USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 382 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 15 THR OG1 : rot 180:sc= -0.794 USER MOD Set 1.2: A 18 GLN : amide:sc= -2.21! C(o=-3!,f=-8.2!) USER MOD Single : A 24 ASN : amide:sc= -0.726 K(o=-0.73,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.34) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= 1.15 (180deg=0.711) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 56:sc= 0.609 USER MOD Single : A 39 GLN : amide:sc= -0.0082 K(o=-0.0082,f=-1.2) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.078) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.0449 (180deg=-0.334) USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= -0.0459 (180deg=-0.307) USER MOD Single : A 57 ASN : amide:sc= -2.25 K(o=-2.3,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 189 N PHE A 14 -10.740 1.911 -2.113 1.00 0.00 N ATOM 190 CA PHE A 14 -10.734 1.203 -0.839 1.00 0.00 C ATOM 191 C PHE A 14 -11.691 1.859 0.153 1.00 0.00 C ATOM 192 O PHE A 14 -12.138 2.988 -0.052 1.00 0.00 O ATOM 193 CB PHE A 14 -9.320 1.171 -0.255 1.00 0.00 C ATOM 194 CG PHE A 14 -8.358 0.344 -1.060 1.00 0.00 C ATOM 195 CD1 PHE A 14 -7.969 0.748 -2.327 1.00 0.00 C ATOM 196 CD2 PHE A 14 -7.842 -0.836 -0.549 1.00 0.00 C ATOM 197 CE1 PHE A 14 -7.085 -0.011 -3.070 1.00 0.00 C ATOM 198 CE2 PHE A 14 -6.957 -1.598 -1.288 1.00 0.00 C ATOM 199 CZ PHE A 14 -6.577 -1.185 -2.549 1.00 0.00 C ATOM 0 HA PHE A 14 -11.069 0.181 -1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.941 2.191 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.364 0.778 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.361 1.666 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.135 -1.164 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.792 0.314 -4.057 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.563 -2.516 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.884 -1.778 -3.127 1.00 0.00 H new ATOM 209 N THR A 15 -12.002 1.142 1.228 1.00 0.00 N ATOM 210 CA THR A 15 -12.906 1.653 2.251 1.00 0.00 C ATOM 211 C THR A 15 -12.146 2.431 3.319 1.00 0.00 C ATOM 212 O THR A 15 -10.982 2.144 3.599 1.00 0.00 O ATOM 213 CB THR A 15 -13.692 0.513 2.925 1.00 0.00 C ATOM 214 OG1 THR A 15 -12.788 -0.485 3.413 1.00 0.00 O ATOM 215 CG2 THR A 15 -14.674 -0.119 1.949 1.00 0.00 C ATOM 0 H THR A 15 -11.641 0.206 1.413 1.00 0.00 H new ATOM 0 HA THR A 15 -13.606 2.321 1.749 1.00 0.00 H new ATOM 0 HB THR A 15 -14.253 0.933 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.296 -1.205 3.841 1.00 0.00 H new ATOM 0 HG21 THR A 15 -15.217 -0.921 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.380 0.636 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.129 -0.525 1.097 1.00 0.00 H new ATOM 223 N ASP A 16 -12.811 3.416 3.912 1.00 0.00 N ATOM 224 CA ASP A 16 -12.198 4.236 4.951 1.00 0.00 C ATOM 225 C ASP A 16 -11.348 3.381 5.886 1.00 0.00 C ATOM 226 O ASP A 16 -10.160 3.641 6.071 1.00 0.00 O ATOM 227 CB ASP A 16 -13.273 4.973 5.750 1.00 0.00 C ATOM 228 CG ASP A 16 -13.816 6.181 5.013 1.00 0.00 C ATOM 229 OD1 ASP A 16 -13.009 7.052 4.624 1.00 0.00 O ATOM 230 OD2 ASP A 16 -15.048 6.256 4.823 1.00 0.00 O ATOM 0 H ASP A 16 -13.775 3.666 3.691 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.551 4.968 4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -14.091 4.288 5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.857 5.291 6.706 1.00 0.00 H new ATOM 235 N GLU A 17 -11.967 2.361 6.473 1.00 0.00 N ATOM 236 CA GLU A 17 -11.267 1.470 7.391 1.00 0.00 C ATOM 237 C GLU A 17 -10.012 0.894 6.740 1.00 0.00 C ATOM 238 O GLU A 17 -8.915 0.995 7.288 1.00 0.00 O ATOM 239 CB GLU A 17 -12.190 0.334 7.837 1.00 0.00 C ATOM 240 CG GLU A 17 -11.707 -0.389 9.083 1.00 0.00 C ATOM 241 CD GLU A 17 -12.846 -0.953 9.909 1.00 0.00 C ATOM 242 OE1 GLU A 17 -13.743 -0.174 10.295 1.00 0.00 O ATOM 243 OE2 GLU A 17 -12.841 -2.175 10.169 1.00 0.00 O ATOM 0 H GLU A 17 -12.950 2.132 6.329 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.969 2.051 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.185 0.738 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.286 -0.385 7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.038 -1.199 8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.125 0.300 9.696 1.00 0.00 H new ATOM 250 N GLN A 18 -10.184 0.291 5.568 1.00 0.00 N ATOM 251 CA GLN A 18 -9.067 -0.301 4.843 1.00 0.00 C ATOM 252 C GLN A 18 -7.909 0.685 4.726 1.00 0.00 C ATOM 253 O GLN A 18 -6.756 0.338 4.983 1.00 0.00 O ATOM 254 CB GLN A 18 -9.514 -0.747 3.450 1.00 0.00 C ATOM 255 CG GLN A 18 -10.311 -2.042 3.452 1.00 0.00 C ATOM 256 CD GLN A 18 -10.918 -2.356 2.099 1.00 0.00 C ATOM 257 OE1 GLN A 18 -10.951 -1.507 1.208 1.00 0.00 O ATOM 258 NE2 GLN A 18 -11.403 -3.582 1.938 1.00 0.00 N ATOM 0 H GLN A 18 -11.086 0.200 5.101 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.724 -1.171 5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.119 0.041 3.002 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.635 -0.872 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.661 -2.863 3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.105 -1.974 4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.355 -4.254 2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.824 -3.851 1.049 1.00 0.00 H new ATOM 267 N LEU A 19 -8.224 1.916 4.338 1.00 0.00 N ATOM 268 CA LEU A 19 -7.210 2.954 4.187 1.00 0.00 C ATOM 269 C LEU A 19 -6.593 3.312 5.535 1.00 0.00 C ATOM 270 O LEU A 19 -5.375 3.433 5.658 1.00 0.00 O ATOM 271 CB LEU A 19 -7.820 4.201 3.545 1.00 0.00 C ATOM 272 CG LEU A 19 -8.268 4.055 2.090 1.00 0.00 C ATOM 273 CD1 LEU A 19 -9.070 5.272 1.654 1.00 0.00 C ATOM 274 CD2 LEU A 19 -7.066 3.852 1.179 1.00 0.00 C ATOM 0 H LEU A 19 -9.174 2.220 4.122 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.423 2.568 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.680 4.508 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.090 5.008 3.600 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.909 3.176 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.380 5.151 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.952 5.373 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.453 6.166 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.404 3.750 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.400 4.711 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.532 2.949 1.477 1.00 0.00 H new ATOM 286 N GLU A 20 -7.443 3.479 6.544 1.00 0.00 N ATOM 287 CA GLU A 20 -6.980 3.823 7.883 1.00 0.00 C ATOM 288 C GLU A 20 -5.792 2.955 8.287 1.00 0.00 C ATOM 289 O GLU A 20 -4.738 3.465 8.668 1.00 0.00 O ATOM 290 CB GLU A 20 -8.114 3.657 8.897 1.00 0.00 C ATOM 291 CG GLU A 20 -7.702 3.964 10.327 1.00 0.00 C ATOM 292 CD GLU A 20 -8.876 3.956 11.287 1.00 0.00 C ATOM 293 OE1 GLU A 20 -9.683 4.907 11.247 1.00 0.00 O ATOM 294 OE2 GLU A 20 -8.987 2.996 12.078 1.00 0.00 O ATOM 0 H GLU A 20 -8.455 3.382 6.459 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.661 4.865 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.939 4.312 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.488 2.634 8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.965 3.231 10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.217 4.940 10.360 1.00 0.00 H new ATOM 301 N ALA A 21 -5.970 1.641 8.201 1.00 0.00 N ATOM 302 CA ALA A 21 -4.913 0.702 8.556 1.00 0.00 C ATOM 303 C ALA A 21 -3.679 0.910 7.685 1.00 0.00 C ATOM 304 O ALA A 21 -2.590 1.191 8.189 1.00 0.00 O ATOM 305 CB ALA A 21 -5.414 -0.729 8.431 1.00 0.00 C ATOM 0 H ALA A 21 -6.836 1.203 7.889 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.630 0.887 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.614 -1.419 8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.261 -0.878 9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.726 -0.917 7.404 1.00 0.00 H new ATOM 311 N LEU A 22 -3.854 0.770 6.375 1.00 0.00 N ATOM 312 CA LEU A 22 -2.754 0.942 5.433 1.00 0.00 C ATOM 313 C LEU A 22 -1.958 2.204 5.750 1.00 0.00 C ATOM 314 O LEU A 22 -0.729 2.208 5.682 1.00 0.00 O ATOM 315 CB LEU A 22 -3.288 1.008 4.001 1.00 0.00 C ATOM 316 CG LEU A 22 -4.082 -0.209 3.524 1.00 0.00 C ATOM 317 CD1 LEU A 22 -4.879 0.130 2.274 1.00 0.00 C ATOM 318 CD2 LEU A 22 -3.151 -1.384 3.263 1.00 0.00 C ATOM 0 H LEU A 22 -4.748 0.538 5.941 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.090 0.083 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.923 1.889 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.444 1.154 3.326 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.782 -0.493 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.437 -0.748 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.573 0.941 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.198 0.440 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.733 -2.241 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.427 -1.111 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.625 -1.643 4.182 1.00 0.00 H new ATOM 330 N GLU A 23 -2.668 3.273 6.098 1.00 0.00 N ATOM 331 CA GLU A 23 -2.026 4.541 6.426 1.00 0.00 C ATOM 332 C GLU A 23 -1.349 4.470 7.792 1.00 0.00 C ATOM 333 O GLU A 23 -0.252 4.995 7.980 1.00 0.00 O ATOM 334 CB GLU A 23 -3.053 5.676 6.413 1.00 0.00 C ATOM 335 CG GLU A 23 -3.293 6.262 5.032 1.00 0.00 C ATOM 336 CD GLU A 23 -4.614 7.001 4.933 1.00 0.00 C ATOM 337 OE1 GLU A 23 -5.656 6.334 4.763 1.00 0.00 O ATOM 338 OE2 GLU A 23 -4.605 8.246 5.026 1.00 0.00 O ATOM 0 H GLU A 23 -3.686 3.286 6.160 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.265 4.740 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.998 5.305 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.715 6.468 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.480 6.944 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.273 5.461 4.293 1.00 0.00 H new ATOM 345 N ASN A 24 -2.011 3.817 8.742 1.00 0.00 N ATOM 346 CA ASN A 24 -1.474 3.678 10.090 1.00 0.00 C ATOM 347 C ASN A 24 -0.191 2.852 10.083 1.00 0.00 C ATOM 348 O ASN A 24 0.708 3.073 10.895 1.00 0.00 O ATOM 349 CB ASN A 24 -2.509 3.026 11.009 1.00 0.00 C ATOM 350 CG ASN A 24 -3.650 3.964 11.352 1.00 0.00 C ATOM 351 OD1 ASN A 24 -3.540 5.179 11.189 1.00 0.00 O ATOM 352 ND2 ASN A 24 -4.754 3.402 11.831 1.00 0.00 N ATOM 0 H ASN A 24 -2.920 3.376 8.603 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.241 4.674 10.466 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.908 2.134 10.527 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.021 2.700 11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.555 3.982 12.080 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.801 2.390 11.950 1.00 0.00 H new ATOM 359 N LEU A 25 -0.114 1.899 9.160 1.00 0.00 N ATOM 360 CA LEU A 25 1.059 1.039 9.045 1.00 0.00 C ATOM 361 C LEU A 25 2.110 1.670 8.137 1.00 0.00 C ATOM 362 O LEU A 25 3.291 1.726 8.482 1.00 0.00 O ATOM 363 CB LEU A 25 0.658 -0.334 8.503 1.00 0.00 C ATOM 364 CG LEU A 25 1.802 -1.315 8.246 1.00 0.00 C ATOM 365 CD1 LEU A 25 2.542 -1.622 9.539 1.00 0.00 C ATOM 366 CD2 LEU A 25 1.276 -2.595 7.613 1.00 0.00 C ATOM 0 H LEU A 25 -0.849 1.703 8.481 1.00 0.00 H new ATOM 0 HA LEU A 25 1.490 0.919 10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.035 -0.792 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.114 -0.189 7.570 1.00 0.00 H new ATOM 0 HG LEU A 25 2.503 -0.852 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.353 -2.322 9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.953 -0.700 9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.852 -2.064 10.257 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.105 -3.281 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.554 -3.062 8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.792 -2.360 6.665 1.00 0.00 H new ATOM 378 N PHE A 26 1.673 2.146 6.976 1.00 0.00 N ATOM 379 CA PHE A 26 2.575 2.774 6.019 1.00 0.00 C ATOM 380 C PHE A 26 3.249 3.999 6.629 1.00 0.00 C ATOM 381 O PHE A 26 4.372 4.347 6.267 1.00 0.00 O ATOM 382 CB PHE A 26 1.813 3.174 4.754 1.00 0.00 C ATOM 383 CG PHE A 26 2.594 4.080 3.845 1.00 0.00 C ATOM 384 CD1 PHE A 26 3.451 3.555 2.892 1.00 0.00 C ATOM 385 CD2 PHE A 26 2.469 5.457 3.944 1.00 0.00 C ATOM 386 CE1 PHE A 26 4.171 4.387 2.055 1.00 0.00 C ATOM 387 CE2 PHE A 26 3.187 6.293 3.109 1.00 0.00 C ATOM 388 CZ PHE A 26 4.038 5.757 2.163 1.00 0.00 C ATOM 0 H PHE A 26 0.699 2.109 6.675 1.00 0.00 H new ATOM 0 HA PHE A 26 3.346 2.050 5.756 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.536 2.273 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.886 3.671 5.040 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.558 2.484 2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.804 5.881 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.837 3.965 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.082 7.364 3.197 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.599 6.408 1.509 1.00 0.00 H new ATOM 398 N GLN A 27 2.553 4.648 7.557 1.00 0.00 N ATOM 399 CA GLN A 27 3.083 5.836 8.218 1.00 0.00 C ATOM 400 C GLN A 27 4.254 5.476 9.126 1.00 0.00 C ATOM 401 O GLN A 27 5.308 6.110 9.076 1.00 0.00 O ATOM 402 CB GLN A 27 1.986 6.527 9.029 1.00 0.00 C ATOM 403 CG GLN A 27 1.061 7.392 8.188 1.00 0.00 C ATOM 404 CD GLN A 27 1.704 8.700 7.771 1.00 0.00 C ATOM 405 OE1 GLN A 27 2.309 9.395 8.588 1.00 0.00 O ATOM 406 NE2 GLN A 27 1.577 9.042 6.495 1.00 0.00 N ATOM 0 H GLN A 27 1.622 4.372 7.868 1.00 0.00 H new ATOM 0 HA GLN A 27 3.441 6.520 7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.394 5.770 9.543 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.449 7.146 9.798 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.762 6.839 7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.153 7.602 8.753 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.067 8.436 5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.989 9.911 6.157 1.00 0.00 H new ATOM 415 N GLU A 28 4.061 4.456 9.957 1.00 0.00 N ATOM 416 CA GLU A 28 5.101 4.014 10.878 1.00 0.00 C ATOM 417 C GLU A 28 6.250 3.351 10.123 1.00 0.00 C ATOM 418 O GLU A 28 7.421 3.567 10.436 1.00 0.00 O ATOM 419 CB GLU A 28 4.523 3.040 11.906 1.00 0.00 C ATOM 420 CG GLU A 28 3.715 1.911 11.288 1.00 0.00 C ATOM 421 CD GLU A 28 3.261 0.890 12.313 1.00 0.00 C ATOM 422 OE1 GLU A 28 3.944 0.743 13.347 1.00 0.00 O ATOM 423 OE2 GLU A 28 2.221 0.238 12.079 1.00 0.00 O ATOM 0 H GLU A 28 3.194 3.921 10.011 1.00 0.00 H new ATOM 0 HA GLU A 28 5.488 4.891 11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.339 2.614 12.489 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.889 3.592 12.600 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.843 2.327 10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.316 1.414 10.527 1.00 0.00 H new ATOM 430 N THR A 29 5.907 2.542 9.126 1.00 0.00 N ATOM 431 CA THR A 29 6.907 1.845 8.327 1.00 0.00 C ATOM 432 C THR A 29 6.583 1.934 6.840 1.00 0.00 C ATOM 433 O THR A 29 5.437 1.743 6.432 1.00 0.00 O ATOM 434 CB THR A 29 7.015 0.363 8.730 1.00 0.00 C ATOM 435 OG1 THR A 29 8.169 -0.228 8.121 1.00 0.00 O ATOM 436 CG2 THR A 29 5.769 -0.403 8.315 1.00 0.00 C ATOM 0 H THR A 29 4.943 2.353 8.852 1.00 0.00 H new ATOM 0 HA THR A 29 7.861 2.336 8.518 1.00 0.00 H new ATOM 0 HB THR A 29 7.110 0.311 9.815 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.231 -1.170 8.384 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.869 -1.447 8.610 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.896 0.030 8.803 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.648 -0.342 7.234 1.00 0.00 H new ATOM 444 N LYS A 30 7.598 2.224 6.034 1.00 0.00 N ATOM 445 CA LYS A 30 7.422 2.336 4.591 1.00 0.00 C ATOM 446 C LYS A 30 7.162 0.969 3.967 1.00 0.00 C ATOM 447 O LYS A 30 6.311 0.829 3.088 1.00 0.00 O ATOM 448 CB LYS A 30 8.659 2.973 3.953 1.00 0.00 C ATOM 449 CG LYS A 30 8.750 4.473 4.169 1.00 0.00 C ATOM 450 CD LYS A 30 7.790 5.226 3.263 1.00 0.00 C ATOM 451 CE LYS A 30 7.749 6.708 3.603 1.00 0.00 C ATOM 452 NZ LYS A 30 6.706 7.427 2.821 1.00 0.00 N ATOM 0 H LYS A 30 8.552 2.386 6.356 1.00 0.00 H new ATOM 0 HA LYS A 30 6.557 2.972 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.552 2.501 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.652 2.768 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.527 4.706 5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.770 4.808 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.093 5.098 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.790 4.802 3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.554 6.831 4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.724 7.153 3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.434 8.297 3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.082 7.671 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.872 6.816 2.711 1.00 0.00 H new ATOM 466 N TYR A 31 7.899 -0.036 4.427 1.00 0.00 N ATOM 467 CA TYR A 31 7.748 -1.392 3.913 1.00 0.00 C ATOM 468 C TYR A 31 7.687 -2.404 5.053 1.00 0.00 C ATOM 469 O TYR A 31 8.702 -2.771 5.646 1.00 0.00 O ATOM 470 CB TYR A 31 8.905 -1.735 2.973 1.00 0.00 C ATOM 471 CG TYR A 31 8.862 -0.987 1.660 1.00 0.00 C ATOM 472 CD1 TYR A 31 9.082 0.384 1.612 1.00 0.00 C ATOM 473 CD2 TYR A 31 8.601 -1.651 0.468 1.00 0.00 C ATOM 474 CE1 TYR A 31 9.043 1.072 0.414 1.00 0.00 C ATOM 475 CE2 TYR A 31 8.561 -0.971 -0.734 1.00 0.00 C ATOM 476 CZ TYR A 31 8.782 0.390 -0.756 1.00 0.00 C ATOM 477 OH TYR A 31 8.743 1.071 -1.951 1.00 0.00 O ATOM 0 H TYR A 31 8.607 0.063 5.155 1.00 0.00 H new ATOM 0 HA TYR A 31 6.811 -1.441 3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.847 -1.516 3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.893 -2.806 2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.287 0.921 2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.426 -2.717 0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.216 2.138 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.358 -1.503 -1.652 1.00 0.00 H new ATOM 0 HH TYR A 31 8.548 0.444 -2.679 1.00 0.00 H new ATOM 487 N PRO A 32 6.468 -2.866 5.368 1.00 0.00 N ATOM 488 CA PRO A 32 6.244 -3.842 6.439 1.00 0.00 C ATOM 489 C PRO A 32 6.784 -5.224 6.086 1.00 0.00 C ATOM 490 O PRO A 32 7.217 -5.462 4.958 1.00 0.00 O ATOM 491 CB PRO A 32 4.719 -3.881 6.569 1.00 0.00 C ATOM 492 CG PRO A 32 4.213 -3.460 5.232 1.00 0.00 C ATOM 493 CD PRO A 32 5.215 -2.471 4.703 1.00 0.00 C ATOM 0 HA PRO A 32 6.757 -3.563 7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.369 -4.880 6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.371 -3.209 7.353 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.119 -4.316 4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.224 -3.008 5.313 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.301 -2.527 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.936 -1.446 4.948 1.00 0.00 H new ATOM 501 N ASP A 33 6.754 -6.131 7.056 1.00 0.00 N ATOM 502 CA ASP A 33 7.239 -7.490 6.846 1.00 0.00 C ATOM 503 C ASP A 33 6.099 -8.416 6.434 1.00 0.00 C ATOM 504 O ASP A 33 4.950 -8.216 6.826 1.00 0.00 O ATOM 505 CB ASP A 33 7.907 -8.017 8.117 1.00 0.00 C ATOM 506 CG ASP A 33 7.128 -7.665 9.370 1.00 0.00 C ATOM 507 OD1 ASP A 33 6.253 -8.462 9.767 1.00 0.00 O ATOM 508 OD2 ASP A 33 7.393 -6.592 9.951 1.00 0.00 O ATOM 0 H ASP A 33 6.399 -5.950 7.995 1.00 0.00 H new ATOM 0 HA ASP A 33 7.974 -7.468 6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.008 -9.100 8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.914 -7.607 8.192 1.00 0.00 H new ATOM 513 N VAL A 34 6.426 -9.431 5.641 1.00 0.00 N ATOM 514 CA VAL A 34 5.430 -10.389 5.175 1.00 0.00 C ATOM 515 C VAL A 34 4.454 -10.752 6.289 1.00 0.00 C ATOM 516 O VAL A 34 3.257 -10.905 6.053 1.00 0.00 O ATOM 517 CB VAL A 34 6.093 -11.676 4.648 1.00 0.00 C ATOM 518 CG1 VAL A 34 6.911 -12.343 5.743 1.00 0.00 C ATOM 519 CG2 VAL A 34 5.041 -12.630 4.100 1.00 0.00 C ATOM 0 H VAL A 34 7.373 -9.611 5.308 1.00 0.00 H new ATOM 0 HA VAL A 34 4.886 -9.910 4.361 1.00 0.00 H new ATOM 0 HB VAL A 34 6.769 -11.410 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.371 -13.250 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.689 -11.659 6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.260 -12.598 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.526 -13.534 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.339 -12.892 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.503 -12.148 3.283 1.00 0.00 H new ATOM 529 N GLY A 35 4.976 -10.889 7.504 1.00 0.00 N ATOM 530 CA GLY A 35 4.137 -11.233 8.637 1.00 0.00 C ATOM 531 C GLY A 35 3.046 -10.209 8.882 1.00 0.00 C ATOM 532 O GLY A 35 1.872 -10.559 9.008 1.00 0.00 O ATOM 0 H GLY A 35 5.965 -10.768 7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.683 -12.209 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.756 -11.321 9.530 1.00 0.00 H new ATOM 536 N THR A 36 3.433 -8.939 8.953 1.00 0.00 N ATOM 537 CA THR A 36 2.480 -7.862 9.188 1.00 0.00 C ATOM 538 C THR A 36 1.495 -7.737 8.031 1.00 0.00 C ATOM 539 O THR A 36 0.295 -7.556 8.242 1.00 0.00 O ATOM 540 CB THR A 36 3.196 -6.512 9.385 1.00 0.00 C ATOM 541 OG1 THR A 36 4.144 -6.612 10.453 1.00 0.00 O ATOM 542 CG2 THR A 36 2.194 -5.408 9.691 1.00 0.00 C ATOM 0 H THR A 36 4.400 -8.632 8.851 1.00 0.00 H new ATOM 0 HA THR A 36 1.937 -8.114 10.099 1.00 0.00 H new ATOM 0 HB THR A 36 3.716 -6.263 8.460 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.768 -7.345 10.269 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.722 -4.464 9.826 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.491 -5.315 8.863 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.650 -5.653 10.603 1.00 0.00 H new ATOM 550 N ARG A 37 2.008 -7.836 6.809 1.00 0.00 N ATOM 551 CA ARG A 37 1.172 -7.734 5.619 1.00 0.00 C ATOM 552 C ARG A 37 0.057 -8.775 5.647 1.00 0.00 C ATOM 553 O ARG A 37 -1.101 -8.464 5.370 1.00 0.00 O ATOM 554 CB ARG A 37 2.020 -7.913 4.358 1.00 0.00 C ATOM 555 CG ARG A 37 2.864 -6.696 4.014 1.00 0.00 C ATOM 556 CD ARG A 37 3.242 -6.679 2.541 1.00 0.00 C ATOM 557 NE ARG A 37 4.477 -7.416 2.284 1.00 0.00 N ATOM 558 CZ ARG A 37 5.689 -6.895 2.437 1.00 0.00 C ATOM 559 NH1 ARG A 37 5.828 -5.641 2.844 1.00 0.00 N ATOM 560 NH2 ARG A 37 6.765 -7.629 2.184 1.00 0.00 N ATOM 0 H ARG A 37 2.998 -7.987 6.617 1.00 0.00 H new ATOM 0 HA ARG A 37 0.719 -6.742 5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.676 -8.774 4.490 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.363 -8.139 3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.313 -5.788 4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.768 -6.695 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.432 -7.113 1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.360 -5.648 2.209 1.00 0.00 H new ATOM 0 HE ARG A 37 4.404 -8.384 1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.003 -5.074 3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.760 -5.243 2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.662 -8.594 1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.695 -7.228 2.302 1.00 0.00 H new ATOM 574 N GLU A 38 0.415 -10.010 5.983 1.00 0.00 N ATOM 575 CA GLU A 38 -0.556 -11.096 6.045 1.00 0.00 C ATOM 576 C GLU A 38 -1.669 -10.774 7.038 1.00 0.00 C ATOM 577 O GLU A 38 -2.850 -10.812 6.695 1.00 0.00 O ATOM 578 CB GLU A 38 0.133 -12.404 6.440 1.00 0.00 C ATOM 579 CG GLU A 38 0.726 -13.160 5.263 1.00 0.00 C ATOM 580 CD GLU A 38 1.266 -14.521 5.656 1.00 0.00 C ATOM 581 OE1 GLU A 38 2.318 -14.569 6.328 1.00 0.00 O ATOM 582 OE2 GLU A 38 0.638 -15.537 5.292 1.00 0.00 O ATOM 0 H GLU A 38 1.370 -10.283 6.216 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.998 -11.211 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.925 -12.186 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.588 -13.046 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.037 -13.284 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.529 -12.568 4.823 1.00 0.00 H new ATOM 589 N GLN A 39 -1.282 -10.459 8.270 1.00 0.00 N ATOM 590 CA GLN A 39 -2.247 -10.132 9.313 1.00 0.00 C ATOM 591 C GLN A 39 -3.111 -8.944 8.903 1.00 0.00 C ATOM 592 O GLN A 39 -4.339 -9.033 8.885 1.00 0.00 O ATOM 593 CB GLN A 39 -1.525 -9.824 10.626 1.00 0.00 C ATOM 594 CG GLN A 39 -1.218 -11.060 11.456 1.00 0.00 C ATOM 595 CD GLN A 39 -0.708 -10.720 12.843 1.00 0.00 C ATOM 596 OE1 GLN A 39 -1.010 -9.656 13.384 1.00 0.00 O ATOM 597 NE2 GLN A 39 0.071 -11.624 13.425 1.00 0.00 N ATOM 0 H GLN A 39 -0.308 -10.423 8.570 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.895 -10.996 9.457 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.593 -9.304 10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.138 -9.143 11.217 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.119 -11.667 11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.474 -11.665 10.938 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.295 -12.492 12.939 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.445 -11.450 14.358 1.00 0.00 H new ATOM 606 N LEU A 40 -2.462 -7.833 8.573 1.00 0.00 N ATOM 607 CA LEU A 40 -3.170 -6.626 8.163 1.00 0.00 C ATOM 608 C LEU A 40 -4.237 -6.948 7.121 1.00 0.00 C ATOM 609 O LEU A 40 -5.392 -6.546 7.256 1.00 0.00 O ATOM 610 CB LEU A 40 -2.186 -5.599 7.601 1.00 0.00 C ATOM 611 CG LEU A 40 -2.737 -4.189 7.384 1.00 0.00 C ATOM 612 CD1 LEU A 40 -2.546 -3.343 8.634 1.00 0.00 C ATOM 613 CD2 LEU A 40 -2.068 -3.533 6.186 1.00 0.00 C ATOM 0 H LEU A 40 -1.446 -7.743 8.581 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.661 -6.207 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.334 -5.534 8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.809 -5.971 6.648 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.805 -4.264 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.944 -2.343 8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.073 -3.804 9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.484 -3.275 8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.473 -2.531 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.994 -3.470 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.258 -4.128 5.293 1.00 0.00 H new ATOM 625 N ALA A 41 -3.841 -7.678 6.083 1.00 0.00 N ATOM 626 CA ALA A 41 -4.763 -8.058 5.020 1.00 0.00 C ATOM 627 C ALA A 41 -6.079 -8.574 5.594 1.00 0.00 C ATOM 628 O ALA A 41 -7.130 -7.961 5.410 1.00 0.00 O ATOM 629 CB ALA A 41 -4.129 -9.108 4.121 1.00 0.00 C ATOM 0 H ALA A 41 -2.888 -8.018 5.956 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.979 -7.170 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.829 -9.382 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.220 -8.704 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.883 -9.991 4.711 1.00 0.00 H new ATOM 635 N ARG A 42 -6.012 -9.706 6.288 1.00 0.00 N ATOM 636 CA ARG A 42 -7.199 -10.305 6.886 1.00 0.00 C ATOM 637 C ARG A 42 -7.932 -9.298 7.767 1.00 0.00 C ATOM 638 O ARG A 42 -9.161 -9.290 7.829 1.00 0.00 O ATOM 639 CB ARG A 42 -6.814 -11.535 7.711 1.00 0.00 C ATOM 640 CG ARG A 42 -6.697 -12.808 6.888 1.00 0.00 C ATOM 641 CD ARG A 42 -6.957 -14.044 7.735 1.00 0.00 C ATOM 642 NE ARG A 42 -8.373 -14.198 8.057 1.00 0.00 N ATOM 643 CZ ARG A 42 -8.824 -14.976 9.035 1.00 0.00 C ATOM 644 NH1 ARG A 42 -7.974 -15.667 9.782 1.00 0.00 N ATOM 645 NH2 ARG A 42 -10.127 -15.065 9.267 1.00 0.00 N ATOM 0 H ARG A 42 -5.149 -10.226 6.450 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.867 -10.610 6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.863 -11.345 8.208 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.558 -11.685 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.408 -12.775 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.701 -12.869 6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.608 -14.929 7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.380 -13.979 8.658 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.053 -13.680 7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.971 -15.602 9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.323 -16.264 10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.784 -14.536 8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.472 -15.663 10.018 1.00 0.00 H new ATOM 659 N LYS A 43 -7.168 -8.450 8.448 1.00 0.00 N ATOM 660 CA LYS A 43 -7.744 -7.437 9.326 1.00 0.00 C ATOM 661 C LYS A 43 -8.562 -6.428 8.528 1.00 0.00 C ATOM 662 O LYS A 43 -9.641 -6.014 8.953 1.00 0.00 O ATOM 663 CB LYS A 43 -6.638 -6.716 10.099 1.00 0.00 C ATOM 664 CG LYS A 43 -7.114 -5.464 10.816 1.00 0.00 C ATOM 665 CD LYS A 43 -8.082 -5.799 11.938 1.00 0.00 C ATOM 666 CE LYS A 43 -8.109 -4.706 12.996 1.00 0.00 C ATOM 667 NZ LYS A 43 -9.238 -4.885 13.950 1.00 0.00 N ATOM 0 H LYS A 43 -6.149 -8.444 8.409 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.406 -7.937 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.210 -7.402 10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.839 -6.447 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.256 -4.928 11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.599 -4.797 10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.083 -5.935 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.795 -6.745 12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.167 -4.708 13.544 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.194 -3.733 12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.221 -4.120 14.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.139 -4.858 13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.143 -5.802 14.432 1.00 0.00 H new ATOM 681 N VAL A 44 -8.043 -6.035 7.368 1.00 0.00 N ATOM 682 CA VAL A 44 -8.728 -5.076 6.510 1.00 0.00 C ATOM 683 C VAL A 44 -9.552 -5.785 5.441 1.00 0.00 C ATOM 684 O VAL A 44 -10.174 -5.144 4.594 1.00 0.00 O ATOM 685 CB VAL A 44 -7.730 -4.124 5.825 1.00 0.00 C ATOM 686 CG1 VAL A 44 -6.954 -3.327 6.863 1.00 0.00 C ATOM 687 CG2 VAL A 44 -6.784 -4.902 4.923 1.00 0.00 C ATOM 0 H VAL A 44 -7.151 -6.366 7.002 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.392 -4.496 7.151 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.290 -3.423 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.254 -2.660 6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.648 -2.739 7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.404 -4.010 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.086 -4.213 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.229 -5.628 5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.358 -5.423 4.157 1.00 0.00 H new ATOM 697 N HIS A 45 -9.552 -7.114 5.486 1.00 0.00 N ATOM 698 CA HIS A 45 -10.300 -7.912 4.522 1.00 0.00 C ATOM 699 C HIS A 45 -9.774 -7.689 3.107 1.00 0.00 C ATOM 700 O HIS A 45 -10.546 -7.459 2.175 1.00 0.00 O ATOM 701 CB HIS A 45 -11.788 -7.564 4.585 1.00 0.00 C ATOM 702 CG HIS A 45 -12.392 -7.762 5.941 1.00 0.00 C ATOM 703 ND1 HIS A 45 -13.468 -8.592 6.172 1.00 0.00 N ATOM 704 CD2 HIS A 45 -12.063 -7.232 7.143 1.00 0.00 C ATOM 705 CE1 HIS A 45 -13.776 -8.564 7.456 1.00 0.00 C ATOM 706 NE2 HIS A 45 -12.939 -7.746 8.068 1.00 0.00 N ATOM 0 H HIS A 45 -9.042 -7.660 6.180 1.00 0.00 H new ATOM 0 HA HIS A 45 -10.169 -8.963 4.779 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -11.923 -6.525 4.284 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.327 -8.177 3.863 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -11.261 -6.535 7.338 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -14.576 -9.116 7.926 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -12.942 -7.531 9.065 1.00 0.00 H new ATOM 715 N LEU A 46 -8.456 -7.758 2.954 1.00 0.00 N ATOM 716 CA LEU A 46 -7.826 -7.564 1.653 1.00 0.00 C ATOM 717 C LEU A 46 -6.772 -8.636 1.393 1.00 0.00 C ATOM 718 O LEU A 46 -6.404 -9.390 2.293 1.00 0.00 O ATOM 719 CB LEU A 46 -7.187 -6.176 1.576 1.00 0.00 C ATOM 720 CG LEU A 46 -8.144 -4.989 1.704 1.00 0.00 C ATOM 721 CD1 LEU A 46 -7.366 -3.690 1.849 1.00 0.00 C ATOM 722 CD2 LEU A 46 -9.076 -4.924 0.503 1.00 0.00 C ATOM 0 H LEU A 46 -7.803 -7.947 3.715 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.598 -7.646 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.437 -6.099 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.661 -6.092 0.625 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.748 -5.128 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.063 -2.857 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.741 -3.738 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.736 -3.543 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.750 -4.074 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.488 -4.808 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.659 -5.843 0.444 1.00 0.00 H new ATOM 734 N ARG A 47 -6.289 -8.695 0.156 1.00 0.00 N ATOM 735 CA ARG A 47 -5.276 -9.673 -0.222 1.00 0.00 C ATOM 736 C ARG A 47 -3.874 -9.144 0.065 1.00 0.00 C ATOM 737 O ARG A 47 -3.586 -7.970 -0.163 1.00 0.00 O ATOM 738 CB ARG A 47 -5.406 -10.025 -1.705 1.00 0.00 C ATOM 739 CG ARG A 47 -6.700 -10.744 -2.050 1.00 0.00 C ATOM 740 CD ARG A 47 -7.797 -9.763 -2.433 1.00 0.00 C ATOM 741 NE ARG A 47 -9.124 -10.368 -2.358 1.00 0.00 N ATOM 742 CZ ARG A 47 -10.195 -9.870 -2.966 1.00 0.00 C ATOM 743 NH1 ARG A 47 -10.095 -8.764 -3.691 1.00 0.00 N ATOM 744 NH2 ARG A 47 -11.368 -10.479 -2.851 1.00 0.00 N ATOM 0 H ARG A 47 -6.583 -8.077 -0.601 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.435 -10.572 0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.341 -9.110 -2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.563 -10.652 -1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.525 -11.436 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.025 -11.340 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.756 -8.897 -1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.621 -9.400 -3.446 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.235 -11.220 -1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.194 -8.294 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.919 -8.383 -4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.448 -11.331 -2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.190 -10.096 -3.318 1.00 0.00 H new ATOM 758 N GLU A 48 -3.008 -10.019 0.567 1.00 0.00 N ATOM 759 CA GLU A 48 -1.637 -9.638 0.886 1.00 0.00 C ATOM 760 C GLU A 48 -1.057 -8.735 -0.198 1.00 0.00 C ATOM 761 O GLU A 48 -0.429 -7.719 0.097 1.00 0.00 O ATOM 762 CB GLU A 48 -0.764 -10.884 1.050 1.00 0.00 C ATOM 763 CG GLU A 48 -1.047 -11.663 2.323 1.00 0.00 C ATOM 764 CD GLU A 48 -2.147 -12.692 2.145 1.00 0.00 C ATOM 765 OE1 GLU A 48 -2.043 -13.517 1.213 1.00 0.00 O ATOM 766 OE2 GLU A 48 -3.112 -12.672 2.938 1.00 0.00 O ATOM 0 H GLU A 48 -3.231 -10.995 0.761 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.649 -9.085 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.916 -11.539 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.284 -10.586 1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.135 -12.164 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.329 -10.969 3.114 1.00 0.00 H new ATOM 773 N GLU A 49 -1.271 -9.115 -1.454 1.00 0.00 N ATOM 774 CA GLU A 49 -0.767 -8.341 -2.582 1.00 0.00 C ATOM 775 C GLU A 49 -1.311 -6.915 -2.549 1.00 0.00 C ATOM 776 O GLU A 49 -0.554 -5.948 -2.630 1.00 0.00 O ATOM 777 CB GLU A 49 -1.150 -9.013 -3.902 1.00 0.00 C ATOM 778 CG GLU A 49 -0.667 -10.449 -4.016 1.00 0.00 C ATOM 779 CD GLU A 49 -0.695 -10.963 -5.442 1.00 0.00 C ATOM 780 OE1 GLU A 49 -1.766 -11.428 -5.885 1.00 0.00 O ATOM 781 OE2 GLU A 49 0.355 -10.900 -6.116 1.00 0.00 O ATOM 0 H GLU A 49 -1.790 -9.953 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 49 0.320 -8.300 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.235 -8.994 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.738 -8.433 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.350 -10.518 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.290 -11.089 -3.391 1.00 0.00 H new ATOM 788 N LYS A 50 -2.628 -6.793 -2.430 1.00 0.00 N ATOM 789 CA LYS A 50 -3.275 -5.487 -2.385 1.00 0.00 C ATOM 790 C LYS A 50 -2.591 -4.575 -1.371 1.00 0.00 C ATOM 791 O LYS A 50 -2.335 -3.404 -1.649 1.00 0.00 O ATOM 792 CB LYS A 50 -4.756 -5.641 -2.031 1.00 0.00 C ATOM 793 CG LYS A 50 -5.623 -6.056 -3.207 1.00 0.00 C ATOM 794 CD LYS A 50 -6.239 -4.851 -3.898 1.00 0.00 C ATOM 795 CE LYS A 50 -5.397 -4.395 -5.079 1.00 0.00 C ATOM 796 NZ LYS A 50 -5.427 -5.380 -6.195 1.00 0.00 N ATOM 0 H LYS A 50 -3.269 -7.583 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.189 -5.032 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.856 -6.382 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.126 -4.696 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.023 -6.619 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.414 -6.721 -2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.243 -5.101 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.340 -4.033 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.762 -3.432 -5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.367 -4.245 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.210 -4.897 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.720 -6.123 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.372 -5.809 -6.254 1.00 0.00 H new ATOM 810 N VAL A 51 -2.296 -5.121 -0.195 1.00 0.00 N ATOM 811 CA VAL A 51 -1.639 -4.357 0.858 1.00 0.00 C ATOM 812 C VAL A 51 -0.376 -3.680 0.340 1.00 0.00 C ATOM 813 O VAL A 51 -0.168 -2.486 0.555 1.00 0.00 O ATOM 814 CB VAL A 51 -1.274 -5.254 2.056 1.00 0.00 C ATOM 815 CG1 VAL A 51 -0.501 -4.462 3.100 1.00 0.00 C ATOM 816 CG2 VAL A 51 -2.526 -5.870 2.662 1.00 0.00 C ATOM 0 H VAL A 51 -2.502 -6.089 0.052 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.346 -3.595 1.186 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.635 -6.062 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.252 -5.112 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.416 -4.074 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.113 -3.632 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.249 -6.500 3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.193 -5.078 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.035 -6.474 1.910 1.00 0.00 H new ATOM 826 N GLU A 52 0.464 -4.451 -0.343 1.00 0.00 N ATOM 827 CA GLU A 52 1.708 -3.924 -0.892 1.00 0.00 C ATOM 828 C GLU A 52 1.429 -2.881 -1.971 1.00 0.00 C ATOM 829 O GLU A 52 2.069 -1.831 -2.016 1.00 0.00 O ATOM 830 CB GLU A 52 2.557 -5.058 -1.471 1.00 0.00 C ATOM 831 CG GLU A 52 3.791 -4.576 -2.215 1.00 0.00 C ATOM 832 CD GLU A 52 4.857 -4.029 -1.284 1.00 0.00 C ATOM 833 OE1 GLU A 52 4.583 -3.027 -0.591 1.00 0.00 O ATOM 834 OE2 GLU A 52 5.965 -4.605 -1.248 1.00 0.00 O ATOM 0 H GLU A 52 0.306 -5.441 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 52 2.258 -3.445 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.866 -5.719 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.943 -5.651 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.207 -5.401 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.503 -3.802 -2.926 1.00 0.00 H new ATOM 841 N VAL A 53 0.468 -3.180 -2.839 1.00 0.00 N ATOM 842 CA VAL A 53 0.102 -2.270 -3.918 1.00 0.00 C ATOM 843 C VAL A 53 -0.162 -0.865 -3.386 1.00 0.00 C ATOM 844 O VAL A 53 0.484 0.097 -3.800 1.00 0.00 O ATOM 845 CB VAL A 53 -1.147 -2.765 -4.671 1.00 0.00 C ATOM 846 CG1 VAL A 53 -1.518 -1.797 -5.784 1.00 0.00 C ATOM 847 CG2 VAL A 53 -0.916 -4.163 -5.223 1.00 0.00 C ATOM 0 H VAL A 53 -0.071 -4.045 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 53 0.945 -2.242 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.980 -2.810 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.403 -2.163 -6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.728 -0.816 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.690 -1.717 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.808 -4.497 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.071 -4.147 -5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.703 -4.848 -4.402 1.00 0.00 H new ATOM 857 N TRP A 54 -1.114 -0.756 -2.467 1.00 0.00 N ATOM 858 CA TRP A 54 -1.464 0.531 -1.878 1.00 0.00 C ATOM 859 C TRP A 54 -0.219 1.257 -1.378 1.00 0.00 C ATOM 860 O TRP A 54 0.061 2.383 -1.787 1.00 0.00 O ATOM 861 CB TRP A 54 -2.453 0.337 -0.727 1.00 0.00 C ATOM 862 CG TRP A 54 -2.962 1.627 -0.158 1.00 0.00 C ATOM 863 CD1 TRP A 54 -4.107 2.283 -0.510 1.00 0.00 C ATOM 864 CD2 TRP A 54 -2.342 2.416 0.863 1.00 0.00 C ATOM 865 NE1 TRP A 54 -4.236 3.433 0.231 1.00 0.00 N ATOM 866 CE2 TRP A 54 -3.167 3.537 1.081 1.00 0.00 C ATOM 867 CE3 TRP A 54 -1.172 2.285 1.616 1.00 0.00 C ATOM 868 CZ2 TRP A 54 -2.857 4.519 2.019 1.00 0.00 C ATOM 869 CZ3 TRP A 54 -0.866 3.260 2.546 1.00 0.00 C ATOM 870 CH2 TRP A 54 -1.705 4.364 2.741 1.00 0.00 C ATOM 0 H TRP A 54 -1.658 -1.543 -2.113 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.932 1.141 -2.651 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.298 -0.255 -1.079 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.970 -0.236 0.065 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.808 1.947 -1.260 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.004 4.101 0.160 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.519 1.437 1.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.502 5.372 2.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.036 3.169 3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.437 5.108 3.476 1.00 0.00 H new ATOM 881 N PHE A 55 0.524 0.604 -0.491 1.00 0.00 N ATOM 882 CA PHE A 55 1.739 1.188 0.065 1.00 0.00 C ATOM 883 C PHE A 55 2.566 1.865 -1.024 1.00 0.00 C ATOM 884 O PHE A 55 3.056 2.980 -0.845 1.00 0.00 O ATOM 885 CB PHE A 55 2.576 0.112 0.761 1.00 0.00 C ATOM 886 CG PHE A 55 2.209 -0.093 2.203 1.00 0.00 C ATOM 887 CD1 PHE A 55 0.930 -0.491 2.557 1.00 0.00 C ATOM 888 CD2 PHE A 55 3.144 0.113 3.205 1.00 0.00 C ATOM 889 CE1 PHE A 55 0.589 -0.681 3.883 1.00 0.00 C ATOM 890 CE2 PHE A 55 2.809 -0.076 4.533 1.00 0.00 C ATOM 891 CZ PHE A 55 1.530 -0.472 4.872 1.00 0.00 C ATOM 0 H PHE A 55 0.306 -0.329 -0.142 1.00 0.00 H new ATOM 0 HA PHE A 55 1.447 1.942 0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.458 -0.831 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.629 0.385 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.190 -0.655 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.145 0.425 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.411 -0.992 4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.547 0.086 5.305 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.266 -0.618 5.909 1.00 0.00 H new ATOM 901 N LYS A 56 2.716 1.183 -2.154 1.00 0.00 N ATOM 902 CA LYS A 56 3.481 1.716 -3.275 1.00 0.00 C ATOM 903 C LYS A 56 2.772 2.915 -3.897 1.00 0.00 C ATOM 904 O LYS A 56 3.372 3.972 -4.088 1.00 0.00 O ATOM 905 CB LYS A 56 3.698 0.632 -4.333 1.00 0.00 C ATOM 906 CG LYS A 56 4.700 -0.431 -3.919 1.00 0.00 C ATOM 907 CD LYS A 56 4.405 -1.765 -4.585 1.00 0.00 C ATOM 908 CE LYS A 56 4.915 -1.797 -6.017 1.00 0.00 C ATOM 909 NZ LYS A 56 6.403 -1.792 -6.077 1.00 0.00 N ATOM 0 H LYS A 56 2.317 0.259 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 56 4.449 2.045 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.743 0.154 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.039 1.100 -5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.706 -0.106 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.678 -0.551 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.870 -2.569 -4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.330 -1.948 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.535 -2.687 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.527 -0.935 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.714 -2.132 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.753 -0.824 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.782 -2.416 -5.337 1.00 0.00 H new ATOM 923 N ASN A 57 1.492 2.742 -4.210 1.00 0.00 N ATOM 924 CA ASN A 57 0.701 3.810 -4.810 1.00 0.00 C ATOM 925 C ASN A 57 0.828 5.100 -4.004 1.00 0.00 C ATOM 926 O ASN A 57 0.805 6.197 -4.561 1.00 0.00 O ATOM 927 CB ASN A 57 -0.769 3.396 -4.901 1.00 0.00 C ATOM 928 CG ASN A 57 -0.948 2.042 -5.561 1.00 0.00 C ATOM 929 OD1 ASN A 57 0.027 1.353 -5.864 1.00 0.00 O ATOM 930 ND2 ASN A 57 -2.198 1.655 -5.787 1.00 0.00 N ATOM 0 H ASN A 57 0.981 1.873 -4.058 1.00 0.00 H new ATOM 0 HA ASN A 57 1.084 3.990 -5.815 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.199 3.369 -3.900 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.321 4.148 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.381 0.754 -6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.975 2.259 -5.519 1.00 0.00 H new ATOM 937 N ARG A 58 0.964 4.958 -2.689 1.00 0.00 N ATOM 938 CA ARG A 58 1.094 6.111 -1.806 1.00 0.00 C ATOM 939 C ARG A 58 2.525 6.641 -1.812 1.00 0.00 C ATOM 940 O ARG A 58 2.750 7.846 -1.925 1.00 0.00 O ATOM 941 CB ARG A 58 0.684 5.737 -0.381 1.00 0.00 C ATOM 942 CG ARG A 58 1.193 6.706 0.674 1.00 0.00 C ATOM 943 CD ARG A 58 0.442 8.028 0.624 1.00 0.00 C ATOM 944 NE ARG A 58 0.871 8.941 1.680 1.00 0.00 N ATOM 945 CZ ARG A 58 0.193 10.028 2.032 1.00 0.00 C ATOM 946 NH1 ARG A 58 -0.940 10.334 1.416 1.00 0.00 N ATOM 947 NH2 ARG A 58 0.648 10.810 3.003 1.00 0.00 N ATOM 0 H ARG A 58 0.987 4.057 -2.212 1.00 0.00 H new ATOM 0 HA ARG A 58 0.432 6.895 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.404 5.691 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.057 4.738 -0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.082 6.260 1.663 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.257 6.885 0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.599 8.498 -0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.628 7.841 0.719 1.00 0.00 H new ATOM 0 HE ARG A 58 1.739 8.733 2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.293 9.734 0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.459 11.169 1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.519 10.577 3.480 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.127 11.644 3.272 1.00 0.00 H new