USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 401 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 22 TYR OH : rot -15:sc= 1.1 USER MOD Set 1.2: A 69 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 21 THR OG1 : rot 34:sc= 0.0579 USER MOD Set 2.2: A 50 TYR OH : rot 178:sc= -2.85! USER MOD Single : A 25 GLN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -173:sc= -2.69! USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -65:sc= 1.21 USER MOD Single : A 45 GLN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD Single : A 46 THR OG1 : rot -38:sc= 1.16 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0004) USER MOD Single : A 57 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.17) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0842 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 62 CYS SG : rot 57:sc= -0.0462 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 2.39 (180deg=2.18) USER MOD ----------------------------------------------------------------- ATOM 176 N THR A 21 6.509 7.361 -2.818 1.00 0.00 N ATOM 177 CA THR A 21 5.367 7.891 -2.174 1.00 0.00 C ATOM 178 C THR A 21 4.133 7.713 -3.042 1.00 0.00 C ATOM 179 O THR A 21 4.236 7.363 -4.230 1.00 0.00 O ATOM 180 CB THR A 21 5.598 9.363 -1.766 1.00 0.00 C ATOM 181 OG1 THR A 21 4.589 9.826 -0.848 1.00 0.00 O ATOM 182 CG2 THR A 21 5.611 10.242 -2.995 1.00 0.00 C ATOM 0 HA THR A 21 5.192 7.335 -1.253 1.00 0.00 H new ATOM 0 HB THR A 21 6.562 9.420 -1.261 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.314 9.088 -0.265 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.774 11.278 -2.699 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.413 9.924 -3.661 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.655 10.159 -3.512 1.00 0.00 H new ATOM 190 N TYR A 22 2.991 7.909 -2.436 1.00 0.00 N ATOM 191 CA TYR A 22 1.708 7.684 -3.043 1.00 0.00 C ATOM 192 C TYR A 22 0.751 8.779 -2.607 1.00 0.00 C ATOM 193 O TYR A 22 0.974 9.431 -1.577 1.00 0.00 O ATOM 194 CB TYR A 22 1.145 6.335 -2.595 1.00 0.00 C ATOM 195 CG TYR A 22 1.931 5.115 -3.025 1.00 0.00 C ATOM 196 CD1 TYR A 22 1.477 4.303 -4.048 1.00 0.00 C ATOM 197 CD2 TYR A 22 3.122 4.771 -2.402 1.00 0.00 C ATOM 198 CE1 TYR A 22 2.176 3.199 -4.432 1.00 0.00 C ATOM 199 CE2 TYR A 22 3.832 3.678 -2.781 1.00 0.00 C ATOM 200 CZ TYR A 22 3.357 2.890 -3.798 1.00 0.00 C ATOM 201 OH TYR A 22 4.062 1.785 -4.190 1.00 0.00 O ATOM 0 H TYR A 22 2.928 8.241 -1.474 1.00 0.00 H new ATOM 0 HA TYR A 22 1.822 7.689 -4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.077 6.335 -1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.129 6.242 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.553 4.548 -4.551 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.493 5.387 -1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.806 2.571 -5.229 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.760 3.432 -2.287 1.00 0.00 H new ATOM 0 HH TYR A 22 3.490 1.211 -4.741 1.00 0.00 H new ATOM 211 N ALA A 23 -0.299 8.971 -3.366 1.00 0.00 N ATOM 212 CA ALA A 23 -1.284 9.991 -3.077 1.00 0.00 C ATOM 213 C ALA A 23 -2.563 9.351 -2.546 1.00 0.00 C ATOM 214 O ALA A 23 -2.908 8.239 -2.935 1.00 0.00 O ATOM 215 CB ALA A 23 -1.572 10.796 -4.327 1.00 0.00 C ATOM 0 H ALA A 23 -0.498 8.425 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.891 10.661 -2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.314 11.562 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.654 11.270 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.955 10.136 -5.105 1.00 0.00 H new ATOM 221 N LEU A 24 -3.228 10.024 -1.622 1.00 0.00 N ATOM 222 CA LEU A 24 -4.481 9.533 -1.064 1.00 0.00 C ATOM 223 C LEU A 24 -5.573 9.493 -2.123 1.00 0.00 C ATOM 224 O LEU A 24 -5.579 10.309 -3.063 1.00 0.00 O ATOM 225 CB LEU A 24 -4.953 10.363 0.137 1.00 0.00 C ATOM 226 CG LEU A 24 -3.913 10.640 1.219 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.517 11.416 2.368 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.267 9.359 1.707 1.00 0.00 C ATOM 0 H LEU A 24 -2.920 10.918 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.285 8.520 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.325 11.319 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.797 9.849 0.597 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.130 11.254 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.754 11.599 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.901 12.368 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.332 10.841 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.532 9.593 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.031 8.702 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.773 8.860 0.873 1.00 0.00 H new ATOM 240 N GLN A 25 -6.490 8.559 -1.947 1.00 0.00 N ATOM 241 CA GLN A 25 -7.647 8.328 -2.822 1.00 0.00 C ATOM 242 C GLN A 25 -7.220 7.787 -4.185 1.00 0.00 C ATOM 243 O GLN A 25 -7.973 7.816 -5.162 1.00 0.00 O ATOM 244 CB GLN A 25 -8.558 9.566 -2.921 1.00 0.00 C ATOM 245 CG GLN A 25 -8.984 10.082 -1.546 1.00 0.00 C ATOM 246 CD GLN A 25 -10.126 11.088 -1.567 1.00 0.00 C ATOM 247 OE1 GLN A 25 -10.907 11.160 -0.617 1.00 0.00 O ATOM 248 NE2 GLN A 25 -10.236 11.861 -2.609 1.00 0.00 N ATOM 0 H GLN A 25 -6.456 7.909 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.256 7.551 -2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.035 10.357 -3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.445 9.317 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.278 9.232 -0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.122 10.542 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.573 11.776 -3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.985 12.551 -2.655 1.00 0.00 H new ATOM 257 N GLU A 26 -6.026 7.260 -4.220 1.00 0.00 N ATOM 258 CA GLU A 26 -5.479 6.619 -5.381 1.00 0.00 C ATOM 259 C GLU A 26 -5.619 5.114 -5.177 1.00 0.00 C ATOM 260 O GLU A 26 -5.480 4.629 -4.036 1.00 0.00 O ATOM 261 CB GLU A 26 -3.997 7.017 -5.533 1.00 0.00 C ATOM 262 CG GLU A 26 -3.284 6.428 -6.738 1.00 0.00 C ATOM 263 CD GLU A 26 -3.913 6.836 -8.037 1.00 0.00 C ATOM 264 OE1 GLU A 26 -4.910 6.211 -8.446 1.00 0.00 O ATOM 265 OE2 GLU A 26 -3.409 7.756 -8.701 1.00 0.00 O1- ATOM 0 H GLU A 26 -5.392 7.266 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.003 6.922 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.934 8.104 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.463 6.714 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.241 6.744 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.288 5.341 -6.662 1.00 0.00 H new ATOM 272 N ASP A 27 -5.941 4.401 -6.228 1.00 0.00 N ATOM 273 CA ASP A 27 -6.096 2.953 -6.140 1.00 0.00 C ATOM 274 C ASP A 27 -4.767 2.289 -6.432 1.00 0.00 C ATOM 275 O ASP A 27 -4.074 2.666 -7.381 1.00 0.00 O ATOM 276 CB ASP A 27 -7.180 2.412 -7.097 1.00 0.00 C ATOM 277 CG ASP A 27 -8.584 2.916 -6.808 1.00 0.00 C ATOM 278 OD1 ASP A 27 -9.116 3.713 -7.615 1.00 0.00 O ATOM 279 OD2 ASP A 27 -9.187 2.521 -5.791 1.00 0.00 O1- ATOM 0 H ASP A 27 -6.103 4.790 -7.157 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.423 2.717 -5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.913 2.683 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.181 1.323 -7.046 1.00 0.00 H new ATOM 284 N VAL A 28 -4.399 1.346 -5.607 1.00 0.00 N ATOM 285 CA VAL A 28 -3.127 0.624 -5.702 1.00 0.00 C ATOM 286 C VAL A 28 -3.302 -0.831 -5.300 1.00 0.00 C ATOM 287 O VAL A 28 -4.228 -1.168 -4.560 1.00 0.00 O ATOM 288 CB VAL A 28 -2.039 1.258 -4.788 1.00 0.00 C ATOM 289 CG1 VAL A 28 -1.486 2.519 -5.397 1.00 0.00 C ATOM 290 CG2 VAL A 28 -2.642 1.582 -3.438 1.00 0.00 C ATOM 0 H VAL A 28 -4.979 1.040 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.805 0.689 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.226 0.541 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.728 2.940 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.038 2.290 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.291 3.241 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.881 2.026 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.464 2.286 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.016 0.667 -2.978 1.00 0.00 H new ATOM 300 N PHE A 29 -2.438 -1.691 -5.795 1.00 0.00 N ATOM 301 CA PHE A 29 -2.471 -3.087 -5.397 1.00 0.00 C ATOM 302 C PHE A 29 -1.632 -3.278 -4.147 1.00 0.00 C ATOM 303 O PHE A 29 -0.571 -2.670 -4.029 1.00 0.00 O ATOM 304 CB PHE A 29 -1.957 -4.022 -6.500 1.00 0.00 C ATOM 305 CG PHE A 29 -2.922 -4.328 -7.590 1.00 0.00 C ATOM 306 CD1 PHE A 29 -2.802 -3.745 -8.831 1.00 0.00 C ATOM 307 CD2 PHE A 29 -3.945 -5.234 -7.377 1.00 0.00 C ATOM 308 CE1 PHE A 29 -3.684 -4.055 -9.842 1.00 0.00 C ATOM 309 CE2 PHE A 29 -4.830 -5.544 -8.379 1.00 0.00 C ATOM 310 CZ PHE A 29 -4.700 -4.954 -9.613 1.00 0.00 C ATOM 0 H PHE A 29 -1.709 -1.454 -6.468 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.512 -3.346 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.067 -3.576 -6.943 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.648 -4.960 -6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.007 -3.037 -9.014 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.049 -5.703 -6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.578 -3.593 -10.813 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.627 -6.250 -8.198 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.395 -5.196 -10.403 1.00 0.00 H new ATOM 320 N ILE A 30 -2.116 -4.096 -3.224 1.00 0.00 N ATOM 321 CA ILE A 30 -1.428 -4.388 -1.957 1.00 0.00 C ATOM 322 C ILE A 30 -1.192 -5.864 -1.826 1.00 0.00 C ATOM 323 O ILE A 30 -2.115 -6.668 -1.926 1.00 0.00 O ATOM 324 CB ILE A 30 -2.219 -3.880 -0.679 1.00 0.00 C ATOM 325 CG1 ILE A 30 -2.055 -2.380 -0.451 1.00 0.00 C ATOM 326 CG2 ILE A 30 -1.814 -4.630 0.596 1.00 0.00 C ATOM 327 CD1 ILE A 30 -2.489 -1.517 -1.586 1.00 0.00 C ATOM 0 H ILE A 30 -3.005 -4.585 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.484 -3.845 -1.994 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.268 -4.089 -0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.622 -2.099 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.006 -2.173 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.384 -4.245 1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.020 -5.693 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.749 -4.486 0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.333 -0.470 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.906 -1.762 -2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.546 -1.687 -1.789 1.00 0.00 H new ATOM 339 N LYS A 31 0.040 -6.197 -1.644 1.00 0.00 N ATOM 340 CA LYS A 31 0.473 -7.541 -1.455 1.00 0.00 C ATOM 341 C LYS A 31 0.470 -7.896 0.011 1.00 0.00 C ATOM 342 O LYS A 31 1.030 -7.184 0.828 1.00 0.00 O ATOM 343 CB LYS A 31 1.870 -7.702 -2.033 1.00 0.00 C ATOM 344 CG LYS A 31 2.535 -9.025 -1.738 1.00 0.00 C ATOM 345 CD LYS A 31 3.947 -9.059 -2.265 1.00 0.00 C ATOM 346 CE LYS A 31 4.647 -10.319 -1.824 1.00 0.00 C ATOM 347 NZ LYS A 31 6.034 -10.376 -2.321 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.801 -5.518 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.213 -8.215 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.817 -7.573 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.501 -6.901 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.542 -9.199 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.957 -9.833 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.936 -9.004 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.496 -8.188 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.648 -10.372 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.095 -11.187 -2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.483 -11.257 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.032 -10.350 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.567 -9.561 -1.956 1.00 0.00 H new ATOM 361 N CYS A 32 -0.177 -8.964 0.341 1.00 0.00 N ATOM 362 CA CYS A 32 -0.137 -9.451 1.686 1.00 0.00 C ATOM 363 C CYS A 32 0.983 -10.477 1.787 1.00 0.00 C ATOM 364 O CYS A 32 1.585 -10.844 0.762 1.00 0.00 O ATOM 365 CB CYS A 32 -1.480 -10.056 2.080 1.00 0.00 C ATOM 366 SG CYS A 32 -1.978 -11.465 1.063 1.00 0.00 S ATOM 0 H CYS A 32 -0.742 -9.520 -0.301 1.00 0.00 H new ATOM 0 HA CYS A 32 0.057 -8.631 2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.433 -10.372 3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.247 -9.285 2.015 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.190 -11.818 1.374 1.00 0.00 H new ATOM 372 N ASN A 33 1.262 -10.951 2.985 1.00 0.00 N ATOM 373 CA ASN A 33 2.329 -11.928 3.209 1.00 0.00 C ATOM 374 C ASN A 33 2.067 -13.242 2.459 1.00 0.00 C ATOM 375 O ASN A 33 2.989 -13.965 2.128 1.00 0.00 O ATOM 376 CB ASN A 33 2.537 -12.180 4.712 1.00 0.00 C ATOM 377 CG ASN A 33 3.681 -13.146 5.005 1.00 0.00 C ATOM 378 OD1 ASN A 33 3.489 -14.363 5.080 1.00 0.00 O ATOM 379 ND2 ASN A 33 4.871 -12.619 5.189 1.00 0.00 N ATOM 0 H ASN A 33 0.763 -10.677 3.831 1.00 0.00 H new ATOM 0 HA ASN A 33 3.248 -11.504 2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.735 -11.231 5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.616 -12.577 5.138 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.668 -13.220 5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.998 -11.609 5.120 1.00 0.00 H new ATOM 386 N ASP A 34 0.806 -13.520 2.149 1.00 0.00 N ATOM 387 CA ASP A 34 0.456 -14.733 1.393 1.00 0.00 C ATOM 388 C ASP A 34 0.805 -14.565 -0.094 1.00 0.00 C ATOM 389 O ASP A 34 0.825 -15.523 -0.859 1.00 0.00 O ATOM 390 CB ASP A 34 -1.032 -15.098 1.575 1.00 0.00 C ATOM 391 CG ASP A 34 -1.438 -16.384 0.854 1.00 0.00 C ATOM 392 OD1 ASP A 34 -2.264 -16.329 -0.071 1.00 0.00 O ATOM 393 OD2 ASP A 34 -0.949 -17.469 1.213 1.00 0.00 O1- ATOM 0 H ASP A 34 0.011 -12.934 2.403 1.00 0.00 H new ATOM 0 HA ASP A 34 1.047 -15.558 1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.244 -15.205 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.647 -14.276 1.209 1.00 0.00 H new ATOM 398 N GLY A 35 1.115 -13.343 -0.491 1.00 0.00 N ATOM 399 CA GLY A 35 1.502 -13.075 -1.865 1.00 0.00 C ATOM 400 C GLY A 35 0.341 -12.624 -2.716 1.00 0.00 C ATOM 401 O GLY A 35 0.475 -12.449 -3.923 1.00 0.00 O ATOM 0 H GLY A 35 1.106 -12.523 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.277 -12.308 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.937 -13.975 -2.298 1.00 0.00 H new ATOM 405 N ARG A 36 -0.789 -12.423 -2.092 1.00 0.00 N ATOM 406 CA ARG A 36 -1.985 -12.008 -2.798 1.00 0.00 C ATOM 407 C ARG A 36 -1.986 -10.517 -2.936 1.00 0.00 C ATOM 408 O ARG A 36 -1.537 -9.813 -2.029 1.00 0.00 O ATOM 409 CB ARG A 36 -3.240 -12.409 -2.029 1.00 0.00 C ATOM 410 CG ARG A 36 -3.337 -13.866 -1.664 1.00 0.00 C ATOM 411 CD ARG A 36 -3.455 -14.769 -2.872 1.00 0.00 C ATOM 412 NE ARG A 36 -3.493 -16.171 -2.456 1.00 0.00 N ATOM 413 CZ ARG A 36 -4.143 -17.156 -3.085 1.00 0.00 C ATOM 414 NH1 ARG A 36 -4.842 -16.910 -4.198 1.00 0.00 N1+ ATOM 415 NH2 ARG A 36 -4.117 -18.383 -2.579 1.00 0.00 N ATOM 0 H ARG A 36 -0.913 -12.540 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.987 -12.493 -3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.289 -11.819 -1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.112 -12.143 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.456 -14.151 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.202 -14.017 -1.018 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.358 -14.524 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.611 -14.604 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.978 -16.419 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.883 -15.963 -4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.334 -17.669 -4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.604 -18.568 -1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.610 -19.140 -3.052 1.00 0.00 H new ATOM 429 N PHE A 37 -2.467 -10.044 -4.047 1.00 0.00 N ATOM 430 CA PHE A 37 -2.622 -8.638 -4.254 1.00 0.00 C ATOM 431 C PHE A 37 -4.072 -8.251 -4.171 1.00 0.00 C ATOM 432 O PHE A 37 -4.944 -8.871 -4.801 1.00 0.00 O ATOM 433 CB PHE A 37 -2.024 -8.164 -5.573 1.00 0.00 C ATOM 434 CG PHE A 37 -0.575 -7.782 -5.496 1.00 0.00 C ATOM 435 CD1 PHE A 37 -0.220 -6.561 -4.961 1.00 0.00 C ATOM 436 CD2 PHE A 37 0.418 -8.602 -5.983 1.00 0.00 C ATOM 437 CE1 PHE A 37 1.079 -6.151 -4.907 1.00 0.00 C ATOM 438 CE2 PHE A 37 1.741 -8.206 -5.925 1.00 0.00 C ATOM 439 CZ PHE A 37 2.073 -6.973 -5.388 1.00 0.00 C ATOM 0 H PHE A 37 -2.762 -10.622 -4.834 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.067 -8.142 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.140 -8.954 -6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.595 -7.306 -5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.992 -5.912 -4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.162 -9.559 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.327 -5.186 -4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.516 -8.858 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.105 -6.658 -5.347 1.00 0.00 H new ATOM 449 N TYR A 38 -4.326 -7.263 -3.379 1.00 0.00 N ATOM 450 CA TYR A 38 -5.635 -6.720 -3.186 1.00 0.00 C ATOM 451 C TYR A 38 -5.635 -5.298 -3.679 1.00 0.00 C ATOM 452 O TYR A 38 -4.795 -4.514 -3.269 1.00 0.00 O ATOM 453 CB TYR A 38 -5.991 -6.729 -1.697 1.00 0.00 C ATOM 454 CG TYR A 38 -6.052 -8.094 -1.069 1.00 0.00 C ATOM 455 CD1 TYR A 38 -4.909 -8.703 -0.574 1.00 0.00 C ATOM 456 CD2 TYR A 38 -7.254 -8.770 -0.964 1.00 0.00 C ATOM 457 CE1 TYR A 38 -4.963 -9.950 0.001 1.00 0.00 C ATOM 458 CE2 TYR A 38 -7.318 -10.018 -0.388 1.00 0.00 C ATOM 459 CZ TYR A 38 -6.167 -10.603 0.092 1.00 0.00 C ATOM 460 OH TYR A 38 -6.222 -11.864 0.646 1.00 0.00 O ATOM 0 H TYR A 38 -3.606 -6.794 -2.829 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.365 -7.318 -3.731 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.256 -6.130 -1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.957 -6.241 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.961 -8.189 -0.641 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.157 -8.311 -1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.064 -10.413 0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.263 -10.535 -0.313 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.148 -12.185 0.636 1.00 0.00 H new ATOM 470 N LEU A 39 -6.515 -4.980 -4.577 1.00 0.00 N ATOM 471 CA LEU A 39 -6.623 -3.622 -5.053 1.00 0.00 C ATOM 472 C LEU A 39 -7.392 -2.793 -4.030 1.00 0.00 C ATOM 473 O LEU A 39 -8.525 -3.143 -3.664 1.00 0.00 O ATOM 474 CB LEU A 39 -7.280 -3.587 -6.450 1.00 0.00 C ATOM 475 CG LEU A 39 -7.437 -2.205 -7.115 1.00 0.00 C ATOM 476 CD1 LEU A 39 -6.131 -1.467 -7.097 1.00 0.00 C ATOM 477 CD2 LEU A 39 -7.869 -2.361 -8.553 1.00 0.00 C ATOM 0 H LEU A 39 -7.172 -5.636 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.630 -3.187 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.693 -4.219 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.269 -4.039 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.189 -1.648 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.257 -0.493 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.804 -1.330 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.381 -2.041 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.976 -1.377 -9.010 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.119 -2.935 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.824 -2.884 -8.591 1.00 0.00 H new ATOM 489 N GLY A 40 -6.759 -1.745 -3.538 1.00 0.00 N ATOM 490 CA GLY A 40 -7.352 -0.903 -2.534 1.00 0.00 C ATOM 491 C GLY A 40 -7.102 0.559 -2.805 1.00 0.00 C ATOM 492 O GLY A 40 -6.311 0.904 -3.678 1.00 0.00 O ATOM 0 H GLY A 40 -5.823 -1.460 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.426 -1.086 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.948 -1.165 -1.556 1.00 0.00 H new ATOM 496 N THR A 41 -7.750 1.404 -2.054 1.00 0.00 N ATOM 497 CA THR A 41 -7.648 2.833 -2.205 1.00 0.00 C ATOM 498 C THR A 41 -6.939 3.434 -0.965 1.00 0.00 C ATOM 499 O THR A 41 -7.302 3.130 0.161 1.00 0.00 O ATOM 500 CB THR A 41 -9.070 3.407 -2.303 1.00 0.00 C ATOM 501 OG1 THR A 41 -9.831 2.613 -3.238 1.00 0.00 O ATOM 502 CG2 THR A 41 -9.045 4.851 -2.776 1.00 0.00 C ATOM 0 H THR A 41 -8.378 1.115 -1.303 1.00 0.00 H new ATOM 0 HA THR A 41 -7.075 3.078 -3.099 1.00 0.00 H new ATOM 0 HB THR A 41 -9.528 3.378 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.445 2.704 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.065 5.232 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.473 5.455 -2.071 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.579 4.903 -3.760 1.00 0.00 H new ATOM 510 N ILE A 42 -5.928 4.255 -1.169 1.00 0.00 N ATOM 511 CA ILE A 42 -5.185 4.843 -0.037 1.00 0.00 C ATOM 512 C ILE A 42 -6.009 5.923 0.648 1.00 0.00 C ATOM 513 O ILE A 42 -6.629 6.740 -0.017 1.00 0.00 O ATOM 514 CB ILE A 42 -3.847 5.472 -0.487 1.00 0.00 C ATOM 515 CG1 ILE A 42 -3.095 4.484 -1.360 1.00 0.00 C ATOM 516 CG2 ILE A 42 -2.998 5.852 0.742 1.00 0.00 C ATOM 517 CD1 ILE A 42 -1.774 4.961 -1.841 1.00 0.00 C ATOM 0 H ILE A 42 -5.594 4.537 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.981 4.025 0.654 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.048 6.377 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.950 3.561 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.714 4.239 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.058 6.294 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.543 6.572 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.792 4.959 1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.311 4.190 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.908 5.866 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.132 5.178 -0.987 1.00 0.00 H new ATOM 529 N ILE A 43 -6.014 5.925 1.957 1.00 0.00 N ATOM 530 CA ILE A 43 -6.733 6.940 2.705 1.00 0.00 C ATOM 531 C ILE A 43 -5.821 7.792 3.561 1.00 0.00 C ATOM 532 O ILE A 43 -6.083 8.973 3.757 1.00 0.00 O ATOM 533 CB ILE A 43 -7.863 6.392 3.593 1.00 0.00 C ATOM 534 CG1 ILE A 43 -7.377 5.292 4.536 1.00 0.00 C ATOM 535 CG2 ILE A 43 -9.021 5.915 2.753 1.00 0.00 C ATOM 536 CD1 ILE A 43 -7.378 3.925 3.969 1.00 0.00 C ATOM 0 H ILE A 43 -5.529 5.237 2.533 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.185 7.552 1.925 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.208 7.215 4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.364 5.533 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.004 5.298 5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.808 5.532 3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.409 6.746 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.684 5.122 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.016 3.220 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.392 3.654 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.726 3.893 3.096 1.00 0.00 H new ATOM 548 N ASP A 44 -4.751 7.218 4.064 1.00 0.00 N ATOM 549 CA ASP A 44 -3.844 7.967 4.933 1.00 0.00 C ATOM 550 C ASP A 44 -2.448 7.461 4.694 1.00 0.00 C ATOM 551 O ASP A 44 -2.281 6.341 4.212 1.00 0.00 O ATOM 552 CB ASP A 44 -4.220 7.800 6.416 1.00 0.00 C ATOM 553 CG ASP A 44 -3.582 8.846 7.323 1.00 0.00 C ATOM 554 OD1 ASP A 44 -4.230 9.863 7.614 1.00 0.00 O ATOM 555 OD2 ASP A 44 -2.443 8.672 7.758 1.00 0.00 O1- ATOM 0 H ASP A 44 -4.482 6.249 3.895 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.915 9.029 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.304 7.855 6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.918 6.807 6.750 1.00 0.00 H new ATOM 560 N GLN A 45 -1.463 8.250 4.996 1.00 0.00 N ATOM 561 CA GLN A 45 -0.106 7.870 4.747 1.00 0.00 C ATOM 562 C GLN A 45 0.799 8.357 5.838 1.00 0.00 C ATOM 563 O GLN A 45 0.606 9.451 6.384 1.00 0.00 O ATOM 564 CB GLN A 45 0.350 8.408 3.389 1.00 0.00 C ATOM 565 CG GLN A 45 0.318 9.923 3.224 1.00 0.00 C ATOM 566 CD GLN A 45 1.695 10.563 3.302 1.00 0.00 C ATOM 567 OE1 GLN A 45 2.374 10.712 2.295 1.00 0.00 O ATOM 568 NE2 GLN A 45 2.107 10.955 4.470 1.00 0.00 N ATOM 0 H GLN A 45 -1.576 9.171 5.420 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.052 6.781 4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.368 8.064 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.278 7.965 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.136 10.168 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.320 10.353 3.997 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.518 10.817 5.291 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.019 11.401 4.566 1.00 0.00 H new ATOM 577 N THR A 46 1.750 7.566 6.170 1.00 0.00 N ATOM 578 CA THR A 46 2.755 7.954 7.090 1.00 0.00 C ATOM 579 C THR A 46 4.074 7.953 6.327 1.00 0.00 C ATOM 580 O THR A 46 4.083 7.738 5.106 1.00 0.00 O ATOM 581 CB THR A 46 2.831 7.002 8.318 1.00 0.00 C ATOM 582 OG1 THR A 46 3.060 5.658 7.899 1.00 0.00 O ATOM 583 CG2 THR A 46 1.566 7.063 9.160 1.00 0.00 C ATOM 0 H THR A 46 1.855 6.619 5.807 1.00 0.00 H new ATOM 0 HA THR A 46 2.527 8.941 7.492 1.00 0.00 H new ATOM 0 HB THR A 46 3.666 7.339 8.932 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.559 5.482 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.660 6.384 10.007 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.420 8.080 9.525 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.710 6.769 8.552 1.00 0.00 H new ATOM 591 N SER A 47 5.170 8.169 7.003 1.00 0.00 N ATOM 592 CA SER A 47 6.457 8.165 6.351 1.00 0.00 C ATOM 593 C SER A 47 6.902 6.720 6.069 1.00 0.00 C ATOM 594 O SER A 47 7.830 6.475 5.292 1.00 0.00 O ATOM 595 CB SER A 47 7.493 8.929 7.206 1.00 0.00 C ATOM 596 OG SER A 47 8.732 9.105 6.524 1.00 0.00 O ATOM 0 H SER A 47 5.200 8.350 8.006 1.00 0.00 H new ATOM 0 HA SER A 47 6.378 8.680 5.394 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.089 9.904 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.666 8.386 8.135 1.00 0.00 H new ATOM 0 HG SER A 47 9.356 9.594 7.100 1.00 0.00 H new ATOM 602 N ASP A 48 6.213 5.772 6.669 1.00 0.00 N ATOM 603 CA ASP A 48 6.566 4.379 6.500 1.00 0.00 C ATOM 604 C ASP A 48 5.486 3.599 5.824 1.00 0.00 C ATOM 605 O ASP A 48 5.757 2.805 4.948 1.00 0.00 O ATOM 606 CB ASP A 48 6.878 3.701 7.829 1.00 0.00 C ATOM 607 CG ASP A 48 8.137 4.180 8.476 1.00 0.00 C ATOM 608 OD1 ASP A 48 8.078 5.092 9.325 1.00 0.00 O ATOM 609 OD2 ASP A 48 9.219 3.625 8.167 1.00 0.00 O1- ATOM 0 H ASP A 48 5.410 5.939 7.275 1.00 0.00 H new ATOM 0 HA ASP A 48 7.457 4.384 5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.045 3.865 8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.951 2.625 7.668 1.00 0.00 H new ATOM 614 N GLN A 49 4.264 3.830 6.205 1.00 0.00 N ATOM 615 CA GLN A 49 3.179 2.989 5.760 1.00 0.00 C ATOM 616 C GLN A 49 2.065 3.784 5.138 1.00 0.00 C ATOM 617 O GLN A 49 2.012 5.008 5.244 1.00 0.00 O ATOM 618 CB GLN A 49 2.648 2.142 6.923 1.00 0.00 C ATOM 619 CG GLN A 49 3.651 1.113 7.430 1.00 0.00 C ATOM 620 CD GLN A 49 3.169 0.348 8.639 1.00 0.00 C ATOM 621 OE1 GLN A 49 2.533 -0.696 8.525 1.00 0.00 O ATOM 622 NE2 GLN A 49 3.464 0.857 9.798 1.00 0.00 N ATOM 0 H GLN A 49 3.988 4.593 6.823 1.00 0.00 H new ATOM 0 HA GLN A 49 3.575 2.328 4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.368 2.801 7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.741 1.628 6.604 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.873 0.408 6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.584 1.618 7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.994 1.727 9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.165 0.387 10.652 1.00 0.00 H new ATOM 631 N TYR A 50 1.199 3.090 4.471 1.00 0.00 N ATOM 632 CA TYR A 50 0.062 3.672 3.834 1.00 0.00 C ATOM 633 C TYR A 50 -1.181 2.941 4.272 1.00 0.00 C ATOM 634 O TYR A 50 -1.217 1.712 4.261 1.00 0.00 O ATOM 635 CB TYR A 50 0.216 3.616 2.309 1.00 0.00 C ATOM 636 CG TYR A 50 1.346 4.477 1.792 1.00 0.00 C ATOM 637 CD1 TYR A 50 1.098 5.783 1.453 1.00 0.00 C ATOM 638 CD2 TYR A 50 2.666 4.004 1.683 1.00 0.00 C ATOM 639 CE1 TYR A 50 2.101 6.610 1.024 1.00 0.00 C ATOM 640 CE2 TYR A 50 3.667 4.826 1.247 1.00 0.00 C ATOM 641 CZ TYR A 50 3.382 6.129 0.925 1.00 0.00 C ATOM 642 OH TYR A 50 4.380 6.950 0.495 1.00 0.00 O ATOM 0 H TYR A 50 1.265 2.079 4.352 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.019 4.720 4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.387 2.583 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.717 3.935 1.844 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.091 6.166 1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.891 2.981 1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.885 7.636 0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.676 4.452 1.156 1.00 0.00 H new ATOM 0 HH TYR A 50 5.232 6.466 0.513 1.00 0.00 H new ATOM 652 N LEU A 51 -2.171 3.685 4.696 1.00 0.00 N ATOM 653 CA LEU A 51 -3.415 3.116 5.128 1.00 0.00 C ATOM 654 C LEU A 51 -4.226 2.900 3.897 1.00 0.00 C ATOM 655 O LEU A 51 -4.497 3.859 3.153 1.00 0.00 O ATOM 656 CB LEU A 51 -4.162 4.063 6.089 1.00 0.00 C ATOM 657 CG LEU A 51 -5.406 3.494 6.779 1.00 0.00 C ATOM 658 CD1 LEU A 51 -5.063 2.284 7.608 1.00 0.00 C ATOM 659 CD2 LEU A 51 -6.084 4.551 7.633 1.00 0.00 C ATOM 0 H LEU A 51 -2.134 4.703 4.750 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.241 2.186 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.463 4.388 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.458 4.952 5.531 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.103 3.184 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.965 1.902 8.085 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.638 1.512 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.337 2.561 8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.964 4.122 8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.390 4.902 8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.385 5.389 7.004 1.00 0.00 H new ATOM 671 N ILE A 52 -4.527 1.674 3.615 1.00 0.00 N ATOM 672 CA ILE A 52 -5.263 1.337 2.424 1.00 0.00 C ATOM 673 C ILE A 52 -6.648 0.849 2.786 1.00 0.00 C ATOM 674 O ILE A 52 -6.787 0.010 3.669 1.00 0.00 O ATOM 675 CB ILE A 52 -4.533 0.247 1.605 1.00 0.00 C ATOM 676 CG1 ILE A 52 -3.035 0.569 1.508 1.00 0.00 C ATOM 677 CG2 ILE A 52 -5.139 0.133 0.209 1.00 0.00 C ATOM 678 CD1 ILE A 52 -2.736 1.895 0.859 1.00 0.00 C ATOM 0 H ILE A 52 -4.274 0.875 4.197 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.339 2.238 1.815 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.654 -0.709 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.606 0.561 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.540 -0.221 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.614 -0.638 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.193 -0.132 0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.044 1.088 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.658 2.050 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.133 1.901 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.201 2.695 1.435 1.00 0.00 H new ATOM 690 N ARG A 53 -7.647 1.389 2.130 1.00 0.00 N ATOM 691 CA ARG A 53 -8.999 0.989 2.327 1.00 0.00 C ATOM 692 C ARG A 53 -9.415 0.176 1.137 1.00 0.00 C ATOM 693 O ARG A 53 -9.384 0.640 0.006 1.00 0.00 O ATOM 694 CB ARG A 53 -9.941 2.192 2.559 1.00 0.00 C ATOM 695 CG ARG A 53 -11.369 1.793 2.865 1.00 0.00 C ATOM 696 CD ARG A 53 -12.096 2.861 3.673 1.00 0.00 C ATOM 697 NE ARG A 53 -12.228 4.138 2.986 1.00 0.00 N ATOM 698 CZ ARG A 53 -12.230 5.336 3.597 1.00 0.00 C ATOM 699 NH1 ARG A 53 -11.760 5.474 4.842 1.00 0.00 N1+ ATOM 700 NH2 ARG A 53 -12.594 6.407 2.922 1.00 0.00 N ATOM 0 H ARG A 53 -7.531 2.128 1.437 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.072 0.389 3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.555 2.791 3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.932 2.826 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.904 1.616 1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.373 0.854 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.090 2.494 3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.563 3.018 4.610 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.326 4.123 1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.393 4.664 5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.768 6.389 5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.871 6.324 1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.599 7.320 3.377 1.00 0.00 H new ATOM 714 N PHE A 54 -9.728 -1.041 1.394 1.00 0.00 N ATOM 715 CA PHE A 54 -10.099 -1.984 0.381 1.00 0.00 C ATOM 716 C PHE A 54 -11.582 -1.903 0.121 1.00 0.00 C ATOM 717 O PHE A 54 -12.280 -1.118 0.765 1.00 0.00 O ATOM 718 CB PHE A 54 -9.665 -3.388 0.791 1.00 0.00 C ATOM 719 CG PHE A 54 -8.172 -3.483 1.016 1.00 0.00 C ATOM 720 CD1 PHE A 54 -7.620 -3.283 2.278 1.00 0.00 C ATOM 721 CD2 PHE A 54 -7.322 -3.737 -0.041 1.00 0.00 C ATOM 722 CE1 PHE A 54 -6.253 -3.338 2.469 1.00 0.00 C ATOM 723 CE2 PHE A 54 -5.958 -3.799 0.147 1.00 0.00 C ATOM 724 CZ PHE A 54 -5.424 -3.597 1.402 1.00 0.00 C ATOM 0 H PHE A 54 -9.736 -1.428 2.338 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.588 -1.742 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.187 -3.676 1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.960 -4.098 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.268 -3.082 3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.731 -3.889 -1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.836 -3.178 3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.307 -4.006 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.355 -3.642 1.547 1.00 0.00 H new ATOM 734 N ASP A 55 -12.066 -2.707 -0.799 1.00 0.00 N ATOM 735 CA ASP A 55 -13.471 -2.676 -1.218 1.00 0.00 C ATOM 736 C ASP A 55 -14.432 -2.941 -0.067 1.00 0.00 C ATOM 737 O ASP A 55 -15.496 -2.339 0.010 1.00 0.00 O ATOM 738 CB ASP A 55 -13.722 -3.663 -2.353 1.00 0.00 C ATOM 739 CG ASP A 55 -15.182 -3.746 -2.751 1.00 0.00 C ATOM 740 OD1 ASP A 55 -15.867 -4.720 -2.352 1.00 0.00 O ATOM 741 OD2 ASP A 55 -15.667 -2.851 -3.461 1.00 0.00 O1- ATOM 0 H ASP A 55 -11.505 -3.406 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.666 -1.665 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.130 -3.370 -3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.376 -4.652 -2.051 1.00 0.00 H new ATOM 746 N ASP A 56 -14.025 -3.760 0.883 1.00 0.00 N ATOM 747 CA ASP A 56 -14.898 -4.051 2.036 1.00 0.00 C ATOM 748 C ASP A 56 -14.720 -2.970 3.102 1.00 0.00 C ATOM 749 O ASP A 56 -15.206 -3.072 4.211 1.00 0.00 O ATOM 750 CB ASP A 56 -14.613 -5.454 2.613 1.00 0.00 C ATOM 751 CG ASP A 56 -15.654 -5.909 3.636 1.00 0.00 C ATOM 752 OD1 ASP A 56 -15.378 -5.891 4.859 1.00 0.00 O ATOM 753 OD2 ASP A 56 -16.777 -6.296 3.217 1.00 0.00 O1- ATOM 0 H ASP A 56 -13.121 -4.232 0.895 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.935 -4.046 1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.577 -6.175 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.629 -5.454 3.082 1.00 0.00 H new ATOM 758 N GLN A 57 -14.006 -1.916 2.718 1.00 0.00 N ATOM 759 CA GLN A 57 -13.743 -0.740 3.544 1.00 0.00 C ATOM 760 C GLN A 57 -12.795 -1.072 4.674 1.00 0.00 C ATOM 761 O GLN A 57 -12.676 -0.344 5.654 1.00 0.00 O ATOM 762 CB GLN A 57 -15.039 -0.083 4.034 1.00 0.00 C ATOM 763 CG GLN A 57 -15.952 0.379 2.900 1.00 0.00 C ATOM 764 CD GLN A 57 -15.314 1.426 2.001 1.00 0.00 C ATOM 765 OE1 GLN A 57 -15.400 2.610 2.265 1.00 0.00 O ATOM 766 NE2 GLN A 57 -14.704 1.004 0.923 1.00 0.00 N ATOM 0 H GLN A 57 -13.580 -1.854 1.793 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.247 0.003 2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.581 -0.790 4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -14.789 0.773 4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.235 -0.484 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.870 0.786 3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.647 0.005 0.727 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.285 1.674 0.278 1.00 0.00 H new ATOM 775 N SER A 58 -12.108 -2.172 4.496 1.00 0.00 N ATOM 776 CA SER A 58 -11.087 -2.621 5.385 1.00 0.00 C ATOM 777 C SER A 58 -9.897 -1.679 5.248 1.00 0.00 C ATOM 778 O SER A 58 -9.471 -1.412 4.131 1.00 0.00 O ATOM 779 CB SER A 58 -10.674 -4.005 4.924 1.00 0.00 C ATOM 780 OG SER A 58 -11.823 -4.802 4.630 1.00 0.00 O ATOM 0 H SER A 58 -12.255 -2.794 3.701 1.00 0.00 H new ATOM 0 HA SER A 58 -11.430 -2.641 6.419 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.044 -3.926 4.038 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.078 -4.489 5.698 1.00 0.00 H new ATOM 0 HG SER A 58 -11.537 -5.691 4.332 1.00 0.00 H new ATOM 786 N GLU A 59 -9.399 -1.165 6.340 1.00 0.00 N ATOM 787 CA GLU A 59 -8.272 -0.265 6.296 1.00 0.00 C ATOM 788 C GLU A 59 -7.090 -0.915 6.993 1.00 0.00 C ATOM 789 O GLU A 59 -7.221 -1.414 8.112 1.00 0.00 O ATOM 790 CB GLU A 59 -8.640 1.056 6.962 1.00 0.00 C ATOM 791 CG GLU A 59 -9.843 1.713 6.316 1.00 0.00 C ATOM 792 CD GLU A 59 -10.286 2.975 6.987 1.00 0.00 C ATOM 793 OE1 GLU A 59 -10.860 2.896 8.087 1.00 0.00 O ATOM 794 OE2 GLU A 59 -10.115 4.064 6.416 1.00 0.00 O1- ATOM 0 H GLU A 59 -9.756 -1.354 7.277 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.999 -0.058 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.848 0.882 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.788 1.735 6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.608 1.932 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.672 1.005 6.314 1.00 0.00 H new ATOM 801 N GLN A 60 -5.971 -0.968 6.320 1.00 0.00 N ATOM 802 CA GLN A 60 -4.756 -1.566 6.874 1.00 0.00 C ATOM 803 C GLN A 60 -3.560 -0.716 6.533 1.00 0.00 C ATOM 804 O GLN A 60 -3.528 -0.087 5.468 1.00 0.00 O ATOM 805 CB GLN A 60 -4.498 -2.982 6.323 1.00 0.00 C ATOM 806 CG GLN A 60 -5.541 -4.027 6.678 1.00 0.00 C ATOM 807 CD GLN A 60 -5.165 -5.413 6.176 1.00 0.00 C ATOM 808 OE1 GLN A 60 -3.985 -5.763 6.074 1.00 0.00 O ATOM 809 NE2 GLN A 60 -6.152 -6.210 5.870 1.00 0.00 N ATOM 0 H GLN A 60 -5.862 -0.603 5.374 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.903 -1.627 7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.426 -2.922 5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.529 -3.323 6.688 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.668 -4.057 7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.502 -3.737 6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.115 -5.889 5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.960 -7.154 5.535 1.00 0.00 H new ATOM 818 N TRP A 61 -2.581 -0.709 7.402 1.00 0.00 N ATOM 819 CA TRP A 61 -1.353 -0.004 7.151 1.00 0.00 C ATOM 820 C TRP A 61 -0.412 -0.938 6.447 1.00 0.00 C ATOM 821 O TRP A 61 -0.040 -1.990 6.982 1.00 0.00 O ATOM 822 CB TRP A 61 -0.730 0.535 8.448 1.00 0.00 C ATOM 823 CG TRP A 61 -1.463 1.697 9.021 1.00 0.00 C ATOM 824 CD1 TRP A 61 -2.353 1.693 10.050 1.00 0.00 C ATOM 825 CD2 TRP A 61 -1.373 3.044 8.570 1.00 0.00 C ATOM 826 NE1 TRP A 61 -2.820 2.968 10.272 1.00 0.00 N ATOM 827 CE2 TRP A 61 -2.233 3.816 9.360 1.00 0.00 C ATOM 828 CE3 TRP A 61 -0.644 3.666 7.565 1.00 0.00 C ATOM 829 CZ2 TRP A 61 -2.376 5.189 9.169 1.00 0.00 C ATOM 830 CZ3 TRP A 61 -0.789 5.015 7.372 1.00 0.00 C ATOM 831 CH2 TRP A 61 -1.643 5.760 8.162 1.00 0.00 C ATOM 0 H TRP A 61 -2.614 -1.191 8.300 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.556 0.864 6.524 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.700 -0.266 9.187 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.302 0.827 8.252 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.649 0.818 10.610 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.489 3.240 10.992 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.029 3.094 6.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.036 5.778 9.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.227 5.503 6.590 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.735 6.821 7.981 1.00 0.00 H new ATOM 842 N CYS A 62 -0.097 -0.605 5.244 1.00 0.00 N ATOM 843 CA CYS A 62 0.712 -1.428 4.416 1.00 0.00 C ATOM 844 C CYS A 62 2.003 -0.710 4.056 1.00 0.00 C ATOM 845 O CYS A 62 2.022 0.514 3.910 1.00 0.00 O ATOM 846 CB CYS A 62 -0.079 -1.769 3.163 1.00 0.00 C ATOM 847 SG CYS A 62 -1.738 -2.409 3.517 1.00 0.00 S ATOM 0 H CYS A 62 -0.400 0.262 4.801 1.00 0.00 H new ATOM 0 HA CYS A 62 0.978 -2.343 4.945 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.166 -0.877 2.542 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.473 -2.509 2.583 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.391 -1.547 4.239 1.00 0.00 H new ATOM 853 N GLU A 63 3.067 -1.467 3.952 1.00 0.00 N ATOM 854 CA GLU A 63 4.384 -0.956 3.585 1.00 0.00 C ATOM 855 C GLU A 63 4.398 -0.539 2.129 1.00 0.00 C ATOM 856 O GLU A 63 3.647 -1.088 1.325 1.00 0.00 O ATOM 857 CB GLU A 63 5.395 -2.058 3.758 1.00 0.00 C ATOM 858 CG GLU A 63 5.534 -2.515 5.162 1.00 0.00 C ATOM 859 CD GLU A 63 5.956 -3.942 5.210 1.00 0.00 C ATOM 860 OE1 GLU A 63 7.060 -4.233 5.676 1.00 0.00 O ATOM 861 OE2 GLU A 63 5.189 -4.811 4.719 1.00 0.00 O1- ATOM 0 H GLU A 63 3.052 -2.473 4.121 1.00 0.00 H new ATOM 0 HA GLU A 63 4.619 -0.099 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.108 -2.905 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.364 -1.712 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.266 -1.896 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.586 -2.393 5.685 1.00 0.00 H new ATOM 868 N PRO A 64 5.310 0.374 1.747 1.00 0.00 N ATOM 869 CA PRO A 64 5.426 0.842 0.365 1.00 0.00 C ATOM 870 C PRO A 64 5.909 -0.296 -0.544 1.00 0.00 C ATOM 871 O PRO A 64 5.681 -0.302 -1.758 1.00 0.00 O ATOM 872 CB PRO A 64 6.425 2.000 0.447 1.00 0.00 C ATOM 873 CG PRO A 64 7.197 1.786 1.707 1.00 0.00 C ATOM 874 CD PRO A 64 6.311 0.995 2.636 1.00 0.00 C ATOM 0 HA PRO A 64 4.480 1.167 -0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.086 2.008 -0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.909 2.960 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.123 1.248 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.474 2.740 2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.879 0.242 3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.839 1.638 3.378 1.00 0.00 H new ATOM 882 N ASP A 65 6.520 -1.276 0.100 1.00 0.00 N ATOM 883 CA ASP A 65 6.953 -2.534 -0.504 1.00 0.00 C ATOM 884 C ASP A 65 5.760 -3.338 -1.022 1.00 0.00 C ATOM 885 O ASP A 65 5.857 -4.049 -2.023 1.00 0.00 O ATOM 886 CB ASP A 65 7.707 -3.359 0.560 1.00 0.00 C ATOM 887 CG ASP A 65 7.892 -4.827 0.206 1.00 0.00 C ATOM 888 OD1 ASP A 65 7.110 -5.670 0.690 1.00 0.00 O ATOM 889 OD2 ASP A 65 8.818 -5.172 -0.545 1.00 0.00 O1- ATOM 0 H ASP A 65 6.738 -1.220 1.095 1.00 0.00 H new ATOM 0 HA ASP A 65 7.604 -2.313 -1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.687 -2.911 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.166 -3.291 1.504 1.00 0.00 H new ATOM 894 N LYS A 66 4.630 -3.181 -0.372 1.00 0.00 N ATOM 895 CA LYS A 66 3.453 -3.978 -0.672 1.00 0.00 C ATOM 896 C LYS A 66 2.539 -3.301 -1.673 1.00 0.00 C ATOM 897 O LYS A 66 1.592 -3.905 -2.150 1.00 0.00 O ATOM 898 CB LYS A 66 2.677 -4.273 0.613 1.00 0.00 C ATOM 899 CG LYS A 66 3.449 -5.061 1.658 1.00 0.00 C ATOM 900 CD LYS A 66 3.946 -6.381 1.098 1.00 0.00 C ATOM 901 CE LYS A 66 4.562 -7.250 2.170 1.00 0.00 C ATOM 902 NZ LYS A 66 5.756 -6.618 2.800 1.00 0.00 N1+ ATOM 0 H LYS A 66 4.496 -2.502 0.377 1.00 0.00 H new ATOM 0 HA LYS A 66 3.801 -4.909 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.358 -3.328 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.773 -4.826 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.295 -4.471 2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.810 -5.247 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.117 -6.913 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.682 -6.190 0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.817 -7.457 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.848 -8.208 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.182 -7.280 3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.452 -6.382 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.468 -5.750 3.296 1.00 0.00 H new ATOM 916 N LEU A 67 2.841 -2.079 -2.000 1.00 0.00 N ATOM 917 CA LEU A 67 2.003 -1.294 -2.868 1.00 0.00 C ATOM 918 C LEU A 67 2.539 -1.279 -4.268 1.00 0.00 C ATOM 919 O LEU A 67 3.759 -1.264 -4.480 1.00 0.00 O ATOM 920 CB LEU A 67 1.911 0.125 -2.350 1.00 0.00 C ATOM 921 CG LEU A 67 1.184 0.309 -1.037 1.00 0.00 C ATOM 922 CD1 LEU A 67 1.981 1.159 -0.107 1.00 0.00 C ATOM 923 CD2 LEU A 67 -0.121 0.959 -1.279 1.00 0.00 C ATOM 0 H LEU A 67 3.677 -1.594 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 67 1.012 -1.748 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.922 0.516 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.414 0.734 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 67 1.038 -0.672 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.439 1.278 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.942 0.683 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.145 2.138 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.643 1.091 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.038 1.932 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.721 0.334 -1.940 1.00 0.00 H new ATOM 935 N ARG A 68 1.640 -1.319 -5.210 1.00 0.00 N ATOM 936 CA ARG A 68 1.970 -1.227 -6.606 1.00 0.00 C ATOM 937 C ARG A 68 1.094 -0.202 -7.264 1.00 0.00 C ATOM 938 O ARG A 68 -0.131 -0.215 -7.087 1.00 0.00 O ATOM 939 CB ARG A 68 1.808 -2.573 -7.310 1.00 0.00 C ATOM 940 CG ARG A 68 2.774 -3.633 -6.842 1.00 0.00 C ATOM 941 CD ARG A 68 4.210 -3.227 -7.146 1.00 0.00 C ATOM 942 NE ARG A 68 5.163 -4.271 -6.783 1.00 0.00 N ATOM 943 CZ ARG A 68 5.942 -4.246 -5.694 1.00 0.00 C ATOM 944 NH1 ARG A 68 5.819 -3.259 -4.799 1.00 0.00 N1+ ATOM 945 NH2 ARG A 68 6.837 -5.212 -5.505 1.00 0.00 N ATOM 0 H ARG A 68 0.641 -1.418 -5.028 1.00 0.00 H new ATOM 0 HA ARG A 68 3.015 -0.929 -6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.790 -2.931 -7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.936 -2.428 -8.383 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.655 -3.792 -5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.547 -4.580 -7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.306 -3.002 -8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.450 -2.312 -6.604 1.00 0.00 H new ATOM 0 HE ARG A 68 5.241 -5.077 -7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.130 -2.521 -4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.415 -3.244 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.926 -5.965 -6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.434 -5.200 -4.678 1.00 0.00 H new ATOM 959 N LYS A 69 1.723 0.688 -7.997 1.00 0.00 N ATOM 960 CA LYS A 69 1.038 1.729 -8.727 1.00 0.00 C ATOM 961 C LYS A 69 0.325 1.084 -9.898 1.00 0.00 C ATOM 962 O LYS A 69 0.900 0.206 -10.549 1.00 0.00 O ATOM 963 CB LYS A 69 2.022 2.788 -9.283 1.00 0.00 C ATOM 964 CG LYS A 69 2.864 3.566 -8.261 1.00 0.00 C ATOM 965 CD LYS A 69 3.915 2.691 -7.587 1.00 0.00 C ATOM 966 CE LYS A 69 4.923 3.475 -6.762 1.00 0.00 C ATOM 967 NZ LYS A 69 5.866 2.544 -6.094 1.00 0.00 N1+ ATOM 0 H LYS A 69 2.737 0.709 -8.104 1.00 0.00 H new ATOM 0 HA LYS A 69 0.347 2.230 -8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.703 2.288 -9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.449 3.508 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.356 4.401 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.208 3.991 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.415 1.968 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.447 2.123 -8.351 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.473 4.164 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.405 4.078 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.639 3.086 -5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.362 2.008 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.258 1.884 -6.796 1.00 0.00 H new ATOM 981 N LEU A 70 -0.900 1.481 -10.165 1.00 0.00 N ATOM 982 CA LEU A 70 -1.641 0.893 -11.288 1.00 0.00 C ATOM 983 C LEU A 70 -1.085 1.425 -12.595 1.00 0.00 C ATOM 984 O LEU A 70 -1.051 0.720 -13.622 1.00 0.00 O ATOM 985 CB LEU A 70 -3.145 1.192 -11.211 1.00 0.00 C ATOM 986 CG LEU A 70 -3.853 0.815 -9.906 1.00 0.00 C ATOM 987 CD1 LEU A 70 -5.345 0.983 -10.034 1.00 0.00 C ATOM 988 CD2 LEU A 70 -3.535 -0.586 -9.485 1.00 0.00 C ATOM 0 H LEU A 70 -1.406 2.193 -9.639 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.517 -0.189 -11.235 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.289 2.259 -11.381 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.639 0.669 -12.030 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.483 1.493 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.824 0.709 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.575 2.022 -10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.716 0.340 -10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.057 -0.814 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.856 -1.281 -10.261 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.460 -0.685 -9.332 1.00 0.00 H new