USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=9 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 18 GLN : amide:sc= -2.23 K(o=-13,f=-10) USER MOD Set 1.2: A 38 CYS SG : rot -50:sc= -10.7! USER MOD Single : A 9 SER OG : rot 10:sc= 0.826 USER MOD Single : A 11 GLN : amide:sc= -0.682 K(o=-0.68,f=-0.0088) USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= 1.15 (180deg=1.07) USER MOD Single : A 24 GLN : amide:sc= -3.3! C(o=-3.3!,f=-1.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.68) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0596) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= 0.613 (180deg=0.475) USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= -0.28 (180deg=-0.931) USER MOD Single : A 41 THR OG1 : rot 180:sc= -2.11 USER MOD Single : A 44 GLN : amide:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0416 X(o=-0.042,f=-0.042) 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 12.245 -0.890 0.251 1.00 0.00 N ATOM 202 CA SER A 9 12.951 -2.162 0.389 1.00 0.00 C ATOM 203 C SER A 9 12.045 -3.314 -0.045 1.00 0.00 C ATOM 204 O SER A 9 10.914 -3.080 -0.473 1.00 0.00 O ATOM 205 CB SER A 9 13.394 -2.343 1.846 1.00 0.00 C ATOM 206 OG SER A 9 13.098 -1.194 2.621 1.00 0.00 O ATOM 0 HA SER A 9 13.833 -2.161 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.895 -3.212 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.465 -2.542 1.881 1.00 0.00 H new ATOM 0 HG SER A 9 12.534 -0.585 2.100 1.00 0.00 H new ATOM 212 N PRO A 10 12.497 -4.582 0.067 1.00 0.00 N ATOM 213 CA PRO A 10 11.672 -5.733 -0.312 1.00 0.00 C ATOM 214 C PRO A 10 10.298 -5.652 0.336 1.00 0.00 C ATOM 215 O PRO A 10 9.322 -6.211 -0.166 1.00 0.00 O ATOM 216 CB PRO A 10 12.451 -6.946 0.217 1.00 0.00 C ATOM 217 CG PRO A 10 13.499 -6.380 1.115 1.00 0.00 C ATOM 218 CD PRO A 10 13.804 -5.010 0.582 1.00 0.00 C ATOM 0 HA PRO A 10 11.498 -5.784 -1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.796 -7.628 0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.897 -7.513 -0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.144 -6.328 2.144 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.391 -7.006 1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.174 -4.343 1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.562 -5.037 -0.201 1.00 0.00 H new ATOM 226 N GLN A 11 10.233 -4.930 1.452 1.00 0.00 N ATOM 227 CA GLN A 11 8.989 -4.738 2.181 1.00 0.00 C ATOM 228 C GLN A 11 7.868 -4.321 1.240 1.00 0.00 C ATOM 229 O GLN A 11 6.703 -4.565 1.517 1.00 0.00 O ATOM 230 CB GLN A 11 9.177 -3.676 3.262 1.00 0.00 C ATOM 231 CG GLN A 11 10.119 -4.098 4.378 1.00 0.00 C ATOM 232 CD GLN A 11 10.333 -3.003 5.405 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.364 -3.262 6.608 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.481 -1.771 4.934 1.00 0.00 N ATOM 0 H GLN A 11 11.038 -4.465 1.872 1.00 0.00 H new ATOM 0 HA GLN A 11 8.716 -5.685 2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.559 -2.765 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.205 -3.432 3.692 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.717 -4.982 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.080 -4.382 3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.448 -1.602 3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.627 -0.993 5.577 1.00 0.00 H new ATOM 243 N ALA A 12 8.220 -3.701 0.118 1.00 0.00 N ATOM 244 CA ALA A 12 7.214 -3.280 -0.849 1.00 0.00 C ATOM 245 C ALA A 12 6.198 -4.397 -1.062 1.00 0.00 C ATOM 246 O ALA A 12 4.994 -4.210 -0.876 1.00 0.00 O ATOM 247 CB ALA A 12 7.873 -2.902 -2.168 1.00 0.00 C ATOM 0 H ALA A 12 9.182 -3.481 -0.142 1.00 0.00 H new ATOM 0 HA ALA A 12 6.696 -2.403 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.109 -2.590 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.572 -2.082 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.410 -3.763 -2.566 1.00 0.00 H new ATOM 253 N ARG A 13 6.708 -5.568 -1.426 1.00 0.00 N ATOM 254 CA ARG A 13 5.870 -6.739 -1.643 1.00 0.00 C ATOM 255 C ARG A 13 5.543 -7.426 -0.320 1.00 0.00 C ATOM 256 O ARG A 13 4.440 -7.934 -0.133 1.00 0.00 O ATOM 257 CB ARG A 13 6.568 -7.725 -2.585 1.00 0.00 C ATOM 258 CG ARG A 13 7.760 -8.430 -1.955 1.00 0.00 C ATOM 259 CD ARG A 13 8.830 -8.753 -2.985 1.00 0.00 C ATOM 260 NE ARG A 13 8.877 -10.180 -3.298 1.00 0.00 N ATOM 261 CZ ARG A 13 9.731 -10.722 -4.162 1.00 0.00 C ATOM 262 NH1 ARG A 13 10.611 -9.961 -4.802 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.706 -12.028 -4.389 1.00 0.00 N ATOM 0 H ARG A 13 7.703 -5.731 -1.577 1.00 0.00 H new ATOM 0 HA ARG A 13 4.938 -6.408 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.847 -8.473 -2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.901 -7.191 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.185 -7.799 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.427 -9.350 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.637 -8.188 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.802 -8.432 -2.611 1.00 0.00 H new ATOM 0 HE ARG A 13 8.216 -10.797 -2.826 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.635 -8.956 -4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.264 -10.382 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.032 -12.618 -3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.361 -12.443 -5.052 1.00 0.00 H new ATOM 277 N ALA A 14 6.516 -7.444 0.591 1.00 0.00 N ATOM 278 CA ALA A 14 6.339 -8.078 1.895 1.00 0.00 C ATOM 279 C ALA A 14 5.278 -7.364 2.724 1.00 0.00 C ATOM 280 O ALA A 14 4.313 -7.977 3.180 1.00 0.00 O ATOM 281 CB ALA A 14 7.661 -8.110 2.647 1.00 0.00 C ATOM 0 H ALA A 14 7.435 -7.026 0.449 1.00 0.00 H new ATOM 0 HA ALA A 14 5.998 -9.100 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.516 -8.585 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.393 -8.676 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.022 -7.092 2.792 1.00 0.00 H new ATOM 287 N PHE A 15 5.459 -6.063 2.911 1.00 0.00 N ATOM 288 CA PHE A 15 4.518 -5.264 3.674 1.00 0.00 C ATOM 289 C PHE A 15 3.119 -5.413 3.095 1.00 0.00 C ATOM 290 O PHE A 15 2.175 -5.737 3.811 1.00 0.00 O ATOM 291 CB PHE A 15 4.967 -3.788 3.719 1.00 0.00 C ATOM 292 CG PHE A 15 4.318 -2.878 2.702 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.967 -2.573 2.781 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.063 -2.322 1.672 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.373 -1.736 1.854 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.474 -1.484 0.743 1.00 0.00 C ATOM 297 CZ PHE A 15 3.127 -1.192 0.835 1.00 0.00 C ATOM 0 H PHE A 15 6.253 -5.540 2.542 1.00 0.00 H new ATOM 0 HA PHE A 15 4.495 -5.625 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.763 -3.395 4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.047 -3.751 3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.371 -2.995 3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.117 -2.547 1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.320 -1.509 1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.066 -1.058 -0.053 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.665 -0.539 0.110 1.00 0.00 H new ATOM 307 N LEU A 16 2.995 -5.200 1.791 1.00 0.00 N ATOM 308 CA LEU A 16 1.706 -5.338 1.133 1.00 0.00 C ATOM 309 C LEU A 16 1.255 -6.791 1.176 1.00 0.00 C ATOM 310 O LEU A 16 0.063 -7.080 1.279 1.00 0.00 O ATOM 311 CB LEU A 16 1.774 -4.860 -0.316 1.00 0.00 C ATOM 312 CG LEU A 16 0.491 -5.079 -1.124 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.317 -3.794 -1.203 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.814 -5.599 -2.519 1.00 0.00 C ATOM 0 H LEU A 16 3.763 -4.934 1.175 1.00 0.00 H new ATOM 0 HA LEU A 16 0.985 -4.717 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.014 -3.797 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.594 -5.375 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.111 -5.830 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.224 -3.970 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.584 -3.470 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.278 -3.020 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.112 -5.747 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.439 -4.875 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.346 -6.547 -2.440 1.00 0.00 H new ATOM 326 N GLU A 17 2.221 -7.704 1.107 1.00 0.00 N ATOM 327 CA GLU A 17 1.923 -9.129 1.148 1.00 0.00 C ATOM 328 C GLU A 17 1.037 -9.447 2.341 1.00 0.00 C ATOM 329 O GLU A 17 -0.109 -9.857 2.181 1.00 0.00 O ATOM 330 CB GLU A 17 3.214 -9.951 1.217 1.00 0.00 C ATOM 331 CG GLU A 17 3.585 -10.606 -0.103 1.00 0.00 C ATOM 332 CD GLU A 17 3.036 -12.013 -0.228 1.00 0.00 C ATOM 333 OE1 GLU A 17 3.444 -12.884 0.570 1.00 0.00 O ATOM 334 OE2 GLU A 17 2.198 -12.246 -1.125 1.00 0.00 O ATOM 0 H GLU A 17 3.213 -7.481 1.023 1.00 0.00 H new ATOM 0 HA GLU A 17 1.393 -9.394 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.031 -9.304 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.104 -10.723 1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.208 -9.998 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.670 -10.633 -0.199 1.00 0.00 H new ATOM 341 N GLN A 18 1.576 -9.237 3.535 1.00 0.00 N ATOM 342 CA GLN A 18 0.835 -9.489 4.763 1.00 0.00 C ATOM 343 C GLN A 18 -0.407 -8.605 4.836 1.00 0.00 C ATOM 344 O GLN A 18 -1.456 -9.040 5.312 1.00 0.00 O ATOM 345 CB GLN A 18 1.727 -9.264 5.989 1.00 0.00 C ATOM 346 CG GLN A 18 2.713 -8.118 5.836 1.00 0.00 C ATOM 347 CD GLN A 18 2.717 -7.182 7.030 1.00 0.00 C ATOM 348 OE1 GLN A 18 2.681 -7.624 8.178 1.00 0.00 O ATOM 349 NE2 GLN A 18 2.757 -5.882 6.763 1.00 0.00 N ATOM 0 H GLN A 18 2.525 -8.892 3.679 1.00 0.00 H new ATOM 0 HA GLN A 18 0.514 -10.531 4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.094 -9.072 6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.280 -10.180 6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.715 -8.523 5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.468 -7.552 4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.786 -5.561 5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.759 -5.205 7.526 1.00 0.00 H new ATOM 358 N VAL A 19 -0.293 -7.371 4.347 1.00 0.00 N ATOM 359 CA VAL A 19 -1.428 -6.451 4.347 1.00 0.00 C ATOM 360 C VAL A 19 -2.588 -7.057 3.563 1.00 0.00 C ATOM 361 O VAL A 19 -3.624 -7.400 4.132 1.00 0.00 O ATOM 362 CB VAL A 19 -1.053 -5.080 3.737 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.267 -4.166 3.644 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.046 -4.418 4.552 1.00 0.00 C ATOM 0 H VAL A 19 0.565 -6.988 3.950 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.724 -6.291 5.384 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.685 -5.254 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.971 -3.210 3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.025 -4.631 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.676 -4.002 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.298 -3.454 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.300 -4.268 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.929 -5.056 4.558 1.00 0.00 H new ATOM 374 N PHE A 20 -2.396 -7.205 2.256 1.00 0.00 N ATOM 375 CA PHE A 20 -3.414 -7.792 1.394 1.00 0.00 C ATOM 376 C PHE A 20 -3.752 -9.216 1.843 1.00 0.00 C ATOM 377 O PHE A 20 -4.795 -9.758 1.478 1.00 0.00 O ATOM 378 CB PHE A 20 -2.922 -7.800 -0.056 1.00 0.00 C ATOM 379 CG PHE A 20 -3.885 -8.422 -1.028 1.00 0.00 C ATOM 380 CD1 PHE A 20 -3.827 -9.778 -1.308 1.00 0.00 C ATOM 381 CD2 PHE A 20 -4.843 -7.651 -1.667 1.00 0.00 C ATOM 382 CE1 PHE A 20 -4.706 -10.353 -2.206 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.723 -8.221 -2.568 1.00 0.00 C ATOM 384 CZ PHE A 20 -5.654 -9.573 -2.837 1.00 0.00 C ATOM 0 H PHE A 20 -1.543 -6.926 1.771 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.319 -7.189 1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.721 -6.774 -0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.975 -8.338 -0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.086 -10.393 -0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.903 -6.593 -1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.651 -11.411 -2.414 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.464 -7.609 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.341 -10.020 -3.540 1.00 0.00 H new ATOM 394 N ARG A 21 -2.867 -9.817 2.636 1.00 0.00 N ATOM 395 CA ARG A 21 -3.080 -11.173 3.133 1.00 0.00 C ATOM 396 C ARG A 21 -4.120 -11.179 4.248 1.00 0.00 C ATOM 397 O ARG A 21 -4.957 -12.078 4.329 1.00 0.00 O ATOM 398 CB ARG A 21 -1.769 -11.764 3.654 1.00 0.00 C ATOM 399 CG ARG A 21 -1.472 -13.156 3.120 1.00 0.00 C ATOM 400 CD ARG A 21 -0.835 -13.095 1.741 1.00 0.00 C ATOM 401 NE ARG A 21 -0.544 -14.424 1.209 1.00 0.00 N ATOM 402 CZ ARG A 21 0.547 -15.123 1.513 1.00 0.00 C ATOM 403 NH1 ARG A 21 1.443 -14.634 2.362 1.00 0.00 N ATOM 404 NH2 ARG A 21 0.741 -16.318 0.971 1.00 0.00 N ATOM 0 H ARG A 21 -1.997 -9.386 2.947 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.443 -11.782 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.949 -11.099 3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.805 -11.802 4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.806 -13.677 3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.395 -13.734 3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.502 -12.570 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.087 -12.517 1.794 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.217 -14.841 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.297 -13.718 2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.277 -15.175 2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.054 -16.701 0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.577 -16.854 1.204 1.00 0.00 H new ATOM 418 N ARG A 22 -4.055 -10.169 5.109 1.00 0.00 N ATOM 419 CA ARG A 22 -4.986 -10.054 6.226 1.00 0.00 C ATOM 420 C ARG A 22 -6.422 -9.971 5.724 1.00 0.00 C ATOM 421 O ARG A 22 -7.332 -10.564 6.303 1.00 0.00 O ATOM 422 CB ARG A 22 -4.656 -8.815 7.055 1.00 0.00 C ATOM 423 CG ARG A 22 -3.538 -9.035 8.062 1.00 0.00 C ATOM 424 CD ARG A 22 -3.225 -7.764 8.834 1.00 0.00 C ATOM 425 NE ARG A 22 -4.435 -7.109 9.326 1.00 0.00 N ATOM 426 CZ ARG A 22 -4.481 -5.841 9.729 1.00 0.00 C ATOM 427 NH1 ARG A 22 -3.389 -5.089 9.702 1.00 0.00 N ATOM 428 NH2 ARG A 22 -5.623 -5.323 10.159 1.00 0.00 N ATOM 0 H ARG A 22 -3.367 -9.418 5.055 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.886 -10.943 6.849 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.374 -8.004 6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.553 -8.494 7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.824 -9.824 8.758 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.642 -9.377 7.544 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.574 -8.002 9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.676 -7.076 8.191 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.295 -7.656 9.363 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.508 -5.481 9.371 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.431 -4.118 10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.467 -5.896 10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.658 -4.351 10.468 1.00 0.00 H new ATOM 442 N LYS A 23 -6.611 -9.233 4.639 1.00 0.00 N ATOM 443 CA LYS A 23 -7.931 -9.065 4.042 1.00 0.00 C ATOM 444 C LYS A 23 -7.815 -8.404 2.667 1.00 0.00 C ATOM 445 O LYS A 23 -6.860 -8.660 1.937 1.00 0.00 O ATOM 446 CB LYS A 23 -8.842 -8.256 4.970 1.00 0.00 C ATOM 447 CG LYS A 23 -8.460 -6.787 5.081 1.00 0.00 C ATOM 448 CD LYS A 23 -9.582 -5.942 5.674 1.00 0.00 C ATOM 449 CE LYS A 23 -10.939 -6.264 5.062 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.979 -5.275 5.458 1.00 0.00 N ATOM 0 H LYS A 23 -5.864 -8.738 4.151 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.380 -10.049 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.868 -8.328 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.821 -8.703 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.569 -6.691 5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.203 -6.405 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.625 -6.104 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.358 -4.886 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.851 -6.282 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.250 -7.261 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.904 -5.748 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.739 -4.871 6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.022 -4.514 4.750 1.00 0.00 H new ATOM 464 N GLN A 24 -8.779 -7.561 2.305 1.00 0.00 N ATOM 465 CA GLN A 24 -8.743 -6.896 1.009 1.00 0.00 C ATOM 466 C GLN A 24 -9.301 -5.482 1.095 1.00 0.00 C ATOM 467 O GLN A 24 -8.689 -4.529 0.616 1.00 0.00 O ATOM 468 CB GLN A 24 -9.544 -7.689 -0.032 1.00 0.00 C ATOM 469 CG GLN A 24 -9.491 -9.201 0.144 1.00 0.00 C ATOM 470 CD GLN A 24 -8.305 -9.832 -0.557 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.162 -9.727 -1.775 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.448 -10.496 0.210 1.00 0.00 N ATOM 0 H GLN A 24 -9.585 -7.325 2.884 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.698 -6.845 0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.585 -7.368 0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.172 -7.439 -1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.447 -9.437 1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.411 -9.640 -0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.606 -10.558 1.216 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.632 -10.944 -0.207 1.00 0.00 H new ATOM 481 N SER A 25 -10.480 -5.362 1.685 1.00 0.00 N ATOM 482 CA SER A 25 -11.146 -4.071 1.806 1.00 0.00 C ATOM 483 C SER A 25 -10.698 -3.291 3.039 1.00 0.00 C ATOM 484 O SER A 25 -11.445 -3.167 4.010 1.00 0.00 O ATOM 485 CB SER A 25 -12.662 -4.269 1.842 1.00 0.00 C ATOM 486 OG SER A 25 -13.341 -3.025 1.803 1.00 0.00 O ATOM 0 H SER A 25 -10.997 -6.143 2.089 1.00 0.00 H new ATOM 0 HA SER A 25 -10.865 -3.483 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.972 -4.882 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.940 -4.810 2.747 1.00 0.00 H new ATOM 0 HG SER A 25 -14.308 -3.180 1.826 1.00 0.00 H new ATOM 492 N LEU A 26 -9.490 -2.736 2.989 1.00 0.00 N ATOM 493 CA LEU A 26 -8.982 -1.939 4.100 1.00 0.00 C ATOM 494 C LEU A 26 -9.711 -0.597 4.139 1.00 0.00 C ATOM 495 O LEU A 26 -9.807 0.090 3.121 1.00 0.00 O ATOM 496 CB LEU A 26 -7.469 -1.703 3.970 1.00 0.00 C ATOM 497 CG LEU A 26 -6.602 -2.943 3.701 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.207 -2.758 4.288 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.248 -4.201 4.265 1.00 0.00 C ATOM 0 H LEU A 26 -8.851 -2.822 2.199 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.161 -2.486 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.303 -0.989 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.117 -1.233 4.888 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.517 -3.061 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.607 -3.646 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.733 -1.889 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.283 -2.606 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.611 -5.061 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.375 -4.093 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.222 -4.351 3.798 1.00 0.00 H new ATOM 511 N ASN A 27 -10.230 -0.227 5.305 1.00 0.00 N ATOM 512 CA ASN A 27 -10.953 1.037 5.444 1.00 0.00 C ATOM 513 C ASN A 27 -10.027 2.132 5.958 1.00 0.00 C ATOM 514 O ASN A 27 -8.847 1.894 6.200 1.00 0.00 O ATOM 515 CB ASN A 27 -12.162 0.893 6.386 1.00 0.00 C ATOM 516 CG ASN A 27 -12.349 -0.517 6.918 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.965 -1.361 6.267 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.819 -0.776 8.107 1.00 0.00 N ATOM 0 H ASN A 27 -10.166 -0.777 6.162 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.320 1.313 4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.042 1.577 7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.065 1.196 5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.914 -1.705 8.516 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.316 -0.046 8.611 1.00 0.00 H new ATOM 525 N SER A 28 -10.571 3.333 6.134 1.00 0.00 N ATOM 526 CA SER A 28 -9.790 4.461 6.633 1.00 0.00 C ATOM 527 C SER A 28 -9.072 4.077 7.922 1.00 0.00 C ATOM 528 O SER A 28 -8.019 4.624 8.253 1.00 0.00 O ATOM 529 CB SER A 28 -10.699 5.667 6.878 1.00 0.00 C ATOM 530 OG SER A 28 -10.985 6.345 5.667 1.00 0.00 O ATOM 0 H SER A 28 -11.548 3.550 5.939 1.00 0.00 H new ATOM 0 HA SER A 28 -9.046 4.728 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.629 5.337 7.342 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.219 6.352 7.577 1.00 0.00 H new ATOM 0 HG SER A 28 -11.569 7.110 5.851 1.00 0.00 H new ATOM 536 N LYS A 29 -9.654 3.124 8.636 1.00 0.00 N ATOM 537 CA LYS A 29 -9.095 2.639 9.883 1.00 0.00 C ATOM 538 C LYS A 29 -7.943 1.682 9.617 1.00 0.00 C ATOM 539 O LYS A 29 -6.857 1.830 10.171 1.00 0.00 O ATOM 540 CB LYS A 29 -10.184 1.929 10.677 1.00 0.00 C ATOM 541 CG LYS A 29 -11.395 2.803 10.963 1.00 0.00 C ATOM 542 CD LYS A 29 -12.452 2.669 9.878 1.00 0.00 C ATOM 543 CE LYS A 29 -12.739 4.003 9.208 1.00 0.00 C ATOM 544 NZ LYS A 29 -13.804 4.763 9.919 1.00 0.00 N ATOM 0 H LYS A 29 -10.525 2.668 8.365 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.713 3.485 10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.506 1.045 10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.766 1.581 11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.824 2.527 11.926 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.083 3.844 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.117 1.950 9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.371 2.274 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.826 4.598 9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.042 3.833 8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.970 5.666 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.682 4.206 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.504 4.948 10.898 1.00 0.00 H new ATOM 558 N GLU A 30 -8.187 0.705 8.754 1.00 0.00 N ATOM 559 CA GLU A 30 -7.174 -0.272 8.403 1.00 0.00 C ATOM 560 C GLU A 30 -6.099 0.383 7.560 1.00 0.00 C ATOM 561 O GLU A 30 -4.921 0.113 7.721 1.00 0.00 O ATOM 562 CB GLU A 30 -7.793 -1.440 7.636 1.00 0.00 C ATOM 563 CG GLU A 30 -8.932 -2.119 8.379 1.00 0.00 C ATOM 564 CD GLU A 30 -8.675 -3.593 8.624 1.00 0.00 C ATOM 565 OE1 GLU A 30 -8.522 -4.341 7.636 1.00 0.00 O ATOM 566 OE2 GLU A 30 -8.628 -4.000 9.805 1.00 0.00 O ATOM 0 H GLU A 30 -9.082 0.571 8.284 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.731 -0.656 9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.161 -1.079 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.018 -2.177 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.087 -1.618 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.853 -2.005 7.807 1.00 0.00 H new ATOM 573 N LYS A 31 -6.514 1.259 6.666 1.00 0.00 N ATOM 574 CA LYS A 31 -5.583 1.962 5.809 1.00 0.00 C ATOM 575 C LYS A 31 -4.590 2.758 6.650 1.00 0.00 C ATOM 576 O LYS A 31 -3.423 2.889 6.294 1.00 0.00 O ATOM 577 CB LYS A 31 -6.355 2.874 4.857 1.00 0.00 C ATOM 578 CG LYS A 31 -6.526 4.295 5.364 1.00 0.00 C ATOM 579 CD LYS A 31 -7.191 5.177 4.325 1.00 0.00 C ATOM 580 CE LYS A 31 -7.558 6.539 4.895 1.00 0.00 C ATOM 581 NZ LYS A 31 -6.692 7.619 4.350 1.00 0.00 N ATOM 0 H LYS A 31 -7.493 1.501 6.515 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.017 1.242 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.838 2.901 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.340 2.443 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.125 4.288 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.552 4.709 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.521 5.307 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.089 4.685 3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.601 6.759 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.468 6.515 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.856 8.497 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.694 7.342 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.920 7.774 3.347 1.00 0.00 H new ATOM 595 N GLU A 32 -5.066 3.282 7.774 1.00 0.00 N ATOM 596 CA GLU A 32 -4.222 4.059 8.674 1.00 0.00 C ATOM 597 C GLU A 32 -3.569 3.152 9.714 1.00 0.00 C ATOM 598 O GLU A 32 -2.411 3.343 10.086 1.00 0.00 O ATOM 599 CB GLU A 32 -5.050 5.151 9.361 1.00 0.00 C ATOM 600 CG GLU A 32 -5.957 4.637 10.471 1.00 0.00 C ATOM 601 CD GLU A 32 -6.580 5.758 11.280 1.00 0.00 C ATOM 602 OE1 GLU A 32 -7.618 6.298 10.846 1.00 0.00 O ATOM 603 OE2 GLU A 32 -6.028 6.095 12.350 1.00 0.00 O ATOM 0 H GLU A 32 -6.033 3.183 8.084 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.433 4.532 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.373 5.898 9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.660 5.655 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.747 4.025 10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.383 3.991 11.135 1.00 0.00 H new ATOM 610 N GLU A 33 -4.327 2.163 10.174 1.00 0.00 N ATOM 611 CA GLU A 33 -3.845 1.213 11.167 1.00 0.00 C ATOM 612 C GLU A 33 -2.847 0.244 10.543 1.00 0.00 C ATOM 613 O GLU A 33 -1.878 -0.168 11.179 1.00 0.00 O ATOM 614 CB GLU A 33 -5.025 0.439 11.749 1.00 0.00 C ATOM 615 CG GLU A 33 -5.945 1.288 12.609 1.00 0.00 C ATOM 616 CD GLU A 33 -5.638 1.167 14.089 1.00 0.00 C ATOM 617 OE1 GLU A 33 -5.820 0.063 14.645 1.00 0.00 O ATOM 618 OE2 GLU A 33 -5.215 2.176 14.691 1.00 0.00 O ATOM 0 H GLU A 33 -5.287 1.998 9.871 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.341 1.762 11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.602 0.005 10.932 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.646 -0.390 12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.857 2.332 12.308 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.979 0.991 12.431 1.00 0.00 H new ATOM 625 N VAL A 34 -3.100 -0.106 9.290 1.00 0.00 N ATOM 626 CA VAL A 34 -2.244 -1.020 8.547 1.00 0.00 C ATOM 627 C VAL A 34 -1.018 -0.284 8.026 1.00 0.00 C ATOM 628 O VAL A 34 0.087 -0.823 8.023 1.00 0.00 O ATOM 629 CB VAL A 34 -3.011 -1.668 7.367 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.100 -2.546 6.521 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.192 -2.477 7.886 1.00 0.00 C ATOM 0 H VAL A 34 -3.903 0.235 8.761 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.927 -1.812 9.225 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.381 -0.864 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.673 -2.983 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.289 -1.943 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.685 -3.342 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.722 -2.927 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.831 -3.262 8.550 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.869 -1.822 8.434 1.00 0.00 H new ATOM 641 N ALA A 35 -1.219 0.954 7.591 1.00 0.00 N ATOM 642 CA ALA A 35 -0.122 1.762 7.073 1.00 0.00 C ATOM 643 C ALA A 35 0.924 2.035 8.151 1.00 0.00 C ATOM 644 O ALA A 35 2.116 2.142 7.863 1.00 0.00 O ATOM 645 CB ALA A 35 -0.646 3.068 6.508 1.00 0.00 C ATOM 0 H ALA A 35 -2.127 1.419 7.586 1.00 0.00 H new ATOM 0 HA ALA A 35 0.358 1.198 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.186 3.659 6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.345 2.860 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.156 3.626 7.293 1.00 0.00 H new ATOM 651 N LYS A 36 0.472 2.164 9.393 1.00 0.00 N ATOM 652 CA LYS A 36 1.373 2.443 10.508 1.00 0.00 C ATOM 653 C LYS A 36 1.938 1.166 11.130 1.00 0.00 C ATOM 654 O LYS A 36 2.953 1.207 11.825 1.00 0.00 O ATOM 655 CB LYS A 36 0.644 3.260 11.574 1.00 0.00 C ATOM 656 CG LYS A 36 -0.412 2.473 12.332 1.00 0.00 C ATOM 657 CD LYS A 36 -1.094 3.329 13.387 1.00 0.00 C ATOM 658 CE LYS A 36 -1.279 2.567 14.689 1.00 0.00 C ATOM 659 NZ LYS A 36 -2.353 1.542 14.583 1.00 0.00 N ATOM 0 H LYS A 36 -0.510 2.080 9.654 1.00 0.00 H new ATOM 0 HA LYS A 36 2.213 3.013 10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.374 3.648 12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.172 4.121 11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.157 2.094 11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.049 1.607 12.807 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.500 4.225 13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.064 3.660 13.017 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.341 2.084 14.963 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.523 3.267 15.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.272 0.872 15.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.282 2.008 14.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.256 1.029 13.683 1.00 0.00 H new ATOM 673 N LYS A 37 1.274 0.037 10.898 1.00 0.00 N ATOM 674 CA LYS A 37 1.723 -1.231 11.464 1.00 0.00 C ATOM 675 C LYS A 37 2.450 -2.083 10.428 1.00 0.00 C ATOM 676 O LYS A 37 3.320 -2.884 10.771 1.00 0.00 O ATOM 677 CB LYS A 37 0.536 -2.009 12.041 1.00 0.00 C ATOM 678 CG LYS A 37 -0.394 -2.588 10.984 1.00 0.00 C ATOM 679 CD LYS A 37 -0.294 -4.103 10.923 1.00 0.00 C ATOM 680 CE LYS A 37 -0.823 -4.745 12.195 1.00 0.00 C ATOM 681 NZ LYS A 37 -2.113 -4.141 12.627 1.00 0.00 N ATOM 0 H LYS A 37 0.431 -0.026 10.327 1.00 0.00 H new ATOM 0 HA LYS A 37 2.426 -1.002 12.265 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.914 -2.821 12.663 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.037 -1.349 12.692 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.422 -2.299 11.204 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.146 -2.167 10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.857 -4.472 10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.745 -4.395 10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.959 -5.814 12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.086 -4.635 12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.651 -4.834 13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.925 -3.300 13.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.665 -3.866 11.790 1.00 0.00 H new ATOM 695 N CYS A 38 2.086 -1.913 9.163 1.00 0.00 N ATOM 696 CA CYS A 38 2.705 -2.677 8.088 1.00 0.00 C ATOM 697 C CYS A 38 3.839 -1.891 7.436 1.00 0.00 C ATOM 698 O CYS A 38 4.802 -2.476 6.940 1.00 0.00 O ATOM 699 CB CYS A 38 1.660 -3.068 7.043 1.00 0.00 C ATOM 700 SG CYS A 38 0.357 -4.148 7.682 1.00 0.00 S ATOM 0 H CYS A 38 1.368 -1.256 8.857 1.00 0.00 H new ATOM 0 HA CYS A 38 3.128 -3.584 8.520 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.204 -2.163 6.642 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.159 -3.568 6.213 1.00 0.00 H new ATOM 0 HG CYS A 38 0.894 -5.148 8.315 1.00 0.00 H new ATOM 706 N GLY A 39 3.731 -0.565 7.449 1.00 0.00 N ATOM 707 CA GLY A 39 4.772 0.262 6.863 1.00 0.00 C ATOM 708 C GLY A 39 4.298 1.088 5.682 1.00 0.00 C ATOM 709 O GLY A 39 5.093 1.445 4.813 1.00 0.00 O ATOM 0 H GLY A 39 2.947 -0.051 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.167 0.930 7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.595 -0.377 6.542 1.00 0.00 H new ATOM 713 N ILE A 40 3.010 1.409 5.653 1.00 0.00 N ATOM 714 CA ILE A 40 2.451 2.216 4.577 1.00 0.00 C ATOM 715 C ILE A 40 2.000 3.572 5.123 1.00 0.00 C ATOM 716 O ILE A 40 2.420 3.978 6.206 1.00 0.00 O ATOM 717 CB ILE A 40 1.259 1.518 3.874 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.128 0.056 4.311 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.418 1.590 2.364 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.171 -0.578 3.868 1.00 0.00 C ATOM 0 H ILE A 40 2.334 1.123 6.362 1.00 0.00 H new ATOM 0 HA ILE A 40 3.237 2.352 3.835 1.00 0.00 H new ATOM 0 HB ILE A 40 0.351 2.045 4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.962 -0.515 3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.202 -0.001 5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.573 1.095 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.453 2.634 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.343 1.093 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.205 -1.613 4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.009 -0.028 4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.237 -0.550 2.780 1.00 0.00 H new ATOM 732 N THR A 41 1.149 4.270 4.377 1.00 0.00 N ATOM 733 CA THR A 41 0.657 5.575 4.805 1.00 0.00 C ATOM 734 C THR A 41 -0.747 5.828 4.260 1.00 0.00 C ATOM 735 O THR A 41 -1.108 5.314 3.203 1.00 0.00 O ATOM 736 CB THR A 41 1.615 6.680 4.342 1.00 0.00 C ATOM 737 OG1 THR A 41 2.768 6.124 3.733 1.00 0.00 O ATOM 738 CG2 THR A 41 2.087 7.578 5.466 1.00 0.00 C ATOM 0 H THR A 41 0.787 3.955 3.477 1.00 0.00 H new ATOM 0 HA THR A 41 0.608 5.585 5.894 1.00 0.00 H new ATOM 0 HB THR A 41 1.039 7.277 3.635 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.365 6.845 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.761 8.336 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.228 8.063 5.929 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.612 6.982 6.212 1.00 0.00 H new ATOM 746 N PRO A 42 -1.563 6.627 4.975 1.00 0.00 N ATOM 747 CA PRO A 42 -2.930 6.945 4.556 1.00 0.00 C ATOM 748 C PRO A 42 -3.003 7.350 3.087 1.00 0.00 C ATOM 749 O PRO A 42 -4.028 7.164 2.434 1.00 0.00 O ATOM 750 CB PRO A 42 -3.334 8.121 5.463 1.00 0.00 C ATOM 751 CG PRO A 42 -2.098 8.506 6.211 1.00 0.00 C ATOM 752 CD PRO A 42 -1.228 7.283 6.242 1.00 0.00 C ATOM 0 HA PRO A 42 -3.591 6.083 4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.710 8.957 4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.130 7.830 6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.588 9.334 5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.341 8.836 7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.170 7.538 6.300 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.450 6.648 7.100 1.00 0.00 H new ATOM 760 N LEU A 43 -1.905 7.897 2.575 1.00 0.00 N ATOM 761 CA LEU A 43 -1.837 8.321 1.181 1.00 0.00 C ATOM 762 C LEU A 43 -1.463 7.146 0.282 1.00 0.00 C ATOM 763 O LEU A 43 -1.849 7.091 -0.888 1.00 0.00 O ATOM 764 CB LEU A 43 -0.816 9.449 1.018 1.00 0.00 C ATOM 765 CG LEU A 43 -0.883 10.199 -0.313 1.00 0.00 C ATOM 766 CD1 LEU A 43 -1.973 11.257 -0.274 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.464 10.829 -0.637 1.00 0.00 C ATOM 0 H LEU A 43 -1.049 8.057 3.106 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.820 8.688 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.957 10.165 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.184 9.031 1.132 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.127 9.485 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.006 11.781 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.936 10.781 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.760 11.969 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.399 11.359 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.737 11.530 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.223 10.050 -0.707 1.00 0.00 H new ATOM 779 N GLN A 44 -0.720 6.197 0.842 1.00 0.00 N ATOM 780 CA GLN A 44 -0.309 5.017 0.096 1.00 0.00 C ATOM 781 C GLN A 44 -1.434 3.998 0.083 1.00 0.00 C ATOM 782 O GLN A 44 -1.913 3.602 -0.968 1.00 0.00 O ATOM 783 CB GLN A 44 0.949 4.395 0.707 1.00 0.00 C ATOM 784 CG GLN A 44 1.938 5.415 1.240 1.00 0.00 C ATOM 785 CD GLN A 44 2.504 6.305 0.152 1.00 0.00 C ATOM 786 OE1 GLN A 44 3.065 5.823 -0.832 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.360 7.615 0.324 1.00 0.00 N ATOM 0 H GLN A 44 -0.392 6.223 1.807 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.081 5.319 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.656 3.728 1.518 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.443 3.782 -0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.446 6.034 1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.755 4.896 1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.888 7.971 1.155 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.721 8.264 -0.375 1.00 0.00 H new ATOM 796 N VAL A 45 -1.855 3.591 1.270 1.00 0.00 N ATOM 797 CA VAL A 45 -2.933 2.619 1.424 1.00 0.00 C ATOM 798 C VAL A 45 -4.026 2.783 0.369 1.00 0.00 C ATOM 799 O VAL A 45 -4.631 1.807 -0.060 1.00 0.00 O ATOM 800 CB VAL A 45 -3.560 2.741 2.813 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.561 2.306 3.865 1.00 0.00 C ATOM 802 CG2 VAL A 45 -4.019 4.168 3.066 1.00 0.00 C ATOM 0 H VAL A 45 -1.463 3.922 2.152 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.486 1.633 1.294 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.433 2.091 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.012 2.394 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.275 1.269 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.677 2.941 3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.463 4.237 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.164 4.842 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.759 4.450 2.317 1.00 0.00 H new ATOM 812 N ARG A 46 -4.274 4.014 -0.055 1.00 0.00 N ATOM 813 CA ARG A 46 -5.292 4.265 -1.063 1.00 0.00 C ATOM 814 C ARG A 46 -4.733 4.040 -2.468 1.00 0.00 C ATOM 815 O ARG A 46 -5.273 3.248 -3.235 1.00 0.00 O ATOM 816 CB ARG A 46 -5.857 5.681 -0.933 1.00 0.00 C ATOM 817 CG ARG A 46 -4.830 6.737 -0.553 1.00 0.00 C ATOM 818 CD ARG A 46 -5.020 8.022 -1.346 1.00 0.00 C ATOM 819 NE ARG A 46 -6.431 8.332 -1.573 1.00 0.00 N ATOM 820 CZ ARG A 46 -7.268 8.722 -0.614 1.00 0.00 C ATOM 821 NH1 ARG A 46 -6.842 8.855 0.637 1.00 0.00 N ATOM 822 NH2 ARG A 46 -8.534 8.983 -0.906 1.00 0.00 N ATOM 0 H ARG A 46 -3.789 4.847 0.280 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.105 3.558 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.317 5.964 -1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.648 5.676 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.908 6.953 0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.827 6.348 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.550 8.848 -0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.511 7.932 -2.306 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.795 8.244 -2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.868 8.658 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.489 9.154 1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.867 8.885 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.176 9.282 -0.172 1.00 0.00 H new ATOM 836 N VAL A 47 -3.648 4.734 -2.800 1.00 0.00 N ATOM 837 CA VAL A 47 -3.027 4.594 -4.115 1.00 0.00 C ATOM 838 C VAL A 47 -2.340 3.240 -4.264 1.00 0.00 C ATOM 839 O VAL A 47 -2.450 2.576 -5.295 1.00 0.00 O ATOM 840 CB VAL A 47 -1.983 5.700 -4.351 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.629 7.072 -4.245 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.834 5.559 -3.361 1.00 0.00 C ATOM 0 H VAL A 47 -3.182 5.396 -2.180 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.826 4.677 -4.852 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.580 5.595 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.877 7.842 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.416 7.162 -4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.058 7.196 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.102 6.347 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.218 5.642 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.359 4.587 -3.491 1.00 0.00 H new ATOM 852 N TRP A 48 -1.622 2.854 -3.222 1.00 0.00 N ATOM 853 CA TRP A 48 -0.892 1.600 -3.194 1.00 0.00 C ATOM 854 C TRP A 48 -1.841 0.407 -3.316 1.00 0.00 C ATOM 855 O TRP A 48 -1.665 -0.443 -4.188 1.00 0.00 O ATOM 856 CB TRP A 48 -0.061 1.526 -1.909 1.00 0.00 C ATOM 857 CG TRP A 48 1.397 1.281 -2.157 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.363 2.229 -2.343 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.056 0.013 -2.248 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.581 1.628 -2.544 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.419 0.268 -2.491 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.627 -1.312 -2.149 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.355 -0.753 -2.634 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.557 -2.325 -2.291 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.907 -2.041 -2.531 1.00 0.00 C ATOM 0 H TRP A 48 -1.530 3.405 -2.369 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.219 1.559 -4.050 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.176 2.458 -1.356 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.453 0.730 -1.277 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.193 3.296 -2.333 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.463 2.114 -2.706 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.588 -1.541 -1.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.397 -0.536 -2.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.237 -3.354 -2.215 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.608 -2.855 -2.637 1.00 0.00 H new ATOM 876 N PHE A 49 -2.858 0.349 -2.453 1.00 0.00 N ATOM 877 CA PHE A 49 -3.826 -0.742 -2.502 1.00 0.00 C ATOM 878 C PHE A 49 -4.628 -0.691 -3.801 1.00 0.00 C ATOM 879 O PHE A 49 -5.110 -1.711 -4.279 1.00 0.00 O ATOM 880 CB PHE A 49 -4.790 -0.680 -1.314 1.00 0.00 C ATOM 881 CG PHE A 49 -4.144 -0.844 0.038 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.851 -1.332 0.165 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.842 -0.507 1.188 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.272 -1.479 1.412 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.268 -0.651 2.434 1.00 0.00 C ATOM 886 CZ PHE A 49 -2.981 -1.137 2.548 1.00 0.00 C ATOM 0 H PHE A 49 -3.029 1.038 -1.721 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.267 -1.677 -2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.311 0.277 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.545 -1.457 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.291 -1.600 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.849 -0.126 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.266 -1.861 1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.825 -0.384 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.529 -1.250 3.522 1.00 0.00 H new ATOM 896 N ILE A 50 -4.775 0.505 -4.367 1.00 0.00 N ATOM 897 CA ILE A 50 -5.526 0.672 -5.607 1.00 0.00 C ATOM 898 C ILE A 50 -4.982 -0.251 -6.699 1.00 0.00 C ATOM 899 O ILE A 50 -5.723 -1.045 -7.281 1.00 0.00 O ATOM 900 CB ILE A 50 -5.499 2.147 -6.087 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.731 2.892 -5.565 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.427 2.242 -7.608 1.00 0.00 C ATOM 903 CD1 ILE A 50 -8.027 2.451 -6.211 1.00 0.00 C ATOM 0 H ILE A 50 -4.386 1.368 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.562 0.400 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.600 2.614 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.804 2.745 -4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.597 3.961 -5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.410 3.290 -7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.521 1.749 -7.961 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.299 1.755 -8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.855 3.022 -5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.975 2.624 -7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.185 1.389 -6.021 1.00 0.00 H new ATOM 915 N ASN A 51 -3.686 -0.144 -6.966 1.00 0.00 N ATOM 916 CA ASN A 51 -3.045 -0.971 -7.980 1.00 0.00 C ATOM 917 C ASN A 51 -2.754 -2.366 -7.434 1.00 0.00 C ATOM 918 O ASN A 51 -2.747 -3.347 -8.179 1.00 0.00 O ATOM 919 CB ASN A 51 -1.749 -0.315 -8.460 1.00 0.00 C ATOM 920 CG ASN A 51 -1.962 1.113 -8.920 1.00 0.00 C ATOM 921 OD1 ASN A 51 -2.611 1.360 -9.936 1.00 0.00 O ATOM 922 ND2 ASN A 51 -1.415 2.064 -8.172 1.00 0.00 N ATOM 0 H ASN A 51 -3.059 0.507 -6.494 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.728 -1.065 -8.825 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.017 -0.329 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.331 -0.900 -9.279 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.525 3.044 -8.432 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.885 1.814 -7.337 1.00 0.00 H new ATOM 929 N LYS A 52 -2.519 -2.447 -6.128 1.00 0.00 N ATOM 930 CA LYS A 52 -2.232 -3.722 -5.478 1.00 0.00 C ATOM 931 C LYS A 52 -3.514 -4.392 -4.989 1.00 0.00 C ATOM 932 O LYS A 52 -3.465 -5.373 -4.246 1.00 0.00 O ATOM 933 CB LYS A 52 -1.276 -3.507 -4.302 1.00 0.00 C ATOM 934 CG LYS A 52 0.172 -3.317 -4.724 1.00 0.00 C ATOM 935 CD LYS A 52 0.704 -4.534 -5.462 1.00 0.00 C ATOM 936 CE LYS A 52 2.224 -4.549 -5.489 1.00 0.00 C ATOM 937 NZ LYS A 52 2.752 -5.129 -6.754 1.00 0.00 N ATOM 0 H LYS A 52 -2.522 -1.645 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.763 -4.378 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.599 -2.633 -3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.341 -4.363 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.253 -2.439 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.786 -3.127 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.339 -5.441 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.321 -4.538 -6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.599 -3.532 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.596 -5.126 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.792 -5.121 -6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.415 -6.108 -6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.418 -4.564 -7.561 1.00 0.00 H new ATOM 951 N ARG A 53 -4.660 -3.858 -5.403 1.00 0.00 N ATOM 952 CA ARG A 53 -5.945 -4.403 -5.000 1.00 0.00 C ATOM 953 C ARG A 53 -7.089 -3.773 -5.784 1.00 0.00 C ATOM 954 O ARG A 53 -8.189 -3.617 -5.257 1.00 0.00 O ATOM 955 CB ARG A 53 -6.186 -4.175 -3.511 1.00 0.00 C ATOM 956 CG ARG A 53 -7.359 -4.978 -2.981 1.00 0.00 C ATOM 957 CD ARG A 53 -8.229 -4.153 -2.048 1.00 0.00 C ATOM 958 NE ARG A 53 -8.958 -3.109 -2.763 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.563 -2.086 -2.165 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.525 -1.962 -0.845 1.00 0.00 N ATOM 961 NH2 ARG A 53 -10.210 -1.182 -2.891 1.00 0.00 N ATOM 0 H ARG A 53 -4.721 -3.047 -6.018 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.917 -5.472 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.287 -4.442 -2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.366 -3.115 -3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.960 -5.338 -3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.989 -5.856 -2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.937 -4.807 -1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.606 -3.698 -1.278 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.006 -3.167 -3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.030 -2.653 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.991 -1.175 -0.393 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.243 -1.272 -3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.674 -0.397 -2.433 1.00 0.00 H new ATOM 975 N MET A 54 -6.832 -3.408 -7.036 1.00 0.00 N ATOM 976 CA MET A 54 -7.861 -2.795 -7.871 1.00 0.00 C ATOM 977 C MET A 54 -9.132 -3.640 -7.871 1.00 0.00 C ATOM 978 O MET A 54 -9.331 -4.485 -8.744 1.00 0.00 O ATOM 979 CB MET A 54 -7.347 -2.610 -9.300 1.00 0.00 C ATOM 980 CG MET A 54 -7.664 -1.244 -9.887 1.00 0.00 C ATOM 981 SD MET A 54 -7.444 -1.188 -11.677 1.00 0.00 S ATOM 982 CE MET A 54 -8.806 -0.128 -12.151 1.00 0.00 C ATOM 0 H MET A 54 -5.927 -3.524 -7.493 1.00 0.00 H new ATOM 0 HA MET A 54 -8.100 -1.816 -7.455 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.267 -2.760 -9.311 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.782 -3.380 -9.937 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.692 -0.978 -9.643 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.022 -0.495 -9.422 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.805 0.003 -13.233 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.747 -0.584 -11.841 1.00 0.00 H new ATOM 0 HE3 MET A 54 -8.697 0.843 -11.668 1.00 0.00 H new