.694 5.699 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.726 5.242 7.018 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.348 6.230 7.460 1.00 0.00 H new ATOM 0 HG SER A 28 -11.527 7.118 5.671 1.00 0.00 H new ATOM 536 N LYS A 29 -9.730 3.089 8.452 1.00 0.00 N ATOM 537 CA LYS A 29 -9.176 2.618 9.710 1.00 0.00 C ATOM 538 C LYS A 29 -8.033 1.644 9.465 1.00 0.00 C ATOM 539 O LYS A 29 -6.958 1.775 10.045 1.00 0.00 O ATOM 540 CB LYS A 29 -10.269 1.936 10.529 1.00 0.00 C ATOM 541 CG LYS A 29 -11.360 2.883 11.005 1.00 0.00 C ATOM 542 CD LYS A 29 -10.779 4.090 11.727 1.00 0.00 C ATOM 543 CE LYS A 29 -10.912 5.355 10.894 1.00 0.00 C ATOM 544 NZ LYS A 29 -10.820 6.583 11.731 1.00 0.00 N ATOM 0 H LYS A 29 -10.607 2.641 8.186 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.787 3.475 10.261 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.722 1.147 9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.815 1.455 11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.950 3.218 10.152 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.038 2.351 11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.290 4.226 12.680 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.728 3.910 11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.130 5.374 10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.867 5.345 10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.915 7.423 11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.581 6.578 12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.899 6.606 12.213 1.00 0.00 H new ATOM 558 N GLU A 30 -8.272 0.674 8.595 1.00 0.00 N ATOM 559 CA GLU A 30 -7.264 -0.317 8.265 1.00 0.00 C ATOM 560 C GLU A 30 -6.165 0.318 7.439 1.00 0.00 C ATOM 561 O GLU A 30 -4.999 0.012 7.607 1.00 0.00 O ATOM 562 CB GLU A 30 -7.883 -1.484 7.498 1.00 0.00 C ATOM 563 CG GLU A 30 -9.030 -2.155 8.237 1.00 0.00 C ATOM 564 CD GLU A 30 -8.842 -3.653 8.387 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.710 -4.136 8.173 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.828 -4.342 8.722 1.00 0.00 O ATOM 0 H GLU A 30 -9.158 0.554 8.105 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.841 -0.700 9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.243 -1.125 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.110 -2.225 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.130 -1.706 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.961 -1.963 7.703 1.00 0.00 H new ATOM 573 N LYS A 31 -6.545 1.218 6.551 1.00 0.00 N ATOM 574 CA LYS A 31 -5.577 1.900 5.716 1.00 0.00 C ATOM 575 C LYS A 31 -4.601 2.684 6.586 1.00 0.00 C ATOM 576 O LYS A 31 -3.424 2.802 6.263 1.00 0.00 O ATOM 577 CB LYS A 31 -6.302 2.820 4.734 1.00 0.00 C ATOM 578 CG LYS A 31 -6.494 4.236 5.243 1.00 0.00 C ATOM 579 CD LYS A 31 -7.145 5.117 4.196 1.00 0.00 C ATOM 580 CE LYS A 31 -7.593 6.446 4.783 1.00 0.00 C ATOM 581 NZ LYS A 31 -8.804 6.977 4.098 1.00 0.00 N ATOM 0 H LYS A 31 -7.514 1.492 6.390 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.007 1.168 5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.740 2.853 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.278 2.392 4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.110 4.221 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.529 4.657 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.442 5.296 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.004 4.600 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.803 6.321 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.783 7.170 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.891 7.996 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.719 6.821 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.648 6.485 4.454 1.00 0.00 H new ATOM 595 N GLU A 32 -5.104 3.208 7.699 1.00 0.00 N ATOM 596 CA GLU A 32 -4.279 3.973 8.626 1.00 0.00 C ATOM 597 C GLU A 32 -3.653 3.049 9.669 1.00 0.00 C ATOM 598 O GLU A 32 -2.510 3.242 10.083 1.00 0.00 O ATOM 599 CB GLU A 32 -5.120 5.058 9.309 1.00 0.00 C ATOM 600 CG GLU A 32 -6.085 4.526 10.358 1.00 0.00 C ATOM 601 CD GLU A 32 -6.709 5.629 11.190 1.00 0.00 C ATOM 602 OE1 GLU A 32 -7.558 6.371 10.652 1.00 0.00 O ATOM 603 OE2 GLU A 32 -6.346 5.754 12.378 1.00 0.00 O ATOM 0 H GLU A 32 -6.080 3.116 7.981 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.477 4.453 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.451 5.780 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.687 5.596 8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.874 3.957 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.557 3.835 11.015 1.00 0.00 H new ATOM 610 N GLU A 33 -4.415 2.042 10.079 1.00 0.00 N ATOM 611 CA GLU A 33 -3.955 1.074 11.066 1.00 0.00 C ATOM 612 C GLU A 33 -2.951 0.112 10.442 1.00 0.00 C ATOM 613 O GLU A 33 -1.991 -0.310 11.085 1.00 0.00 O ATOM 614 CB GLU A 33 -5.151 0.297 11.616 1.00 0.00 C ATOM 615 CG GLU A 33 -6.069 1.135 12.489 1.00 0.00 C ATOM 616 CD GLU A 33 -5.793 0.954 13.969 1.00 0.00 C ATOM 617 OE1 GLU A 33 -5.673 -0.208 14.412 1.00 0.00 O ATOM 618 OE2 GLU A 33 -5.698 1.972 14.686 1.00 0.00 O ATOM 0 H GLU A 33 -5.362 1.874 9.739 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.463 1.606 11.880 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.725 -0.108 10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.787 -0.552 12.195 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.952 2.187 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.105 0.868 12.281 1.00 0.00 H new ATOM 625 N VAL A 34 -3.187 -0.219 9.179 1.00 0.00 N ATOM 626 CA VAL A 34 -2.320 -1.120 8.431 1.00 0.00 C ATOM 627 C VAL A 34 -1.074 -0.378 7.966 1.00 0.00 C ATOM 628 O VAL A 34 0.026 -0.932 7.956 1.00 0.00 O ATOM 629 CB VAL A 34 -3.061 -1.719 7.208 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.129 -2.548 6.335 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.241 -2.562 7.670 1.00 0.00 C ATOM 0 H VAL A 34 -3.983 0.129 8.645 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.030 -1.938 9.091 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.428 -0.890 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.686 -2.951 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.317 -1.919 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.716 -3.369 6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.753 -2.977 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.883 -3.374 8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.933 -1.939 8.237 1.00 0.00 H new ATOM 641 N ALA A 35 -1.258 0.879 7.579 1.00 0.00 N ATOM 642 CA ALA A 35 -0.151 1.703 7.108 1.00 0.00 C ATOM 643 C ALA A 35 0.872 1.974 8.210 1.00 0.00 C ATOM 644 O ALA A 35 2.059 2.144 7.937 1.00 0.00 O ATOM 645 CB ALA A 35 -0.668 3.015 6.551 1.00 0.00 C ATOM 0 H ALA A 35 -2.163 1.350 7.582 1.00 0.00 H new ATOM 0 HA ALA A 35 0.352 1.145 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.171 3.618 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.342 2.816 5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.205 3.555 7.331 1.00 0.00 H new ATOM 651 N LYS A 36 0.403 2.039 9.451 1.00 0.00 N ATOM 652 CA LYS A 36 1.281 2.319 10.584 1.00 0.00 C ATOM 653 C LYS A 36 1.913 1.051 11.157 1.00 0.00 C ATOM 654 O LYS A 36 2.921 1.121 11.861 1.00 0.00 O ATOM 655 CB LYS A 36 0.501 3.048 11.677 1.00 0.00 C ATOM 656 CG LYS A 36 -0.559 2.189 12.346 1.00 0.00 C ATOM 657 CD LYS A 36 -1.320 2.968 13.407 1.00 0.00 C ATOM 658 CE LYS A 36 -0.741 2.734 14.793 1.00 0.00 C ATOM 659 NZ LYS A 36 -1.158 3.791 15.754 1.00 0.00 N ATOM 0 H LYS A 36 -0.577 1.902 9.699 1.00 0.00 H new ATOM 0 HA LYS A 36 2.091 2.951 10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.200 3.403 12.434 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.024 3.928 11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.257 1.819 11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.089 1.317 12.801 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.287 4.032 13.173 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.369 2.672 13.395 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.064 1.760 15.162 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.347 2.707 14.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.743 3.595 16.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.828 4.717 15.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.195 3.800 15.832 1.00 0.00 H new ATOM 673 N LYS A 37 1.320 -0.102 10.872 1.00 0.00 N ATOM 674 CA LYS A 37 1.841 -1.367 11.386 1.00 0.00 C ATOM 675 C LYS A 37 2.547 -2.167 10.296 1.00 0.00 C ATOM 676 O LYS A 37 3.390 -3.015 10.588 1.00 0.00 O ATOM 677 CB LYS A 37 0.710 -2.200 11.993 1.00 0.00 C ATOM 678 CG LYS A 37 -0.264 -2.753 10.964 1.00 0.00 C ATOM 679 CD LYS A 37 -1.388 -3.535 11.623 1.00 0.00 C ATOM 680 CE LYS A 37 -0.907 -4.891 12.114 1.00 0.00 C ATOM 681 NZ LYS A 37 -0.263 -5.680 11.028 1.00 0.00 N ATOM 0 H LYS A 37 0.485 -0.190 10.293 1.00 0.00 H new ATOM 0 HA LYS A 37 2.572 -1.132 12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.142 -3.029 12.553 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.161 -1.585 12.706 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.683 -1.933 10.381 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.270 -3.399 10.267 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.788 -2.964 12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.203 -3.672 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.198 -4.751 12.930 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.751 -5.451 12.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.287 -6.691 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.776 -5.527 10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.725 -5.374 10.916 1.00 0.00 H new ATOM 695 N CYS A 38 2.194 -1.904 9.044 1.00 0.00 N ATOM 696 CA CYS A 38 2.793 -2.617 7.924 1.00 0.00 C ATOM 697 C CYS A 38 3.893 -1.793 7.261 1.00 0.00 C ATOM 698 O CYS A 38 4.813 -2.347 6.658 1.00 0.00 O ATOM 699 CB CYS A 38 1.718 -2.993 6.908 1.00 0.00 C ATOM 700 SG CYS A 38 0.366 -3.966 7.615 1.00 0.00 S ATOM 0 H CYS A 38 1.499 -1.206 8.780 1.00 0.00 H new ATOM 0 HA CYS A 38 3.252 -3.528 8.309 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.309 -2.083 6.470 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.177 -3.559 6.097 1.00 0.00 H new ATOM 0 HG CYS A 38 -0.422 -3.185 8.292 1.00 0.00 H new ATOM 706 N GLY A 39 3.810 -0.471 7.386 1.00 0.00 N ATOM 707 CA GLY A 39 4.827 0.386 6.801 1.00 0.00 C ATOM 708 C GLY A 39 4.320 1.228 5.647 1.00 0.00 C ATOM 709 O GLY A 39 5.095 1.618 4.774 1.00 0.00 O ATOM 0 H GLY A 39 3.063 0.019 7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.224 1.045 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.655 -0.232 6.453 1.00 0.00 H new ATOM 713 N ILE A 40 3.028 1.527 5.647 1.00 0.00 N ATOM 714 CA ILE A 40 2.442 2.347 4.596 1.00 0.00 C ATOM 715 C ILE A 40 1.926 3.659 5.186 1.00 0.00 C ATOM 716 O ILE A 40 2.288 4.023 6.304 1.00 0.00 O ATOM 717 CB ILE A 40 1.292 1.619 3.857 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.171 0.162 4.308 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.510 1.676 2.351 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.084 -0.512 3.798 1.00 0.00 C ATOM 0 H ILE A 40 2.368 1.215 6.360 1.00 0.00 H new ATOM 0 HA ILE A 40 3.226 2.549 3.866 1.00 0.00 H new ATOM 0 HB ILE A 40 0.363 2.131 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.042 -0.394 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.181 0.122 5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.694 1.160 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.538 2.716 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.454 1.192 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.113 -1.543 4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.960 0.022 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.085 -0.502 2.708 1.00 0.00 H new ATOM 732 N THR A 41 1.088 4.368 4.439 1.00 0.00 N ATOM 733 CA THR A 41 0.544 5.637 4.914 1.00 0.00 C ATOM 734 C THR A 41 -0.841 5.898 4.324 1.00 0.00 C ATOM 735 O THR A 41 -1.204 5.329 3.295 1.00 0.00 O ATOM 736 CB THR A 41 1.494 6.785 4.564 1.00 0.00 C ATOM 737 OG1 THR A 41 2.717 6.287 4.048 1.00 0.00 O ATOM 738 CG2 THR A 41 1.826 7.669 5.746 1.00 0.00 C ATOM 0 H THR A 41 0.772 4.090 3.510 1.00 0.00 H new ATOM 0 HA THR A 41 0.444 5.577 5.998 1.00 0.00 H new ATOM 0 HB THR A 41 0.963 7.380 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.309 7.037 3.829 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.503 8.462 5.428 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.910 8.110 6.139 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.304 7.073 6.523 1.00 0.00 H new ATOM 746 N PRO A 42 -1.634 6.771 4.973 1.00 0.00 N ATOM 747 CA PRO A 42 -2.984 7.109 4.506 1.00 0.00 C ATOM 748 C PRO A 42 -3.003 7.516 3.038 1.00 0.00 C ATOM 749 O PRO A 42 -4.026 7.397 2.366 1.00 0.00 O ATOM 750 CB PRO A 42 -3.382 8.289 5.396 1.00 0.00 C ATOM 751 CG PRO A 42 -2.582 8.110 6.638 1.00 0.00 C ATOM 752 CD PRO A 42 -1.278 7.498 6.206 1.00 0.00 C ATOM 0 HA PRO A 42 -3.664 6.260 4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.159 9.241 4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.451 8.282 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.418 9.065 7.138 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.101 7.464 7.347 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.519 8.258 6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.877 6.828 6.966 1.00 0.00 H new ATOM 760 N LEU A 43 -1.864 7.992 2.547 1.00 0.00 N ATOM 761 CA LEU A 43 -1.743 8.410 1.160 1.00 0.00 C ATOM 762 C LEU A 43 -1.308 7.231 0.290 1.00 0.00 C ATOM 763 O LEU A 43 -1.679 7.136 -0.884 1.00 0.00 O ATOM 764 CB LEU A 43 -0.746 9.574 1.055 1.00 0.00 C ATOM 765 CG LEU A 43 0.346 9.430 -0.011 1.00 0.00 C ATOM 766 CD1 LEU A 43 -0.269 9.418 -1.401 1.00 0.00 C ATOM 767 CD2 LEU A 43 1.364 10.553 0.115 1.00 0.00 C ATOM 0 H LEU A 43 -1.009 8.097 3.094 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.712 8.753 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.305 10.488 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.265 9.703 2.025 1.00 0.00 H new ATOM 0 HG LEU A 43 0.861 8.482 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.519 9.315 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.960 8.580 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.808 10.351 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.132 10.435 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.865 11.513 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.826 10.517 1.102 1.00 0.00 H new ATOM 779 N GLN A 44 -0.532 6.326 0.875 1.00 0.00 N ATOM 780 CA GLN A 44 -0.067 5.156 0.150 1.00 0.00 C ATOM 781 C GLN A 44 -1.167 4.113 0.098 1.00 0.00 C ATOM 782 O GLN A 44 -1.597 3.708 -0.969 1.00 0.00 O ATOM 783 CB GLN A 44 1.184 4.560 0.797 1.00 0.00 C ATOM 784 CG GLN A 44 2.118 5.595 1.406 1.00 0.00 C ATOM 785 CD GLN A 44 2.664 6.565 0.377 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.790 6.233 -0.802 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.992 7.774 0.818 1.00 0.00 N ATOM 0 H GLN A 44 -0.215 6.381 1.843 1.00 0.00 H new ATOM 0 HA GLN A 44 0.192 5.466 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.880 3.858 1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.731 3.988 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.585 6.151 2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.948 5.086 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.871 8.007 1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.364 8.469 0.171 1.00 0.00 H new ATOM 796 N VAL A 45 -1.628 3.694 1.267 1.00 0.00 N ATOM 797 CA VAL A 45 -2.687 2.696 1.369 1.00 0.00 C ATOM 798 C VAL A 45 -3.713 2.833 0.246 1.00 0.00 C ATOM 799 O VAL A 45 -4.125 1.842 -0.348 1.00 0.00 O ATOM 800 CB VAL A 45 -3.398 2.814 2.720 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.443 2.433 3.833 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.923 4.225 2.924 1.00 0.00 C ATOM 0 H VAL A 45 -1.283 4.032 2.166 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.215 1.717 1.280 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.249 2.132 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.951 2.518 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.108 1.406 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.582 3.101 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.425 4.290 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.092 4.930 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.629 4.469 2.130 1.00 0.00 H new ATOM 812 N ARG A 46 -4.110 4.059 -0.059 1.00 0.00 N ATOM 813 CA ARG A 46 -5.074 4.287 -1.124 1.00 0.00 C ATOM 814 C ARG A 46 -4.453 4.003 -2.493 1.00 0.00 C ATOM 815 O ARG A 46 -4.931 3.142 -3.229 1.00 0.00 O ATOM 816 CB ARG A 46 -5.626 5.715 -1.075 1.00 0.00 C ATOM 817 CG ARG A 46 -4.612 6.766 -0.651 1.00 0.00 C ATOM 818 CD ARG A 46 -4.698 8.013 -1.518 1.00 0.00 C ATOM 819 NE ARG A 46 -6.081 8.381 -1.817 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.930 8.876 -0.918 1.00 0.00 C ATOM 821 NH1 ARG A 46 -6.539 9.076 0.334 1.00 0.00 N ATOM 822 NH2 ARG A 46 -8.172 9.173 -1.274 1.00 0.00 N ATOM 0 H ARG A 46 -3.783 4.904 0.411 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.903 3.596 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.012 5.976 -2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.469 5.742 -0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.781 7.035 0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.607 6.348 -0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.205 8.842 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.159 7.844 -2.450 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.416 8.251 -2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.584 8.850 0.612 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.193 9.455 1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.477 9.022 -2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.823 9.552 -0.586 1.00 0.00 H new ATOM 836 N VAL A 47 -3.385 4.725 -2.832 1.00 0.00 N ATOM 837 CA VAL A 47 -2.714 4.532 -4.118 1.00 0.00 C ATOM 838 C VAL A 47 -2.080 3.145 -4.217 1.00 0.00 C ATOM 839 O VAL A 47 -2.195 2.462 -5.234 1.00 0.00 O ATOM 840 CB VAL A 47 -1.616 5.589 -4.337 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.193 6.991 -4.221 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.477 5.386 -3.344 1.00 0.00 C ATOM 0 H VAL A 47 -2.968 5.443 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.480 4.634 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.216 5.470 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.402 7.724 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.970 7.128 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.621 7.127 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.291 6.141 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.860 5.478 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.047 4.394 -3.482 1.00 0.00 H new ATOM 852 N TRP A 48 -1.401 2.752 -3.149 1.00 0.00 N ATOM 853 CA TRP A 48 -0.725 1.470 -3.077 1.00 0.00 C ATOM 854 C TRP A 48 -1.718 0.318 -3.227 1.00 0.00 C ATOM 855 O TRP A 48 -1.537 -0.556 -4.075 1.00 0.00 O ATOM 856 CB TRP A 48 0.041 1.371 -1.755 1.00 0.00 C ATOM 857 CG TRP A 48 1.513 1.147 -1.930 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.494 2.096 -1.898 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.172 -0.102 -2.164 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.722 1.513 -2.094 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.551 0.164 -2.260 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.731 -1.420 -2.299 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.490 -0.839 -2.484 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.663 -2.414 -2.521 1.00 0.00 C ATOM 865 CH2 TRP A 48 4.029 -2.121 -2.612 1.00 0.00 C ATOM 0 H TRP A 48 -1.305 3.318 -2.306 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.016 1.395 -3.902 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.113 2.288 -1.186 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.375 0.555 -1.164 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.328 3.152 -1.741 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.616 2.004 -2.113 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.680 -1.658 -2.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.544 -0.614 -2.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.332 -3.437 -2.626 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.732 -2.922 -2.787 1.00 0.00 H new ATOM 876 N PHE A 49 -2.775 0.323 -2.413 1.00 0.00 N ATOM 877 CA PHE A 49 -3.790 -0.724 -2.484 1.00 0.00 C ATOM 878 C PHE A 49 -4.571 -0.634 -3.792 1.00 0.00 C ATOM 879 O PHE A 49 -5.116 -1.625 -4.263 1.00 0.00 O ATOM 880 CB PHE A 49 -4.764 -0.632 -1.303 1.00 0.00 C ATOM 881 CG PHE A 49 -4.131 -0.854 0.045 1.00 0.00 C ATOM 882 CD1 PHE A 49 -3.045 -1.705 0.194 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.629 -0.210 1.167 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.471 -1.905 1.435 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.058 -0.407 2.408 1.00 0.00 C ATOM 886 CZ PHE A 49 -2.979 -1.253 2.543 1.00 0.00 C ATOM 0 H PHE A 49 -2.948 1.035 -1.703 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.272 -1.682 -2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.235 0.351 -1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.557 -1.367 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.644 -2.216 -0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.475 0.454 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.626 -2.570 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.457 0.102 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.531 -1.407 3.513 1.00 0.00 H new ATOM 896 N ILE A 50 -4.627 0.558 -4.380 1.00 0.00 N ATOM 897 CA ILE A 50 -5.348 0.747 -5.635 1.00 0.00 C ATOM 898 C ILE A 50 -4.815 -0.204 -6.707 1.00 0.00 C ATOM 899 O ILE A 50 -5.574 -0.964 -7.312 1.00 0.00 O ATOM 900 CB ILE A 50 -5.254 2.216 -6.123 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.464 3.012 -5.627 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.156 2.296 -7.643 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.773 2.570 -6.245 1.00 0.00 C ATOM 0 H ILE A 50 -4.186 1.401 -4.012 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.398 0.519 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.344 2.650 -5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.532 2.916 -4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.307 4.069 -5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.092 3.340 -7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.266 1.764 -7.979 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.040 1.841 -8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.586 3.177 -5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.724 2.692 -7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.953 1.522 -6.006 1.00 0.00 H new ATOM 915 N ASN A 51 -3.505 -0.164 -6.927 1.00 0.00 N ATOM 916 CA ASN A 51 -2.868 -1.027 -7.915 1.00 0.00 C ATOM 917 C ASN A 51 -2.661 -2.429 -7.352 1.00 0.00 C ATOM 918 O ASN A 51 -2.658 -3.414 -8.092 1.00 0.00 O ATOM 919 CB ASN A 51 -1.527 -0.435 -8.351 1.00 0.00 C ATOM 920 CG ASN A 51 -1.686 0.886 -9.078 1.00 0.00 C ATOM 921 OD1 ASN A 51 -1.824 0.924 -10.301 1.00 0.00 O ATOM 922 ND2 ASN A 51 -1.669 1.982 -8.327 1.00 0.00 N ATOM 0 H ASN A 51 -2.864 0.457 -6.434 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.524 -1.095 -8.783 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.895 -0.290 -7.475 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.014 -1.144 -9.000 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.773 2.899 -8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.552 1.906 -7.317 1.00 0.00 H new ATOM 929 N LYS A 52 -2.491 -2.511 -6.036 1.00 0.00 N ATOM 930 CA LYS A 52 -2.286 -3.790 -5.364 1.00 0.00 C ATOM 931 C LYS A 52 -3.610 -4.373 -4.871 1.00 0.00 C ATOM 932 O LYS A 52 -3.627 -5.315 -4.080 1.00 0.00 O ATOM 933 CB LYS A 52 -1.333 -3.615 -4.182 1.00 0.00 C ATOM 934 CG LYS A 52 0.123 -3.464 -4.589 1.00 0.00 C ATOM 935 CD LYS A 52 0.593 -4.639 -5.434 1.00 0.00 C ATOM 936 CE LYS A 52 1.952 -5.146 -4.975 1.00 0.00 C ATOM 937 NZ LYS A 52 2.233 -6.519 -5.481 1.00 0.00 N ATOM 0 H LYS A 52 -2.491 -1.704 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.851 -4.482 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.634 -2.737 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.429 -4.475 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.251 -2.538 -5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.744 -3.385 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.137 -5.446 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.650 -4.337 -6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.729 -4.465 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.991 -5.146 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.168 -6.828 -5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.506 -7.174 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.222 -6.515 -6.521 1.00 0.00 H new ATOM 951 N ARG A 53 -4.716 -3.801 -5.337 1.00 0.00 N ATOM 952 CA ARG A 53 -6.040 -4.255 -4.938 1.00 0.00 C ATOM 953 C ARG A 53 -7.124 -3.525 -5.720 1.00 0.00 C ATOM 954 O ARG A 53 -8.199 -3.248 -5.189 1.00 0.00 O ATOM 955 CB ARG A 53 -6.255 -4.024 -3.442 1.00 0.00 C ATOM 956 CG ARG A 53 -7.464 -4.759 -2.895 1.00 0.00 C ATOM 957 CD ARG A 53 -8.182 -3.942 -1.832 1.00 0.00 C ATOM 958 NE ARG A 53 -8.637 -2.654 -2.349 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.414 -1.813 -1.666 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.820 -2.120 -0.441 1.00 0.00 N ATOM 961 NH2 ARG A 53 -9.784 -0.663 -2.212 1.00 0.00 N ATOM 0 H ARG A 53 -4.719 -3.020 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.105 -5.321 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.366 -4.345 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.373 -2.956 -3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.153 -4.984 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.150 -5.713 -2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.037 -4.505 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.513 -3.778 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.343 -2.382 -3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.538 -3.004 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.414 -1.472 0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.474 -0.422 -3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.378 -0.019 -1.691 1.00 0.00 H new ATOM 975 N MET A 54 -6.838 -3.211 -6.979 1.00 0.00 N ATOM 976 CA MET A 54 -7.796 -2.509 -7.826 1.00 0.00 C ATOM 977 C MET A 54 -9.119 -3.266 -7.895 1.00 0.00 C ATOM 978 O MET A 54 -9.351 -4.052 -8.813 1.00 0.00 O ATOM 979 CB MET A 54 -7.223 -2.320 -9.233 1.00 0.00 C ATOM 980 CG MET A 54 -7.454 -0.929 -9.801 1.00 0.00 C ATOM 981 SD MET A 54 -7.762 -0.948 -11.578 1.00 0.00 S ATOM 982 CE MET A 54 -6.091 -1.072 -12.210 1.00 0.00 C ATOM 0 H MET A 54 -5.952 -3.431 -7.435 1.00 0.00 H new ATOM 0 HA MET A 54 -7.984 -1.530 -7.386 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.152 -2.521 -9.210 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.671 -3.055 -9.901 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.302 -0.470 -9.294 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.584 -0.307 -9.593 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.115 -1.095 -13.300 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.511 -0.211 -11.877 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.628 -1.986 -11.838 1.00 0.00 H new