USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 396 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 30 SER OG : rot 180:sc= -0.307! USER MOD Set 1.2: A 31 ASN : amide:sc= -3.13! C(o=-3.4!,f=-4!) USER MOD Single : A 18 ASN : amide:sc= -0.367 K(o=-0.37,f=-7.1!) USER MOD Single : A 21 ASN : amide:sc= -0.366 K(o=-0.37,f=-1.5) USER MOD Single : A 24 GLN : amide:sc= -0.0774 X(o=-0.077,f=-0.21) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -85:sc= 0.183 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -10:sc= -4.28! USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 201 N ASP A 13 -2.213 -4.139 -5.970 1.00 0.00 N ATOM 202 CA ASP A 13 -2.578 -2.697 -6.040 1.00 0.00 C ATOM 203 C ASP A 13 -1.329 -1.856 -6.283 1.00 0.00 C ATOM 204 O ASP A 13 -0.288 -2.092 -5.704 1.00 0.00 O ATOM 205 CB ASP A 13 -3.185 -2.375 -4.674 1.00 0.00 C ATOM 206 CG ASP A 13 -4.089 -1.147 -4.794 1.00 0.00 C ATOM 207 OD1 ASP A 13 -4.219 -0.636 -5.894 1.00 0.00 O ATOM 208 OD2 ASP A 13 -4.636 -0.737 -3.783 1.00 0.00 O ATOM 0 HA ASP A 13 -3.272 -2.482 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.758 -3.227 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.394 -2.188 -3.948 1.00 0.00 H new ATOM 213 N ARG A 14 -1.419 -0.885 -7.142 1.00 0.00 N ATOM 214 CA ARG A 14 -0.232 -0.040 -7.429 1.00 0.00 C ATOM 215 C ARG A 14 0.358 0.509 -6.127 1.00 0.00 C ATOM 216 O ARG A 14 1.543 0.763 -6.030 1.00 0.00 O ATOM 217 CB ARG A 14 -0.760 1.099 -8.299 1.00 0.00 C ATOM 218 CG ARG A 14 -1.262 0.535 -9.630 1.00 0.00 C ATOM 219 CD ARG A 14 -0.214 -0.418 -10.209 1.00 0.00 C ATOM 220 NE ARG A 14 -0.225 -0.156 -11.674 1.00 0.00 N ATOM 221 CZ ARG A 14 -0.100 -1.144 -12.514 1.00 0.00 C ATOM 222 NH1 ARG A 14 -0.857 -2.201 -12.394 1.00 0.00 N ATOM 223 NH2 ARG A 14 0.780 -1.078 -13.475 1.00 0.00 N ATOM 0 H ARG A 14 -2.264 -0.639 -7.658 1.00 0.00 H new ATOM 0 HA ARG A 14 0.562 -0.599 -7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.568 1.619 -7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.028 1.831 -8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.205 0.009 -9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.457 1.347 -10.331 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.771 -0.229 -9.781 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.462 -1.457 -9.992 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.330 0.798 -12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.545 -2.253 -11.643 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.760 -2.975 -13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.371 -0.252 -13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.877 -1.852 -14.132 1.00 0.00 H new ATOM 237 N ILE A 15 -0.459 0.697 -5.128 1.00 0.00 N ATOM 238 CA ILE A 15 0.055 1.236 -3.837 1.00 0.00 C ATOM 239 C ILE A 15 0.709 0.127 -3.013 1.00 0.00 C ATOM 240 O ILE A 15 1.621 0.366 -2.248 1.00 0.00 O ATOM 241 CB ILE A 15 -1.175 1.781 -3.119 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.991 2.644 -4.089 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.732 2.631 -1.930 1.00 0.00 C ATOM 244 CD1 ILE A 15 -1.050 3.558 -4.878 1.00 0.00 C ATOM 0 H ILE A 15 -1.460 0.501 -5.149 1.00 0.00 H new ATOM 0 HA ILE A 15 0.815 2.003 -3.988 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.789 0.952 -2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.554 2.008 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.717 3.241 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.610 3.022 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.150 2.018 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.120 3.460 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.631 4.171 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.507 4.204 -4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.341 2.951 -5.442 1.00 0.00 H new ATOM 256 N ASP A 16 0.255 -1.084 -3.161 1.00 0.00 N ATOM 257 CA ASP A 16 0.861 -2.200 -2.381 1.00 0.00 C ATOM 258 C ASP A 16 2.137 -2.693 -3.069 1.00 0.00 C ATOM 259 O ASP A 16 3.106 -3.041 -2.423 1.00 0.00 O ATOM 260 CB ASP A 16 -0.202 -3.300 -2.371 1.00 0.00 C ATOM 261 CG ASP A 16 -1.324 -2.917 -1.405 1.00 0.00 C ATOM 262 OD1 ASP A 16 -1.555 -1.734 -1.237 1.00 0.00 O ATOM 263 OD2 ASP A 16 -1.932 -3.816 -0.851 1.00 0.00 O ATOM 0 H ASP A 16 -0.506 -1.351 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 16 1.141 -1.895 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.604 -3.441 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.244 -4.248 -2.070 1.00 0.00 H new ATOM 268 N ARG A 17 2.151 -2.718 -4.375 1.00 0.00 N ATOM 269 CA ARG A 17 3.373 -3.181 -5.093 1.00 0.00 C ATOM 270 C ARG A 17 4.483 -2.150 -4.946 1.00 0.00 C ATOM 271 O ARG A 17 5.619 -2.478 -4.667 1.00 0.00 O ATOM 272 CB ARG A 17 2.949 -3.326 -6.559 1.00 0.00 C ATOM 273 CG ARG A 17 2.965 -1.957 -7.244 1.00 0.00 C ATOM 274 CD ARG A 17 2.598 -2.122 -8.719 1.00 0.00 C ATOM 275 NE ARG A 17 3.442 -1.127 -9.437 1.00 0.00 N ATOM 276 CZ ARG A 17 3.981 -1.435 -10.586 1.00 0.00 C ATOM 277 NH1 ARG A 17 3.255 -1.990 -11.518 1.00 0.00 N ATOM 278 NH2 ARG A 17 5.244 -1.186 -10.803 1.00 0.00 N ATOM 0 H ARG A 17 1.373 -2.439 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 17 3.759 -4.120 -4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.623 -4.009 -7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.951 -3.760 -6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.259 -1.285 -6.755 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.952 -1.504 -7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.801 -3.135 -9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.537 -1.934 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 17 3.599 -0.205 -9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.268 -2.183 -11.349 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.675 -2.231 -12.416 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.810 -0.751 -10.075 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.664 -1.427 -11.701 1.00 0.00 H new ATOM 292 N ASN A 18 4.159 -0.906 -5.105 1.00 0.00 N ATOM 293 CA ASN A 18 5.189 0.152 -4.944 1.00 0.00 C ATOM 294 C ASN A 18 5.616 0.219 -3.486 1.00 0.00 C ATOM 295 O ASN A 18 6.772 0.425 -3.173 1.00 0.00 O ATOM 296 CB ASN A 18 4.502 1.449 -5.367 1.00 0.00 C ATOM 297 CG ASN A 18 4.475 1.540 -6.894 1.00 0.00 C ATOM 298 OD1 ASN A 18 4.753 0.574 -7.576 1.00 0.00 O ATOM 299 ND2 ASN A 18 4.149 2.668 -7.461 1.00 0.00 N ATOM 0 H ASN A 18 3.224 -0.572 -5.340 1.00 0.00 H new ATOM 0 HA ASN A 18 6.083 -0.036 -5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.486 1.480 -4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.032 2.306 -4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.127 2.740 -8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.916 3.478 -6.887 1.00 0.00 H new ATOM 306 N ILE A 19 4.695 0.014 -2.585 1.00 0.00 N ATOM 307 CA ILE A 19 5.056 0.028 -1.149 1.00 0.00 C ATOM 308 C ILE A 19 5.921 -1.189 -0.837 1.00 0.00 C ATOM 309 O ILE A 19 6.869 -1.113 -0.080 1.00 0.00 O ATOM 310 CB ILE A 19 3.728 -0.047 -0.397 1.00 0.00 C ATOM 311 CG1 ILE A 19 3.074 1.336 -0.379 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.982 -0.506 1.039 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.686 1.232 0.253 1.00 0.00 C ATOM 0 H ILE A 19 3.711 -0.162 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 19 5.622 0.916 -0.866 1.00 0.00 H new ATOM 0 HB ILE A 19 3.068 -0.756 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.691 2.035 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.996 1.727 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.035 -0.560 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.450 -1.490 1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.642 0.205 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.218 2.216 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.071 0.546 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.778 0.859 1.273 1.00 0.00 H new ATOM 325 N LEU A 20 5.621 -2.309 -1.441 1.00 0.00 N ATOM 326 CA LEU A 20 6.450 -3.517 -1.205 1.00 0.00 C ATOM 327 C LEU A 20 7.851 -3.282 -1.761 1.00 0.00 C ATOM 328 O LEU A 20 8.838 -3.689 -1.180 1.00 0.00 O ATOM 329 CB LEU A 20 5.747 -4.641 -1.969 1.00 0.00 C ATOM 330 CG LEU A 20 4.749 -5.342 -1.046 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.962 -6.382 -1.846 1.00 0.00 C ATOM 332 CD2 LEU A 20 5.503 -6.038 0.089 1.00 0.00 C ATOM 0 H LEU A 20 4.840 -2.435 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 20 6.553 -3.759 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.230 -4.235 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.481 -5.357 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 20 4.062 -4.606 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.250 -6.883 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.424 -5.888 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.650 -7.117 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.791 -6.537 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.190 -6.774 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.066 -5.299 0.659 1.00 0.00 H new ATOM 344 N ASN A 21 7.948 -2.595 -2.872 1.00 0.00 N ATOM 345 CA ASN A 21 9.288 -2.301 -3.443 1.00 0.00 C ATOM 346 C ASN A 21 10.029 -1.342 -2.516 1.00 0.00 C ATOM 347 O ASN A 21 11.228 -1.431 -2.340 1.00 0.00 O ATOM 348 CB ASN A 21 9.014 -1.638 -4.795 1.00 0.00 C ATOM 349 CG ASN A 21 10.277 -0.921 -5.275 1.00 0.00 C ATOM 350 OD1 ASN A 21 11.378 -1.366 -5.017 1.00 0.00 O ATOM 351 ND2 ASN A 21 10.165 0.180 -5.967 1.00 0.00 N ATOM 0 H ASN A 21 7.158 -2.228 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 21 9.903 -3.194 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.709 -2.388 -5.525 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.192 -0.928 -4.704 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.001 0.666 -6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.241 0.554 -6.184 1.00 0.00 H new ATOM 358 N GLU A 22 9.316 -0.434 -1.905 1.00 0.00 N ATOM 359 CA GLU A 22 9.968 0.518 -0.969 1.00 0.00 C ATOM 360 C GLU A 22 10.349 -0.204 0.318 1.00 0.00 C ATOM 361 O GLU A 22 11.413 0.005 0.866 1.00 0.00 O ATOM 362 CB GLU A 22 8.915 1.591 -0.693 1.00 0.00 C ATOM 363 CG GLU A 22 9.020 2.694 -1.747 1.00 0.00 C ATOM 364 CD GLU A 22 7.618 3.185 -2.113 1.00 0.00 C ATOM 365 OE1 GLU A 22 6.663 2.612 -1.616 1.00 0.00 O ATOM 366 OE2 GLU A 22 7.524 4.126 -2.883 1.00 0.00 O ATOM 0 H GLU A 22 8.309 -0.313 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 22 10.882 0.947 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.918 1.150 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.060 2.010 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.618 3.521 -1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.528 2.317 -2.634 1.00 0.00 H new ATOM 373 N LEU A 23 9.501 -1.074 0.796 1.00 0.00 N ATOM 374 CA LEU A 23 9.838 -1.823 2.032 1.00 0.00 C ATOM 375 C LEU A 23 11.010 -2.756 1.752 1.00 0.00 C ATOM 376 O LEU A 23 11.891 -2.928 2.571 1.00 0.00 O ATOM 377 CB LEU A 23 8.579 -2.616 2.373 1.00 0.00 C ATOM 378 CG LEU A 23 7.571 -1.690 3.053 1.00 0.00 C ATOM 379 CD1 LEU A 23 6.225 -2.406 3.185 1.00 0.00 C ATOM 380 CD2 LEU A 23 8.088 -1.310 4.443 1.00 0.00 C ATOM 0 H LEU A 23 8.595 -1.295 0.384 1.00 0.00 H new ATOM 0 HA LEU A 23 10.132 -1.172 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.147 -3.042 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.827 -3.449 3.030 1.00 0.00 H new ATOM 0 HG LEU A 23 7.443 -0.789 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.507 -1.745 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.858 -2.676 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.350 -3.308 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.371 -0.649 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.216 -2.211 5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.046 -0.798 4.348 1.00 0.00 H new ATOM 392 N GLN A 24 11.049 -3.330 0.581 1.00 0.00 N ATOM 393 CA GLN A 24 12.188 -4.218 0.228 1.00 0.00 C ATOM 394 C GLN A 24 13.478 -3.400 0.213 1.00 0.00 C ATOM 395 O GLN A 24 14.510 -3.837 0.686 1.00 0.00 O ATOM 396 CB GLN A 24 11.862 -4.741 -1.173 1.00 0.00 C ATOM 397 CG GLN A 24 13.051 -5.540 -1.710 1.00 0.00 C ATOM 398 CD GLN A 24 13.203 -6.831 -0.906 1.00 0.00 C ATOM 399 OE1 GLN A 24 12.265 -7.593 -0.772 1.00 0.00 O ATOM 400 NE2 GLN A 24 14.354 -7.113 -0.361 1.00 0.00 N ATOM 0 H GLN A 24 10.341 -3.221 -0.145 1.00 0.00 H new ATOM 0 HA GLN A 24 12.327 -5.034 0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.973 -5.370 -1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.639 -3.909 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.901 -5.771 -2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.963 -4.946 -1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.141 -6.474 -0.473 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.467 -7.972 0.177 1.00 0.00 H new ATOM 409 N LYS A 25 13.422 -2.202 -0.308 1.00 0.00 N ATOM 410 CA LYS A 25 14.636 -1.340 -0.333 1.00 0.00 C ATOM 411 C LYS A 25 14.854 -0.712 1.043 1.00 0.00 C ATOM 412 O LYS A 25 15.960 -0.372 1.414 1.00 0.00 O ATOM 413 CB LYS A 25 14.337 -0.268 -1.396 1.00 0.00 C ATOM 414 CG LYS A 25 14.356 1.127 -0.761 1.00 0.00 C ATOM 415 CD LYS A 25 14.162 2.183 -1.850 1.00 0.00 C ATOM 416 CE LYS A 25 12.934 3.038 -1.524 1.00 0.00 C ATOM 417 NZ LYS A 25 13.466 4.415 -1.334 1.00 0.00 N ATOM 0 H LYS A 25 12.586 -1.785 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 25 15.544 -1.894 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.076 -0.322 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.364 -0.456 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.566 1.210 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.302 1.291 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.048 2.814 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.035 1.701 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.203 3.005 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.431 2.681 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.683 5.061 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.154 4.417 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.933 4.730 -2.208 1.00 0.00 H new ATOM 431 N ASP A 26 13.810 -0.568 1.806 1.00 0.00 N ATOM 432 CA ASP A 26 13.959 0.023 3.159 1.00 0.00 C ATOM 433 C ASP A 26 13.222 -0.835 4.194 1.00 0.00 C ATOM 434 O ASP A 26 12.029 -0.705 4.384 1.00 0.00 O ATOM 435 CB ASP A 26 13.322 1.411 3.061 1.00 0.00 C ATOM 436 CG ASP A 26 14.320 2.466 3.542 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.424 2.490 3.021 1.00 0.00 O ATOM 438 OD2 ASP A 26 13.964 3.232 4.422 1.00 0.00 O ATOM 0 H ASP A 26 12.859 -0.835 1.550 1.00 0.00 H new ATOM 0 HA ASP A 26 15.001 0.076 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.028 1.616 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.416 1.450 3.665 1.00 0.00 H new ATOM 443 N GLY A 27 13.922 -1.712 4.860 1.00 0.00 N ATOM 444 CA GLY A 27 13.260 -2.581 5.875 1.00 0.00 C ATOM 445 C GLY A 27 13.223 -1.860 7.225 1.00 0.00 C ATOM 446 O GLY A 27 13.421 -2.459 8.264 1.00 0.00 O ATOM 0 H GLY A 27 14.924 -1.865 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.247 -2.825 5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.800 -3.523 5.969 1.00 0.00 H new ATOM 450 N ARG A 28 12.970 -0.581 7.218 1.00 0.00 N ATOM 451 CA ARG A 28 12.918 0.177 8.503 1.00 0.00 C ATOM 452 C ARG A 28 12.015 1.402 8.352 1.00 0.00 C ATOM 453 O ARG A 28 12.116 2.355 9.096 1.00 0.00 O ATOM 454 CB ARG A 28 14.360 0.607 8.766 1.00 0.00 C ATOM 455 CG ARG A 28 14.815 1.564 7.664 1.00 0.00 C ATOM 456 CD ARG A 28 15.507 0.771 6.555 1.00 0.00 C ATOM 457 NE ARG A 28 16.938 0.716 6.962 1.00 0.00 N ATOM 458 CZ ARG A 28 17.835 0.250 6.137 1.00 0.00 C ATOM 459 NH1 ARG A 28 17.752 0.520 4.863 1.00 0.00 N ATOM 460 NH2 ARG A 28 18.813 -0.487 6.586 1.00 0.00 N ATOM 0 H ARG A 28 12.797 -0.027 6.380 1.00 0.00 H new ATOM 0 HA ARG A 28 12.515 -0.420 9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.434 1.094 9.739 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.012 -0.266 8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.959 2.104 7.260 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.497 2.309 8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.084 -0.229 6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.390 1.259 5.587 1.00 0.00 H new ATOM 0 HE ARG A 28 17.218 1.043 7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.986 1.095 4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.453 0.156 4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.876 -0.699 7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.514 -0.852 5.941 1.00 0.00 H new ATOM 474 N ILE A 29 11.139 1.383 7.389 1.00 0.00 N ATOM 475 CA ILE A 29 10.234 2.546 7.182 1.00 0.00 C ATOM 476 C ILE A 29 8.848 2.247 7.746 1.00 0.00 C ATOM 477 O ILE A 29 8.342 1.148 7.625 1.00 0.00 O ATOM 478 CB ILE A 29 10.173 2.727 5.666 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.177 3.834 5.321 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.727 1.417 5.014 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.028 3.930 3.801 1.00 0.00 C ATOM 0 H ILE A 29 11.010 0.611 6.735 1.00 0.00 H new ATOM 0 HA ILE A 29 10.589 3.444 7.687 1.00 0.00 H new ATOM 0 HB ILE A 29 11.160 3.001 5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.211 3.624 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.521 4.786 5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.683 1.545 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.439 0.629 5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.740 1.142 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.318 4.719 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 29 9.995 4.160 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.664 2.980 3.410 1.00 0.00 H new ATOM 493 N SER A 30 8.233 3.212 8.368 1.00 0.00 N ATOM 494 CA SER A 30 6.883 2.981 8.947 1.00 0.00 C ATOM 495 C SER A 30 5.803 3.192 7.875 1.00 0.00 C ATOM 496 O SER A 30 5.793 2.530 6.857 1.00 0.00 O ATOM 497 CB SER A 30 6.751 4.016 10.061 1.00 0.00 C ATOM 498 OG SER A 30 5.396 4.084 10.485 1.00 0.00 O ATOM 0 H SER A 30 8.608 4.151 8.500 1.00 0.00 H new ATOM 0 HA SER A 30 6.759 1.965 9.321 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.393 3.747 10.900 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.082 4.992 9.706 1.00 0.00 H new ATOM 0 HG SER A 30 5.310 4.748 11.201 1.00 0.00 H new ATOM 504 N ASN A 31 4.897 4.112 8.092 1.00 0.00 N ATOM 505 CA ASN A 31 3.830 4.359 7.079 1.00 0.00 C ATOM 506 C ASN A 31 3.881 5.807 6.593 1.00 0.00 C ATOM 507 O ASN A 31 3.832 6.071 5.412 1.00 0.00 O ATOM 508 CB ASN A 31 2.514 4.081 7.809 1.00 0.00 C ATOM 509 CG ASN A 31 2.361 5.055 8.977 1.00 0.00 C ATOM 510 OD1 ASN A 31 1.761 6.102 8.836 1.00 0.00 O ATOM 511 ND2 ASN A 31 2.880 4.752 10.135 1.00 0.00 N ATOM 0 H ASN A 31 4.851 4.700 8.924 1.00 0.00 H new ATOM 0 HA ASN A 31 3.947 3.728 6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.675 4.187 7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.499 3.054 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.782 5.394 10.922 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.384 3.873 10.254 1.00 0.00 H new ATOM 518 N VAL A 32 3.991 6.751 7.488 1.00 0.00 N ATOM 519 CA VAL A 32 4.061 8.172 7.046 1.00 0.00 C ATOM 520 C VAL A 32 5.031 8.288 5.876 1.00 0.00 C ATOM 521 O VAL A 32 4.657 8.649 4.776 1.00 0.00 O ATOM 522 CB VAL A 32 4.578 8.947 8.259 1.00 0.00 C ATOM 523 CG1 VAL A 32 4.479 10.449 7.983 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.733 8.599 9.486 1.00 0.00 C ATOM 0 H VAL A 32 4.035 6.602 8.496 1.00 0.00 H new ATOM 0 HA VAL A 32 3.098 8.557 6.711 1.00 0.00 H new ATOM 0 HB VAL A 32 5.618 8.678 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.847 11.003 8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.080 10.699 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.439 10.717 7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.102 9.151 10.350 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.693 8.868 9.300 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.801 7.529 9.683 1.00 0.00 H new ATOM 534 N GLU A 33 6.271 7.943 6.089 1.00 0.00 N ATOM 535 CA GLU A 33 7.249 7.987 4.977 1.00 0.00 C ATOM 536 C GLU A 33 6.807 7.013 3.888 1.00 0.00 C ATOM 537 O GLU A 33 7.041 7.224 2.715 1.00 0.00 O ATOM 538 CB GLU A 33 8.574 7.538 5.594 1.00 0.00 C ATOM 539 CG GLU A 33 9.734 8.016 4.719 1.00 0.00 C ATOM 540 CD GLU A 33 10.878 8.503 5.610 1.00 0.00 C ATOM 541 OE1 GLU A 33 11.062 7.928 6.671 1.00 0.00 O ATOM 542 OE2 GLU A 33 11.550 9.442 5.218 1.00 0.00 O ATOM 0 H GLU A 33 6.645 7.633 6.986 1.00 0.00 H new ATOM 0 HA GLU A 33 7.334 8.975 4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.674 7.943 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.596 6.452 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.078 7.204 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.401 8.821 4.064 1.00 0.00 H new ATOM 549 N LEU A 34 6.145 5.955 4.274 1.00 0.00 N ATOM 550 CA LEU A 34 5.661 4.972 3.277 1.00 0.00 C ATOM 551 C LEU A 34 4.453 5.534 2.531 1.00 0.00 C ATOM 552 O LEU A 34 4.062 5.034 1.499 1.00 0.00 O ATOM 553 CB LEU A 34 5.255 3.752 4.089 1.00 0.00 C ATOM 554 CG LEU A 34 5.173 2.544 3.168 1.00 0.00 C ATOM 555 CD1 LEU A 34 6.560 1.918 3.021 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.208 1.517 3.757 1.00 0.00 C ATOM 0 H LEU A 34 5.920 5.733 5.244 1.00 0.00 H new ATOM 0 HA LEU A 34 6.420 4.734 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.980 3.571 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.292 3.924 4.570 1.00 0.00 H new ATOM 0 HG LEU A 34 4.813 2.859 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.500 1.053 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.247 2.651 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.923 1.604 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.150 0.652 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.566 1.202 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.219 1.963 3.858 1.00 0.00 H new ATOM 568 N SER A 35 3.850 6.560 3.059 1.00 0.00 N ATOM 569 CA SER A 35 2.659 7.154 2.393 1.00 0.00 C ATOM 570 C SER A 35 3.095 8.149 1.316 1.00 0.00 C ATOM 571 O SER A 35 2.496 8.243 0.264 1.00 0.00 O ATOM 572 CB SER A 35 1.909 7.870 3.507 1.00 0.00 C ATOM 573 OG SER A 35 2.482 9.155 3.712 1.00 0.00 O ATOM 0 H SER A 35 4.132 7.015 3.927 1.00 0.00 H new ATOM 0 HA SER A 35 2.043 6.403 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.855 7.967 3.247 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.958 7.287 4.427 1.00 0.00 H new ATOM 0 HG SER A 35 3.241 9.080 4.327 1.00 0.00 H new ATOM 579 N LYS A 36 4.135 8.896 1.574 1.00 0.00 N ATOM 580 CA LYS A 36 4.608 9.891 0.568 1.00 0.00 C ATOM 581 C LYS A 36 5.582 9.235 -0.417 1.00 0.00 C ATOM 582 O LYS A 36 5.842 9.755 -1.484 1.00 0.00 O ATOM 583 CB LYS A 36 5.325 10.967 1.385 1.00 0.00 C ATOM 584 CG LYS A 36 4.401 11.467 2.499 1.00 0.00 C ATOM 585 CD LYS A 36 5.104 12.573 3.288 1.00 0.00 C ATOM 586 CE LYS A 36 5.201 12.169 4.761 1.00 0.00 C ATOM 587 NZ LYS A 36 4.429 13.210 5.495 1.00 0.00 N ATOM 0 H LYS A 36 4.677 8.860 2.437 1.00 0.00 H new ATOM 0 HA LYS A 36 3.787 10.299 -0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.242 10.562 1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.614 11.796 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.471 11.844 2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.136 10.644 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.100 12.747 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.553 13.509 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.782 11.176 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.238 12.137 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.448 13.003 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.855 14.143 5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.444 13.212 5.161 1.00 0.00 H new ATOM 601 N ARG A 37 6.128 8.102 -0.067 1.00 0.00 N ATOM 602 CA ARG A 37 7.093 7.423 -0.985 1.00 0.00 C ATOM 603 C ARG A 37 6.355 6.768 -2.145 1.00 0.00 C ATOM 604 O ARG A 37 6.931 6.461 -3.170 1.00 0.00 O ATOM 605 CB ARG A 37 7.781 6.365 -0.125 1.00 0.00 C ATOM 606 CG ARG A 37 8.943 7.002 0.633 1.00 0.00 C ATOM 607 CD ARG A 37 10.253 6.343 0.199 1.00 0.00 C ATOM 608 NE ARG A 37 11.322 7.145 0.859 1.00 0.00 N ATOM 609 CZ ARG A 37 11.476 8.405 0.556 1.00 0.00 C ATOM 610 NH1 ARG A 37 10.817 8.922 -0.446 1.00 0.00 N ATOM 611 NH2 ARG A 37 12.291 9.150 1.252 1.00 0.00 N ATOM 0 H ARG A 37 5.950 7.617 0.812 1.00 0.00 H new ATOM 0 HA ARG A 37 7.805 8.124 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.068 5.932 0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.145 5.551 -0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.978 8.073 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.801 6.882 1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.293 5.299 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.362 6.356 -0.885 1.00 0.00 H new ATOM 0 HE ARG A 37 11.934 6.708 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.181 8.341 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.938 9.907 -0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.808 8.747 2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.411 10.135 1.014 1.00 0.00 H new ATOM 625 N VAL A 38 5.087 6.569 -2.000 1.00 0.00 N ATOM 626 CA VAL A 38 4.299 5.947 -3.105 1.00 0.00 C ATOM 627 C VAL A 38 3.343 6.978 -3.700 1.00 0.00 C ATOM 628 O VAL A 38 2.778 6.781 -4.758 1.00 0.00 O ATOM 629 CB VAL A 38 3.530 4.785 -2.466 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.399 3.527 -2.496 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.181 5.124 -1.017 1.00 0.00 C ATOM 0 H VAL A 38 4.552 6.808 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 38 4.934 5.594 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 38 2.610 4.613 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.855 2.698 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.644 3.278 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.318 3.706 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.635 4.293 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.097 5.300 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.562 6.021 -0.992 1.00 0.00 H new ATOM 641 N GLY A 39 3.190 8.091 -3.047 1.00 0.00 N ATOM 642 CA GLY A 39 2.307 9.161 -3.587 1.00 0.00 C ATOM 643 C GLY A 39 0.885 9.020 -3.027 1.00 0.00 C ATOM 644 O GLY A 39 -0.087 9.208 -3.731 1.00 0.00 O ATOM 0 H GLY A 39 3.640 8.309 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.711 10.139 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.283 9.105 -4.675 1.00 0.00 H new ATOM 648 N LEU A 40 0.752 8.719 -1.763 1.00 0.00 N ATOM 649 CA LEU A 40 -0.617 8.601 -1.165 1.00 0.00 C ATOM 650 C LEU A 40 -0.598 9.026 0.294 1.00 0.00 C ATOM 651 O LEU A 40 0.446 9.157 0.902 1.00 0.00 O ATOM 652 CB LEU A 40 -0.993 7.119 -1.258 1.00 0.00 C ATOM 653 CG LEU A 40 0.234 6.255 -0.986 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.105 5.198 0.072 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.658 5.561 -2.278 1.00 0.00 C ATOM 0 H LEU A 40 1.525 8.550 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.329 9.239 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.778 6.888 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.393 6.897 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 40 1.047 6.883 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.773 4.582 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.412 5.692 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.918 4.568 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.535 4.942 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.157 4.934 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.899 6.311 -3.031 1.00 0.00 H new ATOM 667 N SER A 41 -1.748 9.194 0.878 1.00 0.00 N ATOM 668 CA SER A 41 -1.798 9.553 2.316 1.00 0.00 C ATOM 669 C SER A 41 -1.417 8.343 3.135 1.00 0.00 C ATOM 670 O SER A 41 -1.549 7.224 2.686 1.00 0.00 O ATOM 671 CB SER A 41 -3.245 9.943 2.587 1.00 0.00 C ATOM 672 OG SER A 41 -3.439 11.308 2.245 1.00 0.00 O ATOM 0 H SER A 41 -2.655 9.098 0.421 1.00 0.00 H new ATOM 0 HA SER A 41 -1.115 10.363 2.572 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.918 9.312 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.486 9.782 3.638 1.00 0.00 H new ATOM 0 HG SER A 41 -4.370 11.559 2.417 1.00 0.00 H new ATOM 678 N PRO A 42 -0.931 8.598 4.300 1.00 0.00 N ATOM 679 CA PRO A 42 -0.497 7.506 5.168 1.00 0.00 C ATOM 680 C PRO A 42 -1.701 6.747 5.726 1.00 0.00 C ATOM 681 O PRO A 42 -1.755 5.536 5.669 1.00 0.00 O ATOM 682 CB PRO A 42 0.278 8.206 6.271 1.00 0.00 C ATOM 683 CG PRO A 42 -0.273 9.599 6.308 1.00 0.00 C ATOM 684 CD PRO A 42 -0.744 9.916 4.911 1.00 0.00 C ATOM 0 HA PRO A 42 0.104 6.761 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.143 7.703 7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.347 8.210 6.061 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.096 9.671 7.019 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.490 10.308 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.672 10.488 4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.010 10.510 4.366 1.00 0.00 H new ATOM 692 N THR A 43 -2.678 7.442 6.247 1.00 0.00 N ATOM 693 CA THR A 43 -3.876 6.736 6.784 1.00 0.00 C ATOM 694 C THR A 43 -4.250 5.578 5.848 1.00 0.00 C ATOM 695 O THR A 43 -4.336 4.441 6.272 1.00 0.00 O ATOM 696 CB THR A 43 -4.985 7.800 6.823 1.00 0.00 C ATOM 697 OG1 THR A 43 -4.988 8.428 8.098 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.347 7.145 6.576 1.00 0.00 C ATOM 0 H THR A 43 -2.698 8.459 6.323 1.00 0.00 H new ATOM 0 HA THR A 43 -3.707 6.306 7.771 1.00 0.00 H new ATOM 0 HB THR A 43 -4.799 8.541 6.046 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.693 9.108 8.126 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.127 7.906 6.605 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.347 6.663 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.538 6.400 7.348 1.00 0.00 H new ATOM 706 N PRO A 44 -4.427 5.906 4.594 1.00 0.00 N ATOM 707 CA PRO A 44 -4.752 4.879 3.586 1.00 0.00 C ATOM 708 C PRO A 44 -3.499 4.075 3.230 1.00 0.00 C ATOM 709 O PRO A 44 -3.549 2.869 3.092 1.00 0.00 O ATOM 710 CB PRO A 44 -5.232 5.684 2.387 1.00 0.00 C ATOM 711 CG PRO A 44 -4.587 7.030 2.536 1.00 0.00 C ATOM 712 CD PRO A 44 -4.352 7.250 4.016 1.00 0.00 C ATOM 0 HA PRO A 44 -5.495 4.160 3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.940 5.209 1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.319 5.767 2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.646 7.069 1.987 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.228 7.811 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.381 7.710 4.201 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.105 7.911 4.445 1.00 0.00 H new ATOM 720 N CYS A 45 -2.366 4.726 3.093 1.00 0.00 N ATOM 721 CA CYS A 45 -1.119 3.970 2.770 1.00 0.00 C ATOM 722 C CYS A 45 -1.115 2.677 3.561 1.00 0.00 C ATOM 723 O CYS A 45 -0.890 1.607 3.029 1.00 0.00 O ATOM 724 CB CYS A 45 0.030 4.872 3.217 1.00 0.00 C ATOM 725 SG CYS A 45 1.607 4.077 2.819 1.00 0.00 S ATOM 0 H CYS A 45 -2.254 5.735 3.190 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.037 3.720 1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.038 5.840 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.035 5.059 4.289 1.00 0.00 H new ATOM 0 HG CYS A 45 1.393 2.849 2.449 1.00 0.00 H new ATOM 731 N LEU A 46 -1.424 2.759 4.820 1.00 0.00 N ATOM 732 CA LEU A 46 -1.508 1.536 5.640 1.00 0.00 C ATOM 733 C LEU A 46 -2.621 0.662 5.089 1.00 0.00 C ATOM 734 O LEU A 46 -2.433 -0.503 4.817 1.00 0.00 O ATOM 735 CB LEU A 46 -1.846 2.031 7.040 1.00 0.00 C ATOM 736 CG LEU A 46 -0.689 2.883 7.554 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.173 4.310 7.814 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.147 2.281 8.851 1.00 0.00 C ATOM 0 H LEU A 46 -1.622 3.628 5.315 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.592 0.945 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.766 2.616 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.018 1.187 7.707 1.00 0.00 H new ATOM 0 HG LEU A 46 0.103 2.904 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.343 4.914 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.553 4.740 6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.968 4.294 8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.679 2.890 9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.939 2.256 9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.206 1.267 8.662 1.00 0.00 H new ATOM 750 N GLU A 47 -3.771 1.232 4.871 1.00 0.00 N ATOM 751 CA GLU A 47 -4.882 0.442 4.284 1.00 0.00 C ATOM 752 C GLU A 47 -4.347 -0.358 3.096 1.00 0.00 C ATOM 753 O GLU A 47 -4.652 -1.523 2.925 1.00 0.00 O ATOM 754 CB GLU A 47 -5.910 1.474 3.820 1.00 0.00 C ATOM 755 CG GLU A 47 -7.055 1.544 4.832 1.00 0.00 C ATOM 756 CD GLU A 47 -8.172 0.589 4.406 1.00 0.00 C ATOM 757 OE1 GLU A 47 -8.001 -0.080 3.400 1.00 0.00 O ATOM 758 OE2 GLU A 47 -9.179 0.542 5.094 1.00 0.00 O ATOM 0 H GLU A 47 -3.988 2.208 5.074 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.321 -0.263 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.439 2.452 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.295 1.203 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.693 1.278 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.437 2.563 4.895 1.00 0.00 H new ATOM 765 N ARG A 48 -3.516 0.258 2.290 1.00 0.00 N ATOM 766 CA ARG A 48 -2.920 -0.465 1.131 1.00 0.00 C ATOM 767 C ARG A 48 -1.968 -1.548 1.643 1.00 0.00 C ATOM 768 O ARG A 48 -2.125 -2.725 1.360 1.00 0.00 O ATOM 769 CB ARG A 48 -2.148 0.607 0.350 1.00 0.00 C ATOM 770 CG ARG A 48 -3.052 1.820 0.112 1.00 0.00 C ATOM 771 CD ARG A 48 -3.666 1.732 -1.284 1.00 0.00 C ATOM 772 NE ARG A 48 -5.050 2.256 -1.129 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.487 3.191 -1.927 1.00 0.00 C ATOM 774 NH1 ARG A 48 -5.176 3.162 -3.195 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.231 4.154 -1.459 1.00 0.00 N ATOM 0 H ARG A 48 -3.227 1.231 2.388 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.668 -0.956 0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.259 0.907 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.807 0.202 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.839 1.854 0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.477 2.741 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.098 2.323 -2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.671 0.705 -1.649 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.657 1.884 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.592 2.409 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.517 3.892 -3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.472 4.177 -0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.572 4.885 -2.084 1.00 0.00 H new ATOM 789 N VAL A 49 -0.999 -1.162 2.423 1.00 0.00 N ATOM 790 CA VAL A 49 -0.055 -2.158 2.987 1.00 0.00 C ATOM 791 C VAL A 49 -0.835 -3.232 3.746 1.00 0.00 C ATOM 792 O VAL A 49 -0.665 -4.413 3.523 1.00 0.00 O ATOM 793 CB VAL A 49 0.831 -1.353 3.943 1.00 0.00 C ATOM 794 CG1 VAL A 49 1.191 -2.207 5.159 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.111 -0.939 3.221 1.00 0.00 C ATOM 0 H VAL A 49 -0.821 -0.195 2.694 1.00 0.00 H new ATOM 0 HA VAL A 49 0.531 -2.668 2.223 1.00 0.00 H new ATOM 0 HB VAL A 49 0.290 -0.466 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.821 -1.630 5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.279 -2.505 5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.729 -3.097 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.743 -0.366 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.647 -1.829 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.859 -0.326 2.356 1.00 0.00 H new ATOM 805 N ARG A 50 -1.698 -2.826 4.638 1.00 0.00 N ATOM 806 CA ARG A 50 -2.501 -3.817 5.403 1.00 0.00 C ATOM 807 C ARG A 50 -2.953 -4.930 4.469 1.00 0.00 C ATOM 808 O ARG A 50 -2.758 -6.101 4.737 1.00 0.00 O ATOM 809 CB ARG A 50 -3.700 -3.032 5.936 1.00 0.00 C ATOM 810 CG ARG A 50 -3.205 -1.880 6.815 1.00 0.00 C ATOM 811 CD ARG A 50 -3.267 -2.296 8.282 1.00 0.00 C ATOM 812 NE ARG A 50 -3.562 -1.039 9.023 1.00 0.00 N ATOM 813 CZ ARG A 50 -4.799 -0.663 9.205 1.00 0.00 C ATOM 814 NH1 ARG A 50 -5.532 -1.249 10.112 1.00 0.00 N ATOM 815 NH2 ARG A 50 -5.301 0.297 8.478 1.00 0.00 N ATOM 0 H ARG A 50 -1.880 -1.849 4.869 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.939 -4.283 6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.291 -2.643 5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.352 -3.689 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.183 -1.615 6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.818 -0.994 6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.042 -3.044 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.324 -2.735 8.608 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.798 -0.471 9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.138 -2.000 10.678 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.498 -0.955 10.254 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.727 0.753 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.267 0.592 8.619 1.00 0.00 H new ATOM 829 N ARG A 51 -3.516 -4.574 3.356 1.00 0.00 N ATOM 830 CA ARG A 51 -3.937 -5.609 2.377 1.00 0.00 C ATOM 831 C ARG A 51 -2.770 -6.566 2.138 1.00 0.00 C ATOM 832 O ARG A 51 -2.929 -7.770 2.127 1.00 0.00 O ATOM 833 CB ARG A 51 -4.289 -4.830 1.100 1.00 0.00 C ATOM 834 CG ARG A 51 -3.686 -5.526 -0.126 1.00 0.00 C ATOM 835 CD ARG A 51 -4.319 -6.909 -0.296 1.00 0.00 C ATOM 836 NE ARG A 51 -5.259 -6.760 -1.442 1.00 0.00 N ATOM 837 CZ ARG A 51 -5.502 -7.775 -2.223 1.00 0.00 C ATOM 838 NH1 ARG A 51 -5.537 -8.983 -1.731 1.00 0.00 N ATOM 839 NH2 ARG A 51 -5.710 -7.584 -3.497 1.00 0.00 N ATOM 0 H ARG A 51 -3.704 -3.610 3.079 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.783 -6.206 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.372 -4.762 0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.911 -3.810 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.857 -4.925 -1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.607 -5.621 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.563 -7.667 -0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.844 -7.218 0.608 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.713 -5.863 -1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.374 -9.133 -0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.727 -9.777 -2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.682 -6.640 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.900 -8.379 -4.107 1.00 0.00 H new ATOM 853 N LEU A 52 -1.588 -6.032 1.972 1.00 0.00 N ATOM 854 CA LEU A 52 -0.400 -6.907 1.764 1.00 0.00 C ATOM 855 C LEU A 52 -0.109 -7.702 3.040 1.00 0.00 C ATOM 856 O LEU A 52 0.555 -8.720 3.013 1.00 0.00 O ATOM 857 CB LEU A 52 0.751 -5.948 1.462 1.00 0.00 C ATOM 858 CG LEU A 52 0.613 -5.419 0.035 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.723 -4.402 -0.240 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.730 -6.581 -0.953 1.00 0.00 C ATOM 0 H LEU A 52 -1.396 -5.030 1.972 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.551 -7.628 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.744 -5.120 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.706 -6.460 1.580 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.358 -4.939 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.626 -4.024 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.641 -3.574 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.694 -4.883 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.632 -6.204 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.701 -7.062 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.060 -7.306 -0.757 1.00 0.00 H new ATOM 872 N GLU A 53 -0.602 -7.243 4.158 1.00 0.00 N ATOM 873 CA GLU A 53 -0.358 -7.965 5.440 1.00 0.00 C ATOM 874 C GLU A 53 -1.144 -9.279 5.467 1.00 0.00 C ATOM 875 O GLU A 53 -0.576 -10.352 5.503 1.00 0.00 O ATOM 876 CB GLU A 53 -0.866 -7.017 6.527 1.00 0.00 C ATOM 877 CG GLU A 53 0.157 -6.942 7.662 1.00 0.00 C ATOM 878 CD GLU A 53 -0.405 -7.636 8.904 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.500 -7.282 9.313 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.268 -8.508 9.428 1.00 0.00 O ATOM 0 H GLU A 53 -1.165 -6.396 4.239 1.00 0.00 H new ATOM 0 HA GLU A 53 0.693 -8.221 5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.034 -6.024 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.824 -7.367 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.089 -7.418 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.389 -5.901 7.888 1.00 0.00 H new ATOM 887 N ARG A 54 -2.446 -9.201 5.453 1.00 0.00 N ATOM 888 CA ARG A 54 -3.269 -10.445 5.480 1.00 0.00 C ATOM 889 C ARG A 54 -2.725 -11.464 4.474 1.00 0.00 C ATOM 890 O ARG A 54 -2.930 -12.653 4.609 1.00 0.00 O ATOM 891 CB ARG A 54 -4.675 -9.996 5.080 1.00 0.00 C ATOM 892 CG ARG A 54 -5.108 -8.826 5.966 1.00 0.00 C ATOM 893 CD ARG A 54 -6.591 -8.970 6.314 1.00 0.00 C ATOM 894 NE ARG A 54 -7.314 -8.249 5.230 1.00 0.00 N ATOM 895 CZ ARG A 54 -8.618 -8.257 5.197 1.00 0.00 C ATOM 896 NH1 ARG A 54 -9.255 -9.331 4.817 1.00 0.00 N ATOM 897 NH2 ARG A 54 -9.286 -7.191 5.544 1.00 0.00 N ATOM 0 H ARG A 54 -2.976 -8.330 5.424 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.256 -10.927 6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.688 -9.697 4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.376 -10.824 5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.510 -8.806 6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.935 -7.882 5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.886 -10.018 6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.811 -8.538 7.290 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.789 -7.749 4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.733 -10.164 4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.275 -9.337 4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.788 -6.352 5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.306 -7.197 5.518 1.00 0.00 H new ATOM 911 N GLN A 55 -2.029 -11.006 3.468 1.00 0.00 N ATOM 912 CA GLN A 55 -1.471 -11.950 2.457 1.00 0.00 C ATOM 913 C GLN A 55 -0.114 -12.482 2.926 1.00 0.00 C ATOM 914 O GLN A 55 0.611 -13.106 2.177 1.00 0.00 O ATOM 915 CB GLN A 55 -1.309 -11.116 1.185 1.00 0.00 C ATOM 916 CG GLN A 55 -2.671 -10.947 0.507 1.00 0.00 C ATOM 917 CD GLN A 55 -2.945 -12.152 -0.395 1.00 0.00 C ATOM 918 OE1 GLN A 55 -2.460 -12.217 -1.506 1.00 0.00 O ATOM 919 NE2 GLN A 55 -3.712 -13.115 0.040 1.00 0.00 N ATOM 0 H GLN A 55 -1.823 -10.021 3.303 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.115 -12.815 2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.889 -10.140 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.610 -11.603 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.455 -10.857 1.259 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.685 -10.029 -0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.119 -13.060 0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.904 -13.922 -0.554 1.00 0.00 H new ATOM 928 N GLY A 56 0.233 -12.239 4.159 1.00 0.00 N ATOM 929 CA GLY A 56 1.541 -12.731 4.677 1.00 0.00 C ATOM 930 C GLY A 56 2.678 -12.139 3.842 1.00 0.00 C ATOM 931 O GLY A 56 3.509 -12.850 3.315 1.00 0.00 O ATOM 0 H GLY A 56 -0.333 -11.721 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.659 -12.448 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.574 -13.820 4.635 1.00 0.00 H new ATOM 935 N PHE A 57 2.723 -10.841 3.717 1.00 0.00 N ATOM 936 CA PHE A 57 3.810 -10.207 2.916 1.00 0.00 C ATOM 937 C PHE A 57 4.313 -8.940 3.611 1.00 0.00 C ATOM 938 O PHE A 57 5.074 -8.175 3.053 1.00 0.00 O ATOM 939 CB PHE A 57 3.164 -9.863 1.574 1.00 0.00 C ATOM 940 CG PHE A 57 2.975 -11.125 0.768 1.00 0.00 C ATOM 941 CD1 PHE A 57 3.988 -12.093 0.732 1.00 0.00 C ATOM 942 CD2 PHE A 57 1.788 -11.329 0.058 1.00 0.00 C ATOM 943 CE1 PHE A 57 3.811 -13.263 -0.015 1.00 0.00 C ATOM 944 CE2 PHE A 57 1.611 -12.500 -0.690 1.00 0.00 C ATOM 945 CZ PHE A 57 2.623 -13.467 -0.726 1.00 0.00 C ATOM 0 H PHE A 57 2.055 -10.192 4.134 1.00 0.00 H new ATOM 0 HA PHE A 57 4.671 -10.865 2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.203 -9.375 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.791 -9.159 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.905 -11.936 1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.007 -10.583 0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.592 -14.009 -0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.694 -12.657 -1.239 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.487 -14.370 -1.302 1.00 0.00 H new ATOM 955 N ILE A 58 3.898 -8.715 4.827 1.00 0.00 N ATOM 956 CA ILE A 58 4.358 -7.500 5.560 1.00 0.00 C ATOM 957 C ILE A 58 4.717 -7.855 7.000 1.00 0.00 C ATOM 958 O ILE A 58 4.621 -7.040 7.894 1.00 0.00 O ATOM 959 CB ILE A 58 3.178 -6.534 5.519 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.557 -6.543 4.119 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.673 -5.126 5.842 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.551 -5.953 3.115 1.00 0.00 C ATOM 0 H ILE A 58 3.260 -9.319 5.345 1.00 0.00 H new ATOM 0 HA ILE A 58 5.251 -7.064 5.112 1.00 0.00 H new ATOM 0 HB ILE A 58 2.429 -6.840 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.296 -7.562 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.634 -5.964 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.834 -4.430 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.120 -5.117 6.836 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.419 -4.825 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.109 -5.959 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.790 -4.928 3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.463 -6.551 3.111 1.00 0.00 H new