USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=13 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 60 GLN : amide:sc= 0.938 K(o=1.6,f=0.19) USER MOD Set 1.2: A 62 CYS SG : rot 61:sc= 0.662 USER MOD Set 2.1: A 21 THR OG1 : rot 24:sc= 0.00268 USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0.0666 USER MOD Single : A 22 TYR OH : rot 40:sc= 0.353 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= 0.072 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -84:sc= 1.26 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.774 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.754 F(o=-2.7!,f=-0.75) USER MOD Single : A 57 GLN : amide:sc= -0.495 X(o=-0.49,f=0) USER MOD Single : A 58 SER OG : rot -133:sc= 1.32 USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= 1.2 (180deg=1.18) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0.0315 (180deg=-0.028) USER MOD ----------------------------------------------------------------- ATOM 176 N THR A 21 6.435 6.038 -3.941 1.00 0.00 N ATOM 177 CA THR A 21 5.657 6.882 -3.118 1.00 0.00 C ATOM 178 C THR A 21 4.240 6.885 -3.625 1.00 0.00 C ATOM 179 O THR A 21 3.982 6.599 -4.819 1.00 0.00 O ATOM 180 CB THR A 21 6.253 8.301 -3.041 1.00 0.00 C ATOM 181 OG1 THR A 21 5.615 9.062 -2.005 1.00 0.00 O ATOM 182 CG2 THR A 21 6.122 9.027 -4.368 1.00 0.00 C ATOM 0 HA THR A 21 5.662 6.500 -2.097 1.00 0.00 H new ATOM 0 HB THR A 21 7.313 8.200 -2.808 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.234 8.453 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.552 10.025 -4.281 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.652 8.470 -5.141 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.069 9.108 -4.636 1.00 0.00 H new ATOM 190 N TYR A 22 3.331 7.134 -2.735 1.00 0.00 N ATOM 191 CA TYR A 22 1.941 7.028 -3.030 1.00 0.00 C ATOM 192 C TYR A 22 1.200 8.218 -2.487 1.00 0.00 C ATOM 193 O TYR A 22 1.667 8.869 -1.559 1.00 0.00 O ATOM 194 CB TYR A 22 1.404 5.726 -2.436 1.00 0.00 C ATOM 195 CG TYR A 22 2.012 4.493 -3.056 1.00 0.00 C ATOM 196 CD1 TYR A 22 3.206 3.959 -2.588 1.00 0.00 C ATOM 197 CD2 TYR A 22 1.416 3.895 -4.137 1.00 0.00 C ATOM 198 CE1 TYR A 22 3.783 2.874 -3.196 1.00 0.00 C ATOM 199 CE2 TYR A 22 1.973 2.802 -4.739 1.00 0.00 C ATOM 200 CZ TYR A 22 3.157 2.296 -4.273 1.00 0.00 C ATOM 201 OH TYR A 22 3.734 1.245 -4.926 1.00 0.00 O ATOM 0 H TYR A 22 3.537 7.418 -1.777 1.00 0.00 H new ATOM 0 HA TYR A 22 1.793 7.012 -4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.596 5.718 -1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.322 5.694 -2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.688 4.406 -1.731 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.489 4.296 -4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.720 2.478 -2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.480 2.338 -5.581 1.00 0.00 H new ATOM 0 HH TYR A 22 4.146 0.641 -4.274 1.00 0.00 H new ATOM 211 N ALA A 23 0.069 8.496 -3.065 1.00 0.00 N ATOM 212 CA ALA A 23 -0.738 9.622 -2.684 1.00 0.00 C ATOM 213 C ALA A 23 -2.100 9.131 -2.252 1.00 0.00 C ATOM 214 O ALA A 23 -2.503 8.033 -2.627 1.00 0.00 O ATOM 215 CB ALA A 23 -0.868 10.575 -3.858 1.00 0.00 C ATOM 0 H ALA A 23 -0.326 7.941 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.269 10.152 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.480 11.429 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.121 10.923 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.338 10.059 -4.695 1.00 0.00 H new ATOM 221 N LEU A 24 -2.785 9.902 -1.439 1.00 0.00 N ATOM 222 CA LEU A 24 -4.124 9.538 -1.005 1.00 0.00 C ATOM 223 C LEU A 24 -5.067 9.537 -2.180 1.00 0.00 C ATOM 224 O LEU A 24 -4.832 10.231 -3.177 1.00 0.00 O ATOM 225 CB LEU A 24 -4.656 10.467 0.081 1.00 0.00 C ATOM 226 CG LEU A 24 -3.726 10.719 1.252 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.407 11.531 2.319 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.166 9.433 1.807 1.00 0.00 C ATOM 0 H LEU A 24 -2.442 10.786 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.061 8.537 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.901 11.426 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.587 10.050 0.465 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.882 11.301 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.717 11.696 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.714 12.491 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.284 10.994 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.505 9.656 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.983 8.798 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.605 8.915 1.029 1.00 0.00 H new ATOM 240 N GLN A 25 -6.117 8.741 -2.071 1.00 0.00 N ATOM 241 CA GLN A 25 -7.181 8.619 -3.079 1.00 0.00 C ATOM 242 C GLN A 25 -6.679 7.902 -4.342 1.00 0.00 C ATOM 243 O GLN A 25 -7.381 7.816 -5.350 1.00 0.00 O ATOM 244 CB GLN A 25 -7.801 9.986 -3.412 1.00 0.00 C ATOM 245 CG GLN A 25 -8.292 10.748 -2.190 1.00 0.00 C ATOM 246 CD GLN A 25 -8.943 12.058 -2.553 1.00 0.00 C ATOM 247 OE1 GLN A 25 -8.285 13.089 -2.631 1.00 0.00 O ATOM 248 NE2 GLN A 25 -10.221 12.045 -2.755 1.00 0.00 N ATOM 0 H GLN A 25 -6.266 8.141 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.970 8.003 -2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.062 10.593 -3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.636 9.839 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.004 10.131 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.452 10.936 -1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.740 11.170 -2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.710 12.910 -2.987 1.00 0.00 H new ATOM 257 N GLU A 26 -5.480 7.380 -4.260 1.00 0.00 N ATOM 258 CA GLU A 26 -4.878 6.617 -5.320 1.00 0.00 C ATOM 259 C GLU A 26 -5.259 5.159 -5.131 1.00 0.00 C ATOM 260 O GLU A 26 -5.342 4.676 -3.985 1.00 0.00 O ATOM 261 CB GLU A 26 -3.346 6.810 -5.279 1.00 0.00 C ATOM 262 CG GLU A 26 -2.524 5.888 -6.167 1.00 0.00 C ATOM 263 CD GLU A 26 -2.728 6.062 -7.651 1.00 0.00 C ATOM 264 OE1 GLU A 26 -3.883 6.160 -8.117 1.00 0.00 O ATOM 265 OE2 GLU A 26 -1.725 6.021 -8.389 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.885 7.477 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.232 6.951 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.124 7.840 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.013 6.679 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.469 6.043 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.758 4.856 -5.905 1.00 0.00 H new ATOM 272 N ASP A 27 -5.524 4.481 -6.222 1.00 0.00 N ATOM 273 CA ASP A 27 -5.899 3.080 -6.174 1.00 0.00 C ATOM 274 C ASP A 27 -4.685 2.260 -6.479 1.00 0.00 C ATOM 275 O ASP A 27 -3.995 2.505 -7.471 1.00 0.00 O ATOM 276 CB ASP A 27 -7.037 2.740 -7.149 1.00 0.00 C ATOM 277 CG ASP A 27 -8.317 3.493 -6.869 1.00 0.00 C ATOM 278 OD1 ASP A 27 -8.747 4.309 -7.716 1.00 0.00 O ATOM 279 OD2 ASP A 27 -8.925 3.294 -5.805 1.00 0.00 O1- ATOM 0 H ASP A 27 -5.488 4.876 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.276 2.855 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.711 2.959 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.237 1.670 -7.102 1.00 0.00 H new ATOM 284 N VAL A 28 -4.394 1.325 -5.622 1.00 0.00 N ATOM 285 CA VAL A 28 -3.178 0.530 -5.696 1.00 0.00 C ATOM 286 C VAL A 28 -3.432 -0.906 -5.278 1.00 0.00 C ATOM 287 O VAL A 28 -4.459 -1.216 -4.674 1.00 0.00 O ATOM 288 CB VAL A 28 -2.082 1.121 -4.765 1.00 0.00 C ATOM 289 CG1 VAL A 28 -1.509 2.384 -5.344 1.00 0.00 C ATOM 290 CG2 VAL A 28 -2.700 1.437 -3.416 1.00 0.00 C ATOM 0 H VAL A 28 -4.996 1.081 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.843 0.552 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.281 0.389 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.745 2.777 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.064 2.170 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.302 3.122 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.939 1.852 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.504 2.162 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.102 0.524 -2.977 1.00 0.00 H new ATOM 300 N PHE A 29 -2.507 -1.770 -5.609 1.00 0.00 N ATOM 301 CA PHE A 29 -2.565 -3.156 -5.197 1.00 0.00 C ATOM 302 C PHE A 29 -1.741 -3.350 -3.947 1.00 0.00 C ATOM 303 O PHE A 29 -0.674 -2.767 -3.825 1.00 0.00 O ATOM 304 CB PHE A 29 -2.051 -4.088 -6.299 1.00 0.00 C ATOM 305 CG PHE A 29 -3.006 -4.307 -7.411 1.00 0.00 C ATOM 306 CD1 PHE A 29 -2.721 -3.875 -8.682 1.00 0.00 C ATOM 307 CD2 PHE A 29 -4.199 -4.955 -7.176 1.00 0.00 C ATOM 308 CE1 PHE A 29 -3.615 -4.083 -9.716 1.00 0.00 C ATOM 309 CE2 PHE A 29 -5.099 -5.163 -8.196 1.00 0.00 C ATOM 310 CZ PHE A 29 -4.807 -4.726 -9.469 1.00 0.00 C ATOM 0 H PHE A 29 -1.690 -1.536 -6.172 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.607 -3.406 -4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.128 -3.675 -6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.801 -5.052 -5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.788 -3.367 -8.877 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.430 -5.304 -6.180 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.379 -3.742 -10.713 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.033 -5.668 -7.999 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.511 -4.887 -10.272 1.00 0.00 H new ATOM 320 N ILE A 30 -2.250 -4.145 -3.030 1.00 0.00 N ATOM 321 CA ILE A 30 -1.589 -4.453 -1.764 1.00 0.00 C ATOM 322 C ILE A 30 -1.407 -5.928 -1.660 1.00 0.00 C ATOM 323 O ILE A 30 -2.361 -6.702 -1.751 1.00 0.00 O ATOM 324 CB ILE A 30 -2.371 -3.940 -0.491 1.00 0.00 C ATOM 325 CG1 ILE A 30 -2.228 -2.436 -0.286 1.00 0.00 C ATOM 326 CG2 ILE A 30 -1.931 -4.666 0.785 1.00 0.00 C ATOM 327 CD1 ILE A 30 -2.707 -1.600 -1.422 1.00 0.00 C ATOM 0 H ILE A 30 -3.152 -4.608 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.634 -3.927 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.420 -4.165 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.777 -2.152 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.178 -2.207 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.495 -4.281 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.118 -5.734 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.867 -4.499 0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.564 -0.546 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.142 -1.848 -2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.766 -1.793 -1.595 1.00 0.00 H new ATOM 339 N LYS A 31 -0.194 -6.294 -1.530 1.00 0.00 N ATOM 340 CA LYS A 31 0.213 -7.642 -1.429 1.00 0.00 C ATOM 341 C LYS A 31 0.201 -8.109 0.016 1.00 0.00 C ATOM 342 O LYS A 31 0.665 -7.411 0.916 1.00 0.00 O ATOM 343 CB LYS A 31 1.619 -7.743 -1.992 1.00 0.00 C ATOM 344 CG LYS A 31 2.283 -9.083 -1.847 1.00 0.00 C ATOM 345 CD LYS A 31 3.745 -9.007 -2.200 1.00 0.00 C ATOM 346 CE LYS A 31 4.427 -10.333 -1.962 1.00 0.00 C ATOM 347 NZ LYS A 31 5.874 -10.260 -2.211 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.582 -5.633 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.476 -8.277 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.586 -7.487 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.242 -6.994 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.171 -9.438 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.788 -9.809 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.856 -8.719 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.228 -8.233 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.251 -10.652 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.985 -11.090 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.304 -11.191 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.043 -9.981 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.301 -9.557 -1.575 1.00 0.00 H new ATOM 361 N CYS A 32 -0.373 -9.249 0.226 1.00 0.00 N ATOM 362 CA CYS A 32 -0.300 -9.922 1.482 1.00 0.00 C ATOM 363 C CYS A 32 0.924 -10.834 1.410 1.00 0.00 C ATOM 364 O CYS A 32 1.505 -10.994 0.333 1.00 0.00 O ATOM 365 CB CYS A 32 -1.576 -10.726 1.743 1.00 0.00 C ATOM 366 SG CYS A 32 -1.656 -11.499 3.378 1.00 0.00 S ATOM 0 H CYS A 32 -0.914 -9.746 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.209 -9.214 2.306 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.436 -10.067 1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.662 -11.503 0.983 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.774 -12.151 3.495 1.00 0.00 H new ATOM 372 N ASN A 33 1.274 -11.475 2.494 1.00 0.00 N ATOM 373 CA ASN A 33 2.510 -12.273 2.572 1.00 0.00 C ATOM 374 C ASN A 33 2.569 -13.383 1.534 1.00 0.00 C ATOM 375 O ASN A 33 3.629 -13.643 0.961 1.00 0.00 O ATOM 376 CB ASN A 33 2.707 -12.856 3.974 1.00 0.00 C ATOM 377 CG ASN A 33 3.095 -11.816 5.010 1.00 0.00 C ATOM 378 OD1 ASN A 33 2.732 -10.646 4.912 1.00 0.00 O ATOM 379 ND2 ASN A 33 3.823 -12.230 6.005 1.00 0.00 N ATOM 0 H ASN A 33 0.726 -11.471 3.354 1.00 0.00 H new ATOM 0 HA ASN A 33 3.325 -11.583 2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.785 -13.345 4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.479 -13.625 3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.109 -11.577 6.734 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.107 -13.208 6.056 1.00 0.00 H new ATOM 386 N ASP A 34 1.433 -13.982 1.224 1.00 0.00 N ATOM 387 CA ASP A 34 1.394 -15.078 0.237 1.00 0.00 C ATOM 388 C ASP A 34 1.398 -14.590 -1.203 1.00 0.00 C ATOM 389 O ASP A 34 1.252 -15.386 -2.131 1.00 0.00 O ATOM 390 CB ASP A 34 0.202 -16.005 0.446 1.00 0.00 C ATOM 391 CG ASP A 34 0.322 -16.864 1.664 1.00 0.00 C ATOM 392 OD1 ASP A 34 1.150 -17.792 1.675 1.00 0.00 O ATOM 393 OD2 ASP A 34 -0.437 -16.662 2.625 1.00 0.00 O1- ATOM 0 H ASP A 34 0.528 -13.741 1.629 1.00 0.00 H new ATOM 0 HA ASP A 34 2.315 -15.635 0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.705 -15.406 0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.090 -16.644 -0.430 1.00 0.00 H new ATOM 398 N GLY A 35 1.546 -13.298 -1.404 1.00 0.00 N ATOM 399 CA GLY A 35 1.582 -12.783 -2.757 1.00 0.00 C ATOM 400 C GLY A 35 0.217 -12.393 -3.247 1.00 0.00 C ATOM 401 O GLY A 35 0.043 -12.044 -4.406 1.00 0.00 O ATOM 0 H GLY A 35 1.641 -12.599 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.243 -11.917 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.004 -13.538 -3.421 1.00 0.00 H new ATOM 405 N ARG A 36 -0.742 -12.435 -2.351 1.00 0.00 N ATOM 406 CA ARG A 36 -2.117 -12.135 -2.688 1.00 0.00 C ATOM 407 C ARG A 36 -2.257 -10.635 -2.790 1.00 0.00 C ATOM 408 O ARG A 36 -1.881 -9.933 -1.871 1.00 0.00 O ATOM 409 CB ARG A 36 -3.058 -12.624 -1.575 1.00 0.00 C ATOM 410 CG ARG A 36 -2.835 -14.056 -1.104 1.00 0.00 C ATOM 411 CD ARG A 36 -2.999 -15.083 -2.203 1.00 0.00 C ATOM 412 NE ARG A 36 -2.824 -16.448 -1.680 1.00 0.00 N ATOM 413 CZ ARG A 36 -2.258 -17.475 -2.337 1.00 0.00 C ATOM 414 NH1 ARG A 36 -1.698 -17.284 -3.532 1.00 0.00 N1+ ATOM 415 NH2 ARG A 36 -2.223 -18.685 -1.774 1.00 0.00 N ATOM 0 H ARG A 36 -0.593 -12.677 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.376 -12.628 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.954 -11.959 -0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.086 -12.532 -1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.832 -14.141 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.537 -14.280 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.987 -14.986 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.271 -14.896 -2.992 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.162 -16.631 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.698 -16.355 -3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.270 -18.067 -4.026 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.625 -18.828 -0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.794 -19.466 -2.270 1.00 0.00 H new ATOM 429 N PHE A 37 -2.771 -10.154 -3.882 1.00 0.00 N ATOM 430 CA PHE A 37 -2.965 -8.738 -4.052 1.00 0.00 C ATOM 431 C PHE A 37 -4.420 -8.368 -3.901 1.00 0.00 C ATOM 432 O PHE A 37 -5.326 -9.083 -4.362 1.00 0.00 O ATOM 433 CB PHE A 37 -2.426 -8.220 -5.397 1.00 0.00 C ATOM 434 CG PHE A 37 -0.961 -7.854 -5.403 1.00 0.00 C ATOM 435 CD1 PHE A 37 -0.005 -8.661 -5.994 1.00 0.00 C ATOM 436 CD2 PHE A 37 -0.553 -6.673 -4.823 1.00 0.00 C ATOM 437 CE1 PHE A 37 1.331 -8.276 -6.002 1.00 0.00 C ATOM 438 CE2 PHE A 37 0.753 -6.280 -4.821 1.00 0.00 C ATOM 439 CZ PHE A 37 1.708 -7.077 -5.413 1.00 0.00 C ATOM 0 H PHE A 37 -3.067 -10.722 -4.676 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.389 -8.255 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.597 -8.983 -6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.005 -7.344 -5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.298 -9.595 -6.451 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.291 -6.038 -4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.074 -8.908 -6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.037 -5.347 -4.357 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.744 -6.771 -5.419 1.00 0.00 H new ATOM 449 N TYR A 38 -4.625 -7.318 -3.176 1.00 0.00 N ATOM 450 CA TYR A 38 -5.909 -6.717 -2.967 1.00 0.00 C ATOM 451 C TYR A 38 -5.832 -5.326 -3.507 1.00 0.00 C ATOM 452 O TYR A 38 -4.864 -4.635 -3.243 1.00 0.00 O ATOM 453 CB TYR A 38 -6.218 -6.618 -1.476 1.00 0.00 C ATOM 454 CG TYR A 38 -6.426 -7.915 -0.757 1.00 0.00 C ATOM 455 CD1 TYR A 38 -7.702 -8.338 -0.444 1.00 0.00 C ATOM 456 CD2 TYR A 38 -5.354 -8.704 -0.372 1.00 0.00 C ATOM 457 CE1 TYR A 38 -7.914 -9.508 0.237 1.00 0.00 C ATOM 458 CE2 TYR A 38 -5.554 -9.883 0.302 1.00 0.00 C ATOM 459 CZ TYR A 38 -6.841 -10.281 0.607 1.00 0.00 C ATOM 460 OH TYR A 38 -7.049 -11.452 1.303 1.00 0.00 O ATOM 0 H TYR A 38 -3.872 -6.831 -2.690 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.680 -7.314 -3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.400 -6.085 -0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.114 -6.009 -1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.548 -7.736 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.348 -8.387 -0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.919 -9.820 0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.712 -10.494 0.591 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.187 -11.881 1.487 1.00 0.00 H new ATOM 470 N LEU A 39 -6.788 -4.910 -4.263 1.00 0.00 N ATOM 471 CA LEU A 39 -6.760 -3.562 -4.767 1.00 0.00 C ATOM 472 C LEU A 39 -7.493 -2.674 -3.767 1.00 0.00 C ATOM 473 O LEU A 39 -8.566 -3.043 -3.274 1.00 0.00 O ATOM 474 CB LEU A 39 -7.415 -3.510 -6.157 1.00 0.00 C ATOM 475 CG LEU A 39 -6.987 -2.371 -7.102 1.00 0.00 C ATOM 476 CD1 LEU A 39 -7.591 -2.556 -8.464 1.00 0.00 C ATOM 477 CD2 LEU A 39 -7.368 -1.021 -6.588 1.00 0.00 C ATOM 0 H LEU A 39 -7.593 -5.467 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.735 -3.208 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.215 -4.457 -6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.494 -3.445 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.900 -2.419 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.276 -1.741 -9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.258 -3.505 -8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.678 -2.556 -8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.042 -0.257 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.450 -0.968 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.890 -0.851 -5.623 1.00 0.00 H new ATOM 489 N GLY A 40 -6.908 -1.552 -3.435 1.00 0.00 N ATOM 490 CA GLY A 40 -7.527 -0.656 -2.513 1.00 0.00 C ATOM 491 C GLY A 40 -7.159 0.782 -2.778 1.00 0.00 C ATOM 492 O GLY A 40 -6.262 1.063 -3.575 1.00 0.00 O ATOM 0 H GLY A 40 -6.004 -1.244 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.610 -0.768 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.233 -0.923 -1.498 1.00 0.00 H new ATOM 496 N THR A 41 -7.831 1.667 -2.107 1.00 0.00 N ATOM 497 CA THR A 41 -7.649 3.086 -2.250 1.00 0.00 C ATOM 498 C THR A 41 -6.935 3.637 -0.999 1.00 0.00 C ATOM 499 O THR A 41 -7.331 3.340 0.124 1.00 0.00 O ATOM 500 CB THR A 41 -9.040 3.733 -2.363 1.00 0.00 C ATOM 501 OG1 THR A 41 -9.812 3.018 -3.356 1.00 0.00 O ATOM 502 CG2 THR A 41 -8.926 5.199 -2.759 1.00 0.00 C ATOM 0 H THR A 41 -8.545 1.417 -1.422 1.00 0.00 H new ATOM 0 HA THR A 41 -7.050 3.307 -3.133 1.00 0.00 H new ATOM 0 HB THR A 41 -9.535 3.680 -1.393 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.595 3.360 -4.248 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.922 5.635 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.350 5.736 -2.005 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.424 5.277 -3.723 1.00 0.00 H new ATOM 510 N ILE A 42 -5.887 4.403 -1.187 1.00 0.00 N ATOM 511 CA ILE A 42 -5.133 4.964 -0.058 1.00 0.00 C ATOM 512 C ILE A 42 -5.920 6.086 0.602 1.00 0.00 C ATOM 513 O ILE A 42 -6.440 6.965 -0.076 1.00 0.00 O ATOM 514 CB ILE A 42 -3.770 5.523 -0.506 1.00 0.00 C ATOM 515 CG1 ILE A 42 -3.054 4.479 -1.341 1.00 0.00 C ATOM 516 CG2 ILE A 42 -2.924 5.908 0.723 1.00 0.00 C ATOM 517 CD1 ILE A 42 -1.723 4.885 -1.847 1.00 0.00 C ATOM 0 H ILE A 42 -5.526 4.660 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.968 4.151 0.649 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.922 6.419 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.938 3.575 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.685 4.220 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.962 6.302 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.449 6.668 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.762 5.027 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.292 4.072 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.827 5.769 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.068 5.113 -1.006 1.00 0.00 H new ATOM 529 N ILE A 43 -6.003 6.058 1.906 1.00 0.00 N ATOM 530 CA ILE A 43 -6.709 7.093 2.632 1.00 0.00 C ATOM 531 C ILE A 43 -5.801 7.918 3.509 1.00 0.00 C ATOM 532 O ILE A 43 -6.094 9.073 3.774 1.00 0.00 O ATOM 533 CB ILE A 43 -7.873 6.586 3.506 1.00 0.00 C ATOM 534 CG1 ILE A 43 -7.427 5.482 4.467 1.00 0.00 C ATOM 535 CG2 ILE A 43 -9.050 6.134 2.657 1.00 0.00 C ATOM 536 CD1 ILE A 43 -7.448 4.116 3.912 1.00 0.00 C ATOM 0 H ILE A 43 -5.592 5.331 2.492 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.123 7.707 1.832 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.205 7.428 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.414 5.704 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.069 5.508 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.853 5.783 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.408 6.970 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.734 5.324 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.115 3.409 4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.462 3.865 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.782 4.063 3.051 1.00 0.00 H new ATOM 548 N ASP A 44 -4.711 7.345 3.978 1.00 0.00 N ATOM 549 CA ASP A 44 -3.835 8.071 4.879 1.00 0.00 C ATOM 550 C ASP A 44 -2.433 7.524 4.689 1.00 0.00 C ATOM 551 O ASP A 44 -2.288 6.411 4.194 1.00 0.00 O ATOM 552 CB ASP A 44 -4.294 7.889 6.331 1.00 0.00 C ATOM 553 CG ASP A 44 -3.864 9.009 7.248 1.00 0.00 C ATOM 554 OD1 ASP A 44 -4.742 9.725 7.791 1.00 0.00 O ATOM 555 OD2 ASP A 44 -2.673 9.221 7.439 1.00 0.00 O1- ATOM 0 H ASP A 44 -4.413 6.395 3.756 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.858 9.139 4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.381 7.811 6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.899 6.947 6.712 1.00 0.00 H new ATOM 560 N GLN A 45 -1.422 8.275 5.039 1.00 0.00 N ATOM 561 CA GLN A 45 -0.060 7.846 4.818 1.00 0.00 C ATOM 562 C GLN A 45 0.855 8.237 5.962 1.00 0.00 C ATOM 563 O GLN A 45 0.667 9.281 6.603 1.00 0.00 O ATOM 564 CB GLN A 45 0.482 8.420 3.514 1.00 0.00 C ATOM 565 CG GLN A 45 0.506 9.932 3.420 1.00 0.00 C ATOM 566 CD GLN A 45 1.101 10.397 2.116 1.00 0.00 C ATOM 567 OE1 GLN A 45 0.395 10.581 1.127 1.00 0.00 O ATOM 568 NE2 GLN A 45 2.398 10.572 2.090 1.00 0.00 N ATOM 0 H GLN A 45 -1.513 9.190 5.480 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.079 6.758 4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.497 8.049 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.119 8.033 2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.508 10.319 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.083 10.340 4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.952 10.409 2.931 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.855 10.871 1.229 1.00 0.00 H new ATOM 577 N THR A 46 1.815 7.398 6.236 1.00 0.00 N ATOM 578 CA THR A 46 2.835 7.684 7.191 1.00 0.00 C ATOM 579 C THR A 46 4.177 7.609 6.470 1.00 0.00 C ATOM 580 O THR A 46 4.212 7.439 5.233 1.00 0.00 O ATOM 581 CB THR A 46 2.802 6.719 8.424 1.00 0.00 C ATOM 582 OG1 THR A 46 2.916 5.344 8.021 1.00 0.00 O ATOM 583 CG2 THR A 46 1.527 6.892 9.222 1.00 0.00 C ATOM 0 H THR A 46 1.907 6.484 5.792 1.00 0.00 H new ATOM 0 HA THR A 46 2.670 8.681 7.600 1.00 0.00 H new ATOM 0 HB THR A 46 3.657 6.980 9.047 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.894 4.768 8.813 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.534 6.209 10.071 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.460 7.918 9.583 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.668 6.674 8.587 1.00 0.00 H new ATOM 591 N SER A 47 5.260 7.761 7.180 1.00 0.00 N ATOM 592 CA SER A 47 6.559 7.660 6.564 1.00 0.00 C ATOM 593 C SER A 47 6.913 6.173 6.330 1.00 0.00 C ATOM 594 O SER A 47 7.700 5.826 5.421 1.00 0.00 O ATOM 595 CB SER A 47 7.621 8.370 7.430 1.00 0.00 C ATOM 596 OG SER A 47 8.867 8.490 6.747 1.00 0.00 O ATOM 0 H SER A 47 5.273 7.954 8.181 1.00 0.00 H new ATOM 0 HA SER A 47 6.541 8.159 5.595 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.261 9.361 7.707 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.766 7.814 8.356 1.00 0.00 H new ATOM 0 HG SER A 47 9.514 8.946 7.325 1.00 0.00 H new ATOM 602 N ASP A 48 6.318 5.292 7.125 1.00 0.00 N ATOM 603 CA ASP A 48 6.606 3.866 7.013 1.00 0.00 C ATOM 604 C ASP A 48 5.555 3.121 6.247 1.00 0.00 C ATOM 605 O ASP A 48 5.872 2.160 5.554 1.00 0.00 O ATOM 606 CB ASP A 48 6.742 3.169 8.369 1.00 0.00 C ATOM 607 CG ASP A 48 7.907 3.628 9.210 1.00 0.00 C ATOM 608 OD1 ASP A 48 7.694 4.373 10.189 1.00 0.00 O ATOM 609 OD2 ASP A 48 9.059 3.238 8.917 1.00 0.00 O1- ATOM 0 H ASP A 48 5.640 5.535 7.847 1.00 0.00 H new ATOM 0 HA ASP A 48 7.558 3.837 6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.823 3.324 8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.836 2.096 8.201 1.00 0.00 H new ATOM 614 N GLN A 49 4.312 3.538 6.373 1.00 0.00 N ATOM 615 CA GLN A 49 3.197 2.789 5.822 1.00 0.00 C ATOM 616 C GLN A 49 2.156 3.682 5.170 1.00 0.00 C ATOM 617 O GLN A 49 2.234 4.902 5.219 1.00 0.00 O ATOM 618 CB GLN A 49 2.532 1.965 6.929 1.00 0.00 C ATOM 619 CG GLN A 49 3.361 0.772 7.411 1.00 0.00 C ATOM 620 CD GLN A 49 2.733 0.042 8.577 1.00 0.00 C ATOM 621 OE1 GLN A 49 2.082 0.764 9.447 1.00 0.00 O flip ATOM 622 NE2 GLN A 49 2.871 -1.173 8.718 1.00 0.00 N flip ATOM 0 H GLN A 49 4.046 4.397 6.855 1.00 0.00 H new ATOM 0 HA GLN A 49 3.602 2.137 5.048 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.328 2.617 7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.570 1.602 6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.497 0.074 6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.353 1.120 7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.385 -1.712 8.021 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.471 -1.641 9.532 1.00 0.00 H new ATOM 631 N TYR A 50 1.203 3.050 4.544 1.00 0.00 N ATOM 632 CA TYR A 50 0.083 3.708 3.915 1.00 0.00 C ATOM 633 C TYR A 50 -1.198 3.009 4.340 1.00 0.00 C ATOM 634 O TYR A 50 -1.251 1.780 4.372 1.00 0.00 O ATOM 635 CB TYR A 50 0.224 3.667 2.390 1.00 0.00 C ATOM 636 CG TYR A 50 1.336 4.535 1.833 1.00 0.00 C ATOM 637 CD1 TYR A 50 2.654 4.069 1.674 1.00 0.00 C ATOM 638 CD2 TYR A 50 1.064 5.829 1.476 1.00 0.00 C ATOM 639 CE1 TYR A 50 3.638 4.893 1.178 1.00 0.00 C ATOM 640 CE2 TYR A 50 2.034 6.657 0.982 1.00 0.00 C ATOM 641 CZ TYR A 50 3.319 6.199 0.834 1.00 0.00 C ATOM 642 OH TYR A 50 4.286 7.042 0.324 1.00 0.00 O ATOM 0 H TYR A 50 1.180 2.034 4.453 1.00 0.00 H new ATOM 0 HA TYR A 50 0.055 4.753 4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.398 2.636 2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.720 3.978 1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.896 3.052 1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.058 6.205 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.647 4.528 1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.788 7.672 0.708 1.00 0.00 H new ATOM 0 HH TYR A 50 3.890 7.919 0.136 1.00 0.00 H new ATOM 652 N LEU A 51 -2.201 3.778 4.694 1.00 0.00 N ATOM 653 CA LEU A 51 -3.473 3.234 5.118 1.00 0.00 C ATOM 654 C LEU A 51 -4.282 3.034 3.888 1.00 0.00 C ATOM 655 O LEU A 51 -4.538 3.997 3.146 1.00 0.00 O ATOM 656 CB LEU A 51 -4.224 4.190 6.062 1.00 0.00 C ATOM 657 CG LEU A 51 -5.488 3.627 6.727 1.00 0.00 C ATOM 658 CD1 LEU A 51 -5.168 2.414 7.567 1.00 0.00 C ATOM 659 CD2 LEU A 51 -6.187 4.691 7.556 1.00 0.00 C ATOM 0 H LEU A 51 -2.160 4.797 4.697 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.308 2.305 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.537 4.508 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.500 5.081 5.499 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.169 3.315 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.082 2.037 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.732 1.639 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.458 2.689 8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.079 4.266 8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.512 5.048 8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.472 5.524 6.913 1.00 0.00 H new ATOM 671 N ILE A 52 -4.620 1.816 3.622 1.00 0.00 N ATOM 672 CA ILE A 52 -5.357 1.483 2.432 1.00 0.00 C ATOM 673 C ILE A 52 -6.750 1.047 2.790 1.00 0.00 C ATOM 674 O ILE A 52 -6.925 0.261 3.709 1.00 0.00 O ATOM 675 CB ILE A 52 -4.665 0.351 1.648 1.00 0.00 C ATOM 676 CG1 ILE A 52 -3.156 0.602 1.572 1.00 0.00 C ATOM 677 CG2 ILE A 52 -5.264 0.222 0.251 1.00 0.00 C ATOM 678 CD1 ILE A 52 -2.794 1.922 0.945 1.00 0.00 C ATOM 0 H ILE A 52 -4.397 1.019 4.218 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.396 2.375 1.806 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.831 -0.589 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.738 0.561 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.691 -0.201 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.762 -0.582 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.328 -0.003 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.131 1.159 -0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.710 2.030 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.181 1.959 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.229 2.733 1.528 1.00 0.00 H new ATOM 690 N ARG A 53 -7.721 1.570 2.088 1.00 0.00 N ATOM 691 CA ARG A 53 -9.072 1.181 2.259 1.00 0.00 C ATOM 692 C ARG A 53 -9.458 0.369 1.062 1.00 0.00 C ATOM 693 O ARG A 53 -9.450 0.856 -0.065 1.00 0.00 O ATOM 694 CB ARG A 53 -9.996 2.383 2.425 1.00 0.00 C ATOM 695 CG ARG A 53 -11.424 1.998 2.714 1.00 0.00 C ATOM 696 CD ARG A 53 -12.245 3.206 3.058 1.00 0.00 C ATOM 697 NE ARG A 53 -11.736 3.907 4.257 1.00 0.00 N ATOM 698 CZ ARG A 53 -12.015 5.180 4.585 1.00 0.00 C ATOM 699 NH1 ARG A 53 -12.800 5.921 3.801 1.00 0.00 N1+ ATOM 700 NH2 ARG A 53 -11.506 5.700 5.692 1.00 0.00 N ATOM 0 H ARG A 53 -7.581 2.286 1.376 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.174 0.595 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.624 3.010 3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.965 2.985 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.853 1.497 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.453 1.286 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.248 3.893 2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.279 2.904 3.228 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.125 3.383 4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.192 5.522 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.009 6.887 4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.905 5.135 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.715 6.666 5.945 1.00 0.00 H new ATOM 714 N PHE A 54 -9.758 -0.853 1.297 1.00 0.00 N ATOM 715 CA PHE A 54 -10.062 -1.779 0.243 1.00 0.00 C ATOM 716 C PHE A 54 -11.506 -1.661 -0.179 1.00 0.00 C ATOM 717 O PHE A 54 -12.266 -0.863 0.394 1.00 0.00 O ATOM 718 CB PHE A 54 -9.715 -3.191 0.684 1.00 0.00 C ATOM 719 CG PHE A 54 -8.257 -3.338 1.020 1.00 0.00 C ATOM 720 CD1 PHE A 54 -7.797 -3.161 2.318 1.00 0.00 C ATOM 721 CD2 PHE A 54 -7.347 -3.624 0.030 1.00 0.00 C ATOM 722 CE1 PHE A 54 -6.452 -3.267 2.607 1.00 0.00 C ATOM 723 CE2 PHE A 54 -6.009 -3.736 0.315 1.00 0.00 C ATOM 724 CZ PHE A 54 -5.559 -3.559 1.604 1.00 0.00 C ATOM 0 H PHE A 54 -9.803 -1.255 2.233 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.456 -1.537 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.315 -3.456 1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.976 -3.892 -0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.498 -2.938 3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.689 -3.762 -0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.102 -3.121 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.307 -3.964 -0.474 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.506 -3.649 1.827 1.00 0.00 H new ATOM 734 N ASP A 55 -11.893 -2.439 -1.175 1.00 0.00 N ATOM 735 CA ASP A 55 -13.258 -2.407 -1.696 1.00 0.00 C ATOM 736 C ASP A 55 -14.254 -2.835 -0.634 1.00 0.00 C ATOM 737 O ASP A 55 -15.392 -2.354 -0.590 1.00 0.00 O ATOM 738 CB ASP A 55 -13.394 -3.284 -2.938 1.00 0.00 C ATOM 739 CG ASP A 55 -14.781 -3.229 -3.532 1.00 0.00 C ATOM 740 OD1 ASP A 55 -15.111 -2.218 -4.186 1.00 0.00 O ATOM 741 OD2 ASP A 55 -15.564 -4.193 -3.353 1.00 0.00 O1- ATOM 0 H ASP A 55 -11.281 -3.106 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.479 -1.378 -1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.668 -2.965 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.153 -4.315 -2.680 1.00 0.00 H new ATOM 746 N ASP A 56 -13.794 -3.681 0.268 1.00 0.00 N ATOM 747 CA ASP A 56 -14.608 -4.174 1.375 1.00 0.00 C ATOM 748 C ASP A 56 -14.578 -3.202 2.557 1.00 0.00 C ATOM 749 O ASP A 56 -15.031 -3.520 3.657 1.00 0.00 O ATOM 750 CB ASP A 56 -14.168 -5.589 1.796 1.00 0.00 C ATOM 751 CG ASP A 56 -12.720 -5.667 2.216 1.00 0.00 C ATOM 752 OD1 ASP A 56 -12.439 -5.812 3.421 1.00 0.00 O ATOM 753 OD2 ASP A 56 -11.830 -5.561 1.343 1.00 0.00 O1- ATOM 0 H ASP A 56 -12.843 -4.050 0.258 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.640 -4.239 1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.796 -5.927 2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.335 -6.275 0.966 1.00 0.00 H new ATOM 758 N GLN A 57 -14.047 -2.008 2.293 1.00 0.00 N ATOM 759 CA GLN A 57 -14.021 -0.861 3.209 1.00 0.00 C ATOM 760 C GLN A 57 -13.080 -1.029 4.383 1.00 0.00 C ATOM 761 O GLN A 57 -13.032 -0.178 5.260 1.00 0.00 O ATOM 762 CB GLN A 57 -15.432 -0.455 3.665 1.00 0.00 C ATOM 763 CG GLN A 57 -16.317 0.001 2.518 1.00 0.00 C ATOM 764 CD GLN A 57 -17.699 0.469 2.948 1.00 0.00 C ATOM 765 OE1 GLN A 57 -18.283 1.345 2.317 1.00 0.00 O ATOM 766 NE2 GLN A 57 -18.250 -0.120 3.977 1.00 0.00 N ATOM 0 H GLN A 57 -13.604 -1.802 1.398 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.610 -0.039 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.903 -1.300 4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.354 0.348 4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.818 0.813 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.427 -0.820 1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.741 -0.845 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.189 0.145 4.274 1.00 0.00 H new ATOM 775 N SER A 58 -12.289 -2.065 4.366 1.00 0.00 N ATOM 776 CA SER A 58 -11.342 -2.287 5.416 1.00 0.00 C ATOM 777 C SER A 58 -10.143 -1.364 5.237 1.00 0.00 C ATOM 778 O SER A 58 -9.769 -1.043 4.104 1.00 0.00 O ATOM 779 CB SER A 58 -10.921 -3.749 5.423 1.00 0.00 C ATOM 780 OG SER A 58 -10.538 -4.172 4.119 1.00 0.00 O ATOM 0 H SER A 58 -12.284 -2.772 3.630 1.00 0.00 H new ATOM 0 HA SER A 58 -11.799 -2.059 6.379 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.090 -3.889 6.114 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.743 -4.367 5.784 1.00 0.00 H new ATOM 0 HG SER A 58 -10.958 -5.034 3.918 1.00 0.00 H new ATOM 786 N GLU A 59 -9.572 -0.925 6.324 1.00 0.00 N ATOM 787 CA GLU A 59 -8.429 -0.061 6.283 1.00 0.00 C ATOM 788 C GLU A 59 -7.255 -0.825 6.876 1.00 0.00 C ATOM 789 O GLU A 59 -7.389 -1.432 7.952 1.00 0.00 O ATOM 790 CB GLU A 59 -8.665 1.174 7.134 1.00 0.00 C ATOM 791 CG GLU A 59 -9.914 1.958 6.813 1.00 0.00 C ATOM 792 CD GLU A 59 -10.052 3.142 7.725 1.00 0.00 C ATOM 793 OE1 GLU A 59 -9.949 4.280 7.250 1.00 0.00 O ATOM 794 OE2 GLU A 59 -10.225 2.950 8.944 1.00 0.00 O1- ATOM 0 H GLU A 59 -9.888 -1.158 7.265 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.239 0.245 5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.707 0.870 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.805 1.836 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.881 2.294 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.788 1.314 6.912 1.00 0.00 H new ATOM 801 N GLN A 60 -6.145 -0.839 6.201 1.00 0.00 N ATOM 802 CA GLN A 60 -4.967 -1.534 6.694 1.00 0.00 C ATOM 803 C GLN A 60 -3.727 -0.700 6.405 1.00 0.00 C ATOM 804 O GLN A 60 -3.635 -0.089 5.340 1.00 0.00 O ATOM 805 CB GLN A 60 -4.845 -2.914 6.013 1.00 0.00 C ATOM 806 CG GLN A 60 -3.717 -3.792 6.551 1.00 0.00 C ATOM 807 CD GLN A 60 -3.638 -5.148 5.863 1.00 0.00 C ATOM 808 OE1 GLN A 60 -4.274 -6.117 6.299 1.00 0.00 O ATOM 809 NE2 GLN A 60 -2.861 -5.235 4.811 1.00 0.00 N ATOM 0 H GLN A 60 -6.018 -0.377 5.300 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.060 -1.680 7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.789 -3.446 6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.693 -2.765 4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.768 -3.271 6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.860 -3.942 7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.353 -4.414 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.764 -6.124 4.321 1.00 0.00 H new ATOM 818 N TRP A 61 -2.785 -0.685 7.326 1.00 0.00 N ATOM 819 CA TRP A 61 -1.538 0.030 7.133 1.00 0.00 C ATOM 820 C TRP A 61 -0.560 -0.908 6.477 1.00 0.00 C ATOM 821 O TRP A 61 -0.119 -1.886 7.074 1.00 0.00 O ATOM 822 CB TRP A 61 -0.965 0.555 8.464 1.00 0.00 C ATOM 823 CG TRP A 61 -1.678 1.747 9.018 1.00 0.00 C ATOM 824 CD1 TRP A 61 -2.583 1.775 10.035 1.00 0.00 C ATOM 825 CD2 TRP A 61 -1.532 3.096 8.571 1.00 0.00 C ATOM 826 NE1 TRP A 61 -3.018 3.063 10.238 1.00 0.00 N ATOM 827 CE2 TRP A 61 -2.388 3.893 9.349 1.00 0.00 C ATOM 828 CE3 TRP A 61 -0.767 3.703 7.586 1.00 0.00 C ATOM 829 CZ2 TRP A 61 -2.495 5.273 9.160 1.00 0.00 C ATOM 830 CZ3 TRP A 61 -0.877 5.060 7.397 1.00 0.00 C ATOM 831 CH2 TRP A 61 -1.731 5.831 8.174 1.00 0.00 C ATOM 0 H TRP A 61 -2.860 -1.164 8.223 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.719 0.901 6.503 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.998 -0.247 9.201 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.084 0.811 8.318 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.910 0.914 10.598 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.700 3.354 10.938 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.095 3.118 6.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.155 5.874 9.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.287 5.536 6.628 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.793 6.894 7.995 1.00 0.00 H new ATOM 842 N CYS A 62 -0.263 -0.627 5.248 1.00 0.00 N ATOM 843 CA CYS A 62 0.550 -1.479 4.436 1.00 0.00 C ATOM 844 C CYS A 62 1.854 -0.780 4.072 1.00 0.00 C ATOM 845 O CYS A 62 1.889 0.444 3.947 1.00 0.00 O ATOM 846 CB CYS A 62 -0.240 -1.805 3.180 1.00 0.00 C ATOM 847 SG CYS A 62 -1.930 -2.365 3.529 1.00 0.00 S ATOM 0 H CYS A 62 -0.584 0.216 4.771 1.00 0.00 H new ATOM 0 HA CYS A 62 0.803 -2.391 4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.280 -0.921 2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.284 -2.578 2.619 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.577 -1.427 4.155 1.00 0.00 H new ATOM 853 N GLU A 63 2.916 -1.550 3.947 1.00 0.00 N ATOM 854 CA GLU A 63 4.227 -1.033 3.561 1.00 0.00 C ATOM 855 C GLU A 63 4.211 -0.609 2.106 1.00 0.00 C ATOM 856 O GLU A 63 3.505 -1.218 1.302 1.00 0.00 O ATOM 857 CB GLU A 63 5.263 -2.117 3.701 1.00 0.00 C ATOM 858 CG GLU A 63 5.396 -2.648 5.085 1.00 0.00 C ATOM 859 CD GLU A 63 5.970 -4.030 5.073 1.00 0.00 C ATOM 860 OE1 GLU A 63 5.237 -4.978 4.743 1.00 0.00 O ATOM 861 OE2 GLU A 63 7.170 -4.199 5.343 1.00 0.00 O1- ATOM 0 H GLU A 63 2.901 -2.557 4.109 1.00 0.00 H new ATOM 0 HA GLU A 63 4.462 -0.185 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.009 -2.938 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.228 -1.728 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.036 -1.989 5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.420 -2.659 5.570 1.00 0.00 H new ATOM 868 N PRO A 64 5.007 0.405 1.748 1.00 0.00 N ATOM 869 CA PRO A 64 5.114 0.895 0.370 1.00 0.00 C ATOM 870 C PRO A 64 5.505 -0.205 -0.642 1.00 0.00 C ATOM 871 O PRO A 64 5.127 -0.141 -1.802 1.00 0.00 O ATOM 872 CB PRO A 64 6.169 2.002 0.430 1.00 0.00 C ATOM 873 CG PRO A 64 6.368 2.326 1.877 1.00 0.00 C ATOM 874 CD PRO A 64 5.826 1.186 2.688 1.00 0.00 C ATOM 0 HA PRO A 64 4.149 1.253 0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.103 1.672 -0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.839 2.882 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.426 2.477 2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.856 3.253 2.134 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.631 0.582 3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.229 1.546 3.526 1.00 0.00 H new ATOM 882 N ASP A 65 6.236 -1.224 -0.181 1.00 0.00 N ATOM 883 CA ASP A 65 6.616 -2.368 -1.045 1.00 0.00 C ATOM 884 C ASP A 65 5.428 -3.280 -1.331 1.00 0.00 C ATOM 885 O ASP A 65 5.352 -3.936 -2.384 1.00 0.00 O ATOM 886 CB ASP A 65 7.734 -3.184 -0.410 1.00 0.00 C ATOM 887 CG ASP A 65 8.077 -4.422 -1.219 1.00 0.00 C ATOM 888 OD1 ASP A 65 8.390 -4.299 -2.404 1.00 0.00 O ATOM 889 OD2 ASP A 65 8.072 -5.532 -0.666 1.00 0.00 O1- ATOM 0 H ASP A 65 6.579 -1.289 0.777 1.00 0.00 H new ATOM 0 HA ASP A 65 6.966 -1.947 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.623 -2.561 -0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.437 -3.481 0.596 1.00 0.00 H new ATOM 894 N LYS A 66 4.480 -3.288 -0.416 1.00 0.00 N ATOM 895 CA LYS A 66 3.294 -4.125 -0.553 1.00 0.00 C ATOM 896 C LYS A 66 2.332 -3.463 -1.515 1.00 0.00 C ATOM 897 O LYS A 66 1.439 -4.100 -2.046 1.00 0.00 O ATOM 898 CB LYS A 66 2.589 -4.325 0.803 1.00 0.00 C ATOM 899 CG LYS A 66 3.343 -5.151 1.856 1.00 0.00 C ATOM 900 CD LYS A 66 3.609 -6.571 1.378 1.00 0.00 C ATOM 901 CE LYS A 66 3.891 -7.529 2.540 1.00 0.00 C ATOM 902 NZ LYS A 66 5.108 -7.197 3.316 1.00 0.00 N1+ ATOM 0 H LYS A 66 4.503 -2.725 0.434 1.00 0.00 H new ATOM 0 HA LYS A 66 3.604 -5.101 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.380 -3.343 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.627 -4.804 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.289 -4.664 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.763 -5.181 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.748 -6.930 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.459 -6.570 0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.033 -7.530 3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.989 -8.541 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.404 -8.026 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.872 -6.925 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.904 -6.406 3.960 1.00 0.00 H new ATOM 916 N LEU A 67 2.547 -2.195 -1.729 1.00 0.00 N ATOM 917 CA LEU A 67 1.754 -1.395 -2.615 1.00 0.00 C ATOM 918 C LEU A 67 2.368 -1.390 -3.979 1.00 0.00 C ATOM 919 O LEU A 67 3.589 -1.340 -4.111 1.00 0.00 O ATOM 920 CB LEU A 67 1.702 0.021 -2.107 1.00 0.00 C ATOM 921 CG LEU A 67 0.953 0.232 -0.827 1.00 0.00 C ATOM 922 CD1 LEU A 67 1.713 1.117 0.094 1.00 0.00 C ATOM 923 CD2 LEU A 67 -0.333 0.869 -1.134 1.00 0.00 C ATOM 0 H LEU A 67 3.301 -1.676 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 67 0.748 -1.813 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.724 0.374 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.249 0.646 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 67 0.806 -0.734 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.148 1.254 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.676 0.662 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.873 2.085 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.890 1.029 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.157 1.828 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.909 0.224 -1.798 1.00 0.00 H new ATOM 935 N ARG A 68 1.541 -1.457 -4.983 1.00 0.00 N ATOM 936 CA ARG A 68 1.976 -1.398 -6.368 1.00 0.00 C ATOM 937 C ARG A 68 1.007 -0.536 -7.134 1.00 0.00 C ATOM 938 O ARG A 68 -0.212 -0.658 -6.929 1.00 0.00 O ATOM 939 CB ARG A 68 2.025 -2.811 -6.980 1.00 0.00 C ATOM 940 CG ARG A 68 2.995 -3.737 -6.268 1.00 0.00 C ATOM 941 CD ARG A 68 4.445 -3.261 -6.471 1.00 0.00 C ATOM 942 NE ARG A 68 5.420 -3.850 -5.527 1.00 0.00 N ATOM 943 CZ ARG A 68 6.634 -4.329 -5.867 1.00 0.00 C ATOM 944 NH1 ARG A 68 6.950 -4.505 -7.150 1.00 0.00 N1+ ATOM 945 NH2 ARG A 68 7.531 -4.637 -4.933 1.00 0.00 N ATOM 0 H ARG A 68 0.532 -1.555 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 68 2.979 -0.974 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.027 -3.248 -6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.308 -2.736 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.762 -3.768 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.883 -4.752 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.754 -3.500 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.475 -2.176 -6.375 1.00 0.00 H new ATOM 0 HE ARG A 68 5.154 -3.897 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.273 -4.277 -7.878 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.869 -4.867 -7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.304 -4.512 -3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.446 -4.998 -5.204 1.00 0.00 H new ATOM 959 N LYS A 69 1.519 0.338 -7.998 1.00 0.00 N ATOM 960 CA LYS A 69 0.643 1.187 -8.787 1.00 0.00 C ATOM 961 C LYS A 69 -0.069 0.357 -9.834 1.00 0.00 C ATOM 962 O LYS A 69 0.445 -0.693 -10.252 1.00 0.00 O ATOM 963 CB LYS A 69 1.353 2.368 -9.469 1.00 0.00 C ATOM 964 CG LYS A 69 1.880 3.453 -8.541 1.00 0.00 C ATOM 965 CD LYS A 69 3.237 3.119 -7.981 1.00 0.00 C ATOM 966 CE LYS A 69 3.773 4.217 -7.065 1.00 0.00 C ATOM 967 NZ LYS A 69 3.732 5.580 -7.661 1.00 0.00 N1+ ATOM 0 H LYS A 69 2.516 0.473 -8.165 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.065 1.621 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.188 1.978 -10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.659 2.826 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.936 4.396 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.177 3.599 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.178 2.183 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.937 2.960 -8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.195 4.219 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.803 3.981 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.189 6.255 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.236 5.576 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.743 5.862 -7.814 1.00 0.00 H new ATOM 981 N LEU A 70 -1.224 0.798 -10.261 1.00 0.00 N ATOM 982 CA LEU A 70 -1.995 0.029 -11.226 1.00 0.00 C ATOM 983 C LEU A 70 -1.513 0.302 -12.639 1.00 0.00 C ATOM 984 O LEU A 70 -1.501 -0.588 -13.480 1.00 0.00 O ATOM 985 CB LEU A 70 -3.486 0.381 -11.154 1.00 0.00 C ATOM 986 CG LEU A 70 -4.132 0.424 -9.770 1.00 0.00 C ATOM 987 CD1 LEU A 70 -5.614 0.544 -9.897 1.00 0.00 C ATOM 988 CD2 LEU A 70 -3.786 -0.777 -8.942 1.00 0.00 C ATOM 0 H LEU A 70 -1.655 1.674 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.855 -1.023 -10.978 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.625 1.356 -11.621 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.033 -0.343 -11.759 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.735 1.300 -9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.063 0.574 -8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.860 1.460 -10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.003 -0.314 -10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.269 -0.699 -7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.131 -1.679 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.705 -0.827 -8.808 1.00 0.00 H new