USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=10 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= -1.63 K(o=-12,f=-7) USER MOD Set 1.2: A 38 CYS SG : rot -13:sc= -10.4! USER MOD Single : A 9 SER OG : rot 17:sc= 0.819 USER MOD Single : A 11 GLN : amide:sc= -0.695 K(o=-0.69,f=-0.0041) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= 1.17 (180deg=1.1) USER MOD Single : A 24 GLN : amide:sc= -3.58! K(o=-3.6!,f=-1.2) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.99! C(o=-2!,f=-9.7!) USER MOD Single : A 28 SER OG : rot 30:sc= -0.853 USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0.273 (180deg=0.228) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.00758) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0284) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 51 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -150:sc= -0.226 (180deg=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 11.971 -0.723 -0.165 1.00 0.00 N ATOM 202 CA SER A 9 12.727 -1.964 -0.012 1.00 0.00 C ATOM 203 C SER A 9 11.849 -3.160 -0.383 1.00 0.00 C ATOM 204 O SER A 9 10.701 -2.977 -0.789 1.00 0.00 O ATOM 205 CB SER A 9 13.219 -2.086 1.435 1.00 0.00 C ATOM 206 OG SER A 9 12.916 -0.918 2.179 1.00 0.00 O ATOM 0 HA SER A 9 13.589 -1.950 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.756 -2.952 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.296 -2.256 1.443 1.00 0.00 H new ATOM 0 HG SER A 9 12.231 -0.399 1.708 1.00 0.00 H new ATOM 212 N PRO A 10 12.346 -4.408 -0.242 1.00 0.00 N ATOM 213 CA PRO A 10 11.548 -5.593 -0.561 1.00 0.00 C ATOM 214 C PRO A 10 10.192 -5.538 0.128 1.00 0.00 C ATOM 215 O PRO A 10 9.221 -6.140 -0.329 1.00 0.00 O ATOM 216 CB PRO A 10 12.384 -6.766 -0.028 1.00 0.00 C ATOM 217 CG PRO A 10 13.435 -6.142 0.827 1.00 0.00 C ATOM 218 CD PRO A 10 13.679 -4.777 0.252 1.00 0.00 C ATOM 0 HA PRO A 10 11.340 -5.679 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.769 -7.458 0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.828 -7.336 -0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.106 -6.075 1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.348 -6.737 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.043 -4.077 1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.419 -4.798 -0.548 1.00 0.00 H new ATOM 226 N GLN A 11 10.137 -4.789 1.227 1.00 0.00 N ATOM 227 CA GLN A 11 8.907 -4.619 1.987 1.00 0.00 C ATOM 228 C GLN A 11 7.746 -4.284 1.063 1.00 0.00 C ATOM 229 O GLN A 11 6.600 -4.585 1.368 1.00 0.00 O ATOM 230 CB GLN A 11 9.080 -3.508 3.021 1.00 0.00 C ATOM 231 CG GLN A 11 10.056 -3.851 4.133 1.00 0.00 C ATOM 232 CD GLN A 11 10.234 -2.715 5.122 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.276 -2.930 6.333 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.338 -1.496 4.607 1.00 0.00 N ATOM 0 H GLN A 11 10.938 -4.288 1.611 1.00 0.00 H new ATOM 0 HA GLN A 11 8.687 -5.556 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.422 -2.605 2.516 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.109 -3.279 3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.703 -4.736 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.023 -4.104 3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.298 -1.364 3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.458 -0.691 5.222 1.00 0.00 H new ATOM 243 N ALA A 12 8.042 -3.664 -0.076 1.00 0.00 N ATOM 244 CA ALA A 12 6.999 -3.312 -1.030 1.00 0.00 C ATOM 245 C ALA A 12 6.020 -4.472 -1.186 1.00 0.00 C ATOM 246 O ALA A 12 4.817 -4.325 -0.967 1.00 0.00 O ATOM 247 CB ALA A 12 7.613 -2.947 -2.374 1.00 0.00 C ATOM 0 H ALA A 12 8.986 -3.398 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 12 6.455 -2.445 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.822 -2.686 -3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.282 -2.096 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.175 -3.797 -2.760 1.00 0.00 H new ATOM 253 N ARG A 13 6.560 -5.633 -1.539 1.00 0.00 N ATOM 254 CA ARG A 13 5.756 -6.835 -1.702 1.00 0.00 C ATOM 255 C ARG A 13 5.489 -7.495 -0.352 1.00 0.00 C ATOM 256 O ARG A 13 4.413 -8.045 -0.127 1.00 0.00 O ATOM 257 CB ARG A 13 6.463 -7.823 -2.635 1.00 0.00 C ATOM 258 CG ARG A 13 7.700 -8.462 -2.022 1.00 0.00 C ATOM 259 CD ARG A 13 8.753 -8.768 -3.076 1.00 0.00 C ATOM 260 NE ARG A 13 8.864 -10.201 -3.342 1.00 0.00 N ATOM 261 CZ ARG A 13 9.427 -11.069 -2.506 1.00 0.00 C ATOM 262 NH1 ARG A 13 9.934 -10.656 -1.351 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.488 -12.354 -2.825 1.00 0.00 N ATOM 0 H ARG A 13 7.555 -5.766 -1.718 1.00 0.00 H new ATOM 0 HA ARG A 13 4.801 -6.549 -2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.762 -8.608 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.748 -7.305 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.120 -7.794 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.419 -9.382 -1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.503 -8.246 -4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.718 -8.385 -2.745 1.00 0.00 H new ATOM 0 HE ARG A 13 8.487 -10.556 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.893 -9.668 -1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.364 -11.326 -0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.103 -12.678 -3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.920 -13.019 -2.183 1.00 0.00 H new ATOM 277 N ALA A 14 6.481 -7.445 0.537 1.00 0.00 N ATOM 278 CA ALA A 14 6.361 -8.046 1.863 1.00 0.00 C ATOM 279 C ALA A 14 5.293 -7.351 2.701 1.00 0.00 C ATOM 280 O ALA A 14 4.355 -7.986 3.184 1.00 0.00 O ATOM 281 CB ALA A 14 7.702 -8.005 2.578 1.00 0.00 C ATOM 0 H ALA A 14 7.378 -6.993 0.361 1.00 0.00 H new ATOM 0 HA ALA A 14 6.055 -9.084 1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.602 -8.455 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.440 -8.560 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.027 -6.970 2.683 1.00 0.00 H new ATOM 287 N PHE A 15 5.436 -6.041 2.864 1.00 0.00 N ATOM 288 CA PHE A 15 4.484 -5.256 3.632 1.00 0.00 C ATOM 289 C PHE A 15 3.084 -5.446 3.064 1.00 0.00 C ATOM 290 O PHE A 15 2.149 -5.770 3.791 1.00 0.00 O ATOM 291 CB PHE A 15 4.901 -3.770 3.646 1.00 0.00 C ATOM 292 CG PHE A 15 4.192 -2.891 2.643 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.849 -2.588 2.793 1.00 0.00 C ATOM 294 CD2 PHE A 15 4.875 -2.365 1.556 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.199 -1.783 1.878 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.228 -1.559 0.639 1.00 0.00 C ATOM 297 CZ PHE A 15 2.888 -1.268 0.801 1.00 0.00 C ATOM 0 H PHE A 15 6.207 -5.500 2.472 1.00 0.00 H new ATOM 0 HA PHE A 15 4.477 -5.601 4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.724 -3.370 4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.974 -3.709 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.303 -2.986 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.924 -2.588 1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.151 -1.557 2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.770 -1.157 -0.204 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.381 -0.638 0.085 1.00 0.00 H new ATOM 307 N LEU A 16 2.957 -5.270 1.755 1.00 0.00 N ATOM 308 CA LEU A 16 1.675 -5.449 1.091 1.00 0.00 C ATOM 309 C LEU A 16 1.244 -6.908 1.179 1.00 0.00 C ATOM 310 O LEU A 16 0.053 -7.213 1.247 1.00 0.00 O ATOM 311 CB LEU A 16 1.763 -5.011 -0.372 1.00 0.00 C ATOM 312 CG LEU A 16 0.533 -5.339 -1.226 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.389 -4.133 -1.318 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.955 -5.802 -2.612 1.00 0.00 C ATOM 0 H LEU A 16 3.723 -5.005 1.136 1.00 0.00 H new ATOM 0 HA LEU A 16 0.932 -4.828 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.930 -3.934 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.636 -5.482 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.014 -6.151 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.257 -4.384 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.718 -3.849 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.146 -3.300 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.069 -6.031 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.525 -5.012 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.573 -6.695 -2.525 1.00 0.00 H new ATOM 326 N GLU A 17 2.225 -7.807 1.187 1.00 0.00 N ATOM 327 CA GLU A 17 1.951 -9.237 1.277 1.00 0.00 C ATOM 328 C GLU A 17 1.127 -9.541 2.516 1.00 0.00 C ATOM 329 O GLU A 17 0.047 -10.118 2.424 1.00 0.00 O ATOM 330 CB GLU A 17 3.258 -10.037 1.302 1.00 0.00 C ATOM 331 CG GLU A 17 3.577 -10.716 -0.020 1.00 0.00 C ATOM 332 CD GLU A 17 4.958 -11.341 -0.035 1.00 0.00 C ATOM 333 OE1 GLU A 17 5.081 -12.519 0.363 1.00 0.00 O ATOM 334 OE2 GLU A 17 5.917 -10.654 -0.446 1.00 0.00 O ATOM 0 H GLU A 17 3.216 -7.570 1.132 1.00 0.00 H new ATOM 0 HA GLU A 17 1.381 -9.532 0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.078 -9.370 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.197 -10.793 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.831 -11.486 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.504 -9.986 -0.826 1.00 0.00 H new ATOM 341 N GLN A 18 1.640 -9.140 3.670 1.00 0.00 N ATOM 342 CA GLN A 18 0.945 -9.366 4.929 1.00 0.00 C ATOM 343 C GLN A 18 -0.298 -8.482 5.035 1.00 0.00 C ATOM 344 O GLN A 18 -1.243 -8.813 5.750 1.00 0.00 O ATOM 345 CB GLN A 18 1.876 -9.128 6.126 1.00 0.00 C ATOM 346 CG GLN A 18 2.933 -8.055 5.903 1.00 0.00 C ATOM 347 CD GLN A 18 3.102 -7.143 7.102 1.00 0.00 C ATOM 348 OE1 GLN A 18 4.220 -6.902 7.559 1.00 0.00 O ATOM 349 NE2 GLN A 18 1.992 -6.631 7.620 1.00 0.00 N ATOM 0 H GLN A 18 2.534 -8.657 3.761 1.00 0.00 H new ATOM 0 HA GLN A 18 0.627 -10.408 4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.272 -8.850 6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.375 -10.065 6.374 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.887 -8.532 5.677 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.661 -7.458 5.033 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.086 -6.857 7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.045 -6.011 8.428 1.00 0.00 H new ATOM 358 N VAL A 19 -0.297 -7.363 4.312 1.00 0.00 N ATOM 359 CA VAL A 19 -1.437 -6.447 4.324 1.00 0.00 C ATOM 360 C VAL A 19 -2.615 -7.031 3.547 1.00 0.00 C ATOM 361 O VAL A 19 -3.671 -7.312 4.113 1.00 0.00 O ATOM 362 CB VAL A 19 -1.064 -5.077 3.717 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.281 -4.169 3.626 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.034 -4.414 4.530 1.00 0.00 C ATOM 0 H VAL A 19 0.475 -7.070 3.714 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.723 -6.308 5.367 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.693 -5.247 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.989 -3.211 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.037 -4.636 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.690 -4.008 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.283 -3.450 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.311 -4.265 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.919 -5.051 4.534 1.00 0.00 H new ATOM 374 N PHE A 20 -2.418 -7.213 2.246 1.00 0.00 N ATOM 375 CA PHE A 20 -3.450 -7.768 1.374 1.00 0.00 C ATOM 376 C PHE A 20 -3.821 -9.187 1.803 1.00 0.00 C ATOM 377 O PHE A 20 -4.866 -9.713 1.422 1.00 0.00 O ATOM 378 CB PHE A 20 -2.954 -7.770 -0.074 1.00 0.00 C ATOM 379 CG PHE A 20 -3.924 -8.360 -1.059 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.066 -9.733 -1.173 1.00 0.00 C ATOM 381 CD2 PHE A 20 -4.685 -7.540 -1.878 1.00 0.00 C ATOM 382 CE1 PHE A 20 -4.951 -10.279 -2.084 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.570 -8.080 -2.792 1.00 0.00 C ATOM 384 CZ PHE A 20 -5.702 -9.451 -2.895 1.00 0.00 C ATOM 0 H PHE A 20 -1.547 -6.983 1.768 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.342 -7.146 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.731 -6.745 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.019 -8.327 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.479 -10.385 -0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.585 -6.467 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.055 -11.351 -2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.157 -7.431 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.392 -9.875 -3.609 1.00 0.00 H new ATOM 394 N ARG A 21 -2.952 -9.799 2.595 1.00 0.00 N ATOM 395 CA ARG A 21 -3.166 -11.152 3.085 1.00 0.00 C ATOM 396 C ARG A 21 -4.136 -11.147 4.264 1.00 0.00 C ATOM 397 O ARG A 21 -4.979 -12.036 4.392 1.00 0.00 O ATOM 398 CB ARG A 21 -1.812 -11.742 3.484 1.00 0.00 C ATOM 399 CG ARG A 21 -1.854 -12.859 4.515 1.00 0.00 C ATOM 400 CD ARG A 21 -0.758 -12.663 5.544 1.00 0.00 C ATOM 401 NE ARG A 21 -1.071 -13.309 6.816 1.00 0.00 N ATOM 402 CZ ARG A 21 -0.450 -13.031 7.961 1.00 0.00 C ATOM 403 NH1 ARG A 21 0.518 -12.123 7.995 1.00 0.00 N ATOM 404 NH2 ARG A 21 -0.796 -13.663 9.075 1.00 0.00 N ATOM 0 H ARG A 21 -2.082 -9.373 2.915 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.612 -11.767 2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.323 -12.120 2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.187 -10.938 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.827 -12.873 5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.732 -13.824 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.178 -13.064 5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.604 -11.597 5.709 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.808 -14.014 6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.789 -11.635 7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.990 -11.914 8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.538 -14.362 9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.320 -13.449 9.951 1.00 0.00 H new ATOM 418 N ARG A 22 -4.014 -10.137 5.120 1.00 0.00 N ATOM 419 CA ARG A 22 -4.883 -10.013 6.283 1.00 0.00 C ATOM 420 C ARG A 22 -6.337 -9.922 5.844 1.00 0.00 C ATOM 421 O ARG A 22 -7.230 -10.486 6.477 1.00 0.00 O ATOM 422 CB ARG A 22 -4.510 -8.769 7.087 1.00 0.00 C ATOM 423 CG ARG A 22 -3.380 -9.002 8.078 1.00 0.00 C ATOM 424 CD ARG A 22 -3.065 -7.743 8.872 1.00 0.00 C ATOM 425 NE ARG A 22 -4.213 -7.283 9.651 1.00 0.00 N ATOM 426 CZ ARG A 22 -5.144 -6.451 9.188 1.00 0.00 C ATOM 427 NH1 ARG A 22 -5.076 -5.988 7.946 1.00 0.00 N ATOM 428 NH2 ARG A 22 -6.149 -6.082 9.970 1.00 0.00 N ATOM 0 H ARG A 22 -3.322 -9.393 5.029 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.754 -10.896 6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.221 -7.975 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.389 -8.418 7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.654 -9.805 8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.488 -9.329 7.544 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.227 -7.937 9.542 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.751 -6.953 8.189 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.307 -7.620 10.609 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.307 -6.269 7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.793 -5.351 7.599 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.208 -6.435 10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.863 -5.445 9.617 1.00 0.00 H new ATOM 442 N LYS A 23 -6.558 -9.210 4.749 1.00 0.00 N ATOM 443 CA LYS A 23 -7.898 -9.039 4.199 1.00 0.00 C ATOM 444 C LYS A 23 -7.832 -8.391 2.814 1.00 0.00 C ATOM 445 O LYS A 23 -6.900 -8.646 2.055 1.00 0.00 O ATOM 446 CB LYS A 23 -8.769 -8.215 5.155 1.00 0.00 C ATOM 447 CG LYS A 23 -8.388 -6.745 5.224 1.00 0.00 C ATOM 448 CD LYS A 23 -9.490 -5.891 5.842 1.00 0.00 C ATOM 449 CE LYS A 23 -10.867 -6.227 5.285 1.00 0.00 C ATOM 450 NZ LYS A 23 -11.882 -5.203 5.659 1.00 0.00 N ATOM 0 H LYS A 23 -5.824 -8.739 4.220 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.357 -10.021 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.810 -8.296 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.701 -8.645 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.475 -6.635 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.169 -6.381 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.494 -6.034 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.275 -4.838 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.811 -6.303 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.181 -7.202 5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.836 -5.604 5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.736 -4.914 6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.784 -4.374 5.038 1.00 0.00 H new ATOM 464 N GLN A 24 -8.818 -7.562 2.475 1.00 0.00 N ATOM 465 CA GLN A 24 -8.837 -6.910 1.171 1.00 0.00 C ATOM 466 C GLN A 24 -9.409 -5.501 1.262 1.00 0.00 C ATOM 467 O GLN A 24 -8.828 -4.547 0.747 1.00 0.00 O ATOM 468 CB GLN A 24 -9.670 -7.728 0.178 1.00 0.00 C ATOM 469 CG GLN A 24 -9.511 -9.234 0.323 1.00 0.00 C ATOM 470 CD GLN A 24 -8.271 -9.759 -0.374 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.053 -9.493 -1.554 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.454 -10.510 0.356 1.00 0.00 N ATOM 0 H GLN A 24 -9.606 -7.329 3.080 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.806 -6.846 0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.722 -7.471 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.392 -7.440 -0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.464 -9.491 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.391 -9.730 -0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.676 -10.704 1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.605 -10.892 -0.060 1.00 0.00 H new ATOM 481 N SER A 25 -10.566 -5.387 1.897 1.00 0.00 N ATOM 482 CA SER A 25 -11.245 -4.103 2.033 1.00 0.00 C ATOM 483 C SER A 25 -10.687 -3.268 3.184 1.00 0.00 C ATOM 484 O SER A 25 -11.351 -3.085 4.206 1.00 0.00 O ATOM 485 CB SER A 25 -12.744 -4.327 2.233 1.00 0.00 C ATOM 486 OG SER A 25 -13.460 -3.108 2.129 1.00 0.00 O ATOM 0 H SER A 25 -11.057 -6.170 2.328 1.00 0.00 H new ATOM 0 HA SER A 25 -11.071 -3.545 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.112 -5.033 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.921 -4.774 3.211 1.00 0.00 H new ATOM 0 HG SER A 25 -14.416 -3.278 2.259 1.00 0.00 H new ATOM 492 N LEU A 26 -9.480 -2.742 3.005 1.00 0.00 N ATOM 493 CA LEU A 26 -8.861 -1.902 4.025 1.00 0.00 C ATOM 494 C LEU A 26 -9.541 -0.536 4.059 1.00 0.00 C ATOM 495 O LEU A 26 -9.385 0.264 3.137 1.00 0.00 O ATOM 496 CB LEU A 26 -7.362 -1.719 3.751 1.00 0.00 C ATOM 497 CG LEU A 26 -6.531 -3.005 3.620 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.154 -2.813 4.240 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.237 -4.189 4.264 1.00 0.00 C ATOM 0 H LEU A 26 -8.913 -2.881 2.168 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.982 -2.396 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.250 -1.144 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.938 -1.118 4.556 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.415 -3.219 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.578 -3.733 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.635 -2.002 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.262 -2.567 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.623 -5.083 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.396 -3.986 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.199 -4.348 3.777 1.00 0.00 H new ATOM 511 N ASN A 27 -10.302 -0.275 5.115 1.00 0.00 N ATOM 512 CA ASN A 27 -11.006 0.997 5.246 1.00 0.00 C ATOM 513 C ASN A 27 -10.101 2.065 5.860 1.00 0.00 C ATOM 514 O ASN A 27 -8.964 1.787 6.231 1.00 0.00 O ATOM 515 CB ASN A 27 -12.283 0.821 6.079 1.00 0.00 C ATOM 516 CG ASN A 27 -12.027 0.826 7.574 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.105 1.869 8.224 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.720 -0.341 8.129 1.00 0.00 N ATOM 0 H ASN A 27 -10.448 -0.922 5.890 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.289 1.333 4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.982 1.621 5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.763 -0.118 5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.538 -0.397 9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.666 -1.181 7.553 1.00 0.00 H new ATOM 525 N SER A 28 -10.616 3.288 5.958 1.00 0.00 N ATOM 526 CA SER A 28 -9.857 4.406 6.520 1.00 0.00 C ATOM 527 C SER A 28 -9.153 4.007 7.815 1.00 0.00 C ATOM 528 O SER A 28 -8.093 4.537 8.147 1.00 0.00 O ATOM 529 CB SER A 28 -10.782 5.597 6.778 1.00 0.00 C ATOM 530 OG SER A 28 -10.832 6.458 5.654 1.00 0.00 O ATOM 0 H SER A 28 -11.559 3.532 5.655 1.00 0.00 H new ATOM 0 HA SER A 28 -9.096 4.690 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.785 5.239 7.010 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.432 6.151 7.649 1.00 0.00 H new ATOM 0 HG SER A 28 -10.691 5.937 4.836 1.00 0.00 H new ATOM 536 N LYS A 29 -9.750 3.070 8.539 1.00 0.00 N ATOM 537 CA LYS A 29 -9.184 2.597 9.794 1.00 0.00 C ATOM 538 C LYS A 29 -8.034 1.632 9.540 1.00 0.00 C ATOM 539 O LYS A 29 -6.957 1.770 10.115 1.00 0.00 O ATOM 540 CB LYS A 29 -10.263 1.908 10.625 1.00 0.00 C ATOM 541 CG LYS A 29 -11.191 2.873 11.346 1.00 0.00 C ATOM 542 CD LYS A 29 -10.412 3.871 12.189 1.00 0.00 C ATOM 543 CE LYS A 29 -10.364 5.239 11.528 1.00 0.00 C ATOM 544 NZ LYS A 29 -9.774 6.270 12.426 1.00 0.00 N ATOM 0 H LYS A 29 -10.628 2.622 8.278 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.799 3.457 10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.856 1.266 9.973 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.785 1.261 11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.799 3.408 10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.876 2.313 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.874 3.957 13.173 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.397 3.505 12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.778 5.178 10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.372 5.540 11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.744 7.185 11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.357 6.359 13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.809 5.988 12.691 1.00 0.00 H new ATOM 558 N GLU A 30 -8.268 0.660 8.670 1.00 0.00 N ATOM 559 CA GLU A 30 -7.254 -0.322 8.333 1.00 0.00 C ATOM 560 C GLU A 30 -6.162 0.327 7.509 1.00 0.00 C ATOM 561 O GLU A 30 -4.990 0.041 7.683 1.00 0.00 O ATOM 562 CB GLU A 30 -7.867 -1.487 7.559 1.00 0.00 C ATOM 563 CG GLU A 30 -8.934 -2.238 8.337 1.00 0.00 C ATOM 564 CD GLU A 30 -9.002 -3.706 7.969 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.998 -4.236 7.446 1.00 0.00 O ATOM 566 OE2 GLU A 30 -10.060 -4.328 8.203 1.00 0.00 O ATOM 0 H GLU A 30 -9.156 0.532 8.184 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.826 -0.709 9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.302 -1.109 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.076 -2.183 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.733 -2.144 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.904 -1.776 8.153 1.00 0.00 H new ATOM 573 N LYS A 31 -6.555 1.216 6.616 1.00 0.00 N ATOM 574 CA LYS A 31 -5.602 1.912 5.778 1.00 0.00 C ATOM 575 C LYS A 31 -4.620 2.698 6.641 1.00 0.00 C ATOM 576 O LYS A 31 -3.448 2.832 6.303 1.00 0.00 O ATOM 577 CB LYS A 31 -6.345 2.833 4.812 1.00 0.00 C ATOM 578 CG LYS A 31 -6.531 4.247 5.328 1.00 0.00 C ATOM 579 CD LYS A 31 -7.188 5.136 4.289 1.00 0.00 C ATOM 580 CE LYS A 31 -7.624 6.466 4.884 1.00 0.00 C ATOM 581 NZ LYS A 31 -7.060 7.622 4.134 1.00 0.00 N ATOM 0 H LYS A 31 -7.529 1.472 6.454 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.033 1.188 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.799 2.870 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.324 2.404 4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.141 4.229 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.563 4.664 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.492 5.314 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.053 4.625 3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.712 6.526 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.306 6.519 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.612 8.477 4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.070 7.770 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.103 7.428 3.113 1.00 0.00 H new ATOM 595 N GLU A 32 -5.114 3.213 7.761 1.00 0.00 N ATOM 596 CA GLU A 32 -4.288 3.984 8.682 1.00 0.00 C ATOM 597 C GLU A 32 -3.658 3.072 9.732 1.00 0.00 C ATOM 598 O GLU A 32 -2.510 3.265 10.135 1.00 0.00 O ATOM 599 CB GLU A 32 -5.129 5.073 9.356 1.00 0.00 C ATOM 600 CG GLU A 32 -6.090 4.548 10.414 1.00 0.00 C ATOM 601 CD GLU A 32 -6.722 5.661 11.228 1.00 0.00 C ATOM 602 OE1 GLU A 32 -7.155 6.666 10.626 1.00 0.00 O ATOM 603 OE2 GLU A 32 -6.782 5.528 12.469 1.00 0.00 O ATOM 0 H GLU A 32 -6.086 3.110 8.054 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.486 4.458 8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.461 5.801 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.699 5.602 8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.874 3.965 9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.556 3.872 11.082 1.00 0.00 H new ATOM 610 N GLU A 33 -4.423 2.077 10.166 1.00 0.00 N ATOM 611 CA GLU A 33 -3.962 1.122 11.163 1.00 0.00 C ATOM 612 C GLU A 33 -2.953 0.157 10.553 1.00 0.00 C ATOM 613 O GLU A 33 -2.007 -0.277 11.210 1.00 0.00 O ATOM 614 CB GLU A 33 -5.155 0.344 11.713 1.00 0.00 C ATOM 615 CG GLU A 33 -6.088 1.186 12.568 1.00 0.00 C ATOM 616 CD GLU A 33 -5.811 1.040 14.052 1.00 0.00 C ATOM 617 OE1 GLU A 33 -5.867 -0.100 14.557 1.00 0.00 O ATOM 618 OE2 GLU A 33 -5.540 2.068 14.709 1.00 0.00 O ATOM 0 H GLU A 33 -5.375 1.911 9.838 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.475 1.666 11.973 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.719 -0.077 10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.789 -0.494 12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.988 2.234 12.285 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.120 0.898 12.365 1.00 0.00 H new ATOM 625 N VAL A 34 -3.171 -0.166 9.287 1.00 0.00 N ATOM 626 CA VAL A 34 -2.301 -1.073 8.553 1.00 0.00 C ATOM 627 C VAL A 34 -1.062 -0.336 8.057 1.00 0.00 C ATOM 628 O VAL A 34 0.043 -0.879 8.068 1.00 0.00 O ATOM 629 CB VAL A 34 -3.046 -1.710 7.355 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.117 -2.571 6.511 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.230 -2.533 7.846 1.00 0.00 C ATOM 0 H VAL A 34 -3.954 0.192 8.740 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.996 -1.868 9.234 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.412 -0.901 6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.675 -3.001 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.304 -1.957 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.705 -3.372 7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.745 -2.975 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.874 -3.325 8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.920 -1.889 8.392 1.00 0.00 H new ATOM 641 N ALA A 35 -1.254 0.904 7.620 1.00 0.00 N ATOM 642 CA ALA A 35 -0.150 1.714 7.117 1.00 0.00 C ATOM 643 C ALA A 35 0.890 1.996 8.200 1.00 0.00 C ATOM 644 O ALA A 35 2.075 2.153 7.906 1.00 0.00 O ATOM 645 CB ALA A 35 -0.671 3.023 6.549 1.00 0.00 C ATOM 0 H ALA A 35 -2.161 1.369 7.604 1.00 0.00 H new ATOM 0 HA ALA A 35 0.337 1.143 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.164 3.617 6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.361 2.816 5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.191 3.577 7.330 1.00 0.00 H new ATOM 651 N LYS A 36 0.441 2.083 9.446 1.00 0.00 N ATOM 652 CA LYS A 36 1.336 2.374 10.562 1.00 0.00 C ATOM 653 C LYS A 36 1.967 1.113 11.149 1.00 0.00 C ATOM 654 O LYS A 36 2.988 1.188 11.834 1.00 0.00 O ATOM 655 CB LYS A 36 0.578 3.129 11.653 1.00 0.00 C ATOM 656 CG LYS A 36 -0.483 2.292 12.351 1.00 0.00 C ATOM 657 CD LYS A 36 -1.234 3.102 13.394 1.00 0.00 C ATOM 658 CE LYS A 36 -1.741 2.223 14.525 1.00 0.00 C ATOM 659 NZ LYS A 36 -0.725 2.056 15.602 1.00 0.00 N ATOM 0 H LYS A 36 -0.536 1.957 9.710 1.00 0.00 H new ATOM 0 HA LYS A 36 2.146 2.992 10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.290 3.489 12.395 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.105 4.007 11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.186 1.905 11.613 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.014 1.431 12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.579 3.874 13.798 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.075 3.612 12.924 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.646 2.660 14.946 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.014 1.245 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.112 1.450 16.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.130 1.615 15.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.483 2.987 15.998 1.00 0.00 H new ATOM 673 N LYS A 37 1.361 -0.041 10.896 1.00 0.00 N ATOM 674 CA LYS A 37 1.881 -1.298 11.426 1.00 0.00 C ATOM 675 C LYS A 37 2.573 -2.119 10.343 1.00 0.00 C ATOM 676 O LYS A 37 3.434 -2.948 10.638 1.00 0.00 O ATOM 677 CB LYS A 37 0.753 -2.115 12.058 1.00 0.00 C ATOM 678 CG LYS A 37 -0.278 -2.604 11.056 1.00 0.00 C ATOM 679 CD LYS A 37 -1.554 -3.060 11.747 1.00 0.00 C ATOM 680 CE LYS A 37 -1.290 -4.215 12.698 1.00 0.00 C ATOM 681 NZ LYS A 37 -0.924 -5.463 11.973 1.00 0.00 N ATOM 0 H LYS A 37 0.516 -0.134 10.332 1.00 0.00 H new ATOM 0 HA LYS A 37 2.620 -1.054 12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.183 -2.974 12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.254 -1.507 12.813 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.510 -1.805 10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.138 -3.428 10.477 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.989 -2.226 12.298 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.286 -3.364 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.486 -3.944 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.178 -4.395 13.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.868 -6.253 12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.646 -5.672 11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.001 -5.338 11.510 1.00 0.00 H new ATOM 695 N CYS A 38 2.189 -1.894 9.092 1.00 0.00 N ATOM 696 CA CYS A 38 2.774 -2.627 7.977 1.00 0.00 C ATOM 697 C CYS A 38 3.884 -1.823 7.307 1.00 0.00 C ATOM 698 O CYS A 38 4.805 -2.393 6.723 1.00 0.00 O ATOM 699 CB CYS A 38 1.694 -2.995 6.963 1.00 0.00 C ATOM 700 SG CYS A 38 0.406 -4.071 7.635 1.00 0.00 S ATOM 0 H CYS A 38 1.478 -1.213 8.825 1.00 0.00 H new ATOM 0 HA CYS A 38 3.217 -3.543 8.369 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.233 -2.081 6.588 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.161 -3.489 6.111 1.00 0.00 H new ATOM 0 HG CYS A 38 0.794 -4.549 8.780 1.00 0.00 H new ATOM 706 N GLY A 39 3.804 -0.498 7.405 1.00 0.00 N ATOM 707 CA GLY A 39 4.827 0.344 6.810 1.00 0.00 C ATOM 708 C GLY A 39 4.322 1.174 5.646 1.00 0.00 C ATOM 709 O GLY A 39 5.100 1.573 4.780 1.00 0.00 O ATOM 0 H GLY A 39 3.055 0.004 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.229 1.010 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.650 -0.283 6.469 1.00 0.00 H new ATOM 713 N ILE A 40 3.025 1.453 5.631 1.00 0.00 N ATOM 714 CA ILE A 40 2.435 2.259 4.572 1.00 0.00 C ATOM 715 C ILE A 40 1.959 3.594 5.145 1.00 0.00 C ATOM 716 O ILE A 40 2.354 3.974 6.247 1.00 0.00 O ATOM 717 CB ILE A 40 1.253 1.542 3.872 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.139 0.081 4.314 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.411 1.608 2.359 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.158 -0.566 3.883 1.00 0.00 C ATOM 0 H ILE A 40 2.363 1.134 6.339 1.00 0.00 H new ATOM 0 HA ILE A 40 3.207 2.424 3.821 1.00 0.00 H new ATOM 0 HB ILE A 40 0.339 2.059 4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.975 -0.484 3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.222 0.028 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.572 1.100 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.432 2.650 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.342 1.121 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.180 -1.601 4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.997 -0.022 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.233 -0.542 2.796 1.00 0.00 H new ATOM 732 N THR A 41 1.117 4.304 4.403 1.00 0.00 N ATOM 733 CA THR A 41 0.607 5.591 4.866 1.00 0.00 C ATOM 734 C THR A 41 -0.799 5.851 4.332 1.00 0.00 C ATOM 735 O THR A 41 -1.201 5.287 3.315 1.00 0.00 O ATOM 736 CB THR A 41 1.549 6.723 4.443 1.00 0.00 C ATOM 737 OG1 THR A 41 2.745 6.202 3.888 1.00 0.00 O ATOM 738 CG2 THR A 41 1.938 7.636 5.585 1.00 0.00 C ATOM 0 H THR A 41 0.775 4.015 3.487 1.00 0.00 H new ATOM 0 HA THR A 41 0.557 5.559 5.954 1.00 0.00 H new ATOM 0 HB THR A 41 0.990 7.301 3.707 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.332 6.941 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.606 8.415 5.217 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.043 8.094 6.006 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.446 7.057 6.356 1.00 0.00 H new ATOM 746 N PRO A 42 -1.568 6.719 5.015 1.00 0.00 N ATOM 747 CA PRO A 42 -2.935 7.058 4.605 1.00 0.00 C ATOM 748 C PRO A 42 -3.016 7.453 3.135 1.00 0.00 C ATOM 749 O PRO A 42 -4.068 7.335 2.509 1.00 0.00 O ATOM 750 CB PRO A 42 -3.290 8.244 5.502 1.00 0.00 C ATOM 751 CG PRO A 42 -2.447 8.064 6.716 1.00 0.00 C ATOM 752 CD PRO A 42 -1.165 7.441 6.238 1.00 0.00 C ATOM 0 HA PRO A 42 -3.615 6.212 4.708 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.076 9.192 5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.351 8.247 5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.258 9.019 7.206 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.944 7.424 7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.406 8.195 6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.745 6.765 6.983 1.00 0.00 H new ATOM 760 N LEU A 43 -1.898 7.922 2.591 1.00 0.00 N ATOM 761 CA LEU A 43 -1.838 8.332 1.192 1.00 0.00 C ATOM 762 C LEU A 43 -1.443 7.157 0.301 1.00 0.00 C ATOM 763 O LEU A 43 -1.820 7.095 -0.872 1.00 0.00 O ATOM 764 CB LEU A 43 -0.841 9.479 1.016 1.00 0.00 C ATOM 765 CG LEU A 43 -0.928 10.214 -0.323 1.00 0.00 C ATOM 766 CD1 LEU A 43 -2.353 10.676 -0.587 1.00 0.00 C ATOM 767 CD2 LEU A 43 0.030 11.396 -0.345 1.00 0.00 C ATOM 0 H LEU A 43 -1.020 8.028 3.098 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.829 8.675 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.994 10.200 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.168 9.084 1.131 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.640 9.523 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.395 11.197 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.016 9.812 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.670 11.351 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.045 11.907 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.228 12.088 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.050 11.040 -0.202 1.00 0.00 H new ATOM 779 N GLN A 44 -0.692 6.218 0.868 1.00 0.00 N ATOM 780 CA GLN A 44 -0.261 5.043 0.126 1.00 0.00 C ATOM 781 C GLN A 44 -1.376 4.012 0.101 1.00 0.00 C ATOM 782 O GLN A 44 -1.840 3.609 -0.955 1.00 0.00 O ATOM 783 CB GLN A 44 0.997 4.436 0.747 1.00 0.00 C ATOM 784 CG GLN A 44 1.963 5.465 1.310 1.00 0.00 C ATOM 785 CD GLN A 44 2.481 6.421 0.252 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.915 6.001 -0.821 1.00 0.00 O ATOM 787 NE2 GLN A 44 2.438 7.714 0.550 1.00 0.00 N ATOM 0 H GLN A 44 -0.371 6.249 1.836 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.026 5.347 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.704 3.753 1.544 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.513 3.842 -0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.465 6.034 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.805 4.951 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.070 8.018 1.452 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.773 8.404 -0.123 1.00 0.00 H new ATOM 796 N VAL A 45 -1.807 3.602 1.284 1.00 0.00 N ATOM 797 CA VAL A 45 -2.878 2.622 1.430 1.00 0.00 C ATOM 798 C VAL A 45 -3.964 2.776 0.367 1.00 0.00 C ATOM 799 O VAL A 45 -4.561 1.796 -0.062 1.00 0.00 O ATOM 800 CB VAL A 45 -3.518 2.745 2.811 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.525 2.319 3.873 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.984 4.172 3.055 1.00 0.00 C ATOM 0 H VAL A 45 -1.427 3.937 2.169 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.422 1.640 1.305 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.389 2.091 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.985 2.408 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.231 1.283 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.644 2.959 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.438 4.243 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.131 4.848 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.718 4.450 2.298 1.00 0.00 H new ATOM 812 N ARG A 46 -4.214 4.004 -0.065 1.00 0.00 N ATOM 813 CA ARG A 46 -5.227 4.245 -1.082 1.00 0.00 C ATOM 814 C ARG A 46 -4.654 4.026 -2.481 1.00 0.00 C ATOM 815 O ARG A 46 -5.155 3.198 -3.239 1.00 0.00 O ATOM 816 CB ARG A 46 -5.809 5.657 -0.961 1.00 0.00 C ATOM 817 CG ARG A 46 -4.824 6.707 -0.477 1.00 0.00 C ATOM 818 CD ARG A 46 -5.084 8.066 -1.113 1.00 0.00 C ATOM 819 NE ARG A 46 -6.491 8.260 -1.459 1.00 0.00 N ATOM 820 CZ ARG A 46 -7.468 8.374 -0.561 1.00 0.00 C ATOM 821 NH1 ARG A 46 -7.197 8.318 0.737 1.00 0.00 N ATOM 822 NH2 ARG A 46 -8.720 8.545 -0.963 1.00 0.00 N ATOM 0 H ARG A 46 -3.735 4.841 0.269 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.034 3.530 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.195 5.961 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.656 5.629 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.891 6.795 0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.808 6.386 -0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.770 8.852 -0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.475 8.166 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.739 8.311 -2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.236 8.187 1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.950 8.406 1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.934 8.589 -1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.469 8.632 -0.276 1.00 0.00 H new ATOM 836 N VAL A 47 -3.600 4.763 -2.818 1.00 0.00 N ATOM 837 CA VAL A 47 -2.968 4.633 -4.130 1.00 0.00 C ATOM 838 C VAL A 47 -2.266 3.285 -4.274 1.00 0.00 C ATOM 839 O VAL A 47 -2.358 2.626 -5.309 1.00 0.00 O ATOM 840 CB VAL A 47 -1.936 5.751 -4.358 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.591 7.114 -4.211 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.770 5.601 -3.390 1.00 0.00 C ATOM 0 H VAL A 47 -3.166 5.454 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.761 4.710 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.548 5.668 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.848 7.894 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.391 7.214 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.005 7.212 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.048 6.399 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.138 5.661 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.288 4.636 -3.547 1.00 0.00 H new ATOM 852 N TRP A 48 -1.560 2.899 -3.224 1.00 0.00 N ATOM 853 CA TRP A 48 -0.823 1.650 -3.197 1.00 0.00 C ATOM 854 C TRP A 48 -1.766 0.454 -3.328 1.00 0.00 C ATOM 855 O TRP A 48 -1.589 -0.384 -4.213 1.00 0.00 O ATOM 856 CB TRP A 48 0.003 1.571 -1.910 1.00 0.00 C ATOM 857 CG TRP A 48 1.446 1.252 -2.155 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.461 2.151 -2.326 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.038 -0.046 -2.266 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.647 1.490 -2.534 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.414 0.141 -2.501 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.541 -1.349 -2.188 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.295 -0.926 -2.660 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.416 -2.407 -2.345 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.780 -2.189 -2.578 1.00 0.00 C ATOM 0 H TRP A 48 -1.483 3.445 -2.366 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.145 1.619 -4.050 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.068 2.522 -1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.425 0.810 -1.257 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.347 3.225 -2.301 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.553 1.932 -2.688 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.491 -1.527 -2.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.347 -0.761 -2.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.042 -3.419 -2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.438 -3.037 -2.695 1.00 0.00 H new ATOM 876 N PHE A 49 -2.777 0.380 -2.464 1.00 0.00 N ATOM 877 CA PHE A 49 -3.739 -0.717 -2.527 1.00 0.00 C ATOM 878 C PHE A 49 -4.522 -0.664 -3.835 1.00 0.00 C ATOM 879 O PHE A 49 -4.965 -1.688 -4.340 1.00 0.00 O ATOM 880 CB PHE A 49 -4.717 -0.668 -1.350 1.00 0.00 C ATOM 881 CG PHE A 49 -4.082 -0.841 0.006 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.780 -1.303 0.138 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.799 -0.538 1.152 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.209 -1.456 1.388 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.234 -0.690 2.401 1.00 0.00 C ATOM 886 CZ PHE A 49 -2.939 -1.149 2.521 1.00 0.00 C ATOM 0 H PHE A 49 -2.950 1.058 -1.721 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.177 -1.649 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.242 0.287 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.467 -1.447 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.207 -1.546 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.814 -0.178 1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.194 -1.815 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.806 -0.450 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.496 -1.268 3.499 1.00 0.00 H new ATOM 896 N ILE A 50 -4.693 0.537 -4.383 1.00 0.00 N ATOM 897 CA ILE A 50 -5.426 0.702 -5.636 1.00 0.00 C ATOM 898 C ILE A 50 -4.853 -0.213 -6.719 1.00 0.00 C ATOM 899 O ILE A 50 -5.580 -0.989 -7.342 1.00 0.00 O ATOM 900 CB ILE A 50 -5.401 2.178 -6.110 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.634 2.921 -5.585 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.330 2.276 -7.632 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.928 2.501 -6.251 1.00 0.00 C ATOM 0 H ILE A 50 -4.337 1.405 -3.982 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.464 0.422 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.503 2.645 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.718 2.754 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.491 3.992 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.314 3.325 -7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.424 1.785 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.201 1.788 -8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.756 3.069 -5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.865 2.694 -7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.095 1.437 -6.083 1.00 0.00 H new ATOM 915 N ASN A 51 -3.544 -0.124 -6.927 1.00 0.00 N ATOM 916 CA ASN A 51 -2.867 -0.948 -7.923 1.00 0.00 C ATOM 917 C ASN A 51 -2.634 -2.356 -7.387 1.00 0.00 C ATOM 918 O ASN A 51 -2.620 -3.326 -8.144 1.00 0.00 O ATOM 919 CB ASN A 51 -1.534 -0.311 -8.322 1.00 0.00 C ATOM 920 CG ASN A 51 -1.701 0.777 -9.365 1.00 0.00 C ATOM 921 OD1 ASN A 51 -2.623 0.735 -10.180 1.00 0.00 O ATOM 922 ND2 ASN A 51 -0.807 1.759 -9.343 1.00 0.00 N ATOM 0 H ASN A 51 -2.929 0.511 -6.418 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.505 -1.013 -8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.056 0.109 -7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.868 -1.082 -8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.868 2.520 -10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.059 1.753 -8.649 1.00 0.00 H new ATOM 929 N LYS A 52 -2.457 -2.459 -6.074 1.00 0.00 N ATOM 930 CA LYS A 52 -2.231 -3.749 -5.428 1.00 0.00 C ATOM 931 C LYS A 52 -3.544 -4.344 -4.924 1.00 0.00 C ATOM 932 O LYS A 52 -3.547 -5.221 -4.061 1.00 0.00 O ATOM 933 CB LYS A 52 -1.253 -3.592 -4.262 1.00 0.00 C ATOM 934 CG LYS A 52 0.207 -3.502 -4.686 1.00 0.00 C ATOM 935 CD LYS A 52 0.582 -4.608 -5.662 1.00 0.00 C ATOM 936 CE LYS A 52 2.088 -4.727 -5.819 1.00 0.00 C ATOM 937 NZ LYS A 52 2.469 -5.904 -6.648 1.00 0.00 N ATOM 0 H LYS A 52 -2.466 -1.664 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.804 -4.427 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.514 -2.695 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.373 -4.438 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.392 -2.532 -5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.846 -3.563 -3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.176 -5.557 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.129 -4.407 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.478 -3.818 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.550 -4.811 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.505 -5.950 -6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.119 -6.774 -6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.050 -5.812 -7.595 1.00 0.00 H new ATOM 951 N ARG A 53 -4.657 -3.857 -5.465 1.00 0.00 N ATOM 952 CA ARG A 53 -5.974 -4.333 -5.066 1.00 0.00 C ATOM 953 C ARG A 53 -7.070 -3.655 -5.882 1.00 0.00 C ATOM 954 O ARG A 53 -8.176 -3.443 -5.387 1.00 0.00 O ATOM 955 CB ARG A 53 -6.214 -4.067 -3.580 1.00 0.00 C ATOM 956 CG ARG A 53 -7.393 -4.844 -3.015 1.00 0.00 C ATOM 957 CD ARG A 53 -8.014 -4.127 -1.828 1.00 0.00 C ATOM 958 NE ARG A 53 -8.470 -2.783 -2.178 1.00 0.00 N ATOM 959 CZ ARG A 53 -8.750 -1.838 -1.282 1.00 0.00 C ATOM 960 NH1 ARG A 53 -8.621 -2.086 0.014 1.00 0.00 N ATOM 961 NH2 ARG A 53 -9.160 -0.643 -1.685 1.00 0.00 N ATOM 0 H ARG A 53 -4.671 -3.132 -6.182 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.007 -5.407 -5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.315 -4.327 -3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.385 -3.001 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.145 -4.983 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.063 -5.837 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.856 -4.709 -1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.285 -4.064 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.580 -2.556 -3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.306 -3.004 0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.837 -1.359 0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.261 -0.448 -2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.374 0.081 -0.999 1.00 0.00 H new ATOM 975 N MET A 54 -6.760 -3.310 -7.130 1.00 0.00 N ATOM 976 CA MET A 54 -7.728 -2.653 -8.002 1.00 0.00 C ATOM 977 C MET A 54 -9.025 -3.456 -8.078 1.00 0.00 C ATOM 978 O MET A 54 -9.208 -4.278 -8.976 1.00 0.00 O ATOM 979 CB MET A 54 -7.142 -2.467 -9.404 1.00 0.00 C ATOM 980 CG MET A 54 -7.341 -1.068 -9.965 1.00 0.00 C ATOM 981 SD MET A 54 -7.872 -1.077 -11.689 1.00 0.00 S ATOM 982 CE MET A 54 -6.767 -2.308 -12.378 1.00 0.00 C ATOM 0 H MET A 54 -5.849 -3.474 -7.558 1.00 0.00 H new ATOM 0 HA MET A 54 -7.954 -1.674 -7.580 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.075 -2.690 -9.376 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.601 -3.189 -10.079 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.083 -0.542 -9.364 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.408 -0.511 -9.880 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.573 -2.077 -13.425 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.828 -2.304 -11.825 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.228 -3.293 -12.303 1.00 0.00 H new