USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=6 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 -71:sc= 0.0206 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 28 HIS : no HD1:sc= -5.57! C(o=-5.6!,f=-6.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -160:sc= -0.269 (180deg=-1.18) USER MOD Single : A 43 MET CE :methyl 143:sc= 0 (180deg=-1.15) USER MOD Single : A 49 ASN : amide:sc= -0.0457 K(o=-0.046,f=-1.4!) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0941 K(o=-0.094,f=-1.1) 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 0.273 -17.801 15.592 1.00 0.00 N ATOM 177 CA VAL A 15 0.390 -16.392 15.948 1.00 0.00 C ATOM 178 C VAL A 15 0.775 -15.550 14.736 1.00 0.00 C ATOM 179 O VAL A 15 1.690 -15.884 13.982 1.00 0.00 O ATOM 180 CB VAL A 15 1.434 -16.177 17.060 1.00 0.00 C ATOM 181 CG1 VAL A 15 1.607 -14.695 17.352 1.00 0.00 C ATOM 182 CG2 VAL A 15 1.032 -16.933 18.319 1.00 0.00 C ATOM 0 HA VAL A 15 -0.587 -16.076 16.312 1.00 0.00 H new ATOM 0 HB VAL A 15 2.391 -16.569 16.717 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.348 -14.564 18.140 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.942 -14.183 16.450 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.655 -14.274 17.676 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.780 -16.771 19.095 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.064 -16.572 18.667 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.964 -17.998 18.098 1.00 0.00 H new ATOM 192 N PRO A 16 0.063 -14.430 14.542 1.00 0.00 N ATOM 193 CA PRO A 16 0.312 -13.517 13.424 1.00 0.00 C ATOM 194 C PRO A 16 1.632 -12.768 13.571 1.00 0.00 C ATOM 195 O PRO A 16 2.341 -12.926 14.566 1.00 0.00 O ATOM 196 CB PRO A 16 -0.867 -12.542 13.492 1.00 0.00 C ATOM 197 CG PRO A 16 -1.299 -12.570 14.918 1.00 0.00 C ATOM 198 CD PRO A 16 -1.042 -13.970 15.401 1.00 0.00 C ATOM 0 HA PRO A 16 0.390 -14.047 12.475 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.569 -11.539 13.188 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.674 -12.850 12.827 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.740 -11.844 15.509 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.354 -12.313 15.011 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.765 -13.987 16.455 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.924 -14.601 15.293 1.00 0.00 H new ATOM 206 N VAL A 17 1.958 -11.950 12.574 1.00 0.00 N ATOM 207 CA VAL A 17 3.193 -11.176 12.593 1.00 0.00 C ATOM 208 C VAL A 17 3.013 -9.838 11.886 1.00 0.00 C ATOM 209 O VAL A 17 2.038 -9.630 11.163 1.00 0.00 O ATOM 210 CB VAL A 17 4.350 -11.945 11.927 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.978 -12.921 12.909 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.858 -12.670 10.683 1.00 0.00 C ATOM 0 H VAL A 17 1.383 -11.807 11.743 1.00 0.00 H new ATOM 0 HA VAL A 17 3.440 -11.001 13.640 1.00 0.00 H new ATOM 0 HB VAL A 17 5.115 -11.229 11.626 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.793 -13.455 12.420 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.366 -12.374 13.768 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.226 -13.635 13.244 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.687 -13.209 10.224 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.075 -13.376 10.959 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.459 -11.945 9.973 1.00 0.00 H new ATOM 222 N THR A 18 3.961 -8.929 12.098 1.00 0.00 N ATOM 223 CA THR A 18 3.907 -7.610 11.482 1.00 0.00 C ATOM 224 C THR A 18 4.910 -7.495 10.340 1.00 0.00 C ATOM 225 O THR A 18 6.041 -7.972 10.444 1.00 0.00 O ATOM 226 CB THR A 18 4.188 -6.498 12.510 1.00 0.00 C ATOM 227 OG1 THR A 18 3.326 -6.649 13.643 1.00 0.00 O ATOM 228 CG2 THR A 18 3.983 -5.124 11.890 1.00 0.00 C ATOM 0 H THR A 18 4.775 -9.084 12.692 1.00 0.00 H new ATOM 0 HA THR A 18 2.898 -7.486 11.090 1.00 0.00 H new ATOM 0 HB THR A 18 5.226 -6.584 12.830 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.407 -6.423 13.388 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.187 -4.355 12.635 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.661 -5.001 11.046 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.953 -5.031 11.545 1.00 0.00 H new ATOM 236 N ILE A 19 4.489 -6.862 9.250 1.00 0.00 N ATOM 237 CA ILE A 19 5.353 -6.683 8.089 1.00 0.00 C ATOM 238 C ILE A 19 5.587 -5.205 7.800 1.00 0.00 C ATOM 239 O ILE A 19 5.093 -4.336 8.518 1.00 0.00 O ATOM 240 CB ILE A 19 4.756 -7.352 6.837 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.361 -6.793 6.549 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.701 -8.861 7.017 1.00 0.00 C ATOM 243 CD1 ILE A 19 2.894 -7.036 5.131 1.00 0.00 C ATOM 0 H ILE A 19 3.555 -6.465 9.146 1.00 0.00 H new ATOM 0 HA ILE A 19 6.305 -7.158 8.327 1.00 0.00 H new ATOM 0 HB ILE A 19 5.398 -7.131 5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.648 -7.243 7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.361 -5.721 6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.277 -9.319 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.708 -9.245 7.178 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.079 -9.102 7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.898 -6.613 4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.585 -6.562 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.862 -8.108 4.937 1.00 0.00 H new ATOM 255 N GLU A 20 6.342 -4.926 6.742 1.00 0.00 N ATOM 256 CA GLU A 20 6.641 -3.551 6.358 1.00 0.00 C ATOM 257 C GLU A 20 6.423 -3.346 4.861 1.00 0.00 C ATOM 258 O GLU A 20 6.936 -4.104 4.038 1.00 0.00 O ATOM 259 CB GLU A 20 8.083 -3.197 6.728 1.00 0.00 C ATOM 260 CG GLU A 20 8.236 -2.673 8.146 1.00 0.00 C ATOM 261 CD GLU A 20 9.674 -2.345 8.495 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.367 -1.740 7.650 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.108 -2.694 9.613 1.00 0.00 O ATOM 0 H GLU A 20 6.758 -5.633 6.136 1.00 0.00 H new ATOM 0 HA GLU A 20 5.963 -2.893 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.708 -4.082 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.455 -2.447 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.624 -1.779 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.857 -3.417 8.847 1.00 0.00 H new ATOM 270 N VAL A 21 5.659 -2.315 4.517 1.00 0.00 N ATOM 271 CA VAL A 21 5.373 -2.008 3.121 1.00 0.00 C ATOM 272 C VAL A 21 5.901 -0.628 2.742 1.00 0.00 C ATOM 273 O VAL A 21 5.729 0.337 3.484 1.00 0.00 O ATOM 274 CB VAL A 21 3.861 -2.064 2.833 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.604 -2.127 1.334 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.226 -3.251 3.540 1.00 0.00 C ATOM 0 H VAL A 21 5.227 -1.678 5.186 1.00 0.00 H new ATOM 0 HA VAL A 21 5.878 -2.764 2.520 1.00 0.00 H new ATOM 0 HB VAL A 21 3.403 -1.153 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.530 -2.166 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.022 -1.241 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.075 -3.019 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.158 -3.274 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.687 -4.174 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.377 -3.158 4.615 1.00 0.00 H new ATOM 286 N GLU A 22 6.544 -0.545 1.581 1.00 0.00 N ATOM 287 CA GLU A 22 7.098 0.716 1.104 1.00 0.00 C ATOM 288 C GLU A 22 6.018 1.569 0.444 1.00 0.00 C ATOM 289 O GLU A 22 5.645 1.336 -0.706 1.00 0.00 O ATOM 290 CB GLU A 22 8.236 0.457 0.115 1.00 0.00 C ATOM 291 CG GLU A 22 9.554 0.104 0.782 1.00 0.00 C ATOM 292 CD GLU A 22 10.479 -0.675 -0.132 1.00 0.00 C ATOM 293 OE1 GLU A 22 9.974 -1.480 -0.942 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.709 -0.479 -0.038 1.00 0.00 O ATOM 0 H GLU A 22 6.694 -1.336 0.954 1.00 0.00 H new ATOM 0 HA GLU A 22 7.491 1.260 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.948 -0.355 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.377 1.343 -0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.052 1.019 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.357 -0.482 1.679 1.00 0.00 H new ATOM 301 N VAL A 23 5.520 2.558 1.180 1.00 0.00 N ATOM 302 CA VAL A 23 4.484 3.446 0.668 1.00 0.00 C ATOM 303 C VAL A 23 4.722 4.884 1.117 1.00 0.00 C ATOM 304 O VAL A 23 4.991 5.159 2.286 1.00 0.00 O ATOM 305 CB VAL A 23 3.084 3.000 1.128 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.026 3.982 0.648 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.783 1.594 0.631 1.00 0.00 C ATOM 0 H VAL A 23 5.818 2.764 2.133 1.00 0.00 H new ATOM 0 HA VAL A 23 4.533 3.395 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 23 3.066 2.987 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.043 3.650 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.234 4.970 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.041 4.030 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.790 1.295 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.820 1.578 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.524 0.901 1.029 1.00 0.00 H new ATOM 317 N PRO A 24 4.619 5.825 0.166 1.00 0.00 N ATOM 318 CA PRO A 24 4.817 7.251 0.440 1.00 0.00 C ATOM 319 C PRO A 24 3.692 7.841 1.284 1.00 0.00 C ATOM 320 O PRO A 24 2.521 7.520 1.087 1.00 0.00 O ATOM 321 CB PRO A 24 4.827 7.882 -0.954 1.00 0.00 C ATOM 322 CG PRO A 24 4.039 6.943 -1.801 1.00 0.00 C ATOM 323 CD PRO A 24 4.301 5.569 -1.249 1.00 0.00 C ATOM 0 HA PRO A 24 5.727 7.434 1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.379 8.875 -0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.844 7.996 -1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.976 7.182 -1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.345 7.009 -2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.431 4.921 -1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.127 5.080 -1.764 1.00 0.00 H new ATOM 331 N PHE A 25 4.056 8.707 2.225 1.00 0.00 N ATOM 332 CA PHE A 25 3.077 9.342 3.099 1.00 0.00 C ATOM 333 C PHE A 25 2.066 10.148 2.288 1.00 0.00 C ATOM 334 O PHE A 25 0.920 10.323 2.705 1.00 0.00 O ATOM 335 CB PHE A 25 3.778 10.252 4.110 1.00 0.00 C ATOM 336 CG PHE A 25 2.842 10.880 5.102 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.918 11.830 4.696 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.886 10.521 6.440 1.00 0.00 C ATOM 339 CE1 PHE A 25 1.055 12.410 5.607 1.00 0.00 C ATOM 340 CE2 PHE A 25 2.026 11.098 7.354 1.00 0.00 C ATOM 341 CZ PHE A 25 1.110 12.044 6.937 1.00 0.00 C ATOM 0 H PHE A 25 5.022 8.985 2.401 1.00 0.00 H new ATOM 0 HA PHE A 25 2.544 8.557 3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.529 9.673 4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.306 11.039 3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.872 12.120 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.600 9.782 6.772 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.339 13.149 5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.070 10.810 8.394 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.438 12.497 7.651 1.00 0.00 H new ATOM 351 N ASP A 26 2.499 10.635 1.131 1.00 0.00 N ATOM 352 CA ASP A 26 1.632 11.422 0.262 1.00 0.00 C ATOM 353 C ASP A 26 0.436 10.598 -0.204 1.00 0.00 C ATOM 354 O ASP A 26 -0.644 11.137 -0.454 1.00 0.00 O ATOM 355 CB ASP A 26 2.416 11.934 -0.948 1.00 0.00 C ATOM 356 CG ASP A 26 3.272 10.855 -1.581 1.00 0.00 C ATOM 357 OD1 ASP A 26 2.709 9.827 -2.009 1.00 0.00 O ATOM 358 OD2 ASP A 26 4.507 11.039 -1.647 1.00 0.00 O ATOM 0 H ASP A 26 3.444 10.499 0.773 1.00 0.00 H new ATOM 0 HA ASP A 26 1.263 12.274 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.719 12.323 -1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.052 12.764 -0.641 1.00 0.00 H new ATOM 363 N LEU A 27 0.635 9.290 -0.320 1.00 0.00 N ATOM 364 CA LEU A 27 -0.427 8.390 -0.757 1.00 0.00 C ATOM 365 C LEU A 27 -1.283 7.943 0.424 1.00 0.00 C ATOM 366 O LEU A 27 -2.447 7.578 0.258 1.00 0.00 O ATOM 367 CB LEU A 27 0.169 7.169 -1.459 1.00 0.00 C ATOM 368 CG LEU A 27 0.711 7.404 -2.870 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.184 6.097 -3.485 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.350 8.054 -3.747 1.00 0.00 C ATOM 0 H LEU A 27 1.522 8.829 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.062 8.931 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.978 6.778 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.596 6.394 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 27 1.564 8.080 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.566 6.284 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.976 5.671 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.350 5.397 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.053 8.214 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.222 7.402 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.642 9.012 -3.316 1.00 0.00 H new ATOM 382 N HIS A 28 -0.699 7.978 1.618 1.00 0.00 N ATOM 383 CA HIS A 28 -1.410 7.580 2.828 1.00 0.00 C ATOM 384 C HIS A 28 -2.779 8.246 2.899 1.00 0.00 C ATOM 385 O HIS A 28 -3.792 7.583 3.125 1.00 0.00 O ATOM 386 CB HIS A 28 -0.590 7.940 4.068 1.00 0.00 C ATOM 387 CG HIS A 28 0.656 7.123 4.222 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.397 7.092 5.384 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.289 6.302 3.351 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.433 6.289 5.221 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.391 5.797 3.996 1.00 0.00 N ATOM 0 H HIS A 28 0.264 8.278 1.773 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.553 6.500 2.796 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.319 8.995 4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.211 7.810 4.954 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.984 6.085 2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.187 6.072 5.963 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.067 5.148 3.594 1.00 0.00 H new ATOM 399 N ARG A 29 -2.804 9.560 2.702 1.00 0.00 N ATOM 400 CA ARG A 29 -4.050 10.317 2.745 1.00 0.00 C ATOM 401 C ARG A 29 -5.061 9.755 1.749 1.00 0.00 C ATOM 402 O ARG A 29 -6.271 9.905 1.926 1.00 0.00 O ATOM 403 CB ARG A 29 -3.786 11.792 2.442 1.00 0.00 C ATOM 404 CG ARG A 29 -3.015 12.022 1.153 1.00 0.00 C ATOM 405 CD ARG A 29 -2.938 13.500 0.805 1.00 0.00 C ATOM 406 NE ARG A 29 -2.106 14.242 1.751 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.679 15.481 1.537 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.003 16.116 0.419 1.00 0.00 N ATOM 409 NH2 ARG A 29 -0.925 16.089 2.445 1.00 0.00 N ATOM 0 H ARG A 29 -1.975 10.123 2.511 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.466 10.228 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.739 12.318 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.230 12.230 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.008 11.618 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.496 11.480 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.534 13.615 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.942 13.923 0.796 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.839 13.783 2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.583 15.653 -0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.673 17.068 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.674 15.604 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.597 17.041 2.281 1.00 0.00 H new ATOM 423 N TYR A 30 -4.558 9.109 0.704 1.00 0.00 N ATOM 424 CA TYR A 30 -5.416 8.528 -0.322 1.00 0.00 C ATOM 425 C TYR A 30 -5.756 7.078 0.010 1.00 0.00 C ATOM 426 O TYR A 30 -6.831 6.586 -0.333 1.00 0.00 O ATOM 427 CB TYR A 30 -4.736 8.604 -1.690 1.00 0.00 C ATOM 428 CG TYR A 30 -4.247 9.990 -2.047 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.961 11.119 -1.667 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.070 10.168 -2.764 1.00 0.00 C ATOM 431 CE1 TYR A 30 -4.518 12.386 -1.992 1.00 0.00 C ATOM 432 CE2 TYR A 30 -2.620 11.432 -3.092 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.347 12.538 -2.704 1.00 0.00 C ATOM 434 OH TYR A 30 -2.903 13.800 -3.028 1.00 0.00 O ATOM 0 H TYR A 30 -3.560 8.974 0.544 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.342 9.102 -0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.892 7.915 -1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.437 8.267 -2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.878 11.004 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.498 9.304 -3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.086 13.254 -1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.703 11.554 -3.650 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.064 13.733 -3.529 1.00 0.00 H new ATOM 444 N VAL A 31 -4.831 6.399 0.680 1.00 0.00 N ATOM 445 CA VAL A 31 -5.031 5.006 1.061 1.00 0.00 C ATOM 446 C VAL A 31 -6.039 4.886 2.199 1.00 0.00 C ATOM 447 O VAL A 31 -7.005 4.128 2.109 1.00 0.00 O ATOM 448 CB VAL A 31 -3.708 4.345 1.491 1.00 0.00 C ATOM 449 CG1 VAL A 31 -3.953 2.924 1.973 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.707 4.364 0.345 1.00 0.00 C ATOM 0 H VAL A 31 -3.935 6.791 0.970 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.417 4.491 0.181 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.288 4.916 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.007 2.473 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.633 2.941 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.395 2.338 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.778 3.893 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.116 3.818 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.509 5.395 0.052 1.00 0.00 H new ATOM 460 N ILE A 32 -5.807 5.641 3.268 1.00 0.00 N ATOM 461 CA ILE A 32 -6.696 5.620 4.423 1.00 0.00 C ATOM 462 C ILE A 32 -8.121 5.992 4.028 1.00 0.00 C ATOM 463 O ILE A 32 -9.064 5.247 4.290 1.00 0.00 O ATOM 464 CB ILE A 32 -6.214 6.586 5.522 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.759 6.285 5.891 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.108 6.483 6.748 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.091 7.397 6.669 1.00 0.00 C ATOM 0 H ILE A 32 -5.012 6.274 3.358 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.682 4.602 4.812 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.271 7.605 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.724 5.369 6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.192 6.099 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.754 7.172 7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.132 6.739 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.080 5.464 7.134 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.063 7.115 6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.094 8.310 6.074 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.634 7.568 7.598 1.00 0.00 H new ATOM 550 N ILE A 39 -9.177 1.605 3.414 1.00 0.00 N ATOM 551 CA ILE A 39 -8.362 0.566 4.033 1.00 0.00 C ATOM 552 C ILE A 39 -9.234 -0.491 4.703 1.00 0.00 C ATOM 553 O ILE A 39 -8.922 -1.680 4.669 1.00 0.00 O ATOM 554 CB ILE A 39 -7.397 1.157 5.078 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.306 1.978 4.389 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.782 0.046 5.916 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.310 2.587 5.352 1.00 0.00 C ATOM 0 HA ILE A 39 -7.782 0.102 3.235 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.959 1.817 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.774 1.340 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.773 2.774 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.102 0.478 6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.572 -0.501 6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.231 -0.636 5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.565 3.155 4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.831 3.251 6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.816 1.794 5.914 1.00 0.00 H new ATOM 569 N ARG A 40 -10.331 -0.047 5.308 1.00 0.00 N ATOM 570 CA ARG A 40 -11.249 -0.955 5.985 1.00 0.00 C ATOM 571 C ARG A 40 -11.691 -2.078 5.051 1.00 0.00 C ATOM 572 O ARG A 40 -11.850 -3.224 5.473 1.00 0.00 O ATOM 573 CB ARG A 40 -12.473 -0.191 6.494 1.00 0.00 C ATOM 574 CG ARG A 40 -13.532 -1.084 7.120 1.00 0.00 C ATOM 575 CD ARG A 40 -14.883 -0.387 7.183 1.00 0.00 C ATOM 576 NE ARG A 40 -15.961 -1.312 7.519 1.00 0.00 N ATOM 577 CZ ARG A 40 -17.214 -0.932 7.739 1.00 0.00 C ATOM 578 NH1 ARG A 40 -17.545 0.349 7.658 1.00 0.00 N ATOM 579 NH2 ARG A 40 -18.140 -1.834 8.041 1.00 0.00 N ATOM 0 H ARG A 40 -10.605 0.935 5.343 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.725 -1.395 6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.151 0.546 7.229 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.918 0.359 5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.622 -2.003 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.221 -1.369 8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.845 0.410 7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.094 0.082 6.222 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.739 -2.305 7.589 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.836 1.045 7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.508 0.639 7.827 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.889 -2.821 8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.102 -1.540 8.210 1.00 0.00 H new ATOM 593 N LYS A 41 -11.885 -1.742 3.781 1.00 0.00 N ATOM 594 CA LYS A 41 -12.308 -2.722 2.787 1.00 0.00 C ATOM 595 C LYS A 41 -11.336 -3.896 2.733 1.00 0.00 C ATOM 596 O LYS A 41 -11.743 -5.055 2.816 1.00 0.00 O ATOM 597 CB LYS A 41 -12.408 -2.066 1.407 1.00 0.00 C ATOM 598 CG LYS A 41 -12.611 -3.060 0.276 1.00 0.00 C ATOM 599 CD LYS A 41 -14.061 -3.502 0.174 1.00 0.00 C ATOM 600 CE LYS A 41 -14.178 -4.896 -0.422 1.00 0.00 C ATOM 601 NZ LYS A 41 -13.964 -4.890 -1.895 1.00 0.00 N ATOM 0 H LYS A 41 -11.756 -0.799 3.415 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.289 -3.098 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.236 -1.357 1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.499 -1.494 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.300 -2.608 -0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.975 -3.930 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.517 -3.489 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.616 -2.794 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.447 -5.554 0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.164 -5.304 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.052 -5.859 -2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.677 -4.282 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.013 -4.525 -2.106 1.00 0.00 H new ATOM 615 N MET A 42 -10.050 -3.589 2.596 1.00 0.00 N ATOM 616 CA MET A 42 -9.020 -4.620 2.534 1.00 0.00 C ATOM 617 C MET A 42 -8.947 -5.393 3.848 1.00 0.00 C ATOM 618 O MET A 42 -9.129 -6.610 3.873 1.00 0.00 O ATOM 619 CB MET A 42 -7.660 -3.995 2.220 1.00 0.00 C ATOM 620 CG MET A 42 -7.705 -2.978 1.091 1.00 0.00 C ATOM 621 SD MET A 42 -6.159 -2.897 0.167 1.00 0.00 S ATOM 622 CE MET A 42 -4.965 -3.101 1.486 1.00 0.00 C ATOM 0 H MET A 42 -9.696 -2.635 2.526 1.00 0.00 H new ATOM 0 HA MET A 42 -9.284 -5.315 1.737 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.275 -3.512 3.118 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.958 -4.786 1.958 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.518 -3.232 0.410 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.930 -1.994 1.502 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.994 -2.729 1.159 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.292 -2.541 2.362 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.881 -4.157 1.741 1.00 0.00 H new ATOM 632 N MET A 43 -8.677 -4.678 4.935 1.00 0.00 N ATOM 633 CA MET A 43 -8.581 -5.298 6.252 1.00 0.00 C ATOM 634 C MET A 43 -9.670 -6.350 6.439 1.00 0.00 C ATOM 635 O MET A 43 -9.488 -7.322 7.172 1.00 0.00 O ATOM 636 CB MET A 43 -8.686 -4.236 7.348 1.00 0.00 C ATOM 637 CG MET A 43 -7.355 -3.596 7.703 1.00 0.00 C ATOM 638 SD MET A 43 -7.338 -2.905 9.369 1.00 0.00 S ATOM 639 CE MET A 43 -8.210 -1.363 9.106 1.00 0.00 C ATOM 0 H MET A 43 -8.521 -3.670 4.930 1.00 0.00 H new ATOM 0 HA MET A 43 -7.611 -5.789 6.325 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.379 -3.459 7.024 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.112 -4.690 8.243 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.563 -4.340 7.615 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.133 -2.807 6.984 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.838 -1.148 9.970 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.490 -0.556 8.972 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.833 -1.445 8.216 1.00 0.00 H new ATOM 649 N ASP A 44 -10.801 -6.149 5.772 1.00 0.00 N ATOM 650 CA ASP A 44 -11.919 -7.080 5.865 1.00 0.00 C ATOM 651 C ASP A 44 -11.813 -8.164 4.798 1.00 0.00 C ATOM 652 O ASP A 44 -12.233 -9.301 5.011 1.00 0.00 O ATOM 653 CB ASP A 44 -13.246 -6.333 5.721 1.00 0.00 C ATOM 654 CG ASP A 44 -13.797 -5.869 7.054 1.00 0.00 C ATOM 655 OD1 ASP A 44 -14.153 -6.734 7.883 1.00 0.00 O ATOM 656 OD2 ASP A 44 -13.871 -4.641 7.271 1.00 0.00 O ATOM 0 H ASP A 44 -10.968 -5.349 5.161 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.883 -7.555 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.105 -5.471 5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.975 -6.983 5.236 1.00 0.00 H new ATOM 661 N GLU A 45 -11.250 -7.804 3.649 1.00 0.00 N ATOM 662 CA GLU A 45 -11.090 -8.747 2.547 1.00 0.00 C ATOM 663 C GLU A 45 -9.994 -9.761 2.854 1.00 0.00 C ATOM 664 O GLU A 45 -10.186 -10.967 2.696 1.00 0.00 O ATOM 665 CB GLU A 45 -10.763 -8.001 1.252 1.00 0.00 C ATOM 666 CG GLU A 45 -9.273 -7.845 0.999 1.00 0.00 C ATOM 667 CD GLU A 45 -8.974 -7.166 -0.323 1.00 0.00 C ATOM 668 OE1 GLU A 45 -8.926 -7.871 -1.354 1.00 0.00 O ATOM 669 OE2 GLU A 45 -8.787 -5.932 -0.329 1.00 0.00 O ATOM 0 H GLU A 45 -10.897 -6.867 3.457 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.031 -9.283 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.212 -8.533 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.223 -7.013 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.829 -7.266 1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.801 -8.827 1.014 1.00 0.00 H new ATOM 676 N PHE A 46 -8.842 -9.264 3.292 1.00 0.00 N ATOM 677 CA PHE A 46 -7.713 -10.126 3.620 1.00 0.00 C ATOM 678 C PHE A 46 -7.767 -10.564 5.081 1.00 0.00 C ATOM 679 O PHE A 46 -7.078 -11.499 5.485 1.00 0.00 O ATOM 680 CB PHE A 46 -6.393 -9.403 3.342 1.00 0.00 C ATOM 681 CG PHE A 46 -6.267 -8.910 1.929 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.974 -9.788 0.898 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.440 -7.568 1.631 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.857 -9.339 -0.404 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.325 -7.112 0.331 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.031 -7.998 -0.687 1.00 0.00 C ATOM 0 H PHE A 46 -8.666 -8.269 3.428 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.773 -11.014 2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.300 -8.557 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.565 -10.078 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.835 -10.837 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.667 -6.870 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.630 -10.035 -1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.465 -6.064 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.937 -7.643 -1.703 1.00 0.00 H new ATOM 696 N GLU A 47 -8.593 -9.879 5.867 1.00 0.00 N ATOM 697 CA GLU A 47 -8.736 -10.195 7.283 1.00 0.00 C ATOM 698 C GLU A 47 -7.441 -9.912 8.038 1.00 0.00 C ATOM 699 O GLU A 47 -7.021 -10.695 8.889 1.00 0.00 O ATOM 700 CB GLU A 47 -9.134 -11.662 7.462 1.00 0.00 C ATOM 701 CG GLU A 47 -10.393 -12.048 6.706 1.00 0.00 C ATOM 702 CD GLU A 47 -11.072 -13.273 7.289 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.560 -14.392 7.080 1.00 0.00 O ATOM 704 OE2 GLU A 47 -12.116 -13.111 7.955 1.00 0.00 O ATOM 0 H GLU A 47 -9.172 -9.103 5.547 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.521 -9.560 7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.312 -12.296 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.282 -11.863 8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.091 -11.210 6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.142 -12.239 5.663 1.00 0.00 H new ATOM 711 N VAL A 48 -6.811 -8.785 7.719 1.00 0.00 N ATOM 712 CA VAL A 48 -5.564 -8.396 8.366 1.00 0.00 C ATOM 713 C VAL A 48 -5.690 -7.027 9.024 1.00 0.00 C ATOM 714 O VAL A 48 -6.766 -6.431 9.039 1.00 0.00 O ATOM 715 CB VAL A 48 -4.396 -8.366 7.363 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.038 -9.776 6.917 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.744 -7.493 6.167 1.00 0.00 C ATOM 0 H VAL A 48 -7.145 -8.126 7.016 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.357 -9.145 9.130 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.526 -7.935 7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.211 -9.734 6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.744 -10.368 7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.902 -10.237 6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.908 -7.483 5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.628 -7.893 5.670 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.947 -6.477 6.505 1.00 0.00 H new ATOM 727 N ASN A 49 -4.582 -6.534 9.568 1.00 0.00 N ATOM 728 CA ASN A 49 -4.568 -5.233 10.228 1.00 0.00 C ATOM 729 C ASN A 49 -3.487 -4.335 9.636 1.00 0.00 C ATOM 730 O ASN A 49 -2.308 -4.691 9.624 1.00 0.00 O ATOM 731 CB ASN A 49 -4.339 -5.404 11.731 1.00 0.00 C ATOM 732 CG ASN A 49 -5.541 -6.004 12.434 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.583 -6.234 11.820 1.00 0.00 O ATOM 734 ND2 ASN A 49 -5.401 -6.262 13.729 1.00 0.00 N ATOM 0 H ASN A 49 -3.683 -7.015 9.565 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.537 -4.760 10.066 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.471 -6.042 11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.109 -4.435 12.173 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.175 -6.667 14.255 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.519 -6.055 14.198 1.00 0.00 H new ATOM 741 N ILE A 50 -3.896 -3.168 9.149 1.00 0.00 N ATOM 742 CA ILE A 50 -2.961 -2.218 8.558 1.00 0.00 C ATOM 743 C ILE A 50 -2.838 -0.964 9.415 1.00 0.00 C ATOM 744 O ILE A 50 -3.840 -0.367 9.811 1.00 0.00 O ATOM 745 CB ILE A 50 -3.394 -1.814 7.136 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.443 -3.042 6.225 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.446 -0.766 6.572 1.00 0.00 C ATOM 748 CD1 ILE A 50 -3.978 -2.748 4.841 1.00 0.00 C ATOM 0 H ILE A 50 -4.868 -2.858 9.152 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.993 -2.717 8.507 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.394 -1.383 7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.440 -3.459 6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.065 -3.806 6.691 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.765 -0.490 5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.458 0.117 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.435 -1.173 6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.984 -3.664 4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.994 -2.360 4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.343 -2.008 4.355 1.00 0.00 H new ATOM 760 N HIS A 51 -1.601 -0.567 9.698 1.00 0.00 N ATOM 761 CA HIS A 51 -1.345 0.620 10.508 1.00 0.00 C ATOM 762 C HIS A 51 -0.462 1.610 9.755 1.00 0.00 C ATOM 763 O HIS A 51 0.593 1.248 9.236 1.00 0.00 O ATOM 764 CB HIS A 51 -0.681 0.229 11.829 1.00 0.00 C ATOM 765 CG HIS A 51 -1.659 -0.074 12.923 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.808 0.721 14.039 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.540 -1.091 13.066 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.738 0.205 14.824 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.198 -0.896 14.256 1.00 0.00 N ATOM 0 H HIS A 51 -0.761 -1.049 9.379 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.301 1.099 10.719 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.050 -0.644 11.665 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.027 1.039 12.151 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.697 -1.905 12.373 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.066 0.614 15.768 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.923 -1.502 14.639 1.00 0.00 H new ATOM 777 N VAL A 52 -0.902 2.864 9.699 1.00 0.00 N ATOM 778 CA VAL A 52 -0.151 3.907 9.011 1.00 0.00 C ATOM 779 C VAL A 52 0.496 4.865 10.004 1.00 0.00 C ATOM 780 O VAL A 52 -0.102 5.256 11.006 1.00 0.00 O ATOM 781 CB VAL A 52 -1.055 4.709 8.054 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.269 5.834 7.396 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.668 3.792 7.007 1.00 0.00 C ATOM 0 H VAL A 52 -1.774 3.181 10.122 1.00 0.00 H new ATOM 0 HA VAL A 52 0.627 3.409 8.433 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.865 5.153 8.633 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.923 6.390 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.117 6.505 8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.562 5.414 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.303 4.375 6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.875 3.317 6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.266 3.026 7.500 1.00 0.00 H new ATOM 793 N PRO A 53 1.747 5.255 9.720 1.00 0.00 N ATOM 794 CA PRO A 53 2.504 6.174 10.576 1.00 0.00 C ATOM 795 C PRO A 53 1.948 7.593 10.537 1.00 0.00 C ATOM 796 O PRO A 53 1.671 8.132 9.465 1.00 0.00 O ATOM 797 CB PRO A 53 3.913 6.135 9.981 1.00 0.00 C ATOM 798 CG PRO A 53 3.712 5.747 8.557 1.00 0.00 C ATOM 799 CD PRO A 53 2.520 4.830 8.542 1.00 0.00 C ATOM 0 HA PRO A 53 2.462 5.881 11.625 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.404 7.105 10.062 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.543 5.415 10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.537 6.624 7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.595 5.246 8.161 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.943 4.936 7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.817 3.784 8.613 1.00 0.00 H new ATOM 807 N ALA A 54 1.787 8.195 11.711 1.00 0.00 N ATOM 808 CA ALA A 54 1.267 9.553 11.809 1.00 0.00 C ATOM 809 C ALA A 54 2.163 10.539 11.068 1.00 0.00 C ATOM 810 O ALA A 54 3.280 10.216 10.662 1.00 0.00 O ATOM 811 CB ALA A 54 1.124 9.959 13.268 1.00 0.00 C ATOM 0 H ALA A 54 2.009 7.763 12.608 1.00 0.00 H new ATOM 0 HA ALA A 54 0.283 9.574 11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.735 10.975 13.326 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.437 9.278 13.770 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.098 9.915 13.755 1.00 0.00 H new ATOM 817 N PRO A 55 1.665 11.771 10.885 1.00 0.00 N ATOM 818 CA PRO A 55 2.405 12.829 10.191 1.00 0.00 C ATOM 819 C PRO A 55 3.600 13.326 10.999 1.00 0.00 C ATOM 820 O PRO A 55 4.581 13.811 10.437 1.00 0.00 O ATOM 821 CB PRO A 55 1.367 13.943 10.033 1.00 0.00 C ATOM 822 CG PRO A 55 0.394 13.714 11.138 1.00 0.00 C ATOM 823 CD PRO A 55 0.341 12.225 11.341 1.00 0.00 C ATOM 0 HA PRO A 55 2.824 12.481 9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.828 14.928 10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.879 13.894 9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.712 14.221 12.049 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.589 14.108 10.880 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.166 11.968 12.386 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.462 11.769 10.762 1.00 0.00 H new ATOM 831 N GLU A 56 3.508 13.202 12.320 1.00 0.00 N ATOM 832 CA GLU A 56 4.582 13.640 13.203 1.00 0.00 C ATOM 833 C GLU A 56 5.782 12.703 13.107 1.00 0.00 C ATOM 834 O GLU A 56 6.883 13.037 13.546 1.00 0.00 O ATOM 835 CB GLU A 56 4.087 13.706 14.650 1.00 0.00 C ATOM 836 CG GLU A 56 4.160 12.375 15.379 1.00 0.00 C ATOM 837 CD GLU A 56 3.169 12.282 16.523 1.00 0.00 C ATOM 838 OE1 GLU A 56 1.998 11.937 16.268 1.00 0.00 O ATOM 839 OE2 GLU A 56 3.567 12.557 17.676 1.00 0.00 O ATOM 0 H GLU A 56 2.702 12.803 12.801 1.00 0.00 H new ATOM 0 HA GLU A 56 4.894 14.635 12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.679 14.442 15.194 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.056 14.058 14.657 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.971 11.567 14.672 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.169 12.231 15.765 1.00 0.00 H new ATOM 846 N LEU A 57 5.562 11.526 12.529 1.00 0.00 N ATOM 847 CA LEU A 57 6.624 10.539 12.375 1.00 0.00 C ATOM 848 C LEU A 57 7.279 10.654 11.002 1.00 0.00 C ATOM 849 O LEU A 57 8.447 10.305 10.831 1.00 0.00 O ATOM 850 CB LEU A 57 6.067 9.128 12.570 1.00 0.00 C ATOM 851 CG LEU A 57 5.439 8.837 13.934 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.596 7.572 13.874 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.516 8.711 15.001 1.00 0.00 C ATOM 0 H LEU A 57 4.657 11.233 12.160 1.00 0.00 H new ATOM 0 HA LEU A 57 7.380 10.733 13.135 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.317 8.946 11.801 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.874 8.414 12.404 1.00 0.00 H new ATOM 0 HG LEU A 57 4.789 9.671 14.199 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.157 7.380 14.853 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.801 7.699 13.139 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.225 6.729 13.587 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.051 8.504 15.965 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.192 7.896 14.742 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.078 9.643 15.062 1.00 0.00 H new ATOM 865 N GLN A 58 6.520 11.145 10.029 1.00 0.00 N ATOM 866 CA GLN A 58 7.028 11.308 8.673 1.00 0.00 C ATOM 867 C GLN A 58 7.686 10.023 8.180 1.00 0.00 C ATOM 868 O GLN A 58 8.837 10.030 7.746 1.00 0.00 O ATOM 869 CB GLN A 58 8.030 12.462 8.615 1.00 0.00 C ATOM 870 CG GLN A 58 7.574 13.701 9.368 1.00 0.00 C ATOM 871 CD GLN A 58 8.694 14.700 9.579 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.652 14.435 10.306 1.00 0.00 O ATOM 873 NE2 GLN A 58 8.581 15.860 8.941 1.00 0.00 N ATOM 0 H GLN A 58 5.551 11.437 10.154 1.00 0.00 H new ATOM 0 HA GLN A 58 6.184 11.536 8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.982 12.127 9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.208 12.726 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.765 14.179 8.817 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.169 13.405 10.336 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.771 16.039 8.348 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.305 16.571 9.044 1.00 0.00 H new ATOM 882 N SER A 59 6.946 8.921 8.251 1.00 0.00 N ATOM 883 CA SER A 59 7.459 7.627 7.816 1.00 0.00 C ATOM 884 C SER A 59 6.738 7.151 6.559 1.00 0.00 C ATOM 885 O SER A 59 5.526 7.321 6.423 1.00 0.00 O ATOM 886 CB SER A 59 7.301 6.592 8.931 1.00 0.00 C ATOM 887 OG SER A 59 8.188 5.503 8.745 1.00 0.00 O ATOM 0 H SER A 59 5.990 8.898 8.605 1.00 0.00 H new ATOM 0 HA SER A 59 8.518 7.743 7.584 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.493 7.061 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.273 6.229 8.951 1.00 0.00 H new ATOM 0 HG SER A 59 8.069 4.856 9.472 1.00 0.00 H new ATOM 893 N ASP A 60 7.492 6.555 5.642 1.00 0.00 N ATOM 894 CA ASP A 60 6.926 6.052 4.396 1.00 0.00 C ATOM 895 C ASP A 60 6.822 4.531 4.420 1.00 0.00 C ATOM 896 O ASP A 60 6.711 3.891 3.375 1.00 0.00 O ATOM 897 CB ASP A 60 7.779 6.499 3.207 1.00 0.00 C ATOM 898 CG ASP A 60 8.261 7.930 3.345 1.00 0.00 C ATOM 899 OD1 ASP A 60 7.407 8.840 3.393 1.00 0.00 O ATOM 900 OD2 ASP A 60 9.491 8.140 3.404 1.00 0.00 O ATOM 0 H ASP A 60 8.497 6.408 5.738 1.00 0.00 H new ATOM 0 HA ASP A 60 5.923 6.464 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.639 5.837 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.198 6.401 2.290 1.00 0.00 H new ATOM 905 N ILE A 61 6.861 3.960 5.619 1.00 0.00 N ATOM 906 CA ILE A 61 6.770 2.513 5.778 1.00 0.00 C ATOM 907 C ILE A 61 5.542 2.126 6.594 1.00 0.00 C ATOM 908 O ILE A 61 5.441 2.456 7.776 1.00 0.00 O ATOM 909 CB ILE A 61 8.027 1.943 6.462 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.281 2.653 5.947 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.126 0.445 6.224 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.567 2.389 4.485 1.00 0.00 C ATOM 0 H ILE A 61 6.955 4.476 6.494 1.00 0.00 H new ATOM 0 HA ILE A 61 6.686 2.090 4.777 1.00 0.00 H new ATOM 0 HB ILE A 61 7.948 2.117 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.169 3.727 6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.138 2.335 6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.019 0.057 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.244 -0.048 6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.185 0.250 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.469 2.924 4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.711 1.320 4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.727 2.733 3.882 1.00 0.00 H new ATOM 924 N ILE A 62 4.612 1.423 5.957 1.00 0.00 N ATOM 925 CA ILE A 62 3.392 0.987 6.625 1.00 0.00 C ATOM 926 C ILE A 62 3.556 -0.409 7.214 1.00 0.00 C ATOM 927 O ILE A 62 4.115 -1.302 6.576 1.00 0.00 O ATOM 928 CB ILE A 62 2.192 0.988 5.661 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.755 2.423 5.357 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.038 0.191 6.251 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.659 2.514 4.318 1.00 0.00 C ATOM 0 H ILE A 62 4.680 1.143 4.979 1.00 0.00 H new ATOM 0 HA ILE A 62 3.202 1.697 7.430 1.00 0.00 H new ATOM 0 HB ILE A 62 2.495 0.515 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.411 2.892 6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.619 2.992 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.197 0.201 5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.356 -0.838 6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.733 0.638 7.197 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.400 3.560 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.007 2.075 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.220 1.973 4.668 1.00 0.00 H new ATOM 943 N ALA A 63 3.064 -0.593 8.435 1.00 0.00 N ATOM 944 CA ALA A 63 3.152 -1.883 9.108 1.00 0.00 C ATOM 945 C ALA A 63 1.824 -2.630 9.039 1.00 0.00 C ATOM 946 O ALA A 63 0.770 -2.069 9.338 1.00 0.00 O ATOM 947 CB ALA A 63 3.578 -1.693 10.556 1.00 0.00 C ATOM 0 H ALA A 63 2.600 0.135 8.978 1.00 0.00 H new ATOM 0 HA ALA A 63 3.903 -2.483 8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.640 -2.664 11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.553 -1.207 10.588 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.846 -1.071 11.072 1.00 0.00 H new ATOM 953 N ILE A 64 1.885 -3.896 8.642 1.00 0.00 N ATOM 954 CA ILE A 64 0.686 -4.720 8.534 1.00 0.00 C ATOM 955 C ILE A 64 0.811 -5.985 9.376 1.00 0.00 C ATOM 956 O ILE A 64 1.763 -6.751 9.229 1.00 0.00 O ATOM 957 CB ILE A 64 0.405 -5.116 7.072 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.388 -3.873 6.179 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.915 -5.865 6.971 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.324 -4.193 4.701 1.00 0.00 C ATOM 0 H ILE A 64 2.750 -4.374 8.390 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.144 -4.119 8.905 1.00 0.00 H new ATOM 0 HB ILE A 64 1.202 -5.776 6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.469 -3.255 6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.282 -3.281 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.100 -6.138 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.869 -6.767 7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.724 -5.227 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.315 -3.266 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.194 -4.785 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.584 -4.759 4.490 1.00 0.00 H new ATOM 972 N THR A 65 -0.159 -6.199 10.260 1.00 0.00 N ATOM 973 CA THR A 65 -0.159 -7.371 11.126 1.00 0.00 C ATOM 974 C THR A 65 -1.088 -8.454 10.587 1.00 0.00 C ATOM 975 O THR A 65 -2.169 -8.160 10.079 1.00 0.00 O ATOM 976 CB THR A 65 -0.589 -7.010 12.560 1.00 0.00 C ATOM 977 OG1 THR A 65 0.171 -5.892 13.033 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.396 -8.193 13.497 1.00 0.00 C ATOM 0 H THR A 65 -0.955 -5.575 10.395 1.00 0.00 H new ATOM 0 HA THR A 65 0.863 -7.749 11.145 1.00 0.00 H new ATOM 0 HB THR A 65 -1.647 -6.749 12.543 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.110 -5.668 13.945 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.706 -7.914 14.504 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.998 -9.033 13.151 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.655 -8.481 13.508 1.00 0.00 H new ATOM 986 N GLY A 66 -0.658 -9.706 10.701 1.00 0.00 N ATOM 987 CA GLY A 66 -1.464 -10.814 10.220 1.00 0.00 C ATOM 988 C GLY A 66 -0.632 -12.040 9.900 1.00 0.00 C ATOM 989 O GLY A 66 0.598 -11.982 9.899 1.00 0.00 O ATOM 0 H GLY A 66 0.234 -9.974 11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.209 -11.071 10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.007 -10.504 9.327 1.00 0.00 H new ATOM 993 N LEU A 67 -1.304 -13.154 9.630 1.00 0.00 N ATOM 994 CA LEU A 67 -0.619 -14.401 9.309 1.00 0.00 C ATOM 995 C LEU A 67 0.207 -14.256 8.036 1.00 0.00 C ATOM 996 O LEU A 67 -0.241 -13.658 7.058 1.00 0.00 O ATOM 997 CB LEU A 67 -1.633 -15.535 9.147 1.00 0.00 C ATOM 998 CG LEU A 67 -2.407 -15.929 10.405 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.558 -16.859 10.055 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.480 -16.583 11.419 1.00 0.00 C ATOM 0 H LEU A 67 -2.322 -13.219 9.627 1.00 0.00 H new ATOM 0 HA LEU A 67 0.055 -14.639 10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.351 -15.247 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.107 -16.415 8.778 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.821 -15.025 10.851 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.097 -17.128 10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.236 -16.355 9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.167 -17.761 9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.048 -16.857 12.308 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.036 -17.478 10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.690 -15.884 11.694 1.00 0.00 H new ATOM 1012 N ALA A 68 1.416 -14.809 8.055 1.00 0.00 N ATOM 1013 CA ALA A 68 2.303 -14.745 6.900 1.00 0.00 C ATOM 1014 C ALA A 68 1.528 -14.935 5.600 1.00 0.00 C ATOM 1015 O ALA A 68 1.849 -14.326 4.580 1.00 0.00 O ATOM 1016 CB ALA A 68 3.401 -15.791 7.019 1.00 0.00 C ATOM 0 H ALA A 68 1.803 -15.306 8.857 1.00 0.00 H new ATOM 0 HA ALA A 68 2.759 -13.755 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.056 -15.732 6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.981 -15.608 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.954 -16.784 7.069 1.00 0.00 H new ATOM 1022 N ALA A 69 0.506 -15.784 5.644 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.315 -16.054 4.471 1.00 0.00 C ATOM 1024 C ALA A 69 -1.149 -14.835 4.093 1.00 0.00 C ATOM 1025 O ALA A 69 -1.191 -14.436 2.930 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.215 -17.254 4.721 1.00 0.00 C ATOM 0 H ALA A 69 0.227 -16.297 6.481 1.00 0.00 H new ATOM 0 HA ALA A 69 0.350 -16.280 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.823 -17.444 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.603 -18.130 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.866 -17.050 5.571 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.811 -14.246 5.084 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.646 -13.072 4.855 1.00 0.00 C ATOM 1034 C ASN A 70 -1.794 -11.868 4.462 1.00 0.00 C ATOM 1035 O ASN A 70 -2.159 -11.099 3.571 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.460 -12.747 6.108 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.256 -13.939 6.606 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.458 -14.911 5.879 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.711 -13.866 7.851 1.00 0.00 N ATOM 0 H ASN A 70 -1.785 -14.562 6.053 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.328 -13.296 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.788 -12.407 6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.141 -11.923 5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.253 -14.637 8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.518 -13.039 8.417 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.658 -11.711 5.131 1.00 0.00 N ATOM 1047 CA LEU A 71 0.247 -10.601 4.852 1.00 0.00 C ATOM 1048 C LEU A 71 0.616 -10.558 3.373 1.00 0.00 C ATOM 1049 O LEU A 71 0.759 -9.484 2.788 1.00 0.00 O ATOM 1050 CB LEU A 71 1.513 -10.723 5.702 1.00 0.00 C ATOM 1051 CG LEU A 71 1.297 -10.888 7.206 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.534 -11.484 7.860 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.945 -9.553 7.846 1.00 0.00 C ATOM 0 H LEU A 71 -0.341 -12.338 5.871 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.266 -9.674 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.088 -11.576 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.124 -9.835 5.538 1.00 0.00 H new ATOM 0 HG LEU A 71 0.463 -11.572 7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.362 -11.594 8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.742 -12.461 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.386 -10.825 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.795 -9.691 8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.758 -8.845 7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.030 -9.165 7.399 1.00 0.00 H new ATOM 1065 N ASP A 72 0.768 -11.734 2.772 1.00 0.00 N ATOM 1066 CA ASP A 72 1.117 -11.831 1.360 1.00 0.00 C ATOM 1067 C ASP A 72 -0.001 -11.274 0.483 1.00 0.00 C ATOM 1068 O ASP A 72 0.198 -10.308 -0.253 1.00 0.00 O ATOM 1069 CB ASP A 72 1.401 -13.285 0.981 1.00 0.00 C ATOM 1070 CG ASP A 72 2.853 -13.668 1.199 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.705 -13.240 0.394 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.135 -14.395 2.174 1.00 0.00 O ATOM 0 H ASP A 72 0.655 -12.633 3.241 1.00 0.00 H new ATOM 0 HA ASP A 72 2.016 -11.237 1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.762 -13.942 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.140 -13.442 -0.066 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.174 -11.891 0.568 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.323 -11.458 -0.219 1.00 0.00 C ATOM 1079 C ARG A 73 -2.610 -9.977 0.006 1.00 0.00 C ATOM 1080 O ARG A 73 -2.820 -9.223 -0.943 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.557 -12.288 0.142 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.843 -12.338 1.633 1.00 0.00 C ATOM 1083 CD ARG A 73 -5.094 -13.148 1.935 1.00 0.00 C ATOM 1084 NE ARG A 73 -4.803 -14.571 2.082 1.00 0.00 N ATOM 1085 CZ ARG A 73 -5.728 -15.489 2.335 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -6.999 -15.135 2.468 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -5.384 -16.765 2.455 1.00 0.00 N ATOM 0 H ARG A 73 -1.355 -12.692 1.173 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.087 -11.608 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.425 -11.875 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.421 -13.304 -0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.991 -12.776 2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.964 -11.324 2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.554 -12.776 2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.819 -13.007 1.133 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.835 -14.877 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.268 -14.155 2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.708 -15.842 2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.408 -17.042 2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.096 -17.469 2.649 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.618 -9.567 1.271 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.877 -8.176 1.622 1.00 0.00 C ATOM 1103 C ALA A 74 -1.815 -7.254 1.032 1.00 0.00 C ATOM 1104 O ALA A 74 -2.121 -6.362 0.242 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.938 -8.015 3.133 1.00 0.00 C ATOM 0 H ALA A 74 -2.448 -10.179 2.069 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.841 -7.894 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.132 -6.971 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.738 -8.637 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.987 -8.321 3.570 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.564 -7.475 1.421 1.00 0.00 N ATOM 1112 CA LYS A 75 0.545 -6.665 0.932 1.00 0.00 C ATOM 1113 C LYS A 75 0.486 -6.523 -0.586 1.00 0.00 C ATOM 1114 O LYS A 75 0.862 -5.488 -1.136 1.00 0.00 O ATOM 1115 CB LYS A 75 1.881 -7.289 1.345 1.00 0.00 C ATOM 1116 CG LYS A 75 3.082 -6.408 1.046 1.00 0.00 C ATOM 1117 CD LYS A 75 4.388 -7.136 1.315 1.00 0.00 C ATOM 1118 CE LYS A 75 5.567 -6.418 0.677 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.840 -7.169 0.861 1.00 0.00 N ATOM 0 H LYS A 75 -0.293 -8.210 2.075 1.00 0.00 H new ATOM 0 HA LYS A 75 0.462 -5.673 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.857 -7.505 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.002 -8.242 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.050 -6.089 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.034 -5.507 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.547 -7.215 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.326 -8.153 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.376 -6.282 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.666 -5.424 1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.619 -6.647 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.036 -7.277 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.755 -8.108 0.423 1.00 0.00 H new ATOM 1133 N ALA A 76 0.013 -7.568 -1.255 1.00 0.00 N ATOM 1134 CA ALA A 76 -0.099 -7.557 -2.709 1.00 0.00 C ATOM 1135 C ALA A 76 -1.086 -6.493 -3.176 1.00 0.00 C ATOM 1136 O ALA A 76 -0.866 -5.830 -4.189 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.519 -8.930 -3.216 1.00 0.00 C ATOM 0 H ALA A 76 -0.299 -8.433 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 76 0.879 -7.313 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.599 -8.908 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.225 -9.670 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.485 -9.197 -2.787 1.00 0.00 H new ATOM 1143 N GLY A 77 -2.176 -6.337 -2.431 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.182 -5.352 -2.786 1.00 0.00 C ATOM 1145 C GLY A 77 -2.695 -3.930 -2.594 1.00 0.00 C ATOM 1146 O GLY A 77 -3.018 -3.042 -3.384 1.00 0.00 O ATOM 0 H GLY A 77 -2.381 -6.874 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.475 -5.495 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.073 -5.513 -2.179 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.916 -3.711 -1.540 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.383 -2.385 -1.244 1.00 0.00 C ATOM 1152 C LEU A 78 -0.328 -1.981 -2.269 1.00 0.00 C ATOM 1153 O LEU A 78 -0.407 -0.907 -2.866 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.782 -2.358 0.162 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.668 -0.980 0.817 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -2.047 -0.432 1.148 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.194 -1.055 2.068 1.00 0.00 C ATOM 0 H LEU A 78 -1.639 -4.434 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.204 -1.670 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.387 -2.996 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.213 -2.801 0.119 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.190 -0.300 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.947 0.549 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.632 -0.341 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.552 -1.110 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.264 -0.066 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.256 -1.749 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.192 -1.404 1.802 1.00 0.00 H new ATOM 1169 N LEU A 79 0.657 -2.848 -2.469 1.00 0.00 N ATOM 1170 CA LEU A 79 1.728 -2.584 -3.424 1.00 0.00 C ATOM 1171 C LEU A 79 1.160 -2.164 -4.776 1.00 0.00 C ATOM 1172 O LEU A 79 1.590 -1.170 -5.358 1.00 0.00 O ATOM 1173 CB LEU A 79 2.608 -3.824 -3.590 1.00 0.00 C ATOM 1174 CG LEU A 79 3.561 -4.130 -2.434 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.221 -5.486 -2.632 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.612 -3.037 -2.306 1.00 0.00 C ATOM 0 H LEU A 79 0.737 -3.741 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 79 2.335 -1.766 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.960 -4.688 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.197 -3.708 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 79 2.983 -4.161 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.896 -5.687 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.455 -6.261 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.785 -5.483 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.282 -3.271 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.186 -2.974 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.122 -2.082 -2.117 1.00 0.00 H new ATOM 1188 N GLU A 80 0.190 -2.929 -5.267 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.437 -2.635 -6.551 1.00 0.00 C ATOM 1190 C GLU A 80 -1.203 -1.316 -6.493 1.00 0.00 C ATOM 1191 O GLU A 80 -1.396 -0.653 -7.511 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.383 -3.769 -6.954 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.664 -5.036 -7.387 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.607 -6.073 -7.963 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -2.151 -5.836 -9.062 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -1.801 -7.123 -7.314 1.00 0.00 O ATOM 0 H GLU A 80 -0.178 -3.756 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 80 0.351 -2.546 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.037 -4.001 -6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.021 -3.427 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.092 -4.784 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.140 -5.462 -6.532 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.637 -0.943 -5.292 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.384 0.295 -5.101 1.00 0.00 C ATOM 1205 C ARG A 81 -1.457 1.504 -5.173 1.00 0.00 C ATOM 1206 O ARG A 81 -1.834 2.559 -5.683 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.109 0.274 -3.754 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.359 1.138 -3.723 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.584 0.362 -4.180 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.786 1.193 -4.191 1.00 0.00 N ATOM 1211 CZ ARG A 81 -8.019 0.702 -4.182 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -8.215 -0.609 -4.161 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -9.062 1.523 -4.193 1.00 0.00 N ATOM 0 H ARG A 81 -1.484 -1.480 -4.438 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.120 0.375 -5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.382 -0.754 -3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.424 0.612 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.520 1.511 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.218 2.008 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.409 -0.036 -5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.739 -0.492 -3.520 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.671 2.206 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.417 -1.244 -4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.164 -0.983 -4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.916 2.532 -4.208 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.009 1.144 -4.186 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.243 1.345 -4.658 1.00 0.00 N ATOM 1228 CA VAL A 82 0.739 2.423 -4.664 1.00 0.00 C ATOM 1229 C VAL A 82 1.288 2.659 -6.067 1.00 0.00 C ATOM 1230 O VAL A 82 1.590 3.791 -6.445 1.00 0.00 O ATOM 1231 CB VAL A 82 1.910 2.122 -3.711 1.00 0.00 C ATOM 1232 CG1 VAL A 82 3.044 3.113 -3.927 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.439 2.145 -2.264 1.00 0.00 C ATOM 0 H VAL A 82 0.085 0.479 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 82 0.224 3.321 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 82 2.286 1.123 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.862 2.884 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.398 3.042 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.685 4.124 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.280 1.930 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.035 3.130 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.664 1.392 -2.122 1.00 0.00 H new ATOM 1243 N LYS A 83 1.413 1.583 -6.836 1.00 0.00 N ATOM 1244 CA LYS A 83 1.925 1.671 -8.198 1.00 0.00 C ATOM 1245 C LYS A 83 0.856 2.209 -9.146 1.00 0.00 C ATOM 1246 O LYS A 83 1.161 2.936 -10.089 1.00 0.00 O ATOM 1247 CB LYS A 83 2.401 0.297 -8.677 1.00 0.00 C ATOM 1248 CG LYS A 83 3.791 -0.068 -8.188 1.00 0.00 C ATOM 1249 CD LYS A 83 4.013 -1.571 -8.207 1.00 0.00 C ATOM 1250 CE LYS A 83 4.146 -2.097 -9.628 1.00 0.00 C ATOM 1251 NZ LYS A 83 4.380 -3.567 -9.657 1.00 0.00 N ATOM 0 H LYS A 83 1.166 0.639 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 83 2.769 2.361 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.695 -0.461 -8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.391 0.278 -9.767 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.538 0.419 -8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.932 0.309 -7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.913 -1.814 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.181 -2.069 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.241 -1.863 -10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.971 -1.588 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.465 -3.886 -10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.257 -3.789 -9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.581 -4.055 -9.203 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.396 1.846 -8.886 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.508 2.293 -9.715 1.00 0.00 C ATOM 1267 C GLU A 84 -1.933 3.708 -9.339 1.00 0.00 C ATOM 1268 O GLU A 84 -2.222 4.534 -10.208 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.695 1.338 -9.575 1.00 0.00 C ATOM 1270 CG GLU A 84 -2.675 0.190 -10.570 1.00 0.00 C ATOM 1271 CD GLU A 84 -4.060 -0.350 -10.866 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -5.033 0.429 -10.775 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -4.174 -1.552 -11.188 1.00 0.00 O ATOM 0 H GLU A 84 -0.665 1.244 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.174 2.296 -10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.705 0.931 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.620 1.901 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.215 0.527 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.052 -0.614 -10.179 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.969 3.984 -8.040 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.359 5.300 -7.547 1.00 0.00 C ATOM 1282 C LEU A 85 -1.393 6.374 -8.039 1.00 0.00 C ATOM 1283 O LEU A 85 -1.803 7.346 -8.674 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.405 5.301 -6.018 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.602 4.593 -5.382 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.320 4.276 -3.922 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.856 5.444 -5.513 1.00 0.00 C ATOM 0 H LEU A 85 -1.733 3.313 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.353 5.526 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.493 4.834 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.396 6.336 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.768 3.654 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.183 3.772 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.447 3.627 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.127 5.202 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.698 4.925 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.702 6.399 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.068 5.619 -6.568 1.00 0.00 H new