USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot 180:sc= -0.0319 USER MOD Set 1.2: A 47 GLN : amide:sc= -0.0517 K(o=-0.084,f=-3.1!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= 0.127 F(o=-1.3,f=0.13) USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= 0.906 (180deg=0.805) USER MOD Single : A 24 SER OG : rot 73:sc= 1.2 USER MOD Single : A 25 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0.022) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.39 F(o=-0.98,f=-0.39) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc=-0.000353 (180deg=-0.0611) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc=-8.82e-05 (180deg=-0.0632) USER MOD Single : A 40 ASN : amide:sc= -0.105 K(o=-0.11,f=-0.66) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00735) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.715 K(o=0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 8.142 0.569 -8.098 1.00 4.21 N ATOM 182 CA SER A 12 8.470 1.764 -8.921 1.00 72.12 C ATOM 183 C SER A 12 8.213 3.053 -8.115 1.00 74.35 C ATOM 184 O SER A 12 7.418 3.031 -7.182 1.00 64.40 O ATOM 185 CB SER A 12 7.616 1.774 -10.216 1.00 24.51 C ATOM 186 OG SER A 12 7.733 3.003 -10.924 1.00 72.11 O ATOM 0 HA SER A 12 9.525 1.720 -9.192 1.00 72.12 H new ATOM 0 HB2 SER A 12 7.927 0.953 -10.862 1.00 24.51 H new ATOM 0 HB3 SER A 12 6.570 1.601 -9.962 1.00 24.51 H new ATOM 0 HG SER A 12 7.182 2.968 -11.733 1.00 72.11 H new ATOM 192 N HIS A 13 8.881 4.170 -8.487 1.00 33.15 N ATOM 193 CA HIS A 13 8.680 5.495 -7.838 1.00 72.22 C ATOM 194 C HIS A 13 7.215 5.976 -7.997 1.00 11.11 C ATOM 195 O HIS A 13 6.609 6.459 -7.037 1.00 4.21 O ATOM 196 CB HIS A 13 9.670 6.550 -8.409 1.00 21.54 C ATOM 197 CG HIS A 13 9.527 7.931 -7.802 1.00 61.21 C ATOM 198 ND1 HIS A 13 10.040 8.270 -6.569 1.00 13.33 N ATOM 199 CD2 HIS A 13 8.907 9.055 -8.260 1.00 41.13 C ATOM 200 CE1 HIS A 13 9.746 9.524 -6.296 1.00 0.54 C ATOM 201 NE2 HIS A 13 9.063 10.019 -7.303 1.00 24.24 N ATOM 0 H HIS A 13 9.570 4.183 -9.239 1.00 33.15 H new ATOM 0 HA HIS A 13 8.884 5.379 -6.774 1.00 72.22 H new ATOM 0 HB2 HIS A 13 10.689 6.199 -8.248 1.00 21.54 H new ATOM 0 HB3 HIS A 13 9.524 6.623 -9.487 1.00 21.54 H new ATOM 0 HD2 HIS A 13 8.390 9.164 -9.202 1.00 41.13 H new ATOM 0 HE1 HIS A 13 10.020 10.056 -5.397 1.00 0.54 H new ATOM 0 HE2 HIS A 13 8.705 10.972 -7.362 1.00 24.24 H new ATOM 210 N THR A 14 6.661 5.799 -9.215 1.00 11.04 N ATOM 211 CA THR A 14 5.260 6.157 -9.538 1.00 44.11 C ATOM 212 C THR A 14 4.273 5.286 -8.726 1.00 24.24 C ATOM 213 O THR A 14 3.231 5.759 -8.268 1.00 53.20 O ATOM 214 CB THR A 14 4.980 5.978 -11.071 1.00 10.34 C ATOM 215 OG1 THR A 14 5.925 6.755 -11.828 1.00 54.32 O ATOM 216 CG2 THR A 14 3.555 6.407 -11.468 1.00 74.22 C ATOM 0 H THR A 14 7.172 5.403 -10.004 1.00 11.04 H new ATOM 0 HA THR A 14 5.113 7.204 -9.271 1.00 44.11 H new ATOM 0 HB THR A 14 5.082 4.915 -11.291 1.00 10.34 H new ATOM 0 HG1 THR A 14 5.750 6.641 -12.785 1.00 54.32 H new ATOM 0 HG21 THR A 14 3.417 6.262 -12.539 1.00 74.22 H new ATOM 0 HG22 THR A 14 2.828 5.804 -10.923 1.00 74.22 H new ATOM 0 HG23 THR A 14 3.410 7.459 -11.223 1.00 74.22 H new ATOM 224 N GLN A 15 4.648 4.008 -8.553 1.00 74.30 N ATOM 225 CA GLN A 15 3.884 3.016 -7.775 1.00 52.41 C ATOM 226 C GLN A 15 3.864 3.353 -6.267 1.00 71.43 C ATOM 227 O GLN A 15 2.846 3.153 -5.600 1.00 42.25 O ATOM 228 CB GLN A 15 4.503 1.626 -8.023 1.00 61.14 C ATOM 229 CG GLN A 15 3.827 0.449 -7.299 1.00 64.23 C ATOM 230 CD GLN A 15 4.401 -0.892 -7.735 1.00 45.42 C ATOM 231 OE1 GLN A 15 3.601 -1.912 -7.733 1.00 31.11 O flip ATOM 232 NE2 GLN A 15 5.565 -0.999 -8.090 1.00 71.23 N flip ATOM 0 H GLN A 15 5.504 3.628 -8.956 1.00 74.30 H new ATOM 0 HA GLN A 15 2.845 3.028 -8.104 1.00 52.41 H new ATOM 0 HB2 GLN A 15 4.484 1.427 -9.095 1.00 61.14 H new ATOM 0 HB3 GLN A 15 5.551 1.658 -7.724 1.00 61.14 H new ATOM 0 HG2 GLN A 15 3.953 0.565 -6.222 1.00 64.23 H new ATOM 0 HG3 GLN A 15 2.756 0.467 -7.499 1.00 64.23 H new ATOM 0 HE21 GLN A 15 6.177 -0.183 -8.084 1.00 71.23 H new ATOM 0 HE22 GLN A 15 5.925 -1.904 -8.393 1.00 71.23 H new ATOM 241 N VAL A 16 5.000 3.858 -5.744 1.00 44.13 N ATOM 242 CA VAL A 16 5.091 4.354 -4.354 1.00 50.13 C ATOM 243 C VAL A 16 4.216 5.614 -4.168 1.00 32.31 C ATOM 244 O VAL A 16 3.600 5.770 -3.124 1.00 64.54 O ATOM 245 CB VAL A 16 6.581 4.648 -3.918 1.00 34.43 C ATOM 246 CG1 VAL A 16 6.652 5.262 -2.490 1.00 34.42 C ATOM 247 CG2 VAL A 16 7.451 3.365 -4.006 1.00 64.44 C ATOM 0 H VAL A 16 5.873 3.934 -6.267 1.00 44.13 H new ATOM 0 HA VAL A 16 4.716 3.561 -3.707 1.00 50.13 H new ATOM 0 HB VAL A 16 6.982 5.384 -4.615 1.00 34.43 H new ATOM 0 HG11 VAL A 16 7.693 5.450 -2.226 1.00 34.42 H new ATOM 0 HG12 VAL A 16 6.097 6.200 -2.469 1.00 34.42 H new ATOM 0 HG13 VAL A 16 6.216 4.567 -1.773 1.00 34.42 H new ATOM 0 HG21 VAL A 16 8.472 3.596 -3.700 1.00 64.44 H new ATOM 0 HG22 VAL A 16 7.039 2.600 -3.347 1.00 64.44 H new ATOM 0 HG23 VAL A 16 7.454 2.997 -5.032 1.00 64.44 H new ATOM 257 N ILE A 17 4.149 6.486 -5.200 1.00 25.52 N ATOM 258 CA ILE A 17 3.245 7.664 -5.201 1.00 44.01 C ATOM 259 C ILE A 17 1.772 7.215 -5.048 1.00 23.31 C ATOM 260 O ILE A 17 1.034 7.777 -4.248 1.00 5.41 O ATOM 261 CB ILE A 17 3.415 8.527 -6.515 1.00 24.54 C ATOM 262 CG1 ILE A 17 4.863 9.115 -6.605 1.00 62.44 C ATOM 263 CG2 ILE A 17 2.352 9.658 -6.599 1.00 43.05 C ATOM 264 CD1 ILE A 17 5.178 9.860 -7.897 1.00 1.33 C ATOM 0 H ILE A 17 4.711 6.397 -6.046 1.00 25.52 H new ATOM 0 HA ILE A 17 3.519 8.289 -4.351 1.00 44.01 H new ATOM 0 HB ILE A 17 3.257 7.866 -7.367 1.00 24.54 H new ATOM 0 HG12 ILE A 17 5.016 9.794 -5.766 1.00 62.44 H new ATOM 0 HG13 ILE A 17 5.577 8.300 -6.490 1.00 62.44 H new ATOM 0 HG21 ILE A 17 2.501 10.230 -7.515 1.00 43.05 H new ATOM 0 HG22 ILE A 17 1.354 9.220 -6.603 1.00 43.05 H new ATOM 0 HG23 ILE A 17 2.455 10.319 -5.738 1.00 43.05 H new ATOM 0 HD11 ILE A 17 6.203 10.229 -7.863 1.00 1.33 H new ATOM 0 HD12 ILE A 17 5.063 9.184 -8.744 1.00 1.33 H new ATOM 0 HD13 ILE A 17 4.493 10.701 -8.009 1.00 1.33 H new ATOM 276 N GLU A 18 1.387 6.171 -5.807 1.00 41.04 N ATOM 277 CA GLU A 18 0.055 5.526 -5.720 1.00 4.53 C ATOM 278 C GLU A 18 -0.230 4.981 -4.295 1.00 40.03 C ATOM 279 O GLU A 18 -1.301 5.221 -3.724 1.00 12.32 O ATOM 280 CB GLU A 18 -0.009 4.369 -6.745 1.00 54.31 C ATOM 281 CG GLU A 18 0.117 4.786 -8.227 1.00 63.21 C ATOM 282 CD GLU A 18 -1.163 5.408 -8.807 1.00 3.10 C ATOM 283 OE1 GLU A 18 -1.419 6.604 -8.571 1.00 75.30 O ATOM 284 OE2 GLU A 18 -1.926 4.697 -9.492 1.00 61.52 O ATOM 0 H GLU A 18 1.995 5.745 -6.506 1.00 41.04 H new ATOM 0 HA GLU A 18 -0.705 6.275 -5.942 1.00 4.53 H new ATOM 0 HB2 GLU A 18 0.786 3.660 -6.516 1.00 54.31 H new ATOM 0 HB3 GLU A 18 -0.954 3.842 -6.613 1.00 54.31 H new ATOM 0 HG2 GLU A 18 0.934 5.501 -8.325 1.00 63.21 H new ATOM 0 HG3 GLU A 18 0.386 3.911 -8.819 1.00 63.21 H new ATOM 291 N LEU A 19 0.748 4.241 -3.746 1.00 30.43 N ATOM 292 CA LEU A 19 0.718 3.734 -2.358 1.00 34.11 C ATOM 293 C LEU A 19 0.543 4.889 -1.332 1.00 2.44 C ATOM 294 O LEU A 19 -0.204 4.752 -0.365 1.00 65.43 O ATOM 295 CB LEU A 19 2.031 2.955 -2.080 1.00 12.02 C ATOM 296 CG LEU A 19 2.170 1.546 -2.744 1.00 53.05 C ATOM 297 CD1 LEU A 19 3.643 1.091 -2.791 1.00 21.12 C ATOM 298 CD2 LEU A 19 1.294 0.500 -2.012 1.00 14.23 C ATOM 0 H LEU A 19 1.590 3.974 -4.255 1.00 30.43 H new ATOM 0 HA LEU A 19 -0.139 3.070 -2.244 1.00 34.11 H new ATOM 0 HB2 LEU A 19 2.868 3.570 -2.411 1.00 12.02 H new ATOM 0 HB3 LEU A 19 2.132 2.834 -1.001 1.00 12.02 H new ATOM 0 HG LEU A 19 1.814 1.628 -3.771 1.00 53.05 H new ATOM 0 HD11 LEU A 19 3.705 0.108 -3.258 1.00 21.12 H new ATOM 0 HD12 LEU A 19 4.226 1.806 -3.371 1.00 21.12 H new ATOM 0 HD13 LEU A 19 4.040 1.037 -1.777 1.00 21.12 H new ATOM 0 HD21 LEU A 19 1.409 -0.471 -2.493 1.00 14.23 H new ATOM 0 HD22 LEU A 19 1.607 0.428 -0.970 1.00 14.23 H new ATOM 0 HD23 LEU A 19 0.249 0.806 -2.056 1.00 14.23 H new ATOM 310 N GLU A 20 1.240 6.025 -1.577 1.00 34.24 N ATOM 311 CA GLU A 20 1.191 7.230 -0.716 1.00 61.42 C ATOM 312 C GLU A 20 -0.141 7.994 -0.863 1.00 40.23 C ATOM 313 O GLU A 20 -0.561 8.670 0.069 1.00 63.33 O ATOM 314 CB GLU A 20 2.380 8.181 -1.009 1.00 13.43 C ATOM 315 CG GLU A 20 3.761 7.636 -0.603 1.00 74.23 C ATOM 316 CD GLU A 20 4.902 8.627 -0.877 1.00 31.24 C ATOM 317 OE1 GLU A 20 5.401 8.681 -2.024 1.00 31.01 O ATOM 318 OE2 GLU A 20 5.279 9.381 0.045 1.00 70.23 O ATOM 0 H GLU A 20 1.856 6.131 -2.383 1.00 34.24 H new ATOM 0 HA GLU A 20 1.267 6.879 0.313 1.00 61.42 H new ATOM 0 HB2 GLU A 20 2.393 8.405 -2.076 1.00 13.43 H new ATOM 0 HB3 GLU A 20 2.210 9.123 -0.488 1.00 13.43 H new ATOM 0 HG2 GLU A 20 3.750 7.388 0.458 1.00 74.23 H new ATOM 0 HG3 GLU A 20 3.954 6.710 -1.145 1.00 74.23 H new ATOM 325 N ARG A 21 -0.787 7.889 -2.037 1.00 43.40 N ATOM 326 CA ARG A 21 -2.142 8.442 -2.268 1.00 34.21 C ATOM 327 C ARG A 21 -3.177 7.731 -1.368 1.00 51.35 C ATOM 328 O ARG A 21 -4.133 8.348 -0.899 1.00 21.41 O ATOM 329 CB ARG A 21 -2.528 8.323 -3.770 1.00 70.22 C ATOM 330 CG ARG A 21 -1.715 9.249 -4.701 1.00 41.31 C ATOM 331 CD ARG A 21 -2.029 9.049 -6.195 1.00 12.13 C ATOM 332 NE ARG A 21 -1.317 10.034 -7.028 1.00 21.31 N ATOM 333 CZ ARG A 21 -1.401 10.145 -8.340 1.00 31.32 C ATOM 334 NH1 ARG A 21 -2.068 9.291 -9.050 1.00 70.32 N ATOM 335 NH2 ARG A 21 -0.769 11.101 -8.936 1.00 32.22 N ATOM 0 H ARG A 21 -0.391 7.421 -2.852 1.00 43.40 H new ATOM 0 HA ARG A 21 -2.138 9.500 -2.004 1.00 34.21 H new ATOM 0 HB2 ARG A 21 -2.389 7.290 -4.090 1.00 70.22 H new ATOM 0 HB3 ARG A 21 -3.588 8.552 -3.882 1.00 70.22 H new ATOM 0 HG2 ARG A 21 -1.914 10.286 -4.432 1.00 41.31 H new ATOM 0 HG3 ARG A 21 -0.652 9.075 -4.535 1.00 41.31 H new ATOM 0 HD2 ARG A 21 -1.745 8.041 -6.497 1.00 12.13 H new ATOM 0 HD3 ARG A 21 -3.103 9.140 -6.358 1.00 12.13 H new ATOM 0 HE ARG A 21 -0.703 10.690 -6.546 1.00 21.31 H new ATOM 0 HH11 ARG A 21 -2.543 8.511 -8.596 1.00 70.32 H new ATOM 0 HH12 ARG A 21 -2.118 9.399 -10.063 1.00 70.32 H new ATOM 0 HH21 ARG A 21 -0.212 11.761 -8.393 1.00 32.22 H new ATOM 0 HH22 ARG A 21 -0.827 11.196 -9.950 1.00 32.22 H new ATOM 349 N LYS A 22 -2.947 6.426 -1.122 1.00 22.11 N ATOM 350 CA LYS A 22 -3.751 5.619 -0.183 1.00 52.23 C ATOM 351 C LYS A 22 -3.316 5.876 1.294 1.00 71.43 C ATOM 352 O LYS A 22 -4.160 5.963 2.202 1.00 72.11 O ATOM 353 CB LYS A 22 -3.607 4.117 -0.556 1.00 23.15 C ATOM 354 CG LYS A 22 -4.514 3.162 0.246 1.00 21.14 C ATOM 355 CD LYS A 22 -6.019 3.380 -0.046 1.00 3.10 C ATOM 356 CE LYS A 22 -6.930 2.489 0.808 1.00 1.34 C ATOM 357 NZ LYS A 22 -8.363 2.750 0.543 1.00 51.31 N ATOM 0 H LYS A 22 -2.196 5.901 -1.570 1.00 22.11 H new ATOM 0 HA LYS A 22 -4.798 5.911 -0.263 1.00 52.23 H new ATOM 0 HB2 LYS A 22 -3.826 3.998 -1.617 1.00 23.15 H new ATOM 0 HB3 LYS A 22 -2.569 3.819 -0.409 1.00 23.15 H new ATOM 0 HG2 LYS A 22 -4.248 2.132 0.010 1.00 21.14 H new ATOM 0 HG3 LYS A 22 -4.331 3.303 1.311 1.00 21.14 H new ATOM 0 HD2 LYS A 22 -6.271 4.425 0.133 1.00 3.10 H new ATOM 0 HD3 LYS A 22 -6.211 3.182 -1.101 1.00 3.10 H new ATOM 0 HE2 LYS A 22 -6.708 1.442 0.604 1.00 1.34 H new ATOM 0 HE3 LYS A 22 -6.719 2.660 1.864 1.00 1.34 H new ATOM 0 HZ1 LYS A 22 -8.936 1.984 0.950 1.00 51.31 H new ATOM 0 HZ2 LYS A 22 -8.637 3.655 0.977 1.00 51.31 H new ATOM 0 HZ3 LYS A 22 -8.524 2.795 -0.484 1.00 51.31 H new ATOM 371 N PHE A 23 -1.989 6.026 1.495 1.00 43.13 N ATOM 372 CA PHE A 23 -1.351 6.269 2.817 1.00 63.24 C ATOM 373 C PHE A 23 -1.796 7.620 3.420 1.00 1.23 C ATOM 374 O PHE A 23 -1.895 7.768 4.644 1.00 74.33 O ATOM 375 CB PHE A 23 0.187 6.219 2.641 1.00 11.02 C ATOM 376 CG PHE A 23 1.022 6.165 3.924 1.00 55.44 C ATOM 377 CD1 PHE A 23 1.156 4.972 4.637 1.00 63.30 C ATOM 378 CD2 PHE A 23 1.704 7.288 4.401 1.00 51.03 C ATOM 379 CE1 PHE A 23 1.934 4.902 5.778 1.00 33.03 C ATOM 380 CE2 PHE A 23 2.487 7.216 5.538 1.00 11.33 C ATOM 381 CZ PHE A 23 2.601 6.023 6.226 1.00 2.50 C ATOM 0 H PHE A 23 -1.314 5.982 0.731 1.00 43.13 H new ATOM 0 HA PHE A 23 -1.666 5.494 3.516 1.00 63.24 H new ATOM 0 HB2 PHE A 23 0.433 5.345 2.037 1.00 11.02 H new ATOM 0 HB3 PHE A 23 0.494 7.096 2.071 1.00 11.02 H new ATOM 0 HD1 PHE A 23 0.642 4.087 4.291 1.00 63.30 H new ATOM 0 HD2 PHE A 23 1.618 8.226 3.873 1.00 51.03 H new ATOM 0 HE1 PHE A 23 2.019 3.970 6.318 1.00 33.03 H new ATOM 0 HE2 PHE A 23 3.010 8.093 5.889 1.00 11.33 H new ATOM 0 HZ PHE A 23 3.212 5.968 7.115 1.00 2.50 H new ATOM 391 N SER A 24 -2.048 8.603 2.530 1.00 41.02 N ATOM 392 CA SER A 24 -2.602 9.930 2.881 1.00 34.41 C ATOM 393 C SER A 24 -3.956 9.828 3.614 1.00 65.51 C ATOM 394 O SER A 24 -4.237 10.624 4.514 1.00 11.14 O ATOM 395 CB SER A 24 -2.759 10.794 1.606 1.00 42.30 C ATOM 396 OG SER A 24 -1.498 11.089 1.026 1.00 61.31 O ATOM 0 H SER A 24 -1.870 8.496 1.531 1.00 41.02 H new ATOM 0 HA SER A 24 -1.896 10.402 3.565 1.00 34.41 H new ATOM 0 HB2 SER A 24 -3.381 10.268 0.882 1.00 42.30 H new ATOM 0 HB3 SER A 24 -3.274 11.722 1.854 1.00 42.30 H new ATOM 0 HG SER A 24 -1.140 10.285 0.595 1.00 61.31 H new ATOM 402 N HIS A 25 -4.792 8.843 3.224 1.00 3.34 N ATOM 403 CA HIS A 25 -6.087 8.574 3.893 1.00 32.12 C ATOM 404 C HIS A 25 -5.900 7.707 5.163 1.00 73.23 C ATOM 405 O HIS A 25 -6.480 7.998 6.215 1.00 65.11 O ATOM 406 CB HIS A 25 -7.059 7.870 2.910 1.00 72.12 C ATOM 407 CG HIS A 25 -7.351 8.674 1.674 1.00 30.41 C ATOM 408 ND1 HIS A 25 -8.232 9.729 1.650 1.00 2.32 N ATOM 409 CD2 HIS A 25 -6.870 8.577 0.416 1.00 41.33 C ATOM 410 CE1 HIS A 25 -8.278 10.239 0.441 1.00 3.54 C ATOM 411 NE2 HIS A 25 -7.461 9.559 -0.329 1.00 62.32 N ATOM 0 H HIS A 25 -4.593 8.216 2.444 1.00 3.34 H new ATOM 0 HA HIS A 25 -6.510 9.531 4.198 1.00 32.12 H new ATOM 0 HB2 HIS A 25 -6.634 6.910 2.617 1.00 72.12 H new ATOM 0 HB3 HIS A 25 -7.996 7.660 3.426 1.00 72.12 H new ATOM 0 HD2 HIS A 25 -6.149 7.855 0.063 1.00 41.33 H new ATOM 0 HE1 HIS A 25 -8.886 11.077 0.132 1.00 3.54 H new ATOM 0 HE2 HIS A 25 -7.295 9.734 -1.320 1.00 62.32 H new ATOM 420 N GLN A 26 -5.084 6.640 5.051 1.00 34.31 N ATOM 421 CA GLN A 26 -4.894 5.649 6.140 1.00 31.25 C ATOM 422 C GLN A 26 -3.468 5.028 6.103 1.00 63.20 C ATOM 423 O GLN A 26 -2.959 4.656 5.045 1.00 71.11 O ATOM 424 CB GLN A 26 -5.995 4.557 6.039 1.00 71.20 C ATOM 425 CG GLN A 26 -6.012 3.787 4.705 1.00 2.33 C ATOM 426 CD GLN A 26 -7.214 2.846 4.543 1.00 54.23 C ATOM 427 OE1 GLN A 26 -7.090 1.631 5.016 1.00 41.43 O flip ATOM 428 NE2 GLN A 26 -8.247 3.212 3.999 1.00 0.02 N flip ATOM 0 H GLN A 26 -4.540 6.438 4.212 1.00 34.31 H new ATOM 0 HA GLN A 26 -4.988 6.156 7.100 1.00 31.25 H new ATOM 0 HB2 GLN A 26 -5.858 3.845 6.853 1.00 71.20 H new ATOM 0 HB3 GLN A 26 -6.968 5.026 6.186 1.00 71.20 H new ATOM 0 HG2 GLN A 26 -6.011 4.504 3.884 1.00 2.33 H new ATOM 0 HG3 GLN A 26 -5.094 3.205 4.621 1.00 2.33 H new ATOM 0 HE21 GLN A 26 -8.324 4.163 3.637 1.00 0.02 H new ATOM 0 HE22 GLN A 26 -9.031 2.567 3.907 1.00 0.02 H new ATOM 437 N LYS A 27 -2.848 4.924 7.291 1.00 1.10 N ATOM 438 CA LYS A 27 -1.440 4.470 7.461 1.00 4.43 C ATOM 439 C LYS A 27 -1.250 2.948 7.258 1.00 35.42 C ATOM 440 O LYS A 27 -0.125 2.479 7.061 1.00 4.11 O ATOM 441 CB LYS A 27 -0.942 4.885 8.867 1.00 74.10 C ATOM 442 CG LYS A 27 -1.037 6.405 9.153 1.00 50.01 C ATOM 443 CD LYS A 27 -0.322 7.264 8.080 1.00 73.10 C ATOM 444 CE LYS A 27 -0.384 8.768 8.380 1.00 63.13 C ATOM 445 NZ LYS A 27 0.324 9.121 9.632 1.00 62.52 N ATOM 0 H LYS A 27 -3.306 5.153 8.173 1.00 1.10 H new ATOM 0 HA LYS A 27 -0.851 4.953 6.682 1.00 4.43 H new ATOM 0 HB2 LYS A 27 -1.522 4.349 9.618 1.00 74.10 H new ATOM 0 HB3 LYS A 27 0.095 4.570 8.980 1.00 74.10 H new ATOM 0 HG2 LYS A 27 -2.086 6.695 9.204 1.00 50.01 H new ATOM 0 HG3 LYS A 27 -0.600 6.614 10.130 1.00 50.01 H new ATOM 0 HD2 LYS A 27 0.721 6.955 8.011 1.00 73.10 H new ATOM 0 HD3 LYS A 27 -0.776 7.074 7.108 1.00 73.10 H new ATOM 0 HE2 LYS A 27 0.055 9.320 7.549 1.00 63.13 H new ATOM 0 HE3 LYS A 27 -1.426 9.079 8.455 1.00 63.13 H new ATOM 0 HZ1 LYS A 27 0.358 10.156 9.732 1.00 62.52 H new ATOM 0 HZ2 LYS A 27 -0.181 8.711 10.444 1.00 62.52 H new ATOM 0 HZ3 LYS A 27 1.293 8.745 9.601 1.00 62.52 H new ATOM 459 N TYR A 28 -2.350 2.195 7.352 1.00 5.15 N ATOM 460 CA TYR A 28 -2.385 0.734 7.108 1.00 35.05 C ATOM 461 C TYR A 28 -3.788 0.326 6.620 1.00 4.34 C ATOM 462 O TYR A 28 -4.760 1.050 6.839 1.00 42.22 O ATOM 463 CB TYR A 28 -1.966 -0.072 8.377 1.00 15.44 C ATOM 464 CG TYR A 28 -2.593 0.421 9.697 1.00 44.41 C ATOM 465 CD1 TYR A 28 -3.828 -0.060 10.153 1.00 62.53 C ATOM 466 CD2 TYR A 28 -1.947 1.379 10.485 1.00 23.42 C ATOM 467 CE1 TYR A 28 -4.380 0.396 11.336 1.00 23.23 C ATOM 468 CE2 TYR A 28 -2.495 1.830 11.664 1.00 4.12 C ATOM 469 CZ TYR A 28 -3.709 1.342 12.086 1.00 64.05 C ATOM 470 OH TYR A 28 -4.257 1.815 13.256 1.00 41.52 O ATOM 0 H TYR A 28 -3.260 2.581 7.603 1.00 5.15 H new ATOM 0 HA TYR A 28 -1.659 0.494 6.332 1.00 35.05 H new ATOM 0 HB2 TYR A 28 -2.237 -1.118 8.231 1.00 15.44 H new ATOM 0 HB3 TYR A 28 -0.881 -0.035 8.471 1.00 15.44 H new ATOM 0 HD1 TYR A 28 -4.358 -0.799 9.570 1.00 62.53 H new ATOM 0 HD2 TYR A 28 -0.996 1.774 10.161 1.00 23.42 H new ATOM 0 HE1 TYR A 28 -5.332 0.014 11.672 1.00 23.23 H new ATOM 0 HE2 TYR A 28 -1.972 2.566 12.257 1.00 4.12 H new ATOM 0 HH TYR A 28 -3.653 2.474 13.657 1.00 41.52 H new ATOM 480 N LEU A 29 -3.892 -0.835 5.941 1.00 22.35 N ATOM 481 CA LEU A 29 -5.143 -1.262 5.257 1.00 5.00 C ATOM 482 C LEU A 29 -5.810 -2.476 5.951 1.00 53.32 C ATOM 483 O LEU A 29 -5.149 -3.246 6.647 1.00 22.35 O ATOM 484 CB LEU A 29 -4.844 -1.621 3.768 1.00 33.54 C ATOM 485 CG LEU A 29 -4.049 -0.569 2.923 1.00 63.15 C ATOM 486 CD1 LEU A 29 -4.051 -0.935 1.431 1.00 52.23 C ATOM 487 CD2 LEU A 29 -4.579 0.857 3.129 1.00 60.11 C ATOM 0 H LEU A 29 -3.124 -1.500 5.848 1.00 22.35 H new ATOM 0 HA LEU A 29 -5.837 -0.423 5.311 1.00 5.00 H new ATOM 0 HB2 LEU A 29 -4.287 -2.558 3.752 1.00 33.54 H new ATOM 0 HB3 LEU A 29 -5.795 -1.807 3.268 1.00 33.54 H new ATOM 0 HG LEU A 29 -3.020 -0.592 3.281 1.00 63.15 H new ATOM 0 HD11 LEU A 29 -3.491 -0.185 0.872 1.00 52.23 H new ATOM 0 HD12 LEU A 29 -3.586 -1.911 1.295 1.00 52.23 H new ATOM 0 HD13 LEU A 29 -5.077 -0.968 1.066 1.00 52.23 H new ATOM 0 HD21 LEU A 29 -3.998 1.552 2.523 1.00 60.11 H new ATOM 0 HD22 LEU A 29 -5.626 0.903 2.829 1.00 60.11 H new ATOM 0 HD23 LEU A 29 -4.490 1.130 4.181 1.00 60.11 H new ATOM 499 N SER A 30 -7.129 -2.628 5.736 1.00 45.54 N ATOM 500 CA SER A 30 -7.861 -3.879 6.061 1.00 54.33 C ATOM 501 C SER A 30 -7.668 -4.884 4.908 1.00 21.20 C ATOM 502 O SER A 30 -7.187 -4.503 3.849 1.00 53.55 O ATOM 503 CB SER A 30 -9.368 -3.594 6.269 1.00 54.23 C ATOM 504 OG SER A 30 -9.586 -2.687 7.337 1.00 53.13 O ATOM 0 H SER A 30 -7.719 -1.898 5.336 1.00 45.54 H new ATOM 0 HA SER A 30 -7.465 -4.296 6.987 1.00 54.33 H new ATOM 0 HB2 SER A 30 -9.791 -3.185 5.352 1.00 54.23 H new ATOM 0 HB3 SER A 30 -9.891 -4.529 6.472 1.00 54.23 H new ATOM 0 HG SER A 30 -10.547 -2.528 7.440 1.00 53.13 H new ATOM 510 N ALA A 31 -8.058 -6.154 5.113 1.00 62.12 N ATOM 511 CA ALA A 31 -7.948 -7.223 4.081 1.00 14.11 C ATOM 512 C ALA A 31 -8.633 -6.863 2.712 1.00 13.21 C ATOM 513 O ALA A 31 -8.022 -7.096 1.660 1.00 23.41 O ATOM 514 CB ALA A 31 -8.454 -8.567 4.633 1.00 43.32 C ATOM 0 H ALA A 31 -8.459 -6.477 5.994 1.00 62.12 H new ATOM 0 HA ALA A 31 -6.886 -7.315 3.852 1.00 14.11 H new ATOM 0 HB1 ALA A 31 -8.365 -9.333 3.863 1.00 43.32 H new ATOM 0 HB2 ALA A 31 -7.858 -8.852 5.500 1.00 43.32 H new ATOM 0 HB3 ALA A 31 -9.499 -8.469 4.928 1.00 43.32 H new ATOM 520 N PRO A 32 -9.904 -6.301 2.681 1.00 71.41 N ATOM 521 CA PRO A 32 -10.519 -5.781 1.423 1.00 43.04 C ATOM 522 C PRO A 32 -9.669 -4.686 0.716 1.00 3.51 C ATOM 523 O PRO A 32 -9.390 -4.793 -0.477 1.00 61.41 O ATOM 524 CB PRO A 32 -11.897 -5.225 1.884 1.00 24.20 C ATOM 525 CG PRO A 32 -11.797 -5.098 3.374 1.00 1.52 C ATOM 526 CD PRO A 32 -10.863 -6.194 3.817 1.00 2.10 C ATOM 0 HA PRO A 32 -10.598 -6.565 0.670 1.00 43.04 H new ATOM 0 HB2 PRO A 32 -12.106 -4.261 1.421 1.00 24.20 H new ATOM 0 HB3 PRO A 32 -12.707 -5.897 1.601 1.00 24.20 H new ATOM 0 HG2 PRO A 32 -11.413 -4.118 3.658 1.00 1.52 H new ATOM 0 HG3 PRO A 32 -12.775 -5.205 3.842 1.00 1.52 H new ATOM 0 HD2 PRO A 32 -10.357 -5.941 4.749 1.00 2.10 H new ATOM 0 HD3 PRO A 32 -11.393 -7.131 3.987 1.00 2.10 H new ATOM 534 N GLU A 33 -9.252 -3.650 1.479 1.00 52.51 N ATOM 535 CA GLU A 33 -8.467 -2.501 0.944 1.00 20.45 C ATOM 536 C GLU A 33 -7.068 -2.940 0.442 1.00 3.20 C ATOM 537 O GLU A 33 -6.554 -2.405 -0.539 1.00 3.21 O ATOM 538 CB GLU A 33 -8.306 -1.413 2.052 1.00 61.33 C ATOM 539 CG GLU A 33 -9.627 -0.912 2.678 1.00 15.23 C ATOM 540 CD GLU A 33 -10.567 -0.222 1.672 1.00 44.31 C ATOM 541 OE1 GLU A 33 -10.446 1.002 1.472 1.00 15.53 O ATOM 542 OE2 GLU A 33 -11.426 -0.901 1.073 1.00 65.13 O ATOM 0 H GLU A 33 -9.446 -3.582 2.478 1.00 52.51 H new ATOM 0 HA GLU A 33 -9.014 -2.093 0.094 1.00 20.45 H new ATOM 0 HB2 GLU A 33 -7.676 -1.815 2.845 1.00 61.33 H new ATOM 0 HB3 GLU A 33 -7.777 -0.560 1.627 1.00 61.33 H new ATOM 0 HG2 GLU A 33 -10.148 -1.757 3.128 1.00 15.23 H new ATOM 0 HG3 GLU A 33 -9.396 -0.214 3.483 1.00 15.23 H new ATOM 549 N ARG A 34 -6.481 -3.920 1.140 1.00 71.31 N ATOM 550 CA ARG A 34 -5.130 -4.450 0.857 1.00 53.10 C ATOM 551 C ARG A 34 -5.105 -5.219 -0.484 1.00 75.14 C ATOM 552 O ARG A 34 -4.214 -5.012 -1.314 1.00 15.24 O ATOM 553 CB ARG A 34 -4.703 -5.358 2.036 1.00 64.11 C ATOM 554 CG ARG A 34 -3.252 -5.874 1.988 1.00 72.31 C ATOM 555 CD ARG A 34 -2.925 -6.782 3.190 1.00 21.12 C ATOM 556 NE ARG A 34 -3.822 -7.953 3.256 1.00 41.24 N ATOM 557 CZ ARG A 34 -4.394 -8.435 4.343 1.00 1.12 C ATOM 558 NH1 ARG A 34 -4.239 -7.869 5.503 1.00 60.11 N ATOM 559 NH2 ARG A 34 -5.148 -9.479 4.247 1.00 33.02 N ATOM 0 H ARG A 34 -6.934 -4.378 1.931 1.00 71.31 H new ATOM 0 HA ARG A 34 -4.424 -3.626 0.760 1.00 53.10 H new ATOM 0 HB2 ARG A 34 -4.843 -4.806 2.965 1.00 64.11 H new ATOM 0 HB3 ARG A 34 -5.374 -6.216 2.071 1.00 64.11 H new ATOM 0 HG2 ARG A 34 -3.094 -6.427 1.062 1.00 72.31 H new ATOM 0 HG3 ARG A 34 -2.566 -5.027 1.975 1.00 72.31 H new ATOM 0 HD2 ARG A 34 -1.891 -7.120 3.119 1.00 21.12 H new ATOM 0 HD3 ARG A 34 -3.010 -6.208 4.112 1.00 21.12 H new ATOM 0 HE ARG A 34 -4.018 -8.435 2.379 1.00 41.24 H new ATOM 0 HH11 ARG A 34 -3.664 -7.031 5.589 1.00 60.11 H new ATOM 0 HH12 ARG A 34 -4.693 -8.263 6.327 1.00 60.11 H new ATOM 0 HH21 ARG A 34 -5.295 -9.920 3.339 1.00 33.02 H new ATOM 0 HH22 ARG A 34 -5.597 -9.862 5.079 1.00 33.02 H new ATOM 573 N ALA A 35 -6.112 -6.098 -0.672 1.00 41.01 N ATOM 574 CA ALA A 35 -6.316 -6.863 -1.920 1.00 32.03 C ATOM 575 C ALA A 35 -6.680 -5.939 -3.107 1.00 11.22 C ATOM 576 O ALA A 35 -6.163 -6.109 -4.219 1.00 30.20 O ATOM 577 CB ALA A 35 -7.413 -7.918 -1.705 1.00 1.03 C ATOM 0 H ALA A 35 -6.811 -6.298 0.043 1.00 41.01 H new ATOM 0 HA ALA A 35 -5.378 -7.358 -2.171 1.00 32.03 H new ATOM 0 HB1 ALA A 35 -7.562 -8.481 -2.626 1.00 1.03 H new ATOM 0 HB2 ALA A 35 -7.112 -8.599 -0.908 1.00 1.03 H new ATOM 0 HB3 ALA A 35 -8.344 -7.424 -1.427 1.00 1.03 H new ATOM 583 N HIS A 36 -7.565 -4.958 -2.834 1.00 74.35 N ATOM 584 CA HIS A 36 -8.040 -3.971 -3.828 1.00 40.03 C ATOM 585 C HIS A 36 -6.876 -3.100 -4.359 1.00 14.21 C ATOM 586 O HIS A 36 -6.771 -2.865 -5.560 1.00 35.41 O ATOM 587 CB HIS A 36 -9.146 -3.086 -3.194 1.00 34.20 C ATOM 588 CG HIS A 36 -9.768 -2.075 -4.129 1.00 45.35 C ATOM 589 ND1 HIS A 36 -10.779 -2.382 -5.014 1.00 35.42 N ATOM 590 CD2 HIS A 36 -9.514 -0.754 -4.315 1.00 52.41 C ATOM 591 CE1 HIS A 36 -11.112 -1.308 -5.694 1.00 5.30 C ATOM 592 NE2 HIS A 36 -10.361 -0.310 -5.290 1.00 64.14 N ATOM 0 H HIS A 36 -7.974 -4.827 -1.909 1.00 74.35 H new ATOM 0 HA HIS A 36 -8.456 -4.509 -4.680 1.00 40.03 H new ATOM 0 HB2 HIS A 36 -9.933 -3.734 -2.808 1.00 34.20 H new ATOM 0 HB3 HIS A 36 -8.722 -2.557 -2.340 1.00 34.20 H new ATOM 0 HD2 HIS A 36 -8.778 -0.164 -3.789 1.00 52.41 H new ATOM 0 HE1 HIS A 36 -11.875 -1.255 -6.457 1.00 5.30 H new ATOM 0 HE2 HIS A 36 -10.403 0.644 -5.647 1.00 64.14 H new ATOM 601 N LEU A 37 -6.014 -2.626 -3.445 1.00 13.25 N ATOM 602 CA LEU A 37 -4.837 -1.806 -3.803 1.00 63.04 C ATOM 603 C LEU A 37 -3.786 -2.652 -4.552 1.00 64.42 C ATOM 604 O LEU A 37 -3.199 -2.196 -5.541 1.00 34.31 O ATOM 605 CB LEU A 37 -4.204 -1.177 -2.536 1.00 73.30 C ATOM 606 CG LEU A 37 -3.079 -0.123 -2.802 1.00 43.01 C ATOM 607 CD1 LEU A 37 -3.630 1.123 -3.522 1.00 71.43 C ATOM 608 CD2 LEU A 37 -2.353 0.266 -1.512 1.00 13.25 C ATOM 0 H LEU A 37 -6.109 -2.797 -2.444 1.00 13.25 H new ATOM 0 HA LEU A 37 -5.174 -1.006 -4.462 1.00 63.04 H new ATOM 0 HB2 LEU A 37 -4.993 -0.702 -1.953 1.00 73.30 H new ATOM 0 HB3 LEU A 37 -3.791 -1.977 -1.921 1.00 73.30 H new ATOM 0 HG LEU A 37 -2.350 -0.594 -3.462 1.00 43.01 H new ATOM 0 HD11 LEU A 37 -2.821 1.834 -3.690 1.00 71.43 H new ATOM 0 HD12 LEU A 37 -4.060 0.829 -4.480 1.00 71.43 H new ATOM 0 HD13 LEU A 37 -4.399 1.589 -2.906 1.00 71.43 H new ATOM 0 HD21 LEU A 37 -1.579 1.000 -1.737 1.00 13.25 H new ATOM 0 HD22 LEU A 37 -3.066 0.695 -0.808 1.00 13.25 H new ATOM 0 HD23 LEU A 37 -1.896 -0.620 -1.070 1.00 13.25 H new ATOM 620 N ALA A 38 -3.570 -3.890 -4.058 1.00 21.52 N ATOM 621 CA ALA A 38 -2.615 -4.847 -4.642 1.00 5.01 C ATOM 622 C ALA A 38 -2.897 -5.125 -6.135 1.00 53.12 C ATOM 623 O ALA A 38 -2.005 -4.986 -6.968 1.00 21.01 O ATOM 624 CB ALA A 38 -2.625 -6.155 -3.838 1.00 32.54 C ATOM 0 H ALA A 38 -4.057 -4.252 -3.239 1.00 21.52 H new ATOM 0 HA ALA A 38 -1.625 -4.395 -4.587 1.00 5.01 H new ATOM 0 HB1 ALA A 38 -1.916 -6.857 -4.277 1.00 32.54 H new ATOM 0 HB2 ALA A 38 -2.341 -5.950 -2.806 1.00 32.54 H new ATOM 0 HB3 ALA A 38 -3.625 -6.588 -3.860 1.00 32.54 H new ATOM 630 N LYS A 39 -4.152 -5.481 -6.471 1.00 40.12 N ATOM 631 CA LYS A 39 -4.552 -5.788 -7.868 1.00 0.33 C ATOM 632 C LYS A 39 -4.439 -4.547 -8.799 1.00 65.12 C ATOM 633 O LYS A 39 -4.120 -4.683 -9.989 1.00 71.34 O ATOM 634 CB LYS A 39 -5.987 -6.385 -7.906 1.00 64.42 C ATOM 635 CG LYS A 39 -7.108 -5.439 -7.405 1.00 61.22 C ATOM 636 CD LYS A 39 -8.502 -6.106 -7.360 1.00 64.22 C ATOM 637 CE LYS A 39 -9.025 -6.503 -8.751 1.00 74.24 C ATOM 638 NZ LYS A 39 -9.232 -5.329 -9.629 1.00 31.43 N ATOM 0 H LYS A 39 -4.912 -5.565 -5.796 1.00 40.12 H new ATOM 0 HA LYS A 39 -3.854 -6.533 -8.250 1.00 0.33 H new ATOM 0 HB2 LYS A 39 -6.214 -6.680 -8.930 1.00 64.42 H new ATOM 0 HB3 LYS A 39 -6.002 -7.292 -7.302 1.00 64.42 H new ATOM 0 HG2 LYS A 39 -6.852 -5.082 -6.407 1.00 61.22 H new ATOM 0 HG3 LYS A 39 -7.153 -4.565 -8.055 1.00 61.22 H new ATOM 0 HD2 LYS A 39 -8.453 -6.994 -6.729 1.00 64.22 H new ATOM 0 HD3 LYS A 39 -9.211 -5.422 -6.893 1.00 64.22 H new ATOM 0 HE2 LYS A 39 -8.317 -7.186 -9.222 1.00 74.24 H new ATOM 0 HE3 LYS A 39 -9.965 -7.043 -8.643 1.00 74.24 H new ATOM 0 HZ1 LYS A 39 -9.679 -5.634 -10.517 1.00 31.43 H new ATOM 0 HZ2 LYS A 39 -9.847 -4.641 -9.150 1.00 31.43 H new ATOM 0 HZ3 LYS A 39 -8.315 -4.886 -9.838 1.00 31.43 H new ATOM 652 N ASN A 40 -4.695 -3.338 -8.249 1.00 45.33 N ATOM 653 CA ASN A 40 -4.534 -2.058 -8.992 1.00 34.54 C ATOM 654 C ASN A 40 -3.052 -1.776 -9.332 1.00 41.51 C ATOM 655 O ASN A 40 -2.725 -1.378 -10.452 1.00 25.05 O ATOM 656 CB ASN A 40 -5.111 -0.867 -8.175 1.00 21.24 C ATOM 657 CG ASN A 40 -6.627 -0.917 -8.008 1.00 33.43 C ATOM 658 OD1 ASN A 40 -7.344 -1.416 -8.861 1.00 52.24 O ATOM 659 ND2 ASN A 40 -7.127 -0.381 -6.914 1.00 12.21 N ATOM 0 H ASN A 40 -5.016 -3.218 -7.288 1.00 45.33 H new ATOM 0 HA ASN A 40 -5.089 -2.160 -9.924 1.00 34.54 H new ATOM 0 HB2 ASN A 40 -4.646 -0.854 -7.189 1.00 21.24 H new ATOM 0 HB3 ASN A 40 -4.839 0.066 -8.668 1.00 21.24 H new ATOM 0 HD21 ASN A 40 -8.136 -0.376 -6.764 1.00 12.21 H new ATOM 0 HD22 ASN A 40 -6.505 0.029 -6.217 1.00 12.21 H new ATOM 666 N LEU A 41 -2.161 -1.995 -8.348 1.00 53.20 N ATOM 667 CA LEU A 41 -0.716 -1.668 -8.474 1.00 13.40 C ATOM 668 C LEU A 41 0.134 -2.907 -8.848 1.00 24.53 C ATOM 669 O LEU A 41 1.363 -2.837 -8.846 1.00 32.42 O ATOM 670 CB LEU A 41 -0.207 -1.019 -7.157 1.00 4.44 C ATOM 671 CG LEU A 41 -1.034 0.203 -6.630 1.00 62.01 C ATOM 672 CD1 LEU A 41 -0.341 0.871 -5.426 1.00 13.03 C ATOM 673 CD2 LEU A 41 -1.326 1.227 -7.756 1.00 20.33 C ATOM 0 H LEU A 41 -2.413 -2.400 -7.447 1.00 53.20 H new ATOM 0 HA LEU A 41 -0.603 -0.955 -9.291 1.00 13.40 H new ATOM 0 HB2 LEU A 41 -0.191 -1.784 -6.381 1.00 4.44 H new ATOM 0 HB3 LEU A 41 0.823 -0.697 -7.308 1.00 4.44 H new ATOM 0 HG LEU A 41 -1.995 -0.180 -6.287 1.00 62.01 H new ATOM 0 HD11 LEU A 41 -0.940 1.715 -5.084 1.00 13.03 H new ATOM 0 HD12 LEU A 41 -0.239 0.147 -4.617 1.00 13.03 H new ATOM 0 HD13 LEU A 41 0.646 1.224 -5.724 1.00 13.03 H new ATOM 0 HD21 LEU A 41 -1.901 2.059 -7.351 1.00 20.33 H new ATOM 0 HD22 LEU A 41 -0.385 1.599 -8.162 1.00 20.33 H new ATOM 0 HD23 LEU A 41 -1.897 0.743 -8.549 1.00 20.33 H new ATOM 685 N LYS A 42 -0.534 -4.033 -9.191 1.00 32.44 N ATOM 686 CA LYS A 42 0.125 -5.304 -9.592 1.00 52.52 C ATOM 687 C LYS A 42 1.042 -5.893 -8.474 1.00 3.33 C ATOM 688 O LYS A 42 1.963 -6.669 -8.742 1.00 53.44 O ATOM 689 CB LYS A 42 0.873 -5.134 -10.962 1.00 32.41 C ATOM 690 CG LYS A 42 -0.063 -5.018 -12.195 1.00 23.22 C ATOM 691 CD LYS A 42 -0.918 -3.718 -12.239 1.00 54.12 C ATOM 692 CE LYS A 42 -2.043 -3.777 -13.285 1.00 1.22 C ATOM 693 NZ LYS A 42 -1.529 -4.031 -14.653 1.00 32.14 N ATOM 0 H LYS A 42 -1.552 -4.088 -9.198 1.00 32.44 H new ATOM 0 HA LYS A 42 -0.661 -6.046 -9.735 1.00 52.52 H new ATOM 0 HB2 LYS A 42 1.499 -4.243 -10.912 1.00 32.41 H new ATOM 0 HB3 LYS A 42 1.539 -5.984 -11.106 1.00 32.41 H new ATOM 0 HG2 LYS A 42 0.542 -5.070 -13.100 1.00 23.22 H new ATOM 0 HG3 LYS A 42 -0.732 -5.878 -12.209 1.00 23.22 H new ATOM 0 HD2 LYS A 42 -1.353 -3.541 -11.255 1.00 54.12 H new ATOM 0 HD3 LYS A 42 -0.269 -2.870 -12.458 1.00 54.12 H new ATOM 0 HE2 LYS A 42 -2.748 -4.563 -13.013 1.00 1.22 H new ATOM 0 HE3 LYS A 42 -2.594 -2.837 -13.275 1.00 1.22 H new ATOM 0 HZ1 LYS A 42 -2.319 -4.011 -15.330 1.00 32.14 H new ATOM 0 HZ2 LYS A 42 -0.838 -3.296 -14.906 1.00 32.14 H new ATOM 0 HZ3 LYS A 42 -1.070 -4.964 -14.684 1.00 32.14 H new ATOM 707 N LEU A 43 0.733 -5.528 -7.219 1.00 55.40 N ATOM 708 CA LEU A 43 1.397 -6.051 -6.006 1.00 22.43 C ATOM 709 C LEU A 43 0.630 -7.267 -5.443 1.00 43.42 C ATOM 710 O LEU A 43 -0.413 -7.665 -5.971 1.00 62.34 O ATOM 711 CB LEU A 43 1.463 -4.926 -4.935 1.00 52.54 C ATOM 712 CG LEU A 43 2.348 -3.697 -5.297 1.00 14.33 C ATOM 713 CD1 LEU A 43 2.205 -2.563 -4.258 1.00 41.35 C ATOM 714 CD2 LEU A 43 3.825 -4.116 -5.469 1.00 62.52 C ATOM 0 H LEU A 43 0.001 -4.848 -7.011 1.00 55.40 H new ATOM 0 HA LEU A 43 2.405 -6.374 -6.266 1.00 22.43 H new ATOM 0 HB2 LEU A 43 0.449 -4.575 -4.741 1.00 52.54 H new ATOM 0 HB3 LEU A 43 1.835 -5.357 -4.005 1.00 52.54 H new ATOM 0 HG LEU A 43 1.994 -3.305 -6.250 1.00 14.33 H new ATOM 0 HD11 LEU A 43 2.838 -1.724 -4.546 1.00 41.35 H new ATOM 0 HD12 LEU A 43 1.166 -2.236 -4.217 1.00 41.35 H new ATOM 0 HD13 LEU A 43 2.510 -2.928 -3.277 1.00 41.35 H new ATOM 0 HD21 LEU A 43 4.424 -3.241 -5.722 1.00 62.52 H new ATOM 0 HD22 LEU A 43 4.191 -4.550 -4.538 1.00 62.52 H new ATOM 0 HD23 LEU A 43 3.903 -4.853 -6.268 1.00 62.52 H new ATOM 726 N THR A 44 1.162 -7.845 -4.362 1.00 73.01 N ATOM 727 CA THR A 44 0.459 -8.866 -3.555 1.00 61.24 C ATOM 728 C THR A 44 0.033 -8.243 -2.219 1.00 13.40 C ATOM 729 O THR A 44 0.518 -7.156 -1.849 1.00 24.13 O ATOM 730 CB THR A 44 1.361 -10.116 -3.269 1.00 53.13 C ATOM 731 OG1 THR A 44 2.463 -9.753 -2.416 1.00 34.45 O ATOM 732 CG2 THR A 44 1.901 -10.729 -4.572 1.00 60.11 C ATOM 0 H THR A 44 2.095 -7.622 -4.015 1.00 73.01 H new ATOM 0 HA THR A 44 -0.408 -9.201 -4.124 1.00 61.24 H new ATOM 0 HB THR A 44 0.742 -10.861 -2.769 1.00 53.13 H new ATOM 0 HG1 THR A 44 3.017 -10.543 -2.244 1.00 34.45 H new ATOM 0 HG21 THR A 44 2.522 -11.593 -4.337 1.00 60.11 H new ATOM 0 HG22 THR A 44 1.067 -11.041 -5.200 1.00 60.11 H new ATOM 0 HG23 THR A 44 2.497 -9.987 -5.103 1.00 60.11 H new ATOM 740 N GLU A 45 -0.858 -8.933 -1.490 1.00 40.55 N ATOM 741 CA GLU A 45 -1.290 -8.507 -0.138 1.00 51.43 C ATOM 742 C GLU A 45 -0.111 -8.495 0.861 1.00 23.41 C ATOM 743 O GLU A 45 -0.117 -7.728 1.832 1.00 53.24 O ATOM 744 CB GLU A 45 -2.426 -9.422 0.379 1.00 62.03 C ATOM 745 CG GLU A 45 -3.721 -9.343 -0.442 1.00 1.22 C ATOM 746 CD GLU A 45 -4.872 -10.111 0.216 1.00 32.45 C ATOM 747 OE1 GLU A 45 -5.433 -9.601 1.208 1.00 42.22 O ATOM 748 OE2 GLU A 45 -5.210 -11.229 -0.240 1.00 34.13 O ATOM 0 H GLU A 45 -1.299 -9.795 -1.812 1.00 40.55 H new ATOM 0 HA GLU A 45 -1.665 -7.487 -0.218 1.00 51.43 H new ATOM 0 HB2 GLU A 45 -2.073 -10.453 0.382 1.00 62.03 H new ATOM 0 HB3 GLU A 45 -2.648 -9.158 1.413 1.00 62.03 H new ATOM 0 HG2 GLU A 45 -4.007 -8.299 -0.566 1.00 1.22 H new ATOM 0 HG3 GLU A 45 -3.542 -9.745 -1.439 1.00 1.22 H new ATOM 755 N THR A 46 0.896 -9.352 0.603 1.00 10.50 N ATOM 756 CA THR A 46 2.159 -9.368 1.360 1.00 44.31 C ATOM 757 C THR A 46 2.915 -8.037 1.158 1.00 2.44 C ATOM 758 O THR A 46 3.192 -7.332 2.122 1.00 45.01 O ATOM 759 CB THR A 46 3.072 -10.568 0.921 1.00 3.34 C ATOM 760 OG1 THR A 46 2.332 -11.798 1.030 1.00 72.31 O ATOM 761 CG2 THR A 46 4.355 -10.672 1.776 1.00 3.54 C ATOM 0 H THR A 46 0.855 -10.053 -0.137 1.00 10.50 H new ATOM 0 HA THR A 46 1.916 -9.492 2.415 1.00 44.31 H new ATOM 0 HB THR A 46 3.373 -10.389 -0.111 1.00 3.34 H new ATOM 0 HG1 THR A 46 2.900 -12.547 0.755 1.00 72.31 H new ATOM 0 HG21 THR A 46 4.953 -11.517 1.434 1.00 3.54 H new ATOM 0 HG22 THR A 46 4.934 -9.754 1.677 1.00 3.54 H new ATOM 0 HG23 THR A 46 4.085 -10.819 2.822 1.00 3.54 H new ATOM 769 N GLN A 47 3.173 -7.696 -0.127 1.00 24.12 N ATOM 770 CA GLN A 47 3.933 -6.487 -0.539 1.00 1.24 C ATOM 771 C GLN A 47 3.314 -5.169 -0.012 1.00 10.13 C ATOM 772 O GLN A 47 4.034 -4.300 0.496 1.00 74.31 O ATOM 773 CB GLN A 47 4.041 -6.430 -2.088 1.00 3.14 C ATOM 774 CG GLN A 47 4.900 -7.547 -2.707 1.00 63.31 C ATOM 775 CD GLN A 47 4.890 -7.510 -4.230 1.00 34.55 C ATOM 776 OE1 GLN A 47 4.066 -8.140 -4.868 1.00 74.32 O ATOM 777 NE2 GLN A 47 5.760 -6.728 -4.822 1.00 2.42 N ATOM 0 H GLN A 47 2.856 -8.258 -0.917 1.00 24.12 H new ATOM 0 HA GLN A 47 4.923 -6.575 -0.092 1.00 1.24 H new ATOM 0 HB2 GLN A 47 3.038 -6.482 -2.512 1.00 3.14 H new ATOM 0 HB3 GLN A 47 4.459 -5.465 -2.376 1.00 3.14 H new ATOM 0 HG2 GLN A 47 5.926 -7.453 -2.351 1.00 63.31 H new ATOM 0 HG3 GLN A 47 4.532 -8.515 -2.367 1.00 63.31 H new ATOM 0 HE21 GLN A 47 6.441 -6.210 -4.267 1.00 2.42 H new ATOM 0 HE22 GLN A 47 5.756 -6.638 -5.838 1.00 2.42 H new ATOM 786 N VAL A 48 1.982 -5.041 -0.162 1.00 65.21 N ATOM 787 CA VAL A 48 1.215 -3.870 0.323 1.00 31.14 C ATOM 788 C VAL A 48 1.347 -3.705 1.858 1.00 24.33 C ATOM 789 O VAL A 48 1.670 -2.616 2.343 1.00 54.21 O ATOM 790 CB VAL A 48 -0.304 -3.988 -0.093 1.00 44.31 C ATOM 791 CG1 VAL A 48 -1.162 -2.859 0.524 1.00 32.15 C ATOM 792 CG2 VAL A 48 -0.453 -3.997 -1.633 1.00 23.12 C ATOM 0 H VAL A 48 1.404 -5.744 -0.622 1.00 65.21 H new ATOM 0 HA VAL A 48 1.636 -2.980 -0.146 1.00 31.14 H new ATOM 0 HB VAL A 48 -0.672 -4.935 0.302 1.00 44.31 H new ATOM 0 HG11 VAL A 48 -2.200 -2.979 0.212 1.00 32.15 H new ATOM 0 HG12 VAL A 48 -1.102 -2.909 1.611 1.00 32.15 H new ATOM 0 HG13 VAL A 48 -0.790 -1.892 0.184 1.00 32.15 H new ATOM 0 HG21 VAL A 48 -1.508 -4.079 -1.896 1.00 23.12 H new ATOM 0 HG22 VAL A 48 -0.048 -3.072 -2.043 1.00 23.12 H new ATOM 0 HG23 VAL A 48 0.091 -4.846 -2.046 1.00 23.12 H new ATOM 802 N LYS A 49 1.126 -4.810 2.601 1.00 61.01 N ATOM 803 CA LYS A 49 1.232 -4.831 4.081 1.00 53.22 C ATOM 804 C LYS A 49 2.657 -4.434 4.560 1.00 74.10 C ATOM 805 O LYS A 49 2.806 -3.672 5.529 1.00 23.25 O ATOM 806 CB LYS A 49 0.836 -6.236 4.607 1.00 60.42 C ATOM 807 CG LYS A 49 0.820 -6.385 6.151 1.00 23.34 C ATOM 808 CD LYS A 49 0.246 -7.746 6.622 1.00 1.14 C ATOM 809 CE LYS A 49 1.009 -8.958 6.050 1.00 64.30 C ATOM 810 NZ LYS A 49 2.435 -8.972 6.465 1.00 61.05 N ATOM 0 H LYS A 49 0.870 -5.711 2.197 1.00 61.01 H new ATOM 0 HA LYS A 49 0.545 -4.090 4.489 1.00 53.22 H new ATOM 0 HB2 LYS A 49 -0.154 -6.483 4.224 1.00 60.42 H new ATOM 0 HB3 LYS A 49 1.529 -6.969 4.195 1.00 60.42 H new ATOM 0 HG2 LYS A 49 1.835 -6.274 6.532 1.00 23.34 H new ATOM 0 HG3 LYS A 49 0.228 -5.578 6.582 1.00 23.34 H new ATOM 0 HD2 LYS A 49 0.275 -7.788 7.711 1.00 1.14 H new ATOM 0 HD3 LYS A 49 -0.801 -7.813 6.328 1.00 1.14 H new ATOM 0 HE2 LYS A 49 0.527 -9.878 6.382 1.00 64.30 H new ATOM 0 HE3 LYS A 49 0.950 -8.942 4.962 1.00 64.30 H new ATOM 0 HZ1 LYS A 49 2.907 -9.804 6.057 1.00 61.05 H new ATOM 0 HZ2 LYS A 49 2.904 -8.107 6.127 1.00 61.05 H new ATOM 0 HZ3 LYS A 49 2.494 -9.014 7.502 1.00 61.05 H new ATOM 824 N ILE A 50 3.687 -4.932 3.835 1.00 3.35 N ATOM 825 CA ILE A 50 5.104 -4.606 4.094 1.00 64.51 C ATOM 826 C ILE A 50 5.365 -3.094 3.934 1.00 54.23 C ATOM 827 O ILE A 50 5.934 -2.478 4.834 1.00 12.40 O ATOM 828 CB ILE A 50 6.075 -5.424 3.152 1.00 54.23 C ATOM 829 CG1 ILE A 50 5.997 -6.953 3.471 1.00 72.34 C ATOM 830 CG2 ILE A 50 7.541 -4.915 3.254 1.00 44.01 C ATOM 831 CD1 ILE A 50 6.792 -7.835 2.523 1.00 0.04 C ATOM 0 H ILE A 50 3.555 -5.573 3.052 1.00 3.35 H new ATOM 0 HA ILE A 50 5.312 -4.891 5.125 1.00 64.51 H new ATOM 0 HB ILE A 50 5.745 -5.266 2.125 1.00 54.23 H new ATOM 0 HG12 ILE A 50 6.355 -7.118 4.487 1.00 72.34 H new ATOM 0 HG13 ILE A 50 4.953 -7.264 3.447 1.00 72.34 H new ATOM 0 HG21 ILE A 50 8.177 -5.502 2.592 1.00 44.01 H new ATOM 0 HG22 ILE A 50 7.583 -3.866 2.961 1.00 44.01 H new ATOM 0 HG23 ILE A 50 7.892 -5.019 4.281 1.00 44.01 H new ATOM 0 HD11 ILE A 50 6.681 -8.878 2.818 1.00 0.04 H new ATOM 0 HD12 ILE A 50 6.421 -7.704 1.507 1.00 0.04 H new ATOM 0 HD13 ILE A 50 7.845 -7.556 2.563 1.00 0.04 H new ATOM 843 N TRP A 51 4.942 -2.503 2.791 1.00 42.23 N ATOM 844 CA TRP A 51 5.167 -1.065 2.523 1.00 24.31 C ATOM 845 C TRP A 51 4.480 -0.189 3.587 1.00 62.11 C ATOM 846 O TRP A 51 5.130 0.656 4.171 1.00 64.05 O ATOM 847 CB TRP A 51 4.702 -0.648 1.103 1.00 2.41 C ATOM 848 CG TRP A 51 5.016 0.812 0.776 1.00 52.05 C ATOM 849 CD1 TRP A 51 6.180 1.322 0.277 1.00 3.11 C ATOM 850 CD2 TRP A 51 4.165 1.946 0.985 1.00 43.10 C ATOM 851 NE1 TRP A 51 6.083 2.674 0.117 1.00 64.01 N ATOM 852 CE2 TRP A 51 4.863 3.082 0.555 1.00 40.00 C ATOM 853 CE3 TRP A 51 2.881 2.102 1.485 1.00 61.44 C ATOM 854 CZ2 TRP A 51 4.315 4.351 0.606 1.00 51.55 C ATOM 855 CZ3 TRP A 51 2.336 3.360 1.546 1.00 53.33 C ATOM 856 CH2 TRP A 51 3.056 4.475 1.113 1.00 4.52 C ATOM 0 H TRP A 51 4.448 -2.996 2.047 1.00 42.23 H new ATOM 0 HA TRP A 51 6.244 -0.904 2.575 1.00 24.31 H new ATOM 0 HB2 TRP A 51 5.183 -1.291 0.366 1.00 2.41 H new ATOM 0 HB3 TRP A 51 3.628 -0.811 1.016 1.00 2.41 H new ATOM 0 HD1 TRP A 51 7.056 0.737 0.041 1.00 3.11 H new ATOM 0 HE1 TRP A 51 6.808 3.279 -0.268 1.00 64.01 H new ATOM 0 HE3 TRP A 51 2.317 1.245 1.822 1.00 61.44 H new ATOM 0 HZ2 TRP A 51 4.865 5.212 0.257 1.00 51.55 H new ATOM 0 HZ3 TRP A 51 1.337 3.489 1.934 1.00 53.33 H new ATOM 0 HH2 TRP A 51 2.607 5.455 1.181 1.00 4.52 H new ATOM 867 N PHE A 52 3.168 -0.399 3.821 1.00 72.32 N ATOM 868 CA PHE A 52 2.403 0.378 4.836 1.00 73.32 C ATOM 869 C PHE A 52 2.995 0.251 6.259 1.00 55.34 C ATOM 870 O PHE A 52 2.949 1.211 7.028 1.00 3.32 O ATOM 871 CB PHE A 52 0.896 -0.010 4.814 1.00 13.13 C ATOM 872 CG PHE A 52 0.126 0.664 3.675 1.00 24.22 C ATOM 873 CD1 PHE A 52 0.107 0.125 2.395 1.00 64.21 C ATOM 874 CD2 PHE A 52 -0.548 1.871 3.877 1.00 50.24 C ATOM 875 CE1 PHE A 52 -0.553 0.760 1.368 1.00 64.42 C ATOM 876 CE2 PHE A 52 -1.215 2.502 2.850 1.00 11.21 C ATOM 877 CZ PHE A 52 -1.214 1.949 1.592 1.00 3.42 C ATOM 0 H PHE A 52 2.612 -1.096 3.326 1.00 72.32 H new ATOM 0 HA PHE A 52 2.492 1.429 4.559 1.00 73.32 H new ATOM 0 HB2 PHE A 52 0.806 -1.092 4.717 1.00 13.13 H new ATOM 0 HB3 PHE A 52 0.441 0.264 5.766 1.00 13.13 H new ATOM 0 HD1 PHE A 52 0.618 -0.807 2.203 1.00 64.21 H new ATOM 0 HD2 PHE A 52 -0.546 2.319 4.860 1.00 50.24 H new ATOM 0 HE1 PHE A 52 -0.553 0.324 0.380 1.00 64.42 H new ATOM 0 HE2 PHE A 52 -1.738 3.429 3.033 1.00 11.21 H new ATOM 0 HZ PHE A 52 -1.729 2.444 0.782 1.00 3.42 H new ATOM 887 N GLN A 53 3.566 -0.926 6.595 1.00 22.51 N ATOM 888 CA GLN A 53 4.263 -1.133 7.888 1.00 70.34 C ATOM 889 C GLN A 53 5.588 -0.316 7.953 1.00 13.30 C ATOM 890 O GLN A 53 5.746 0.564 8.808 1.00 50.41 O ATOM 891 CB GLN A 53 4.537 -2.648 8.120 1.00 44.11 C ATOM 892 CG GLN A 53 5.204 -2.985 9.472 1.00 5.24 C ATOM 893 CD GLN A 53 5.430 -4.487 9.678 1.00 11.21 C ATOM 894 OE1 GLN A 53 6.467 -5.027 9.315 1.00 33.34 O ATOM 895 NE2 GLN A 53 4.465 -5.175 10.263 1.00 2.55 N ATOM 0 H GLN A 53 3.559 -1.748 5.991 1.00 22.51 H new ATOM 0 HA GLN A 53 3.612 -0.772 8.684 1.00 70.34 H new ATOM 0 HB2 GLN A 53 3.593 -3.188 8.052 1.00 44.11 H new ATOM 0 HB3 GLN A 53 5.174 -3.015 7.315 1.00 44.11 H new ATOM 0 HG2 GLN A 53 6.162 -2.468 9.536 1.00 5.24 H new ATOM 0 HG3 GLN A 53 4.582 -2.604 10.282 1.00 5.24 H new ATOM 0 HE21 GLN A 53 3.609 -4.704 10.557 1.00 2.55 H new ATOM 0 HE22 GLN A 53 4.576 -6.177 10.420 1.00 2.55 H new ATOM 904 N ASN A 54 6.518 -0.599 7.013 1.00 61.21 N ATOM 905 CA ASN A 54 7.858 0.044 6.959 1.00 53.24 C ATOM 906 C ASN A 54 7.791 1.572 6.716 1.00 72.35 C ATOM 907 O ASN A 54 8.649 2.296 7.189 1.00 14.35 O ATOM 908 CB ASN A 54 8.755 -0.622 5.873 1.00 0.11 C ATOM 909 CG ASN A 54 9.293 -1.989 6.297 1.00 74.15 C ATOM 910 OD1 ASN A 54 10.359 -2.092 6.894 1.00 63.54 O ATOM 911 ND2 ASN A 54 8.577 -3.048 5.989 1.00 43.12 N ATOM 0 H ASN A 54 6.364 -1.279 6.269 1.00 61.21 H new ATOM 0 HA ASN A 54 8.301 -0.109 7.943 1.00 53.24 H new ATOM 0 HB2 ASN A 54 8.180 -0.733 4.954 1.00 0.11 H new ATOM 0 HB3 ASN A 54 9.593 0.038 5.647 1.00 0.11 H new ATOM 0 HD21 ASN A 54 8.906 -3.978 6.247 1.00 43.12 H new ATOM 0 HD22 ASN A 54 7.693 -2.939 5.492 1.00 43.12 H new ATOM 918 N ARG A 55 6.794 2.038 5.953 1.00 3.30 N ATOM 919 CA ARG A 55 6.600 3.481 5.663 1.00 54.35 C ATOM 920 C ARG A 55 6.321 4.307 6.941 1.00 75.14 C ATOM 921 O ARG A 55 6.823 5.423 7.086 1.00 74.11 O ATOM 922 CB ARG A 55 5.456 3.689 4.640 1.00 71.25 C ATOM 923 CG ARG A 55 5.509 5.039 3.902 1.00 74.32 C ATOM 924 CD ARG A 55 6.761 5.156 3.008 1.00 24.14 C ATOM 925 NE ARG A 55 6.768 6.397 2.225 1.00 71.45 N ATOM 926 CZ ARG A 55 7.831 6.965 1.697 1.00 30.30 C ATOM 927 NH1 ARG A 55 9.019 6.447 1.830 1.00 21.20 N ATOM 928 NH2 ARG A 55 7.698 8.055 1.027 1.00 2.13 N ATOM 0 H ARG A 55 6.097 1.435 5.517 1.00 3.30 H new ATOM 0 HA ARG A 55 7.535 3.841 5.235 1.00 54.35 H new ATOM 0 HB2 ARG A 55 5.489 2.884 3.906 1.00 71.25 H new ATOM 0 HB3 ARG A 55 4.501 3.608 5.158 1.00 71.25 H new ATOM 0 HG2 ARG A 55 4.614 5.154 3.291 1.00 74.32 H new ATOM 0 HG3 ARG A 55 5.505 5.851 4.629 1.00 74.32 H new ATOM 0 HD2 ARG A 55 7.655 5.116 3.630 1.00 24.14 H new ATOM 0 HD3 ARG A 55 6.804 4.302 2.332 1.00 24.14 H new ATOM 0 HE ARG A 55 5.871 6.859 2.077 1.00 71.45 H new ATOM 0 HH11 ARG A 55 9.142 5.580 2.354 1.00 21.20 H new ATOM 0 HH12 ARG A 55 9.826 6.908 1.410 1.00 21.20 H new ATOM 0 HH21 ARG A 55 6.774 8.472 0.909 1.00 2.13 H new ATOM 0 HH22 ARG A 55 8.516 8.503 0.614 1.00 2.13 H new ATOM 942 N ARG A 56 5.518 3.735 7.854 1.00 72.34 N ATOM 943 CA ARG A 56 5.270 4.309 9.200 1.00 23.00 C ATOM 944 C ARG A 56 6.575 4.359 10.038 1.00 71.13 C ATOM 945 O ARG A 56 6.760 5.241 10.894 1.00 63.14 O ATOM 946 CB ARG A 56 4.200 3.469 9.927 1.00 63.34 C ATOM 947 CG ARG A 56 2.831 3.443 9.215 1.00 33.52 C ATOM 948 CD ARG A 56 1.842 2.479 9.889 1.00 12.13 C ATOM 949 NE ARG A 56 1.626 2.828 11.300 1.00 72.05 N ATOM 950 CZ ARG A 56 1.262 2.000 12.246 1.00 70.31 C ATOM 951 NH1 ARG A 56 1.034 0.744 12.009 1.00 23.24 N ATOM 952 NH2 ARG A 56 1.132 2.440 13.448 1.00 73.33 N ATOM 0 H ARG A 56 5.019 2.861 7.686 1.00 72.34 H new ATOM 0 HA ARG A 56 4.912 5.332 9.081 1.00 23.00 H new ATOM 0 HB2 ARG A 56 4.564 2.447 10.030 1.00 63.34 H new ATOM 0 HB3 ARG A 56 4.066 3.863 10.935 1.00 63.34 H new ATOM 0 HG2 ARG A 56 2.408 4.448 9.208 1.00 33.52 H new ATOM 0 HG3 ARG A 56 2.970 3.149 8.175 1.00 33.52 H new ATOM 0 HD2 ARG A 56 0.891 2.502 9.358 1.00 12.13 H new ATOM 0 HD3 ARG A 56 2.221 1.460 9.819 1.00 12.13 H new ATOM 0 HE ARG A 56 1.773 3.802 11.566 1.00 72.05 H new ATOM 0 HH11 ARG A 56 1.137 0.377 11.063 1.00 23.24 H new ATOM 0 HH12 ARG A 56 0.752 0.125 12.769 1.00 23.24 H new ATOM 0 HH21 ARG A 56 1.312 3.423 13.654 1.00 73.33 H new ATOM 0 HH22 ARG A 56 0.849 1.806 14.195 1.00 73.33 H new