USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 537 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -4.93 K(o=-4.9,f=-5.7!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.045) USER MOD Single : A 42 MET CE :methyl -158:sc= -0.309 (180deg=-1.28) USER MOD Single : A 43 MET CE :methyl -165:sc= -1.95 (180deg=-2.29) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0844 K(o=-0.084,f=-1.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.771 K(o=-0.77,f=-3.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.361 -17.345 15.761 1.00 0.00 N ATOM 177 CA VAL A 15 -0.229 -15.908 15.971 1.00 0.00 C ATOM 178 C VAL A 15 0.304 -15.217 14.721 1.00 0.00 C ATOM 179 O VAL A 15 1.241 -15.686 14.073 1.00 0.00 O ATOM 180 CB VAL A 15 0.707 -15.598 17.154 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.067 -16.246 16.943 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.847 -14.094 17.342 1.00 0.00 C ATOM 0 HA VAL A 15 -1.225 -15.528 16.196 1.00 0.00 H new ATOM 0 HB VAL A 15 0.269 -16.016 18.061 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.715 -16.016 17.789 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.947 -17.326 16.861 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.515 -15.861 16.027 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.512 -13.893 18.182 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.262 -13.651 16.437 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.132 -13.660 17.542 1.00 0.00 H new ATOM 192 N PRO A 16 -0.306 -14.075 14.370 1.00 0.00 N ATOM 193 CA PRO A 16 0.090 -13.295 13.196 1.00 0.00 C ATOM 194 C PRO A 16 1.450 -12.628 13.375 1.00 0.00 C ATOM 195 O PRO A 16 2.108 -12.802 14.401 1.00 0.00 O ATOM 196 CB PRO A 16 -1.011 -12.239 13.083 1.00 0.00 C ATOM 197 CG PRO A 16 -1.544 -12.097 14.468 1.00 0.00 C ATOM 198 CD PRO A 16 -1.430 -13.459 15.095 1.00 0.00 C ATOM 0 HA PRO A 16 0.193 -13.919 12.309 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.616 -11.293 12.712 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.791 -12.553 12.389 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.974 -11.358 15.032 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.580 -11.758 14.455 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.231 -13.394 16.165 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.348 -14.034 14.976 1.00 0.00 H new ATOM 206 N VAL A 17 1.867 -11.863 12.369 1.00 0.00 N ATOM 207 CA VAL A 17 3.148 -11.169 12.417 1.00 0.00 C ATOM 208 C VAL A 17 3.061 -9.807 11.738 1.00 0.00 C ATOM 209 O VAL A 17 2.193 -9.575 10.894 1.00 0.00 O ATOM 210 CB VAL A 17 4.259 -11.996 11.744 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.785 -13.059 12.697 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.749 -12.627 10.458 1.00 0.00 C ATOM 0 H VAL A 17 1.336 -11.709 11.512 1.00 0.00 H new ATOM 0 HA VAL A 17 3.395 -11.031 13.470 1.00 0.00 H new ATOM 0 HB VAL A 17 5.083 -11.328 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.569 -13.634 12.204 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.191 -12.580 13.588 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.972 -13.726 12.983 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.547 -13.208 9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.907 -13.282 10.683 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.426 -11.844 9.772 1.00 0.00 H new ATOM 222 N THR A 18 3.966 -8.907 12.109 1.00 0.00 N ATOM 223 CA THR A 18 3.992 -7.567 11.535 1.00 0.00 C ATOM 224 C THR A 18 5.028 -7.465 10.422 1.00 0.00 C ATOM 225 O THR A 18 6.173 -7.887 10.588 1.00 0.00 O ATOM 226 CB THR A 18 4.298 -6.504 12.607 1.00 0.00 C ATOM 227 OG1 THR A 18 3.402 -6.651 13.714 1.00 0.00 O ATOM 228 CG2 THR A 18 4.173 -5.102 12.029 1.00 0.00 C ATOM 0 H THR A 18 4.691 -9.082 12.805 1.00 0.00 H new ATOM 0 HA THR A 18 3.001 -7.380 11.121 1.00 0.00 H new ATOM 0 HB THR A 18 5.323 -6.649 12.949 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.605 -5.972 14.391 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.393 -4.368 12.804 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.878 -4.984 11.206 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.158 -4.949 11.662 1.00 0.00 H new ATOM 236 N ILE A 19 4.619 -6.902 9.291 1.00 0.00 N ATOM 237 CA ILE A 19 5.514 -6.743 8.151 1.00 0.00 C ATOM 238 C ILE A 19 5.739 -5.269 7.829 1.00 0.00 C ATOM 239 O ILE A 19 5.265 -4.389 8.546 1.00 0.00 O ATOM 240 CB ILE A 19 4.964 -7.452 6.899 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.553 -6.952 6.582 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.965 -8.960 7.102 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.042 -7.402 5.232 1.00 0.00 C ATOM 0 H ILE A 19 3.674 -6.548 9.139 1.00 0.00 H new ATOM 0 HA ILE A 19 6.463 -7.201 8.430 1.00 0.00 H new ATOM 0 HB ILE A 19 5.610 -7.218 6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.870 -7.303 7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.545 -5.863 6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.574 -9.448 6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.984 -9.302 7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.338 -9.212 7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.037 -7.011 5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.703 -7.029 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.017 -8.491 5.197 1.00 0.00 H new ATOM 255 N GLU A 20 6.464 -5.009 6.745 1.00 0.00 N ATOM 256 CA GLU A 20 6.749 -3.641 6.329 1.00 0.00 C ATOM 257 C GLU A 20 6.508 -3.466 4.832 1.00 0.00 C ATOM 258 O GLU A 20 6.972 -4.267 4.019 1.00 0.00 O ATOM 259 CB GLU A 20 8.194 -3.272 6.670 1.00 0.00 C ATOM 260 CG GLU A 20 8.359 -2.679 8.059 1.00 0.00 C ATOM 261 CD GLU A 20 9.777 -2.216 8.331 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.335 -1.483 7.487 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.329 -2.587 9.387 1.00 0.00 O ATOM 0 H GLU A 20 6.864 -5.727 6.140 1.00 0.00 H new ATOM 0 HA GLU A 20 6.074 -2.976 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.817 -4.163 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.561 -2.558 5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.677 -1.836 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.074 -3.422 8.804 1.00 0.00 H new ATOM 270 N VAL A 21 5.777 -2.415 4.475 1.00 0.00 N ATOM 271 CA VAL A 21 5.474 -2.135 3.076 1.00 0.00 C ATOM 272 C VAL A 21 5.913 -0.727 2.691 1.00 0.00 C ATOM 273 O VAL A 21 5.720 0.224 3.448 1.00 0.00 O ATOM 274 CB VAL A 21 3.968 -2.288 2.788 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.735 -2.590 1.316 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.365 -3.373 3.665 1.00 0.00 C ATOM 0 H VAL A 21 5.384 -1.744 5.135 1.00 0.00 H new ATOM 0 HA VAL A 21 6.027 -2.861 2.480 1.00 0.00 H new ATOM 0 HB VAL A 21 3.473 -1.346 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.666 -2.695 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.130 -1.774 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.242 -3.518 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.301 -3.467 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.862 -4.322 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.499 -3.109 4.714 1.00 0.00 H new ATOM 286 N GLU A 22 6.506 -0.602 1.507 1.00 0.00 N ATOM 287 CA GLU A 22 6.973 0.691 1.021 1.00 0.00 C ATOM 288 C GLU A 22 5.814 1.518 0.472 1.00 0.00 C ATOM 289 O GLU A 22 5.190 1.148 -0.522 1.00 0.00 O ATOM 290 CB GLU A 22 8.036 0.499 -0.063 1.00 0.00 C ATOM 291 CG GLU A 22 9.362 -0.019 0.469 1.00 0.00 C ATOM 292 CD GLU A 22 10.113 -0.854 -0.549 1.00 0.00 C ATOM 293 OE1 GLU A 22 9.712 -2.016 -0.774 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.100 -0.348 -1.121 1.00 0.00 O ATOM 0 H GLU A 22 6.674 -1.379 0.868 1.00 0.00 H new ATOM 0 HA GLU A 22 7.413 1.229 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.658 -0.197 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.204 1.450 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.983 0.825 0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.182 -0.617 1.362 1.00 0.00 H new ATOM 301 N VAL A 23 5.532 2.639 1.127 1.00 0.00 N ATOM 302 CA VAL A 23 4.449 3.520 0.705 1.00 0.00 C ATOM 303 C VAL A 23 4.698 4.954 1.157 1.00 0.00 C ATOM 304 O VAL A 23 4.907 5.230 2.339 1.00 0.00 O ATOM 305 CB VAL A 23 3.093 3.046 1.260 1.00 0.00 C ATOM 306 CG1 VAL A 23 1.983 4.000 0.844 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.791 1.630 0.794 1.00 0.00 C ATOM 0 H VAL A 23 6.038 2.959 1.952 1.00 0.00 H new ATOM 0 HA VAL A 23 4.420 3.487 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 23 3.148 3.042 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.032 3.649 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.195 4.996 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.925 4.039 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.829 1.312 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.755 1.605 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.572 0.957 1.147 1.00 0.00 H new ATOM 317 N PRO A 24 4.676 5.889 0.197 1.00 0.00 N ATOM 318 CA PRO A 24 4.897 7.312 0.472 1.00 0.00 C ATOM 319 C PRO A 24 3.742 7.939 1.246 1.00 0.00 C ATOM 320 O PRO A 24 2.573 7.710 0.931 1.00 0.00 O ATOM 321 CB PRO A 24 5.003 7.932 -0.923 1.00 0.00 C ATOM 322 CG PRO A 24 4.241 7.007 -1.808 1.00 0.00 C ATOM 323 CD PRO A 24 4.433 5.631 -1.232 1.00 0.00 C ATOM 0 HA PRO A 24 5.778 7.474 1.093 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.580 8.937 -0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.042 8.017 -1.240 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.185 7.275 -1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.609 7.056 -2.833 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.553 5.006 -1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.274 5.115 -1.696 1.00 0.00 H new ATOM 331 N PHE A 25 4.075 8.731 2.259 1.00 0.00 N ATOM 332 CA PHE A 25 3.065 9.391 3.078 1.00 0.00 C ATOM 333 C PHE A 25 2.151 10.260 2.219 1.00 0.00 C ATOM 334 O PHE A 25 1.038 10.597 2.623 1.00 0.00 O ATOM 335 CB PHE A 25 3.732 10.245 4.159 1.00 0.00 C ATOM 336 CG PHE A 25 2.785 10.700 5.232 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.950 11.786 5.022 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.730 10.044 6.451 1.00 0.00 C ATOM 339 CE1 PHE A 25 1.077 12.208 6.007 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.860 10.462 7.439 1.00 0.00 C ATOM 341 CZ PHE A 25 1.032 11.545 7.217 1.00 0.00 C ATOM 0 H PHE A 25 5.037 8.932 2.533 1.00 0.00 H new ATOM 0 HA PHE A 25 2.460 8.620 3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.539 9.673 4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.186 11.119 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.982 12.309 4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.375 9.196 6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.431 13.055 5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.827 9.942 8.385 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.351 11.872 7.988 1.00 0.00 H new ATOM 351 N ASP A 26 2.629 10.620 1.033 1.00 0.00 N ATOM 352 CA ASP A 26 1.856 11.449 0.117 1.00 0.00 C ATOM 353 C ASP A 26 0.643 10.690 -0.411 1.00 0.00 C ATOM 354 O ASP A 26 -0.315 11.291 -0.899 1.00 0.00 O ATOM 355 CB ASP A 26 2.732 11.909 -1.050 1.00 0.00 C ATOM 356 CG ASP A 26 3.656 13.048 -0.665 1.00 0.00 C ATOM 357 OD1 ASP A 26 4.360 12.922 0.358 1.00 0.00 O ATOM 358 OD2 ASP A 26 3.674 14.067 -1.388 1.00 0.00 O ATOM 0 H ASP A 26 3.549 10.350 0.684 1.00 0.00 H new ATOM 0 HA ASP A 26 1.505 12.323 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.326 11.068 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.095 12.225 -1.876 1.00 0.00 H new ATOM 363 N LEU A 27 0.690 9.366 -0.311 1.00 0.00 N ATOM 364 CA LEU A 27 -0.405 8.524 -0.780 1.00 0.00 C ATOM 365 C LEU A 27 -1.315 8.121 0.376 1.00 0.00 C ATOM 366 O LEU A 27 -2.514 7.913 0.193 1.00 0.00 O ATOM 367 CB LEU A 27 0.146 7.274 -1.469 1.00 0.00 C ATOM 368 CG LEU A 27 0.761 7.487 -2.853 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.252 6.168 -3.427 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.246 8.138 -3.790 1.00 0.00 C ATOM 0 H LEU A 27 1.475 8.853 0.091 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.991 9.099 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.902 6.830 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.662 6.548 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 27 1.616 8.155 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.686 6.339 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.007 5.742 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.415 5.475 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.209 8.282 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.121 7.495 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.548 9.104 -3.385 1.00 0.00 H new ATOM 382 N HIS A 28 -0.737 8.016 1.569 1.00 0.00 N ATOM 383 CA HIS A 28 -1.496 7.642 2.756 1.00 0.00 C ATOM 384 C HIS A 28 -2.849 8.346 2.781 1.00 0.00 C ATOM 385 O HIS A 28 -3.893 7.703 2.897 1.00 0.00 O ATOM 386 CB HIS A 28 -0.708 7.982 4.021 1.00 0.00 C ATOM 387 CG HIS A 28 0.536 7.165 4.190 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.194 7.037 5.395 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.242 6.433 3.297 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.251 6.260 5.236 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.304 5.880 3.972 1.00 0.00 N ATOM 0 H HIS A 28 0.255 8.185 1.738 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.667 6.566 2.722 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.439 9.038 3.999 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.350 7.835 4.890 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.013 6.307 2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.953 5.983 6.009 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.017 5.275 3.564 1.00 0.00 H new ATOM 399 N ARG A 29 -2.824 9.670 2.670 1.00 0.00 N ATOM 400 CA ARG A 29 -4.047 10.461 2.682 1.00 0.00 C ATOM 401 C ARG A 29 -5.121 9.816 1.811 1.00 0.00 C ATOM 402 O ARG A 29 -6.308 9.863 2.133 1.00 0.00 O ATOM 403 CB ARG A 29 -3.765 11.884 2.194 1.00 0.00 C ATOM 404 CG ARG A 29 -3.236 11.945 0.770 1.00 0.00 C ATOM 405 CD ARG A 29 -2.430 13.211 0.529 1.00 0.00 C ATOM 406 NE ARG A 29 -3.263 14.410 0.589 1.00 0.00 N ATOM 407 CZ ARG A 29 -2.887 15.590 0.109 1.00 0.00 C ATOM 408 NH1 ARG A 29 -1.699 15.730 -0.462 1.00 0.00 N ATOM 409 NH2 ARG A 29 -3.701 16.634 0.201 1.00 0.00 N ATOM 0 H ARG A 29 -1.969 10.217 2.571 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.413 10.502 3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.682 12.469 2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.042 12.352 2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.612 11.073 0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.070 11.904 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.637 13.283 1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.947 13.153 -0.447 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.183 14.337 1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.070 14.930 -0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.414 16.638 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.616 16.530 0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.412 17.540 -0.168 1.00 0.00 H new ATOM 423 N TYR A 30 -4.694 9.214 0.705 1.00 0.00 N ATOM 424 CA TYR A 30 -5.618 8.561 -0.214 1.00 0.00 C ATOM 425 C TYR A 30 -5.894 7.125 0.218 1.00 0.00 C ATOM 426 O TYR A 30 -7.027 6.648 0.141 1.00 0.00 O ATOM 427 CB TYR A 30 -5.053 8.578 -1.635 1.00 0.00 C ATOM 428 CG TYR A 30 -4.691 9.962 -2.127 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.579 11.022 -1.994 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.461 10.208 -2.724 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.252 12.288 -2.442 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.126 11.472 -3.174 1.00 0.00 C ATOM 433 CZ TYR A 30 -4.025 12.507 -3.031 1.00 0.00 C ATOM 434 OH TYR A 30 -3.696 13.767 -3.476 1.00 0.00 O ATOM 0 H TYR A 30 -3.715 9.165 0.424 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.558 9.113 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.166 7.945 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.785 8.141 -2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.541 10.854 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.755 9.399 -2.839 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.954 13.101 -2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.165 11.647 -3.635 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.796 13.752 -3.865 1.00 0.00 H new ATOM 444 N VAL A 31 -4.850 6.441 0.675 1.00 0.00 N ATOM 445 CA VAL A 31 -4.978 5.059 1.121 1.00 0.00 C ATOM 446 C VAL A 31 -6.023 4.933 2.226 1.00 0.00 C ATOM 447 O VAL A 31 -6.889 4.059 2.177 1.00 0.00 O ATOM 448 CB VAL A 31 -3.635 4.509 1.636 1.00 0.00 C ATOM 449 CG1 VAL A 31 -3.802 3.088 2.151 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.582 4.566 0.540 1.00 0.00 C ATOM 0 H VAL A 31 -3.906 6.821 0.746 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.294 4.475 0.257 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.300 5.133 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.843 2.716 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.524 3.079 2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.160 2.448 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.639 4.174 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.908 3.966 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.443 5.599 0.222 1.00 0.00 H new ATOM 460 N ILE A 32 -5.935 5.812 3.218 1.00 0.00 N ATOM 461 CA ILE A 32 -6.873 5.799 4.333 1.00 0.00 C ATOM 462 C ILE A 32 -8.253 6.280 3.896 1.00 0.00 C ATOM 463 O ILE A 32 -9.271 5.854 4.439 1.00 0.00 O ATOM 464 CB ILE A 32 -6.379 6.682 5.495 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.920 6.358 5.825 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.260 6.487 6.719 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.171 7.514 6.448 1.00 0.00 C ATOM 0 H ILE A 32 -5.224 6.542 3.272 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.942 4.766 4.675 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.440 7.727 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.890 5.507 6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.408 6.054 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.899 7.117 7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.286 6.761 6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.227 5.442 7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.144 7.213 6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.169 8.360 5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.659 7.804 7.379 1.00 0.00 H new ATOM 550 N ILE A 39 -9.157 1.614 3.620 1.00 0.00 N ATOM 551 CA ILE A 39 -8.258 0.599 4.155 1.00 0.00 C ATOM 552 C ILE A 39 -9.038 -0.579 4.730 1.00 0.00 C ATOM 553 O ILE A 39 -8.737 -1.736 4.439 1.00 0.00 O ATOM 554 CB ILE A 39 -7.344 1.178 5.251 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.274 2.078 4.630 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.701 0.056 6.052 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.348 2.707 5.648 1.00 0.00 C ATOM 0 HA ILE A 39 -7.643 0.254 3.324 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.950 1.780 5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.683 1.493 3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.762 2.867 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.058 0.481 6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.478 -0.548 6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.106 -0.570 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.615 3.331 5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.928 3.319 6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.832 1.924 6.204 1.00 0.00 H new ATOM 569 N ARG A 40 -10.043 -0.275 5.544 1.00 0.00 N ATOM 570 CA ARG A 40 -10.868 -1.309 6.159 1.00 0.00 C ATOM 571 C ARG A 40 -11.215 -2.399 5.149 1.00 0.00 C ATOM 572 O ARG A 40 -11.099 -3.589 5.441 1.00 0.00 O ATOM 573 CB ARG A 40 -12.151 -0.697 6.726 1.00 0.00 C ATOM 574 CG ARG A 40 -11.982 -0.114 8.119 1.00 0.00 C ATOM 575 CD ARG A 40 -13.293 -0.120 8.889 1.00 0.00 C ATOM 576 NE ARG A 40 -13.276 0.816 10.008 1.00 0.00 N ATOM 577 CZ ARG A 40 -13.260 2.137 9.862 1.00 0.00 C ATOM 578 NH1 ARG A 40 -13.259 2.673 8.649 1.00 0.00 N ATOM 579 NH2 ARG A 40 -13.245 2.924 10.930 1.00 0.00 N ATOM 0 H ARG A 40 -10.306 0.678 5.793 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.298 -1.759 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.498 0.087 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.927 -1.461 6.753 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.235 -0.688 8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.608 0.907 8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.110 0.136 8.215 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.490 -1.125 9.261 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.276 0.436 10.954 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.271 2.071 7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.247 3.687 8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.246 2.515 11.865 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.233 3.938 10.816 1.00 0.00 H new ATOM 593 N LYS A 41 -11.640 -1.984 3.960 1.00 0.00 N ATOM 594 CA LYS A 41 -12.004 -2.924 2.907 1.00 0.00 C ATOM 595 C LYS A 41 -10.973 -4.043 2.797 1.00 0.00 C ATOM 596 O LYS A 41 -11.317 -5.223 2.844 1.00 0.00 O ATOM 597 CB LYS A 41 -12.127 -2.195 1.566 1.00 0.00 C ATOM 598 CG LYS A 41 -12.123 -3.126 0.366 1.00 0.00 C ATOM 599 CD LYS A 41 -12.645 -2.432 -0.880 1.00 0.00 C ATOM 600 CE LYS A 41 -13.292 -3.418 -1.839 1.00 0.00 C ATOM 601 NZ LYS A 41 -14.633 -3.857 -1.362 1.00 0.00 N ATOM 0 H LYS A 41 -11.741 -1.002 3.702 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.967 -3.365 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.049 -1.613 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.303 -1.488 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.110 -3.485 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.737 -4.000 0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.371 -1.670 -0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.825 -1.919 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.389 -2.958 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.646 -4.288 -1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.132 -4.347 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.520 -4.504 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.185 -3.027 -1.065 1.00 0.00 H new ATOM 615 N MET A 42 -9.708 -3.663 2.651 1.00 0.00 N ATOM 616 CA MET A 42 -8.628 -4.636 2.537 1.00 0.00 C ATOM 617 C MET A 42 -8.487 -5.446 3.822 1.00 0.00 C ATOM 618 O MET A 42 -8.164 -6.633 3.786 1.00 0.00 O ATOM 619 CB MET A 42 -7.308 -3.930 2.220 1.00 0.00 C ATOM 620 CG MET A 42 -7.382 -3.022 1.002 1.00 0.00 C ATOM 621 SD MET A 42 -5.807 -2.893 0.135 1.00 0.00 S ATOM 622 CE MET A 42 -4.665 -2.834 1.513 1.00 0.00 C ATOM 0 H MET A 42 -9.406 -2.690 2.609 1.00 0.00 H new ATOM 0 HA MET A 42 -8.873 -5.318 1.723 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.004 -3.340 3.085 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.534 -4.680 2.058 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.140 -3.401 0.316 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.703 -2.028 1.314 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.730 -2.375 1.191 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.100 -2.245 2.321 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.469 -3.846 1.867 1.00 0.00 H new ATOM 632 N MET A 43 -8.733 -4.797 4.955 1.00 0.00 N ATOM 633 CA MET A 43 -8.634 -5.459 6.251 1.00 0.00 C ATOM 634 C MET A 43 -9.694 -6.548 6.387 1.00 0.00 C ATOM 635 O MET A 43 -9.442 -7.602 6.973 1.00 0.00 O ATOM 636 CB MET A 43 -8.786 -4.439 7.381 1.00 0.00 C ATOM 637 CG MET A 43 -7.691 -3.385 7.401 1.00 0.00 C ATOM 638 SD MET A 43 -7.435 -2.681 9.041 1.00 0.00 S ATOM 639 CE MET A 43 -8.739 -1.455 9.090 1.00 0.00 C ATOM 0 H MET A 43 -9.002 -3.814 5.002 1.00 0.00 H new ATOM 0 HA MET A 43 -7.650 -5.923 6.320 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.753 -3.945 7.285 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.790 -4.965 8.336 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.759 -3.828 7.051 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.947 -2.588 6.703 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.556 -0.761 9.911 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.758 -0.906 8.148 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.698 -1.950 9.241 1.00 0.00 H new ATOM 649 N ASP A 44 -10.877 -6.287 5.843 1.00 0.00 N ATOM 650 CA ASP A 44 -11.975 -7.246 5.903 1.00 0.00 C ATOM 651 C ASP A 44 -11.831 -8.303 4.813 1.00 0.00 C ATOM 652 O ASP A 44 -12.248 -9.448 4.989 1.00 0.00 O ATOM 653 CB ASP A 44 -13.316 -6.527 5.761 1.00 0.00 C ATOM 654 CG ASP A 44 -13.887 -6.096 7.098 1.00 0.00 C ATOM 655 OD1 ASP A 44 -14.450 -6.956 7.808 1.00 0.00 O ATOM 656 OD2 ASP A 44 -13.769 -4.900 7.435 1.00 0.00 O ATOM 0 H ASP A 44 -11.101 -5.420 5.355 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.940 -7.743 6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.190 -5.652 5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.027 -7.185 5.261 1.00 0.00 H new ATOM 661 N GLU A 45 -11.242 -7.912 3.688 1.00 0.00 N ATOM 662 CA GLU A 45 -11.047 -8.826 2.569 1.00 0.00 C ATOM 663 C GLU A 45 -9.922 -9.814 2.865 1.00 0.00 C ATOM 664 O GLU A 45 -10.085 -11.024 2.702 1.00 0.00 O ATOM 665 CB GLU A 45 -10.732 -8.046 1.292 1.00 0.00 C ATOM 666 CG GLU A 45 -10.064 -8.884 0.215 1.00 0.00 C ATOM 667 CD GLU A 45 -10.386 -8.398 -1.185 1.00 0.00 C ATOM 668 OE1 GLU A 45 -10.141 -7.208 -1.472 1.00 0.00 O ATOM 669 OE2 GLU A 45 -10.881 -9.210 -1.994 1.00 0.00 O ATOM 0 H GLU A 45 -10.891 -6.968 3.527 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.971 -9.385 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.657 -7.629 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.084 -7.205 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.984 -8.865 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.382 -9.922 0.318 1.00 0.00 H new ATOM 676 N PHE A 46 -8.781 -9.291 3.299 1.00 0.00 N ATOM 677 CA PHE A 46 -7.628 -10.125 3.615 1.00 0.00 C ATOM 678 C PHE A 46 -7.647 -10.547 5.081 1.00 0.00 C ATOM 679 O PHE A 46 -6.835 -11.363 5.514 1.00 0.00 O ATOM 680 CB PHE A 46 -6.330 -9.377 3.305 1.00 0.00 C ATOM 681 CG PHE A 46 -6.250 -8.876 1.892 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.180 -9.763 0.831 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.243 -7.516 1.625 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.107 -9.304 -0.472 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.171 -7.051 0.326 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.101 -7.947 -0.724 1.00 0.00 C ATOM 0 H PHE A 46 -8.630 -8.292 3.440 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.679 -11.021 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.235 -8.532 3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.485 -10.038 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.182 -10.826 1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.294 -6.811 2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.055 -10.006 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.169 -5.989 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.042 -7.586 -1.740 1.00 0.00 H new ATOM 696 N GLU A 47 -8.582 -9.983 5.841 1.00 0.00 N ATOM 697 CA GLU A 47 -8.706 -10.299 7.259 1.00 0.00 C ATOM 698 C GLU A 47 -7.417 -9.970 8.005 1.00 0.00 C ATOM 699 O GLU A 47 -6.931 -10.767 8.808 1.00 0.00 O ATOM 700 CB GLU A 47 -9.054 -11.778 7.446 1.00 0.00 C ATOM 701 CG GLU A 47 -10.386 -12.172 6.829 1.00 0.00 C ATOM 702 CD GLU A 47 -10.521 -13.671 6.643 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.930 -14.206 5.681 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.219 -14.309 7.459 1.00 0.00 O ATOM 0 H GLU A 47 -9.263 -9.306 5.498 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.509 -9.689 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.265 -12.387 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.075 -12.006 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.197 -11.814 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.495 -11.678 5.863 1.00 0.00 H new ATOM 711 N VAL A 48 -6.866 -8.792 7.733 1.00 0.00 N ATOM 712 CA VAL A 48 -5.634 -8.357 8.378 1.00 0.00 C ATOM 713 C VAL A 48 -5.807 -6.988 9.029 1.00 0.00 C ATOM 714 O VAL A 48 -6.906 -6.435 9.050 1.00 0.00 O ATOM 715 CB VAL A 48 -4.468 -8.291 7.374 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.182 -9.668 6.796 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.774 -7.293 6.267 1.00 0.00 C ATOM 0 H VAL A 48 -7.254 -8.121 7.070 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.402 -9.095 9.146 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.576 -7.952 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.355 -9.601 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.916 -10.353 7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.069 -10.039 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.939 -7.259 5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.678 -7.600 5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.924 -6.304 6.700 1.00 0.00 H new ATOM 727 N ASN A 49 -4.715 -6.448 9.558 1.00 0.00 N ATOM 728 CA ASN A 49 -4.745 -5.144 10.210 1.00 0.00 C ATOM 729 C ASN A 49 -3.620 -4.252 9.696 1.00 0.00 C ATOM 730 O ASN A 49 -2.442 -4.594 9.811 1.00 0.00 O ATOM 731 CB ASN A 49 -4.631 -5.306 11.727 1.00 0.00 C ATOM 732 CG ASN A 49 -5.876 -5.919 12.339 1.00 0.00 C ATOM 733 OD1 ASN A 49 -5.986 -7.139 12.458 1.00 0.00 O ATOM 734 ND2 ASN A 49 -6.822 -5.073 12.728 1.00 0.00 N ATOM 0 H ASN A 49 -3.797 -6.893 9.548 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.697 -4.669 9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.770 -5.932 11.959 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.448 -4.332 12.181 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.683 -5.427 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.688 -4.069 12.610 1.00 0.00 H new ATOM 741 N ILE A 50 -3.989 -3.109 9.131 1.00 0.00 N ATOM 742 CA ILE A 50 -3.010 -2.167 8.602 1.00 0.00 C ATOM 743 C ILE A 50 -2.813 -0.989 9.549 1.00 0.00 C ATOM 744 O ILE A 50 -3.779 -0.390 10.023 1.00 0.00 O ATOM 745 CB ILE A 50 -3.432 -1.634 7.219 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.577 -2.789 6.226 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.420 -0.617 6.712 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.174 -2.374 4.899 1.00 0.00 C ATOM 0 H ILE A 50 -4.959 -2.812 9.027 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.071 -2.711 8.502 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.398 -1.139 7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.597 -3.233 6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.203 -3.563 6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.732 -0.250 5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.361 0.217 7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.441 -1.089 6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.247 -3.243 4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.168 -1.958 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.537 -1.622 4.433 1.00 0.00 H new ATOM 760 N HIS A 51 -1.554 -0.659 9.819 1.00 0.00 N ATOM 761 CA HIS A 51 -1.228 0.450 10.709 1.00 0.00 C ATOM 762 C HIS A 51 -0.361 1.484 9.995 1.00 0.00 C ATOM 763 O HIS A 51 0.818 1.246 9.735 1.00 0.00 O ATOM 764 CB HIS A 51 -0.508 -0.062 11.957 1.00 0.00 C ATOM 765 CG HIS A 51 -1.434 -0.424 13.076 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.840 0.476 14.039 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.037 -1.597 13.383 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.649 -0.128 14.890 1.00 0.00 C ATOM 769 NE2 HIS A 51 -2.786 -1.387 14.514 1.00 0.00 N ATOM 0 H HIS A 51 -0.743 -1.143 9.434 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.161 0.928 11.008 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.086 -0.936 11.691 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.187 0.702 12.304 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.946 -2.525 12.839 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.119 0.330 15.748 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.356 -2.089 14.987 1.00 0.00 H new ATOM 777 N VAL A 52 -0.954 2.631 9.679 1.00 0.00 N ATOM 778 CA VAL A 52 -0.237 3.699 8.995 1.00 0.00 C ATOM 779 C VAL A 52 0.394 4.664 9.993 1.00 0.00 C ATOM 780 O VAL A 52 -0.206 5.028 11.005 1.00 0.00 O ATOM 781 CB VAL A 52 -1.167 4.487 8.052 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.418 5.641 7.405 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.758 3.565 6.997 1.00 0.00 C ATOM 0 H VAL A 52 -1.930 2.844 9.886 1.00 0.00 H new ATOM 0 HA VAL A 52 0.548 3.226 8.405 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.986 4.902 8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.091 6.186 6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.047 6.313 8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.422 5.252 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.412 4.137 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.954 3.120 6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.332 2.776 7.483 1.00 0.00 H new ATOM 793 N PRO A 53 1.631 5.091 9.704 1.00 0.00 N ATOM 794 CA PRO A 53 2.370 6.020 10.563 1.00 0.00 C ATOM 795 C PRO A 53 1.776 7.425 10.542 1.00 0.00 C ATOM 796 O PRO A 53 1.415 7.941 9.485 1.00 0.00 O ATOM 797 CB PRO A 53 3.776 6.025 9.956 1.00 0.00 C ATOM 798 CG PRO A 53 3.573 5.646 8.529 1.00 0.00 C ATOM 799 CD PRO A 53 2.407 4.698 8.514 1.00 0.00 C ATOM 0 HA PRO A 53 2.344 5.715 11.609 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.241 7.007 10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.430 5.316 10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.369 6.525 7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.466 5.173 8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.820 4.798 7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.733 3.659 8.572 1.00 0.00 H new ATOM 807 N ALA A 54 1.679 8.038 11.717 1.00 0.00 N ATOM 808 CA ALA A 54 1.131 9.385 11.833 1.00 0.00 C ATOM 809 C ALA A 54 1.956 10.383 11.028 1.00 0.00 C ATOM 810 O ALA A 54 3.054 10.084 10.560 1.00 0.00 O ATOM 811 CB ALA A 54 1.067 9.805 13.293 1.00 0.00 C ATOM 0 H ALA A 54 1.972 7.624 12.602 1.00 0.00 H new ATOM 0 HA ALA A 54 0.120 9.376 11.425 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.656 10.812 13.364 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.429 9.113 13.843 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.070 9.791 13.720 1.00 0.00 H new ATOM 817 N PRO A 55 1.414 11.600 10.861 1.00 0.00 N ATOM 818 CA PRO A 55 2.084 12.667 10.112 1.00 0.00 C ATOM 819 C PRO A 55 3.311 13.205 10.841 1.00 0.00 C ATOM 820 O PRO A 55 4.207 13.782 10.224 1.00 0.00 O ATOM 821 CB PRO A 55 1.009 13.752 10.003 1.00 0.00 C ATOM 822 CG PRO A 55 0.111 13.513 11.168 1.00 0.00 C ATOM 823 CD PRO A 55 0.109 12.026 11.390 1.00 0.00 C ATOM 0 HA PRO A 55 2.456 12.317 9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.448 14.749 10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.465 13.677 9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.470 14.039 12.052 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.896 13.879 10.966 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.003 11.778 12.446 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.715 11.542 10.865 1.00 0.00 H new ATOM 831 N GLU A 56 3.345 13.012 12.156 1.00 0.00 N ATOM 832 CA GLU A 56 4.463 13.480 12.968 1.00 0.00 C ATOM 833 C GLU A 56 5.686 12.588 12.772 1.00 0.00 C ATOM 834 O GLU A 56 6.823 13.059 12.811 1.00 0.00 O ATOM 835 CB GLU A 56 4.071 13.509 14.446 1.00 0.00 C ATOM 836 CG GLU A 56 3.720 12.142 15.011 1.00 0.00 C ATOM 837 CD GLU A 56 2.798 12.227 16.212 1.00 0.00 C ATOM 838 OE1 GLU A 56 2.037 13.212 16.310 1.00 0.00 O ATOM 839 OE2 GLU A 56 2.840 11.307 17.057 1.00 0.00 O ATOM 0 H GLU A 56 2.612 12.535 12.681 1.00 0.00 H new ATOM 0 HA GLU A 56 4.715 14.491 12.647 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.894 13.931 15.023 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.218 14.175 14.574 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.245 11.543 14.234 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.636 11.625 15.297 1.00 0.00 H new ATOM 846 N LEU A 57 5.444 11.299 12.564 1.00 0.00 N ATOM 847 CA LEU A 57 6.526 10.340 12.363 1.00 0.00 C ATOM 848 C LEU A 57 7.138 10.493 10.975 1.00 0.00 C ATOM 849 O LEU A 57 8.265 10.064 10.733 1.00 0.00 O ATOM 850 CB LEU A 57 6.009 8.912 12.549 1.00 0.00 C ATOM 851 CG LEU A 57 5.430 8.583 13.926 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.602 7.309 13.866 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.543 8.450 14.955 1.00 0.00 C ATOM 0 H LEU A 57 4.509 10.893 12.530 1.00 0.00 H new ATOM 0 HA LEU A 57 7.299 10.541 13.105 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.240 8.724 11.799 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.827 8.221 12.346 1.00 0.00 H new ATOM 0 HG LEU A 57 4.778 9.402 14.230 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.198 7.091 14.855 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.782 7.441 13.160 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.232 6.481 13.540 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.112 8.216 15.929 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.221 7.650 14.656 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.094 9.388 15.018 1.00 0.00 H new ATOM 865 N GLN A 58 6.388 11.111 10.067 1.00 0.00 N ATOM 866 CA GLN A 58 6.859 11.322 8.703 1.00 0.00 C ATOM 867 C GLN A 58 7.514 10.060 8.152 1.00 0.00 C ATOM 868 O GLN A 58 8.602 10.114 7.579 1.00 0.00 O ATOM 869 CB GLN A 58 7.850 12.487 8.658 1.00 0.00 C ATOM 870 CG GLN A 58 7.217 13.836 8.955 1.00 0.00 C ATOM 871 CD GLN A 58 8.063 14.998 8.470 1.00 0.00 C ATOM 872 OE1 GLN A 58 8.771 14.889 7.469 1.00 0.00 O ATOM 873 NE2 GLN A 58 7.994 16.118 9.180 1.00 0.00 N ATOM 0 H GLN A 58 5.453 11.474 10.251 1.00 0.00 H new ATOM 0 HA GLN A 58 5.997 11.563 8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.647 12.303 9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.313 12.521 7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.236 13.884 8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.059 13.930 10.029 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.393 16.164 10.003 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.541 16.933 8.902 1.00 0.00 H new ATOM 882 N SER A 59 6.844 8.926 8.329 1.00 0.00 N ATOM 883 CA SER A 59 7.363 7.649 7.852 1.00 0.00 C ATOM 884 C SER A 59 6.722 7.264 6.523 1.00 0.00 C ATOM 885 O SER A 59 5.574 7.615 6.250 1.00 0.00 O ATOM 886 CB SER A 59 7.111 6.553 8.890 1.00 0.00 C ATOM 887 OG SER A 59 8.072 5.518 8.782 1.00 0.00 O ATOM 0 H SER A 59 5.941 8.865 8.799 1.00 0.00 H new ATOM 0 HA SER A 59 8.437 7.755 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.145 6.982 9.892 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.111 6.141 8.753 1.00 0.00 H new ATOM 0 HG SER A 59 7.890 4.831 9.457 1.00 0.00 H new ATOM 893 N ASP A 60 7.472 6.541 5.699 1.00 0.00 N ATOM 894 CA ASP A 60 6.979 6.107 4.398 1.00 0.00 C ATOM 895 C ASP A 60 6.846 4.588 4.347 1.00 0.00 C ATOM 896 O ASP A 60 6.778 3.997 3.268 1.00 0.00 O ATOM 897 CB ASP A 60 7.914 6.587 3.287 1.00 0.00 C ATOM 898 CG ASP A 60 8.194 8.075 3.370 1.00 0.00 C ATOM 899 OD1 ASP A 60 9.044 8.474 4.193 1.00 0.00 O ATOM 900 OD2 ASP A 60 7.564 8.840 2.610 1.00 0.00 O ATOM 0 H ASP A 60 8.425 6.243 5.909 1.00 0.00 H new ATOM 0 HA ASP A 60 5.993 6.546 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.855 6.039 3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.471 6.357 2.318 1.00 0.00 H new ATOM 905 N ILE A 61 6.810 3.962 5.518 1.00 0.00 N ATOM 906 CA ILE A 61 6.685 2.514 5.606 1.00 0.00 C ATOM 907 C ILE A 61 5.479 2.115 6.450 1.00 0.00 C ATOM 908 O ILE A 61 5.370 2.500 7.615 1.00 0.00 O ATOM 909 CB ILE A 61 7.952 1.874 6.207 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.200 2.614 5.724 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.026 0.400 5.839 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.517 2.375 4.265 1.00 0.00 C ATOM 0 H ILE A 61 6.866 4.436 6.419 1.00 0.00 H new ATOM 0 HA ILE A 61 6.550 2.148 4.588 1.00 0.00 H new ATOM 0 HB ILE A 61 7.903 1.954 7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.065 3.683 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.053 2.304 6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.926 -0.038 6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.149 -0.117 6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.057 0.297 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.414 2.931 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.684 1.311 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.681 2.711 3.651 1.00 0.00 H new ATOM 924 N ILE A 62 4.576 1.342 5.855 1.00 0.00 N ATOM 925 CA ILE A 62 3.380 0.889 6.553 1.00 0.00 C ATOM 926 C ILE A 62 3.585 -0.498 7.153 1.00 0.00 C ATOM 927 O ILE A 62 4.235 -1.355 6.554 1.00 0.00 O ATOM 928 CB ILE A 62 2.160 0.855 5.615 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.678 2.277 5.316 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.040 0.029 6.230 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.725 2.359 4.145 1.00 0.00 C ATOM 0 H ILE A 62 4.651 1.017 4.891 1.00 0.00 H new ATOM 0 HA ILE A 62 3.192 1.604 7.354 1.00 0.00 H new ATOM 0 HB ILE A 62 2.456 0.387 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.187 2.679 6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.542 2.910 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.185 0.015 5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.388 -0.990 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.743 0.470 7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.425 3.396 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.219 1.987 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.157 1.753 4.351 1.00 0.00 H new ATOM 943 N ALA A 63 3.024 -0.713 8.338 1.00 0.00 N ATOM 944 CA ALA A 63 3.142 -1.997 9.017 1.00 0.00 C ATOM 945 C ALA A 63 1.825 -2.765 8.969 1.00 0.00 C ATOM 946 O ALA A 63 0.788 -2.268 9.408 1.00 0.00 O ATOM 947 CB ALA A 63 3.583 -1.794 10.459 1.00 0.00 C ATOM 0 H ALA A 63 2.483 -0.014 8.848 1.00 0.00 H new ATOM 0 HA ALA A 63 3.897 -2.587 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.667 -2.762 10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.551 -1.293 10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.848 -1.182 10.982 1.00 0.00 H new ATOM 953 N ILE A 64 1.874 -3.981 8.433 1.00 0.00 N ATOM 954 CA ILE A 64 0.686 -4.818 8.328 1.00 0.00 C ATOM 955 C ILE A 64 0.790 -6.037 9.238 1.00 0.00 C ATOM 956 O ILE A 64 1.762 -6.791 9.176 1.00 0.00 O ATOM 957 CB ILE A 64 0.455 -5.290 6.880 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.563 -4.109 5.913 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.903 -5.963 6.752 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.311 -4.484 4.470 1.00 0.00 C ATOM 0 H ILE A 64 2.724 -4.408 8.065 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.160 -4.205 8.641 1.00 0.00 H new ATOM 0 HB ILE A 64 1.225 -6.018 6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.151 -3.340 6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.557 -3.671 5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.051 -6.291 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.946 -6.825 7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.687 -5.256 7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.404 -3.598 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.041 -5.230 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.694 -4.895 4.371 1.00 0.00 H new ATOM 972 N THR A 65 -0.219 -6.227 10.082 1.00 0.00 N ATOM 973 CA THR A 65 -0.241 -7.356 11.004 1.00 0.00 C ATOM 974 C THR A 65 -1.168 -8.458 10.502 1.00 0.00 C ATOM 975 O THR A 65 -2.278 -8.188 10.044 1.00 0.00 O ATOM 976 CB THR A 65 -0.693 -6.922 12.411 1.00 0.00 C ATOM 977 OG1 THR A 65 0.145 -5.865 12.891 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.645 -8.094 13.380 1.00 0.00 C ATOM 0 H THR A 65 -1.032 -5.614 10.146 1.00 0.00 H new ATOM 0 HA THR A 65 0.778 -7.740 11.059 1.00 0.00 H new ATOM 0 HB THR A 65 -1.722 -6.567 12.345 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.150 -5.594 13.785 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.968 -7.763 14.367 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.307 -8.885 13.027 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.375 -8.474 13.441 1.00 0.00 H new ATOM 986 N GLY A 66 -0.705 -9.701 10.592 1.00 0.00 N ATOM 987 CA GLY A 66 -1.506 -10.825 10.143 1.00 0.00 C ATOM 988 C GLY A 66 -0.666 -12.050 9.840 1.00 0.00 C ATOM 989 O GLY A 66 0.563 -11.977 9.808 1.00 0.00 O ATOM 0 H GLY A 66 0.210 -9.950 10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.241 -11.072 10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.061 -10.538 9.250 1.00 0.00 H new ATOM 993 N LEU A 67 -1.330 -13.179 9.617 1.00 0.00 N ATOM 994 CA LEU A 67 -0.636 -14.427 9.316 1.00 0.00 C ATOM 995 C LEU A 67 0.175 -14.303 8.032 1.00 0.00 C ATOM 996 O LEU A 67 -0.294 -13.742 7.041 1.00 0.00 O ATOM 997 CB LEU A 67 -1.642 -15.574 9.190 1.00 0.00 C ATOM 998 CG LEU A 67 -2.430 -15.917 10.455 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.576 -16.864 10.129 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.514 -16.529 11.505 1.00 0.00 C ATOM 0 H LEU A 67 -2.347 -13.256 9.639 1.00 0.00 H new ATOM 0 HA LEU A 67 0.049 -14.641 10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.351 -15.324 8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.107 -16.467 8.866 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.849 -14.996 10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.126 -17.097 11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.247 -16.390 9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.177 -17.784 9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.092 -16.767 12.398 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.066 -17.440 11.110 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.727 -15.819 11.760 1.00 0.00 H new ATOM 1012 N ALA A 68 1.393 -14.834 8.054 1.00 0.00 N ATOM 1013 CA ALA A 68 2.268 -14.786 6.889 1.00 0.00 C ATOM 1014 C ALA A 68 1.481 -15.001 5.601 1.00 0.00 C ATOM 1015 O ALA A 68 1.851 -14.492 4.544 1.00 0.00 O ATOM 1016 CB ALA A 68 3.372 -15.826 7.015 1.00 0.00 C ATOM 0 H ALA A 68 1.796 -15.302 8.866 1.00 0.00 H new ATOM 0 HA ALA A 68 2.720 -13.795 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.018 -15.779 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.960 -15.625 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.929 -16.820 7.087 1.00 0.00 H new ATOM 1022 N ALA A 69 0.393 -15.760 5.698 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.447 -16.041 4.540 1.00 0.00 C ATOM 1024 C ALA A 69 -1.306 -14.834 4.179 1.00 0.00 C ATOM 1025 O ALA A 69 -1.411 -14.463 3.011 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.325 -17.254 4.809 1.00 0.00 C ATOM 0 H ALA A 69 0.074 -16.190 6.566 1.00 0.00 H new ATOM 0 HA ALA A 69 0.204 -16.257 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.947 -17.453 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.696 -18.121 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.962 -17.058 5.672 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.918 -14.224 5.189 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.769 -13.060 4.977 1.00 0.00 C ATOM 1034 C ASN A 70 -1.939 -11.848 4.564 1.00 0.00 C ATOM 1035 O ASN A 70 -2.398 -11.000 3.798 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.560 -12.742 6.247 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.212 -13.973 6.847 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.158 -15.060 6.271 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.832 -13.808 8.008 1.00 0.00 N ATOM 0 H ASN A 70 -1.840 -14.517 6.163 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.466 -13.292 4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.894 -12.292 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.328 -12.003 6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.289 -14.600 8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.852 -12.889 8.450 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.715 -11.774 5.076 1.00 0.00 N ATOM 1047 CA LEU A 71 0.180 -10.667 4.761 1.00 0.00 C ATOM 1048 C LEU A 71 0.538 -10.660 3.277 1.00 0.00 C ATOM 1049 O LEU A 71 0.707 -9.601 2.674 1.00 0.00 O ATOM 1050 CB LEU A 71 1.454 -10.758 5.603 1.00 0.00 C ATOM 1051 CG LEU A 71 1.251 -10.955 7.106 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.526 -11.473 7.753 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.811 -9.652 7.758 1.00 0.00 C ATOM 0 H LEU A 71 -0.320 -12.468 5.711 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.338 -9.737 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.057 -11.585 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.032 -9.847 5.451 1.00 0.00 H new ATOM 0 HG LEU A 71 0.466 -11.697 7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.363 -11.607 8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.799 -12.428 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.331 -10.755 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.671 -9.809 8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.575 -8.890 7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.128 -9.322 7.314 1.00 0.00 H new ATOM 1065 N ASP A 72 0.646 -11.850 2.696 1.00 0.00 N ATOM 1066 CA ASP A 72 0.979 -11.982 1.282 1.00 0.00 C ATOM 1067 C ASP A 72 -0.125 -11.398 0.407 1.00 0.00 C ATOM 1068 O ASP A 72 0.116 -10.493 -0.391 1.00 0.00 O ATOM 1069 CB ASP A 72 1.207 -13.451 0.925 1.00 0.00 C ATOM 1070 CG ASP A 72 2.639 -13.890 1.164 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.534 -13.019 1.165 1.00 0.00 O ATOM 1072 OD2 ASP A 72 2.865 -15.105 1.348 1.00 0.00 O ATOM 0 H ASP A 72 0.508 -12.736 3.182 1.00 0.00 H new ATOM 0 HA ASP A 72 1.897 -11.425 1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.536 -14.074 1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.951 -13.611 -0.122 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.336 -11.924 0.561 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.476 -11.457 -0.216 1.00 0.00 C ATOM 1079 C ARG A 73 -2.750 -9.979 0.053 1.00 0.00 C ATOM 1080 O ARG A 73 -3.040 -9.215 -0.866 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.720 -12.284 0.113 1.00 0.00 C ATOM 1082 CG ARG A 73 -4.032 -12.349 1.600 1.00 0.00 C ATOM 1083 CD ARG A 73 -5.272 -13.184 1.873 1.00 0.00 C ATOM 1084 NE ARG A 73 -5.675 -13.125 3.276 1.00 0.00 N ATOM 1085 CZ ARG A 73 -6.537 -13.969 3.829 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -7.085 -14.935 3.103 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -6.854 -13.851 5.113 1.00 0.00 N ATOM 0 H ARG A 73 -1.552 -12.674 1.217 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.236 -11.579 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.577 -11.861 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.583 -13.297 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.181 -12.774 2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.179 -11.340 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.091 -12.832 1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.080 -14.220 1.595 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.272 -12.395 3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.844 -15.031 2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.747 -15.582 3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.435 -13.111 5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.517 -14.501 5.536 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.656 -9.587 1.319 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.892 -8.203 1.708 1.00 0.00 C ATOM 1103 C ALA A 74 -1.827 -7.279 1.127 1.00 0.00 C ATOM 1104 O ALA A 74 -2.136 -6.349 0.384 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.929 -8.080 3.225 1.00 0.00 C ATOM 0 H ALA A 74 -2.418 -10.208 2.092 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.858 -7.899 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.106 -7.041 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.731 -8.703 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.976 -8.409 3.640 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.570 -7.543 1.471 1.00 0.00 N ATOM 1112 CA LYS A 75 0.542 -6.737 0.982 1.00 0.00 C ATOM 1113 C LYS A 75 0.470 -6.570 -0.532 1.00 0.00 C ATOM 1114 O LYS A 75 0.819 -5.518 -1.067 1.00 0.00 O ATOM 1115 CB LYS A 75 1.875 -7.380 1.373 1.00 0.00 C ATOM 1116 CG LYS A 75 3.071 -6.464 1.182 1.00 0.00 C ATOM 1117 CD LYS A 75 4.380 -7.204 1.397 1.00 0.00 C ATOM 1118 CE LYS A 75 5.579 -6.298 1.164 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.865 -6.994 1.444 1.00 0.00 N ATOM 0 H LYS A 75 -0.297 -8.309 2.087 1.00 0.00 H new ATOM 0 HA LYS A 75 0.473 -5.751 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.827 -7.689 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.021 -8.283 0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.051 -6.043 0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.006 -5.629 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.413 -7.599 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.431 -8.058 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.574 -5.947 0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.497 -5.417 1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.657 -6.342 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.882 -7.307 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.956 -7.820 0.819 1.00 0.00 H new ATOM 1133 N ALA A 76 0.014 -7.614 -1.217 1.00 0.00 N ATOM 1134 CA ALA A 76 -0.107 -7.582 -2.669 1.00 0.00 C ATOM 1135 C ALA A 76 -1.073 -6.489 -3.114 1.00 0.00 C ATOM 1136 O ALA A 76 -0.860 -5.838 -4.137 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.562 -8.936 -3.191 1.00 0.00 C ATOM 0 H ALA A 76 -0.278 -8.493 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 76 0.874 -7.356 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.648 -8.897 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.167 -9.697 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.531 -9.186 -2.759 1.00 0.00 H new ATOM 1143 N GLY A 77 -2.137 -6.294 -2.341 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.120 -5.280 -2.673 1.00 0.00 C ATOM 1145 C GLY A 77 -2.576 -3.873 -2.522 1.00 0.00 C ATOM 1146 O GLY A 77 -2.760 -3.030 -3.400 1.00 0.00 O ATOM 0 H GLY A 77 -2.336 -6.821 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.457 -5.428 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.992 -5.400 -2.030 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.906 -3.618 -1.404 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.334 -2.302 -1.138 1.00 0.00 C ATOM 1152 C LEU A 78 -0.312 -1.926 -2.205 1.00 0.00 C ATOM 1153 O LEU A 78 -0.477 -0.936 -2.918 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.678 -2.279 0.244 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.352 -0.896 0.810 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.628 -0.098 1.036 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.437 -1.021 2.104 1.00 0.00 C ATOM 0 H LEU A 78 -1.745 -4.305 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.142 -1.571 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.337 -2.790 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.245 -2.856 0.195 1.00 0.00 H new ATOM 0 HG LEU A 78 0.262 -0.363 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.377 0.883 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.154 0.022 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.268 -0.627 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.660 -0.027 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.151 -1.573 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.369 -1.553 1.912 1.00 0.00 H new ATOM 1169 N LEU A 79 0.745 -2.725 -2.311 1.00 0.00 N ATOM 1170 CA LEU A 79 1.795 -2.479 -3.294 1.00 0.00 C ATOM 1171 C LEU A 79 1.199 -2.054 -4.633 1.00 0.00 C ATOM 1172 O LEU A 79 1.597 -1.040 -5.206 1.00 0.00 O ATOM 1173 CB LEU A 79 2.651 -3.732 -3.479 1.00 0.00 C ATOM 1174 CG LEU A 79 3.520 -4.134 -2.287 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.177 -5.483 -2.535 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.571 -3.069 -2.011 1.00 0.00 C ATOM 0 H LEU A 79 0.897 -3.548 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 79 2.423 -1.669 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.991 -4.566 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.300 -3.580 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 79 2.880 -4.222 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.791 -5.752 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.408 -6.241 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.804 -5.424 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.181 -3.371 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.207 -2.949 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.080 -2.122 -1.787 1.00 0.00 H new ATOM 1188 N GLU A 80 0.241 -2.835 -5.123 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.409 -2.539 -6.394 1.00 0.00 C ATOM 1190 C GLU A 80 -1.147 -1.204 -6.329 1.00 0.00 C ATOM 1191 O GLU A 80 -1.264 -0.497 -7.330 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.386 -3.656 -6.764 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.735 -4.815 -7.500 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.692 -5.519 -8.443 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -2.737 -6.011 -7.969 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -1.395 -5.577 -9.655 1.00 0.00 O ATOM 0 H GLU A 80 -0.102 -3.676 -4.659 1.00 0.00 H new ATOM 0 HA GLU A 80 0.362 -2.472 -7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.856 -4.032 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.180 -3.242 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.121 -4.447 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.353 -5.533 -6.774 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.643 -0.866 -5.142 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.371 0.381 -4.945 1.00 0.00 C ATOM 1205 C ARG A 81 -1.439 1.582 -5.083 1.00 0.00 C ATOM 1206 O ARG A 81 -1.825 2.623 -5.614 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.039 0.396 -3.569 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.320 1.212 -3.523 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.527 0.379 -3.923 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.750 1.176 -3.976 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.499 1.443 -2.912 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -7.152 0.980 -1.719 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.598 2.175 -3.039 1.00 0.00 N ATOM 0 H ARG A 81 -1.553 -1.439 -4.303 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.140 0.448 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.260 -0.629 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.337 0.796 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.466 1.606 -2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.231 2.069 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.347 -0.074 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.656 -0.436 -3.211 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.045 1.548 -4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.308 0.417 -1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.729 1.187 -0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.869 2.534 -3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.172 2.379 -2.221 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.211 1.429 -4.599 1.00 0.00 N ATOM 1228 CA VAL A 82 0.778 2.499 -4.668 1.00 0.00 C ATOM 1229 C VAL A 82 1.266 2.705 -6.098 1.00 0.00 C ATOM 1230 O VAL A 82 1.488 3.835 -6.533 1.00 0.00 O ATOM 1231 CB VAL A 82 1.987 2.206 -3.761 1.00 0.00 C ATOM 1232 CG1 VAL A 82 3.029 3.306 -3.888 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.542 2.047 -2.315 1.00 0.00 C ATOM 0 H VAL A 82 0.123 0.574 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 82 0.286 3.408 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 82 2.441 1.269 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.876 3.081 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.369 3.367 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.590 4.259 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.409 1.840 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.062 2.966 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.835 1.220 -2.241 1.00 0.00 H new ATOM 1243 N LYS A 83 1.432 1.605 -6.824 1.00 0.00 N ATOM 1244 CA LYS A 83 1.893 1.663 -8.206 1.00 0.00 C ATOM 1245 C LYS A 83 0.825 2.266 -9.111 1.00 0.00 C ATOM 1246 O LYS A 83 1.132 3.039 -10.018 1.00 0.00 O ATOM 1247 CB LYS A 83 2.264 0.261 -8.701 1.00 0.00 C ATOM 1248 CG LYS A 83 3.440 -0.352 -7.961 1.00 0.00 C ATOM 1249 CD LYS A 83 3.616 -1.820 -8.315 1.00 0.00 C ATOM 1250 CE LYS A 83 4.747 -2.453 -7.519 1.00 0.00 C ATOM 1251 NZ LYS A 83 4.668 -3.941 -7.532 1.00 0.00 N ATOM 0 H LYS A 83 1.254 0.662 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 83 2.776 2.300 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.398 -0.393 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.500 0.310 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.351 0.194 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.288 -0.251 -6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.687 -2.356 -8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.822 -1.916 -9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.704 -2.136 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.711 -2.096 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.456 -4.335 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.765 -4.244 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.728 -4.283 -8.512 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.431 1.909 -8.858 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.544 2.417 -9.650 1.00 0.00 C ATOM 1267 C GLU A 84 -1.903 3.840 -9.234 1.00 0.00 C ATOM 1268 O GLU A 84 -2.047 4.728 -10.076 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.764 1.506 -9.500 1.00 0.00 C ATOM 1270 CG GLU A 84 -2.809 0.377 -10.516 1.00 0.00 C ATOM 1271 CD GLU A 84 -4.143 -0.343 -10.528 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -4.785 -0.424 -9.460 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -4.546 -0.827 -11.607 1.00 0.00 O ATOM 0 H GLU A 84 -0.702 1.270 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.236 2.430 -10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.768 1.081 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.669 2.106 -9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.608 0.779 -11.509 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.016 -0.338 -10.295 1.00 0.00 H new ATOM 1280 N LEU A 85 -2.048 4.050 -7.930 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.392 5.364 -7.400 1.00 0.00 C ATOM 1282 C LEU A 85 -1.418 6.426 -7.902 1.00 0.00 C ATOM 1283 O LEU A 85 -1.826 7.424 -8.495 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.388 5.336 -5.871 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.583 4.647 -5.209 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.291 4.362 -3.745 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.835 5.500 -5.349 1.00 0.00 C ATOM 0 H LEU A 85 -1.933 3.326 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.392 5.619 -7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.477 4.838 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.340 6.363 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.756 3.697 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.152 3.872 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.420 3.711 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.091 5.299 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.675 4.994 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.673 6.465 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.055 5.652 -6.406 1.00 0.00 H new