USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 683 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 Single : A 15 HIS : no HD1:sc= -0.123 K(o=-0.12,f=-0.78) USER MOD Single : A 26 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.4!) USER MOD Single : A 29 SER OG : rot -170:sc= -0.106 USER MOD Single : A 30 SER OG : rot 180:sc= 0.011 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -26:sc= -0.0554 USER MOD Single : A 38 SER OG : rot 180:sc= -0.203 USER MOD Single : A 41 ASN : amide:sc=-0.00381 K(o=-0.0038,f=-1) USER MOD Single : A 42 TYR OH : rot 0:sc= -0.596 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0901 USER MOD Single : A 55 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-0.9) USER MOD Single : A 57 ASN : amide:sc= -2.09 X(o=-2.1,f=-2.3) USER MOD Single : A 60 ASN : amide:sc= -0.317 K(o=-0.32,f=-4!) USER MOD Single : A 65 GLN : amide:sc= -1.19 X(o=-1.2,f=-0.72) USER MOD Single : A 69 TYR OH : rot -21:sc= 0.0878 USER MOD Single : A 70 HIS : no HE2:sc= -3.19! C(o=-3.2!,f=-3.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.58! C(o=-2.6!,f=-4.5!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 112:sc= 0.581 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.537 K(o=-0.54,f=-4.8!) USER MOD Single : A 95 SER OG : rot 42:sc= 0.457 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -149:sc= -0.271 (180deg=-2.33!) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -14.987 -7.493 9.973 1.00 0.00 N ATOM 174 CA VAL A 14 -15.308 -6.234 9.311 1.00 0.00 C ATOM 175 C VAL A 14 -16.283 -6.452 8.159 1.00 0.00 C ATOM 176 O VAL A 14 -16.172 -7.425 7.413 1.00 0.00 O ATOM 177 CB VAL A 14 -14.040 -5.545 8.772 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.408 -4.343 7.915 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.130 -5.133 9.919 1.00 0.00 C ATOM 0 HA VAL A 14 -15.772 -5.592 10.059 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.500 -6.255 8.146 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.499 -3.869 7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.018 -4.670 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.971 -3.628 8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.239 -4.648 9.520 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.659 -4.439 10.572 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.839 -6.016 10.487 1.00 0.00 H new ATOM 189 N HIS A 15 -17.238 -5.538 8.020 1.00 0.00 N ATOM 190 CA HIS A 15 -18.234 -5.629 6.958 1.00 0.00 C ATOM 191 C HIS A 15 -18.339 -4.311 6.197 1.00 0.00 C ATOM 192 O HIS A 15 -18.801 -3.306 6.738 1.00 0.00 O ATOM 193 CB HIS A 15 -19.597 -6.006 7.538 1.00 0.00 C ATOM 194 CG HIS A 15 -19.704 -7.448 7.928 1.00 0.00 C ATOM 195 ND1 HIS A 15 -18.914 -8.437 7.380 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.514 -8.067 8.818 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.234 -9.601 7.915 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.203 -9.404 8.792 1.00 0.00 N ATOM 0 H HIS A 15 -17.343 -4.726 8.629 1.00 0.00 H new ATOM 0 HA HIS A 15 -17.916 -6.406 6.262 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.795 -5.386 8.412 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.370 -5.778 6.804 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.266 -7.597 9.434 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -18.781 -10.552 7.677 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.647 -10.127 9.357 1.00 0.00 H new ATOM 206 N ILE A 16 -17.906 -4.322 4.941 1.00 0.00 N ATOM 207 CA ILE A 16 -17.952 -3.128 4.107 1.00 0.00 C ATOM 208 C ILE A 16 -19.382 -2.626 3.943 1.00 0.00 C ATOM 209 O ILE A 16 -20.158 -3.176 3.160 1.00 0.00 O ATOM 210 CB ILE A 16 -17.349 -3.390 2.714 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.935 -3.961 2.845 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.335 -2.109 1.893 1.00 0.00 C ATOM 213 CD1 ILE A 16 -14.941 -2.982 3.430 1.00 0.00 C ATOM 0 H ILE A 16 -17.519 -5.145 4.479 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.358 -2.367 4.614 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.970 -4.122 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.968 -4.852 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.587 -4.277 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.906 -2.311 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.354 -1.741 1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.735 -1.356 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.960 -3.454 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.879 -2.101 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.266 -2.685 4.427 1.00 0.00 H new ATOM 225 N ILE A 17 -19.725 -1.579 4.685 1.00 0.00 N ATOM 226 CA ILE A 17 -21.061 -1.001 4.620 1.00 0.00 C ATOM 227 C ILE A 17 -21.239 -0.168 3.355 1.00 0.00 C ATOM 228 O ILE A 17 -22.078 -0.477 2.510 1.00 0.00 O ATOM 229 CB ILE A 17 -21.354 -0.118 5.848 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.964 -0.850 7.134 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.823 0.274 5.880 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.205 -0.039 8.388 1.00 0.00 C ATOM 0 H ILE A 17 -19.096 -1.113 5.339 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.764 -1.834 4.606 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.757 0.791 5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.529 -1.780 7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.909 -1.120 7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.014 0.898 6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.071 0.830 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.438 -0.624 5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.906 -0.620 9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.619 0.879 8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.264 0.209 8.463 1.00 0.00 H new ATOM 244 N GLU A 18 -20.442 0.889 3.232 1.00 0.00 N ATOM 245 CA GLU A 18 -20.511 1.766 2.069 1.00 0.00 C ATOM 246 C GLU A 18 -19.157 1.849 1.369 1.00 0.00 C ATOM 247 O GLU A 18 -18.415 2.816 1.543 1.00 0.00 O ATOM 248 CB GLU A 18 -20.969 3.165 2.485 1.00 0.00 C ATOM 249 CG GLU A 18 -22.202 3.163 3.372 1.00 0.00 C ATOM 250 CD GLU A 18 -22.645 4.561 3.759 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.037 5.533 3.265 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.599 4.682 4.556 1.00 0.00 O ATOM 0 H GLU A 18 -19.742 1.158 3.923 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.236 1.346 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.154 3.663 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.177 3.751 1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.017 2.658 2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.994 2.589 4.275 1.00 0.00 H new ATOM 259 N ASP A 19 -18.843 0.829 0.579 1.00 0.00 N ATOM 260 CA ASP A 19 -17.579 0.785 -0.148 1.00 0.00 C ATOM 261 C ASP A 19 -17.372 2.064 -0.954 1.00 0.00 C ATOM 262 O ASP A 19 -18.329 2.773 -1.270 1.00 0.00 O ATOM 263 CB ASP A 19 -17.542 -0.430 -1.076 1.00 0.00 C ATOM 264 CG ASP A 19 -16.127 -0.841 -1.434 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.531 -0.200 -2.325 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.617 -1.804 -0.825 1.00 0.00 O ATOM 0 H ASP A 19 -19.446 0.021 0.425 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.772 0.701 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.050 -1.266 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.094 -0.204 -1.988 1.00 0.00 H new ATOM 271 N LEU A 20 -16.118 2.353 -1.283 1.00 0.00 N ATOM 272 CA LEU A 20 -15.785 3.547 -2.051 1.00 0.00 C ATOM 273 C LEU A 20 -16.596 3.608 -3.342 1.00 0.00 C ATOM 274 O LEU A 20 -17.309 2.665 -3.682 1.00 0.00 O ATOM 275 CB LEU A 20 -14.290 3.569 -2.374 1.00 0.00 C ATOM 276 CG LEU A 20 -13.344 3.352 -1.192 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.184 2.455 -1.594 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.833 4.685 -0.667 1.00 0.00 C ATOM 0 H LEU A 20 -15.315 1.777 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.033 4.419 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.089 2.801 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.052 4.529 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.898 2.858 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.522 2.312 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.568 1.489 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.630 2.920 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.161 4.512 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.296 5.206 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.675 5.294 -0.339 1.00 0.00 H new ATOM 290 N GLU A 21 -16.480 4.724 -4.055 1.00 0.00 N ATOM 291 CA GLU A 21 -17.203 4.906 -5.309 1.00 0.00 C ATOM 292 C GLU A 21 -16.234 5.073 -6.476 1.00 0.00 C ATOM 293 O GLU A 21 -16.032 4.150 -7.266 1.00 0.00 O ATOM 294 CB GLU A 21 -18.125 6.124 -5.219 1.00 0.00 C ATOM 295 CG GLU A 21 -19.238 5.971 -4.197 1.00 0.00 C ATOM 296 CD GLU A 21 -20.477 6.766 -4.559 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.408 8.013 -4.543 1.00 0.00 O ATOM 298 OE2 GLU A 21 -21.515 6.141 -4.860 1.00 0.00 O ATOM 0 H GLU A 21 -15.894 5.514 -3.787 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.806 4.015 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.530 7.002 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.566 6.309 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.501 4.917 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.876 6.294 -3.221 1.00 0.00 H new ATOM 305 N ASP A 22 -15.638 6.256 -6.578 1.00 0.00 N ATOM 306 CA ASP A 22 -14.690 6.545 -7.647 1.00 0.00 C ATOM 307 C ASP A 22 -14.168 7.974 -7.540 1.00 0.00 C ATOM 308 O ASP A 22 -14.758 8.812 -6.857 1.00 0.00 O ATOM 309 CB ASP A 22 -15.346 6.330 -9.012 1.00 0.00 C ATOM 310 CG ASP A 22 -16.736 6.931 -9.087 1.00 0.00 C ATOM 311 OD1 ASP A 22 -17.010 7.887 -8.332 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.549 6.447 -9.902 1.00 0.00 O ATOM 0 H ASP A 22 -15.795 7.030 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.847 5.861 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.720 6.772 -9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.403 5.262 -9.220 1.00 0.00 H new ATOM 317 N VAL A 23 -13.058 8.246 -8.219 1.00 0.00 N ATOM 318 CA VAL A 23 -12.456 9.574 -8.199 1.00 0.00 C ATOM 319 C VAL A 23 -11.718 9.862 -9.502 1.00 0.00 C ATOM 320 O VAL A 23 -11.081 8.978 -10.074 1.00 0.00 O ATOM 321 CB VAL A 23 -11.476 9.730 -7.021 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.825 11.104 -7.046 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.191 9.494 -5.700 1.00 0.00 C ATOM 0 H VAL A 23 -12.558 7.565 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.270 10.289 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.691 8.981 -7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.136 11.196 -6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.277 11.230 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.594 11.873 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.484 9.608 -4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.997 10.219 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.605 8.486 -5.685 1.00 0.00 H new ATOM 333 N ASP A 24 -11.808 11.104 -9.964 1.00 0.00 N ATOM 334 CA ASP A 24 -11.147 11.510 -11.199 1.00 0.00 C ATOM 335 C ASP A 24 -10.813 12.998 -11.173 1.00 0.00 C ATOM 336 O ASP A 24 -11.689 13.845 -11.350 1.00 0.00 O ATOM 337 CB ASP A 24 -12.033 11.194 -12.405 1.00 0.00 C ATOM 338 CG ASP A 24 -13.426 11.777 -12.268 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.174 11.321 -11.378 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.769 12.688 -13.051 1.00 0.00 O ATOM 0 H ASP A 24 -12.332 11.847 -9.502 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.217 10.949 -11.285 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.565 11.586 -13.308 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.105 10.113 -12.526 1.00 0.00 H new ATOM 345 N VAL A 25 -9.540 13.310 -10.951 1.00 0.00 N ATOM 346 CA VAL A 25 -9.090 14.696 -10.901 1.00 0.00 C ATOM 347 C VAL A 25 -7.651 14.824 -11.389 1.00 0.00 C ATOM 348 O VAL A 25 -6.920 13.837 -11.460 1.00 0.00 O ATOM 349 CB VAL A 25 -9.190 15.268 -9.475 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.606 15.121 -8.939 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.190 14.585 -8.555 1.00 0.00 C ATOM 0 H VAL A 25 -8.802 12.622 -10.803 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.746 15.266 -11.559 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.949 16.330 -9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.658 15.531 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.298 15.661 -9.586 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.879 14.066 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.275 15.002 -7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.397 13.515 -8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.180 14.747 -8.931 1.00 0.00 H new ATOM 361 N GLN A 26 -7.251 16.047 -11.722 1.00 0.00 N ATOM 362 CA GLN A 26 -5.899 16.304 -12.203 1.00 0.00 C ATOM 363 C GLN A 26 -4.867 15.969 -11.130 1.00 0.00 C ATOM 364 O GLN A 26 -5.036 16.320 -9.963 1.00 0.00 O ATOM 365 CB GLN A 26 -5.755 17.767 -12.627 1.00 0.00 C ATOM 366 CG GLN A 26 -5.632 18.730 -11.458 1.00 0.00 C ATOM 367 CD GLN A 26 -6.269 20.076 -11.741 1.00 0.00 C ATOM 368 OE1 GLN A 26 -7.095 20.207 -12.645 1.00 0.00 O ATOM 369 NE2 GLN A 26 -5.888 21.086 -10.968 1.00 0.00 N ATOM 0 H GLN A 26 -7.844 16.875 -11.667 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.720 15.664 -13.067 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.876 17.867 -13.263 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.619 18.049 -13.230 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.100 18.289 -10.578 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.578 18.874 -11.220 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.200 20.932 -10.230 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.283 22.015 -11.112 1.00 0.00 H new ATOM 378 N GLU A 27 -3.800 15.289 -11.535 1.00 0.00 N ATOM 379 CA GLU A 27 -2.742 14.906 -10.607 1.00 0.00 C ATOM 380 C GLU A 27 -2.262 16.111 -9.802 1.00 0.00 C ATOM 381 O GLU A 27 -2.285 17.243 -10.285 1.00 0.00 O ATOM 382 CB GLU A 27 -1.567 14.286 -11.367 1.00 0.00 C ATOM 383 CG GLU A 27 -0.588 15.310 -11.915 1.00 0.00 C ATOM 384 CD GLU A 27 0.637 15.476 -11.036 1.00 0.00 C ATOM 385 OE1 GLU A 27 0.571 16.259 -10.066 1.00 0.00 O ATOM 386 OE2 GLU A 27 1.662 14.820 -11.319 1.00 0.00 O ATOM 0 H GLU A 27 -3.645 14.992 -12.498 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.149 14.168 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.034 13.606 -10.703 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.954 13.688 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.275 15.009 -12.915 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.092 16.271 -12.015 1.00 0.00 H new ATOM 393 N GLY A 28 -1.828 15.858 -8.571 1.00 0.00 N ATOM 394 CA GLY A 28 -1.350 16.930 -7.718 1.00 0.00 C ATOM 395 C GLY A 28 -2.436 17.483 -6.818 1.00 0.00 C ATOM 396 O GLY A 28 -2.149 18.166 -5.834 1.00 0.00 O ATOM 0 H GLY A 28 -1.799 14.930 -8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.527 16.563 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.952 17.733 -8.338 1.00 0.00 H new ATOM 400 N SER A 29 -3.688 17.189 -7.154 1.00 0.00 N ATOM 401 CA SER A 29 -4.822 17.666 -6.372 1.00 0.00 C ATOM 402 C SER A 29 -5.118 16.720 -5.211 1.00 0.00 C ATOM 403 O SER A 29 -4.385 15.759 -4.977 1.00 0.00 O ATOM 404 CB SER A 29 -6.060 17.804 -7.260 1.00 0.00 C ATOM 405 OG SER A 29 -5.901 18.855 -8.196 1.00 0.00 O ATOM 0 H SER A 29 -3.942 16.622 -7.963 1.00 0.00 H new ATOM 0 HA SER A 29 -4.565 18.644 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.239 16.867 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.936 17.994 -6.640 1.00 0.00 H new ATOM 0 HG SER A 29 -6.756 19.027 -8.643 1.00 0.00 H new ATOM 411 N SER A 30 -6.197 17.001 -4.488 1.00 0.00 N ATOM 412 CA SER A 30 -6.589 16.179 -3.349 1.00 0.00 C ATOM 413 C SER A 30 -7.806 15.324 -3.689 1.00 0.00 C ATOM 414 O SER A 30 -8.927 15.824 -3.765 1.00 0.00 O ATOM 415 CB SER A 30 -6.893 17.061 -2.137 1.00 0.00 C ATOM 416 OG SER A 30 -7.259 18.370 -2.538 1.00 0.00 O ATOM 0 H SER A 30 -6.815 17.791 -4.671 1.00 0.00 H new ATOM 0 HA SER A 30 -5.758 15.517 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.700 16.617 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.018 17.107 -1.488 1.00 0.00 H new ATOM 0 HG SER A 30 -7.450 18.914 -1.745 1.00 0.00 H new ATOM 422 N ALA A 31 -7.575 14.031 -3.892 1.00 0.00 N ATOM 423 CA ALA A 31 -8.652 13.105 -4.222 1.00 0.00 C ATOM 424 C ALA A 31 -9.228 12.464 -2.965 1.00 0.00 C ATOM 425 O ALA A 31 -8.597 11.605 -2.347 1.00 0.00 O ATOM 426 CB ALA A 31 -8.152 12.035 -5.181 1.00 0.00 C ATOM 0 H ALA A 31 -6.652 13.601 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.448 13.669 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.966 11.350 -5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.794 12.506 -6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.337 11.481 -4.715 1.00 0.00 H new ATOM 432 N THR A 32 -10.432 12.885 -2.589 1.00 0.00 N ATOM 433 CA THR A 32 -11.093 12.353 -1.404 1.00 0.00 C ATOM 434 C THR A 32 -11.692 10.978 -1.680 1.00 0.00 C ATOM 435 O THR A 32 -12.344 10.768 -2.702 1.00 0.00 O ATOM 436 CB THR A 32 -12.206 13.296 -0.911 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.654 14.576 -0.582 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.909 12.713 0.306 1.00 0.00 C ATOM 0 H THR A 32 -10.969 13.593 -3.089 1.00 0.00 H new ATOM 0 HA THR A 32 -10.332 12.266 -0.629 1.00 0.00 H new ATOM 0 HB THR A 32 -12.936 13.411 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.369 15.170 -0.271 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.691 13.396 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.353 11.753 0.044 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.187 12.572 1.110 1.00 0.00 H new ATOM 446 N PHE A 33 -11.467 10.045 -0.761 1.00 0.00 N ATOM 447 CA PHE A 33 -11.985 8.690 -0.905 1.00 0.00 C ATOM 448 C PHE A 33 -12.782 8.278 0.329 1.00 0.00 C ATOM 449 O PHE A 33 -12.236 7.701 1.270 1.00 0.00 O ATOM 450 CB PHE A 33 -10.837 7.705 -1.137 1.00 0.00 C ATOM 451 CG PHE A 33 -10.420 7.599 -2.576 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.176 6.868 -3.478 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.272 8.230 -3.026 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.793 6.768 -4.802 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.885 8.135 -4.349 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.647 7.403 -5.239 1.00 0.00 C ATOM 0 H PHE A 33 -10.929 10.203 0.091 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.651 8.672 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.979 8.013 -0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.137 6.720 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.074 6.371 -3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.672 8.803 -2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.390 6.193 -5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.988 8.632 -4.687 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.347 7.328 -6.274 1.00 0.00 H new ATOM 466 N ARG A 34 -14.076 8.578 0.318 1.00 0.00 N ATOM 467 CA ARG A 34 -14.949 8.242 1.436 1.00 0.00 C ATOM 468 C ARG A 34 -15.417 6.792 1.343 1.00 0.00 C ATOM 469 O ARG A 34 -15.632 6.268 0.250 1.00 0.00 O ATOM 470 CB ARG A 34 -16.158 9.178 1.467 1.00 0.00 C ATOM 471 CG ARG A 34 -16.483 9.708 2.854 1.00 0.00 C ATOM 472 CD ARG A 34 -17.505 10.832 2.796 1.00 0.00 C ATOM 473 NE ARG A 34 -17.070 11.923 1.927 1.00 0.00 N ATOM 474 CZ ARG A 34 -17.891 12.846 1.440 1.00 0.00 C ATOM 475 NH1 ARG A 34 -19.183 12.811 1.734 1.00 0.00 N ATOM 476 NH2 ARG A 34 -17.419 13.808 0.656 1.00 0.00 N ATOM 0 H ARG A 34 -14.544 9.054 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.380 8.365 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.972 10.020 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.027 8.648 1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.867 8.897 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.571 10.068 3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.456 10.439 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.679 11.216 3.801 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.082 11.979 1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.549 12.074 2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.811 13.522 1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.425 13.838 0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -18.050 14.517 0.282 1.00 0.00 H new ATOM 490 N CYS A 35 -15.571 6.151 2.496 1.00 0.00 N ATOM 491 CA CYS A 35 -16.012 4.761 2.545 1.00 0.00 C ATOM 492 C CYS A 35 -16.397 4.363 3.966 1.00 0.00 C ATOM 493 O CYS A 35 -15.622 4.547 4.905 1.00 0.00 O ATOM 494 CB CYS A 35 -14.911 3.837 2.024 1.00 0.00 C ATOM 495 SG CYS A 35 -13.318 4.045 2.854 1.00 0.00 S ATOM 0 H CYS A 35 -15.397 6.571 3.409 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.891 4.661 1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.236 2.803 2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.778 4.014 0.957 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.228 5.254 3.324 1.00 0.00 H new ATOM 501 N ARG A 36 -17.600 3.818 4.117 1.00 0.00 N ATOM 502 CA ARG A 36 -18.089 3.396 5.424 1.00 0.00 C ATOM 503 C ARG A 36 -17.839 1.907 5.644 1.00 0.00 C ATOM 504 O ARG A 36 -18.087 1.089 4.758 1.00 0.00 O ATOM 505 CB ARG A 36 -19.583 3.698 5.555 1.00 0.00 C ATOM 506 CG ARG A 36 -20.090 3.656 6.987 1.00 0.00 C ATOM 507 CD ARG A 36 -21.605 3.540 7.039 1.00 0.00 C ATOM 508 NE ARG A 36 -22.110 3.564 8.409 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.362 3.266 8.737 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.233 2.924 7.797 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.746 3.311 10.006 1.00 0.00 N ATOM 0 H ARG A 36 -18.254 3.658 3.350 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.544 3.954 6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.784 4.684 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.144 2.978 4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.641 2.810 7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.775 4.558 7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.051 4.359 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -21.914 2.614 6.555 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.465 3.824 9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -23.942 2.889 6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.194 2.695 8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.079 3.575 10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.708 3.082 10.256 1.00 0.00 H new ATOM 525 N ILE A 37 -17.346 1.564 6.829 1.00 0.00 N ATOM 526 CA ILE A 37 -17.064 0.174 7.165 1.00 0.00 C ATOM 527 C ILE A 37 -17.354 -0.107 8.635 1.00 0.00 C ATOM 528 O ILE A 37 -17.074 0.720 9.503 1.00 0.00 O ATOM 529 CB ILE A 37 -15.598 -0.191 6.864 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.652 0.709 7.661 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.318 -0.075 5.373 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.700 -0.055 8.554 1.00 0.00 C ATOM 0 H ILE A 37 -17.134 2.229 7.572 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.718 -0.439 6.545 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.427 -1.224 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -14.075 1.320 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -15.242 1.392 8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.278 -0.336 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.972 -0.754 4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.503 0.948 5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.060 0.647 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.269 -0.646 9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.084 -0.718 7.946 1.00 0.00 H new ATOM 544 N SER A 38 -17.917 -1.280 8.908 1.00 0.00 N ATOM 545 CA SER A 38 -18.247 -1.670 10.274 1.00 0.00 C ATOM 546 C SER A 38 -17.157 -2.559 10.864 1.00 0.00 C ATOM 547 O SER A 38 -16.554 -3.384 10.178 1.00 0.00 O ATOM 548 CB SER A 38 -19.591 -2.401 10.307 1.00 0.00 C ATOM 549 OG SER A 38 -19.725 -3.168 11.491 1.00 0.00 O ATOM 0 H SER A 38 -18.154 -1.977 8.202 1.00 0.00 H new ATOM 0 HA SER A 38 -18.318 -0.765 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.404 -1.677 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.676 -3.052 9.437 1.00 0.00 H new ATOM 0 HG SER A 38 -20.592 -3.624 11.489 1.00 0.00 H new ATOM 555 N PRO A 39 -16.897 -2.387 12.169 1.00 0.00 N ATOM 556 CA PRO A 39 -17.608 -1.407 12.996 1.00 0.00 C ATOM 557 C PRO A 39 -17.245 0.029 12.634 1.00 0.00 C ATOM 558 O PRO A 39 -16.156 0.294 12.126 1.00 0.00 O ATOM 559 CB PRO A 39 -17.141 -1.736 14.416 1.00 0.00 C ATOM 560 CG PRO A 39 -15.811 -2.383 14.237 1.00 0.00 C ATOM 561 CD PRO A 39 -15.888 -3.136 12.937 1.00 0.00 C ATOM 0 HA PRO A 39 -18.688 -1.468 12.863 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.064 -0.836 15.026 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.841 -2.403 14.919 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.015 -1.638 14.210 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.590 -3.056 15.065 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.926 -3.154 12.426 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.187 -4.173 13.090 1.00 0.00 H new ATOM 569 N ALA A 40 -18.164 0.951 12.899 1.00 0.00 N ATOM 570 CA ALA A 40 -17.939 2.361 12.604 1.00 0.00 C ATOM 571 C ALA A 40 -16.727 2.894 13.361 1.00 0.00 C ATOM 572 O ALA A 40 -16.169 3.931 13.007 1.00 0.00 O ATOM 573 CB ALA A 40 -19.177 3.176 12.945 1.00 0.00 C ATOM 0 H ALA A 40 -19.072 0.747 13.317 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.738 2.456 11.537 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.994 4.227 12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -20.021 2.820 12.355 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.404 3.067 14.005 1.00 0.00 H new ATOM 579 N ASN A 41 -16.327 2.177 14.407 1.00 0.00 N ATOM 580 CA ASN A 41 -15.182 2.580 15.215 1.00 0.00 C ATOM 581 C ASN A 41 -14.016 1.613 15.027 1.00 0.00 C ATOM 582 O ASN A 41 -13.321 1.268 15.983 1.00 0.00 O ATOM 583 CB ASN A 41 -15.572 2.643 16.694 1.00 0.00 C ATOM 584 CG ASN A 41 -16.528 3.782 16.991 1.00 0.00 C ATOM 585 OD1 ASN A 41 -16.530 4.802 16.301 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.346 3.613 18.022 1.00 0.00 N ATOM 0 H ASN A 41 -16.778 1.315 14.714 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.867 3.570 14.886 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.033 1.700 16.986 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.673 2.759 17.299 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -18.011 4.345 18.270 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.309 2.751 18.566 1.00 0.00 H new ATOM 593 N TYR A 42 -13.808 1.182 13.788 1.00 0.00 N ATOM 594 CA TYR A 42 -12.728 0.254 13.474 1.00 0.00 C ATOM 595 C TYR A 42 -11.425 1.003 13.211 1.00 0.00 C ATOM 596 O TYR A 42 -11.412 2.028 12.530 1.00 0.00 O ATOM 597 CB TYR A 42 -13.095 -0.595 12.255 1.00 0.00 C ATOM 598 CG TYR A 42 -12.119 -1.718 11.984 1.00 0.00 C ATOM 599 CD1 TYR A 42 -12.278 -2.963 12.581 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.039 -1.534 11.129 1.00 0.00 C ATOM 601 CE1 TYR A 42 -11.388 -3.991 12.336 1.00 0.00 C ATOM 602 CE2 TYR A 42 -10.146 -2.557 10.877 1.00 0.00 C ATOM 603 CZ TYR A 42 -10.324 -3.784 11.483 1.00 0.00 C ATOM 604 OH TYR A 42 -9.437 -4.806 11.235 1.00 0.00 O ATOM 0 H TYR A 42 -14.372 1.460 12.985 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.584 -0.400 14.334 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -14.089 -1.017 12.402 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.148 0.049 11.377 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.111 -3.130 13.248 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.896 -0.575 10.654 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.525 -4.952 12.810 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.313 -2.398 10.209 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.706 -5.602 11.739 1.00 0.00 H new ATOM 614 N GLU A 43 -10.330 0.483 13.757 1.00 0.00 N ATOM 615 CA GLU A 43 -9.022 1.102 13.583 1.00 0.00 C ATOM 616 C GLU A 43 -7.941 0.303 14.305 1.00 0.00 C ATOM 617 O GLU A 43 -8.215 -0.481 15.213 1.00 0.00 O ATOM 618 CB GLU A 43 -9.041 2.541 14.102 1.00 0.00 C ATOM 619 CG GLU A 43 -9.956 2.745 15.298 1.00 0.00 C ATOM 620 CD GLU A 43 -9.595 3.975 16.107 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.231 5.002 15.496 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.676 3.911 17.352 1.00 0.00 O ATOM 0 H GLU A 43 -10.323 -0.365 14.323 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.792 1.111 12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.027 2.833 14.377 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.356 3.205 13.297 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.986 2.832 14.952 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.909 1.866 15.941 1.00 0.00 H new ATOM 629 N PRO A 44 -6.681 0.506 13.892 1.00 0.00 N ATOM 630 CA PRO A 44 -6.341 1.437 12.812 1.00 0.00 C ATOM 631 C PRO A 44 -6.812 0.939 11.449 1.00 0.00 C ATOM 632 O PRO A 44 -7.348 -0.162 11.331 1.00 0.00 O ATOM 633 CB PRO A 44 -4.813 1.496 12.861 1.00 0.00 C ATOM 634 CG PRO A 44 -4.403 0.201 13.473 1.00 0.00 C ATOM 635 CD PRO A 44 -5.490 -0.159 14.448 1.00 0.00 C ATOM 0 HA PRO A 44 -6.822 2.406 12.943 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.389 1.614 11.864 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.468 2.342 13.456 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.290 -0.571 12.712 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.441 0.295 13.978 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.627 -1.238 14.516 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.263 0.198 15.453 1.00 0.00 H new ATOM 643 N VAL A 45 -6.606 1.758 10.422 1.00 0.00 N ATOM 644 CA VAL A 45 -7.008 1.400 9.067 1.00 0.00 C ATOM 645 C VAL A 45 -5.818 1.434 8.114 1.00 0.00 C ATOM 646 O VAL A 45 -4.836 2.136 8.356 1.00 0.00 O ATOM 647 CB VAL A 45 -8.103 2.346 8.538 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.427 2.072 9.233 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.686 3.798 8.720 1.00 0.00 C ATOM 0 H VAL A 45 -6.163 2.673 10.503 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.405 0.386 9.112 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.235 2.161 7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.188 2.750 8.846 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.730 1.042 9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.314 2.228 10.306 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.471 4.452 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.525 4.000 9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.763 3.983 8.171 1.00 0.00 H new ATOM 659 N HIS A 46 -5.914 0.671 7.030 1.00 0.00 N ATOM 660 CA HIS A 46 -4.845 0.614 6.039 1.00 0.00 C ATOM 661 C HIS A 46 -5.349 1.062 4.670 1.00 0.00 C ATOM 662 O HIS A 46 -6.522 0.884 4.342 1.00 0.00 O ATOM 663 CB HIS A 46 -4.279 -0.803 5.949 1.00 0.00 C ATOM 664 CG HIS A 46 -3.766 -1.328 7.254 1.00 0.00 C ATOM 665 ND1 HIS A 46 -2.957 -0.592 8.095 1.00 0.00 N ATOM 666 CD2 HIS A 46 -3.953 -2.522 7.864 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.667 -1.312 9.164 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.259 -2.487 9.048 1.00 0.00 N ATOM 0 H HIS A 46 -6.720 0.084 6.815 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.053 1.293 6.355 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.055 -1.472 5.578 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.470 -0.816 5.218 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.539 -3.348 7.489 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.051 -0.994 9.992 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.209 -3.246 9.728 1.00 0.00 H new ATOM 676 N TRP A 47 -4.456 1.643 3.877 1.00 0.00 N ATOM 677 CA TRP A 47 -4.812 2.117 2.544 1.00 0.00 C ATOM 678 C TRP A 47 -3.706 1.803 1.543 1.00 0.00 C ATOM 679 O TRP A 47 -2.528 2.046 1.808 1.00 0.00 O ATOM 680 CB TRP A 47 -5.082 3.622 2.571 1.00 0.00 C ATOM 681 CG TRP A 47 -6.326 3.989 3.322 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.508 3.950 4.675 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.560 4.449 2.762 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.782 4.358 4.990 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.447 4.671 3.834 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.003 4.697 1.460 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.748 5.127 3.641 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.295 5.150 1.270 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.155 5.362 2.356 1.00 0.00 C ATOM 0 H TRP A 47 -3.481 1.797 4.133 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.718 1.599 2.230 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.230 4.129 3.024 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.163 3.988 1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.761 3.644 5.392 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.169 4.418 5.932 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.347 4.537 0.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.413 5.290 4.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.648 5.344 0.268 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.159 5.718 2.175 1.00 0.00 H new ATOM 700 N PHE A 48 -4.091 1.264 0.391 1.00 0.00 N ATOM 701 CA PHE A 48 -3.131 0.917 -0.650 1.00 0.00 C ATOM 702 C PHE A 48 -3.613 1.398 -2.016 1.00 0.00 C ATOM 703 O PHE A 48 -4.798 1.670 -2.209 1.00 0.00 O ATOM 704 CB PHE A 48 -2.904 -0.596 -0.681 1.00 0.00 C ATOM 705 CG PHE A 48 -2.403 -1.154 0.621 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.275 -1.385 1.672 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.060 -1.446 0.793 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.817 -1.898 2.871 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.596 -1.960 1.989 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.476 -2.185 3.030 1.00 0.00 C ATOM 0 H PHE A 48 -5.062 1.058 0.155 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.189 1.414 -0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.839 -1.090 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.188 -0.832 -1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.325 -1.162 1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.367 -1.270 -0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.507 -2.074 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.453 -2.186 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.116 -2.585 3.966 1.00 0.00 H new ATOM 720 N LEU A 49 -2.684 1.502 -2.960 1.00 0.00 N ATOM 721 CA LEU A 49 -3.012 1.951 -4.309 1.00 0.00 C ATOM 722 C LEU A 49 -2.248 1.143 -5.353 1.00 0.00 C ATOM 723 O LEU A 49 -1.046 1.331 -5.540 1.00 0.00 O ATOM 724 CB LEU A 49 -2.692 3.438 -4.465 1.00 0.00 C ATOM 725 CG LEU A 49 -3.035 4.061 -5.819 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.890 3.866 -6.801 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.320 3.463 -6.370 1.00 0.00 C ATOM 0 H LEU A 49 -1.698 1.282 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.079 1.797 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.226 3.987 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.627 3.581 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.187 5.131 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.152 4.316 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.991 4.342 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.706 2.800 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.549 3.918 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.196 2.388 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.138 3.654 -5.675 1.00 0.00 H new ATOM 739 N ASP A 50 -2.954 0.245 -6.031 1.00 0.00 N ATOM 740 CA ASP A 50 -2.343 -0.590 -7.059 1.00 0.00 C ATOM 741 C ASP A 50 -1.350 -1.571 -6.443 1.00 0.00 C ATOM 742 O ASP A 50 -1.650 -2.754 -6.279 1.00 0.00 O ATOM 743 CB ASP A 50 -1.639 0.280 -8.101 1.00 0.00 C ATOM 744 CG ASP A 50 -2.372 0.299 -9.429 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.615 0.183 -9.422 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.701 0.431 -10.475 1.00 0.00 O ATOM 0 H ASP A 50 -3.950 0.076 -5.887 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.134 -1.160 -7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.553 1.298 -7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.625 -0.090 -8.254 1.00 0.00 H new ATOM 751 N LYS A 51 -0.166 -1.073 -6.105 1.00 0.00 N ATOM 752 CA LYS A 51 0.872 -1.904 -5.507 1.00 0.00 C ATOM 753 C LYS A 51 1.804 -1.067 -4.636 1.00 0.00 C ATOM 754 O LYS A 51 3.022 -1.248 -4.659 1.00 0.00 O ATOM 755 CB LYS A 51 1.677 -2.613 -6.598 1.00 0.00 C ATOM 756 CG LYS A 51 2.238 -1.672 -7.650 1.00 0.00 C ATOM 757 CD LYS A 51 1.873 -2.125 -9.054 1.00 0.00 C ATOM 758 CE LYS A 51 2.896 -3.105 -9.607 1.00 0.00 C ATOM 759 NZ LYS A 51 3.895 -2.431 -10.482 1.00 0.00 N ATOM 0 H LYS A 51 0.099 -0.097 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 51 0.388 -2.651 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.499 -3.158 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.040 -3.351 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.856 -0.665 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.323 -1.621 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.889 -2.593 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.806 -1.258 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.410 -3.597 -8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.384 -3.883 -10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.574 -3.133 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.408 -1.983 -11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.402 -1.706 -9.936 1.00 0.00 H new ATOM 773 N THR A 52 1.223 -0.153 -3.865 1.00 0.00 N ATOM 774 CA THR A 52 2.001 0.711 -2.986 1.00 0.00 C ATOM 775 C THR A 52 1.188 1.131 -1.767 1.00 0.00 C ATOM 776 O THR A 52 0.055 1.601 -1.878 1.00 0.00 O ATOM 777 CB THR A 52 2.487 1.973 -3.724 1.00 0.00 C ATOM 778 OG1 THR A 52 3.162 1.605 -4.932 1.00 0.00 O ATOM 779 CG2 THR A 52 3.422 2.788 -2.843 1.00 0.00 C ATOM 0 H THR A 52 0.216 0.008 -3.832 1.00 0.00 H new ATOM 0 HA THR A 52 2.866 0.133 -2.661 1.00 0.00 H new ATOM 0 HB THR A 52 1.617 2.583 -3.966 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.466 2.413 -5.396 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.752 3.674 -3.385 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.896 3.091 -1.938 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.288 2.183 -2.574 1.00 0.00 H new ATOM 787 N PRO A 53 1.776 0.958 -0.574 1.00 0.00 N ATOM 788 CA PRO A 53 1.123 1.314 0.689 1.00 0.00 C ATOM 789 C PRO A 53 0.985 2.823 0.866 1.00 0.00 C ATOM 790 O PRO A 53 1.814 3.593 0.380 1.00 0.00 O ATOM 791 CB PRO A 53 2.063 0.736 1.750 1.00 0.00 C ATOM 792 CG PRO A 53 3.396 0.682 1.086 1.00 0.00 C ATOM 793 CD PRO A 53 3.124 0.403 -0.366 1.00 0.00 C ATOM 0 HA PRO A 53 0.106 0.927 0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.089 1.364 2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.739 -0.255 2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.932 1.623 1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.019 -0.098 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.860 0.882 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.157 -0.665 -0.583 1.00 0.00 H new ATOM 801 N LEU A 54 -0.066 3.238 1.563 1.00 0.00 N ATOM 802 CA LEU A 54 -0.313 4.656 1.804 1.00 0.00 C ATOM 803 C LEU A 54 -0.417 4.944 3.299 1.00 0.00 C ATOM 804 O LEU A 54 -1.165 4.282 4.019 1.00 0.00 O ATOM 805 CB LEU A 54 -1.595 5.098 1.098 1.00 0.00 C ATOM 806 CG LEU A 54 -1.602 4.965 -0.426 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.999 4.632 -0.926 1.00 0.00 C ATOM 808 CD2 LEU A 54 -1.091 6.242 -1.075 1.00 0.00 C ATOM 0 H LEU A 54 -0.761 2.613 1.972 1.00 0.00 H new ATOM 0 HA LEU A 54 0.529 5.220 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.425 4.516 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.785 6.141 1.353 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.935 4.149 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.985 4.541 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.327 3.690 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.688 5.426 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.103 6.129 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.732 7.077 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.072 6.437 -0.742 1.00 0.00 H new ATOM 820 N HIS A 55 0.337 5.938 3.758 1.00 0.00 N ATOM 821 CA HIS A 55 0.327 6.316 5.167 1.00 0.00 C ATOM 822 C HIS A 55 0.205 7.829 5.323 1.00 0.00 C ATOM 823 O HIS A 55 0.717 8.590 4.503 1.00 0.00 O ATOM 824 CB HIS A 55 1.598 5.822 5.858 1.00 0.00 C ATOM 825 CG HIS A 55 1.918 4.388 5.569 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.218 3.334 6.118 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.870 3.835 4.780 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.726 2.196 5.681 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.729 2.471 4.868 1.00 0.00 N ATOM 0 H HIS A 55 0.962 6.496 3.176 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.539 5.849 5.637 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.437 6.443 5.545 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.490 5.952 6.935 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.603 4.367 4.192 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.379 1.208 5.944 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.306 1.783 4.384 1.00 0.00 H new ATOM 837 N ALA A 56 -0.478 8.257 6.380 1.00 0.00 N ATOM 838 CA ALA A 56 -0.666 9.678 6.643 1.00 0.00 C ATOM 839 C ALA A 56 0.670 10.412 6.679 1.00 0.00 C ATOM 840 O ALA A 56 1.608 9.980 7.348 1.00 0.00 O ATOM 841 CB ALA A 56 -1.415 9.878 7.952 1.00 0.00 C ATOM 0 H ALA A 56 -0.910 7.640 7.068 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.259 10.097 5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.548 10.944 8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.391 9.396 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.844 9.438 8.769 1.00 0.00 H new ATOM 847 N ASN A 57 0.750 11.523 5.954 1.00 0.00 N ATOM 848 CA ASN A 57 1.973 12.316 5.902 1.00 0.00 C ATOM 849 C ASN A 57 1.666 13.767 5.547 1.00 0.00 C ATOM 850 O ASN A 57 0.503 14.159 5.446 1.00 0.00 O ATOM 851 CB ASN A 57 2.946 11.724 4.880 1.00 0.00 C ATOM 852 CG ASN A 57 3.486 10.374 5.310 1.00 0.00 C ATOM 853 OD1 ASN A 57 4.019 10.227 6.410 1.00 0.00 O ATOM 854 ND2 ASN A 57 3.349 9.378 4.442 1.00 0.00 N ATOM 0 H ASN A 57 -0.018 11.895 5.394 1.00 0.00 H new ATOM 0 HA ASN A 57 2.434 12.292 6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.441 11.621 3.919 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.777 12.414 4.731 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.692 8.446 4.676 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.901 9.545 3.541 1.00 0.00 H new ATOM 861 N GLU A 58 2.716 14.560 5.359 1.00 0.00 N ATOM 862 CA GLU A 58 2.558 15.968 5.015 1.00 0.00 C ATOM 863 C GLU A 58 1.636 16.134 3.810 1.00 0.00 C ATOM 864 O GLU A 58 0.972 17.160 3.658 1.00 0.00 O ATOM 865 CB GLU A 58 3.919 16.601 4.720 1.00 0.00 C ATOM 866 CG GLU A 58 3.827 18.006 4.150 1.00 0.00 C ATOM 867 CD GLU A 58 4.812 18.963 4.794 1.00 0.00 C ATOM 868 OE1 GLU A 58 6.031 18.781 4.599 1.00 0.00 O ATOM 869 OE2 GLU A 58 4.361 19.894 5.494 1.00 0.00 O ATOM 0 H GLU A 58 3.685 14.251 5.439 1.00 0.00 H new ATOM 0 HA GLU A 58 2.107 16.475 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.504 16.629 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.460 15.968 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.010 17.971 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.814 18.385 4.289 1.00 0.00 H new ATOM 876 N LEU A 59 1.602 15.118 2.955 1.00 0.00 N ATOM 877 CA LEU A 59 0.762 15.149 1.762 1.00 0.00 C ATOM 878 C LEU A 59 -0.432 14.213 1.912 1.00 0.00 C ATOM 879 O LEU A 59 -1.542 14.534 1.487 1.00 0.00 O ATOM 880 CB LEU A 59 1.579 14.759 0.529 1.00 0.00 C ATOM 881 CG LEU A 59 2.957 15.411 0.403 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.809 14.665 -0.612 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.820 16.875 0.014 1.00 0.00 C ATOM 0 H LEU A 59 2.146 14.262 3.065 1.00 0.00 H new ATOM 0 HA LEU A 59 0.389 16.166 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.710 13.677 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.999 15.007 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 59 3.453 15.358 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.786 15.143 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.935 13.631 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.318 14.686 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.810 17.323 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.304 16.950 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.248 17.402 0.777 1.00 0.00 H new ATOM 895 N ASN A 60 -0.198 13.055 2.521 1.00 0.00 N ATOM 896 CA ASN A 60 -1.255 12.073 2.729 1.00 0.00 C ATOM 897 C ASN A 60 -2.101 12.433 3.946 1.00 0.00 C ATOM 898 O ASN A 60 -1.574 12.663 5.034 1.00 0.00 O ATOM 899 CB ASN A 60 -0.656 10.677 2.906 1.00 0.00 C ATOM 900 CG ASN A 60 0.355 10.340 1.826 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.450 10.902 1.789 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.009 9.420 0.940 1.00 0.00 N ATOM 0 H ASN A 60 0.715 12.774 2.879 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.897 12.077 1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.176 10.612 3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.456 9.937 2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.629 9.153 0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.927 8.980 1.009 1.00 0.00 H new ATOM 909 N GLU A 61 -3.416 12.480 3.754 1.00 0.00 N ATOM 910 CA GLU A 61 -4.334 12.812 4.836 1.00 0.00 C ATOM 911 C GLU A 61 -5.369 11.708 5.031 1.00 0.00 C ATOM 912 O GLU A 61 -5.990 11.249 4.072 1.00 0.00 O ATOM 913 CB GLU A 61 -5.038 14.140 4.548 1.00 0.00 C ATOM 914 CG GLU A 61 -5.158 15.042 5.765 1.00 0.00 C ATOM 915 CD GLU A 61 -6.439 14.808 6.541 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.501 14.657 5.902 1.00 0.00 O ATOM 917 OE2 GLU A 61 -6.380 14.775 7.788 1.00 0.00 O ATOM 0 H GLU A 61 -3.869 12.292 2.859 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.753 12.908 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.492 14.669 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.035 13.936 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.304 14.875 6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.116 16.083 5.446 1.00 0.00 H new ATOM 924 N ILE A 62 -5.548 11.285 6.278 1.00 0.00 N ATOM 925 CA ILE A 62 -6.507 10.236 6.599 1.00 0.00 C ATOM 926 C ILE A 62 -7.371 10.626 7.793 1.00 0.00 C ATOM 927 O ILE A 62 -6.962 10.474 8.944 1.00 0.00 O ATOM 928 CB ILE A 62 -5.800 8.902 6.905 1.00 0.00 C ATOM 929 CG1 ILE A 62 -4.990 8.438 5.692 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.816 7.844 7.307 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.592 7.978 6.039 1.00 0.00 C ATOM 0 H ILE A 62 -5.041 11.653 7.083 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.141 10.110 5.722 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.114 9.054 7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.521 7.622 5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.927 9.255 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.301 6.907 7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.352 8.174 8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.524 7.692 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.077 7.664 5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.044 8.798 6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.647 7.140 6.734 1.00 0.00 H new ATOM 943 N ASP A 63 -8.568 11.128 7.511 1.00 0.00 N ATOM 944 CA ASP A 63 -9.492 11.538 8.562 1.00 0.00 C ATOM 945 C ASP A 63 -10.254 10.338 9.114 1.00 0.00 C ATOM 946 O ASP A 63 -10.008 9.199 8.718 1.00 0.00 O ATOM 947 CB ASP A 63 -10.475 12.581 8.027 1.00 0.00 C ATOM 948 CG ASP A 63 -10.758 13.679 9.033 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.808 14.392 9.416 1.00 0.00 O ATOM 950 OD2 ASP A 63 -11.931 13.824 9.439 1.00 0.00 O ATOM 0 H ASP A 63 -8.921 11.261 6.563 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.911 11.979 9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.072 13.022 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.410 12.090 7.757 1.00 0.00 H new ATOM 955 N ALA A 64 -11.179 10.601 10.031 1.00 0.00 N ATOM 956 CA ALA A 64 -11.978 9.543 10.637 1.00 0.00 C ATOM 957 C ALA A 64 -13.368 10.047 11.006 1.00 0.00 C ATOM 958 O ALA A 64 -13.740 10.065 12.179 1.00 0.00 O ATOM 959 CB ALA A 64 -11.272 8.987 11.865 1.00 0.00 C ATOM 0 H ALA A 64 -11.394 11.538 10.371 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.094 8.744 9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.880 8.198 12.308 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.304 8.580 11.575 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.127 9.785 12.593 1.00 0.00 H new ATOM 965 N GLN A 65 -14.131 10.457 9.998 1.00 0.00 N ATOM 966 CA GLN A 65 -15.481 10.964 10.218 1.00 0.00 C ATOM 967 C GLN A 65 -16.298 9.987 11.057 1.00 0.00 C ATOM 968 O GLN A 65 -15.973 8.805 11.171 1.00 0.00 O ATOM 969 CB GLN A 65 -16.179 11.214 8.881 1.00 0.00 C ATOM 970 CG GLN A 65 -15.934 12.605 8.318 1.00 0.00 C ATOM 971 CD GLN A 65 -16.455 12.762 6.903 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.479 12.183 6.538 1.00 0.00 O ATOM 973 NE2 GLN A 65 -15.752 13.548 6.096 1.00 0.00 N ATOM 0 H GLN A 65 -13.838 10.448 9.021 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.405 11.906 10.761 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.838 10.473 8.158 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.251 11.066 9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.413 13.343 8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.865 12.816 8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.909 14.009 6.440 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.055 13.691 5.133 1.00 0.00 H new ATOM 982 N PRO A 66 -17.386 10.490 11.659 1.00 0.00 N ATOM 983 CA PRO A 66 -18.273 9.678 12.498 1.00 0.00 C ATOM 984 C PRO A 66 -19.071 8.664 11.686 1.00 0.00 C ATOM 985 O PRO A 66 -19.636 8.995 10.644 1.00 0.00 O ATOM 986 CB PRO A 66 -19.208 10.713 13.130 1.00 0.00 C ATOM 987 CG PRO A 66 -19.210 11.856 12.174 1.00 0.00 C ATOM 988 CD PRO A 66 -17.835 11.890 11.567 1.00 0.00 C ATOM 0 HA PRO A 66 -17.717 9.085 13.225 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.211 10.309 13.266 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.852 11.020 14.113 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.972 11.722 11.407 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.434 12.792 12.685 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.860 12.237 10.534 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.172 12.561 12.112 1.00 0.00 H new ATOM 996 N GLY A 67 -19.114 7.427 12.171 1.00 0.00 N ATOM 997 CA GLY A 67 -19.846 6.383 11.477 1.00 0.00 C ATOM 998 C GLY A 67 -18.941 5.492 10.650 1.00 0.00 C ATOM 999 O GLY A 67 -19.411 4.730 9.805 1.00 0.00 O ATOM 0 H GLY A 67 -18.655 7.129 13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.383 5.775 12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.594 6.838 10.828 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.637 5.587 10.892 1.00 0.00 N ATOM 1004 CA GLY A 68 -16.684 4.778 10.154 1.00 0.00 C ATOM 1005 C GLY A 68 -16.437 5.307 8.755 1.00 0.00 C ATOM 1006 O GLY A 68 -16.082 4.549 7.851 1.00 0.00 O ATOM 0 H GLY A 68 -17.223 6.210 11.586 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.741 4.746 10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.052 3.754 10.092 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.626 6.609 8.574 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.425 7.237 7.273 1.00 0.00 C ATOM 1012 C TYR A 69 -14.965 7.638 7.082 1.00 0.00 C ATOM 1013 O TYR A 69 -14.620 8.818 7.141 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.325 8.465 7.132 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.720 8.141 6.646 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.496 7.185 7.289 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.260 8.790 5.543 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.771 6.885 6.848 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.534 8.498 5.095 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.285 7.544 5.751 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.554 7.249 5.307 1.00 0.00 O ATOM 0 H TYR A 69 -16.918 7.250 9.311 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.688 6.512 6.503 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.393 8.968 8.097 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.862 9.167 6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.096 6.667 8.148 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.674 9.536 5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.361 6.139 7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.940 9.013 4.237 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.817 6.363 5.634 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.112 6.646 6.850 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.688 6.893 6.648 1.00 0.00 C ATOM 1033 C HIS A 70 -12.452 7.689 5.368 1.00 0.00 C ATOM 1034 O HIS A 70 -12.702 7.200 4.266 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.923 5.571 6.589 1.00 0.00 C ATOM 1036 CG HIS A 70 -11.984 4.786 7.863 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.519 5.270 9.068 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.461 3.545 8.116 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.706 4.359 10.007 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.276 3.303 9.455 1.00 0.00 N ATOM 0 H HIS A 70 -14.381 5.664 6.797 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.322 7.478 7.492 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.325 4.964 5.778 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.880 5.775 6.347 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -11.097 6.187 9.212 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.905 2.871 7.398 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.438 4.461 11.048 1.00 0.00 H new ATOM 1048 N VAL A 71 -11.969 8.918 5.521 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.699 9.781 4.378 1.00 0.00 C ATOM 1050 C VAL A 71 -10.201 9.889 4.112 1.00 0.00 C ATOM 1051 O VAL A 71 -9.413 10.131 5.028 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.273 11.194 4.593 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.114 12.033 3.334 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.734 11.117 5.011 1.00 0.00 C ATOM 0 H VAL A 71 -11.757 9.338 6.426 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.187 9.326 3.516 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.714 11.676 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.525 13.028 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.057 12.116 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.646 11.557 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.124 12.124 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.309 10.616 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.817 10.556 5.942 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.815 9.708 2.854 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.411 9.785 2.467 1.00 0.00 C ATOM 1066 C LEU A 72 -8.183 10.913 1.466 1.00 0.00 C ATOM 1067 O LEU A 72 -8.591 10.822 0.307 1.00 0.00 O ATOM 1068 CB LEU A 72 -7.953 8.455 1.866 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.525 8.420 1.321 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.554 7.958 2.396 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.442 7.515 0.100 1.00 0.00 C ATOM 0 H LEU A 72 -10.454 9.507 2.085 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.824 9.994 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.048 7.683 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.635 8.190 1.058 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.247 9.430 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.543 7.939 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.593 8.645 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.829 6.957 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.418 7.502 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.740 6.504 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.108 7.890 -0.677 1.00 0.00 H new ATOM 1083 N THR A 73 -7.527 11.977 1.919 1.00 0.00 N ATOM 1084 CA THR A 73 -7.244 13.122 1.064 1.00 0.00 C ATOM 1085 C THR A 73 -5.798 13.106 0.584 1.00 0.00 C ATOM 1086 O THR A 73 -4.919 13.704 1.207 1.00 0.00 O ATOM 1087 CB THR A 73 -7.516 14.450 1.795 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.684 14.329 2.614 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.703 15.587 0.801 1.00 0.00 C ATOM 0 H THR A 73 -7.182 12.069 2.874 1.00 0.00 H new ATOM 0 HA THR A 73 -7.910 13.046 0.204 1.00 0.00 H new ATOM 0 HB THR A 73 -6.654 14.676 2.423 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.849 15.177 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.894 16.515 1.341 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.801 15.696 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.549 15.366 0.150 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.555 12.418 -0.526 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.213 12.325 -1.091 1.00 0.00 C ATOM 1099 C LEU A 74 -3.816 13.632 -1.770 1.00 0.00 C ATOM 1100 O LEU A 74 -4.147 13.865 -2.932 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.140 11.173 -2.095 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.798 9.799 -1.516 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.173 8.699 -2.496 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.319 9.722 -1.165 1.00 0.00 C ATOM 0 H LEU A 74 -6.270 11.916 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.515 12.134 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.100 11.101 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.395 11.422 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.376 9.656 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.922 7.729 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.243 8.741 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.622 8.837 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.093 8.738 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.723 9.886 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.080 10.487 -0.426 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.102 14.480 -1.037 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.658 15.763 -1.568 1.00 0.00 C ATOM 1118 C ARG A 75 -1.392 15.597 -2.403 1.00 0.00 C ATOM 1119 O ARG A 75 -0.530 14.778 -2.084 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.404 16.751 -0.428 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.544 16.832 0.573 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.338 17.969 1.561 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.606 18.521 2.033 1.00 0.00 N ATOM 1124 CZ ARG A 75 -4.726 19.245 3.140 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -3.660 19.503 3.886 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -5.913 19.712 3.504 1.00 0.00 N ATOM 0 H ARG A 75 -2.819 14.302 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.447 16.155 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.492 16.462 0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.230 17.741 -0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.486 16.975 0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.623 15.889 1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.760 17.609 2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.753 18.758 1.089 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.445 18.340 1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.746 19.145 3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.755 20.059 4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.735 19.515 2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.003 20.268 4.354 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.288 16.379 -3.473 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.128 16.316 -4.354 1.00 0.00 C ATOM 1142 C GLN A 76 0.005 14.933 -4.983 1.00 0.00 C ATOM 1143 O GLN A 76 1.019 14.255 -4.809 1.00 0.00 O ATOM 1144 CB GLN A 76 1.146 16.662 -3.581 1.00 0.00 C ATOM 1145 CG GLN A 76 1.056 17.973 -2.816 1.00 0.00 C ATOM 1146 CD GLN A 76 2.413 18.612 -2.592 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.380 18.303 -3.289 1.00 0.00 O ATOM 1148 NE2 GLN A 76 2.491 19.509 -1.616 1.00 0.00 N ATOM 0 H GLN A 76 -1.992 17.063 -3.750 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.270 17.045 -5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.366 15.856 -2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.982 16.715 -4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.418 18.666 -3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.579 17.795 -1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.664 19.735 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.378 19.973 -1.419 1.00 0.00 H new ATOM 1157 N LEU A 77 -1.025 14.520 -5.713 1.00 0.00 N ATOM 1158 CA LEU A 77 -1.024 13.216 -6.368 1.00 0.00 C ATOM 1159 C LEU A 77 -0.186 13.248 -7.642 1.00 0.00 C ATOM 1160 O LEU A 77 0.378 14.281 -8.001 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.455 12.788 -6.697 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.231 12.116 -5.563 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.695 11.952 -5.942 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.614 10.768 -5.220 1.00 0.00 C ATOM 0 H LEU A 77 -1.871 15.068 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.583 12.492 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.011 13.668 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.423 12.103 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.174 12.755 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.231 11.472 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.132 12.931 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.772 11.335 -6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.179 10.304 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.640 10.122 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.580 10.911 -4.905 1.00 0.00 H new ATOM 1176 N ALA A 78 -0.110 12.109 -8.323 1.00 0.00 N ATOM 1177 CA ALA A 78 0.656 12.007 -9.559 1.00 0.00 C ATOM 1178 C ALA A 78 -0.048 11.105 -10.568 1.00 0.00 C ATOM 1179 O ALA A 78 -0.862 10.259 -10.197 1.00 0.00 O ATOM 1180 CB ALA A 78 2.057 11.488 -9.271 1.00 0.00 C ATOM 0 H ALA A 78 -0.570 11.244 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 78 0.733 13.004 -9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.617 11.417 -10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.566 12.173 -8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.992 10.502 -8.811 1.00 0.00 H new ATOM 1186 N LEU A 79 0.271 11.292 -11.844 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.331 10.495 -12.907 1.00 0.00 C ATOM 1188 C LEU A 79 -0.059 9.009 -12.695 1.00 0.00 C ATOM 1189 O LEU A 79 -0.798 8.155 -13.186 1.00 0.00 O ATOM 1190 CB LEU A 79 0.210 10.934 -14.269 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.057 12.388 -14.659 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.872 12.818 -15.785 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.512 12.573 -15.066 1.00 0.00 C ATOM 0 H LEU A 79 0.943 11.988 -12.167 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.409 10.656 -12.881 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.287 10.767 -14.281 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.221 10.288 -15.034 1.00 0.00 H new ATOM 0 HG LEU A 79 0.140 13.018 -13.792 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.667 13.856 -16.049 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.908 12.724 -15.458 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.707 12.183 -16.655 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.684 13.614 -15.340 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.736 11.932 -15.918 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.160 12.306 -14.231 1.00 0.00 H new ATOM 1205 N LYS A 80 1.004 8.707 -11.958 1.00 0.00 N ATOM 1206 CA LYS A 80 1.373 7.324 -11.676 1.00 0.00 C ATOM 1207 C LYS A 80 0.461 6.724 -10.611 1.00 0.00 C ATOM 1208 O LYS A 80 0.373 5.504 -10.471 1.00 0.00 O ATOM 1209 CB LYS A 80 2.831 7.247 -11.217 1.00 0.00 C ATOM 1210 CG LYS A 80 3.048 7.740 -9.797 1.00 0.00 C ATOM 1211 CD LYS A 80 4.508 7.639 -9.389 1.00 0.00 C ATOM 1212 CE LYS A 80 4.741 8.220 -8.003 1.00 0.00 C ATOM 1213 NZ LYS A 80 4.717 7.168 -6.949 1.00 0.00 N ATOM 0 H LYS A 80 1.626 9.402 -11.545 1.00 0.00 H new ATOM 0 HA LYS A 80 1.257 6.749 -12.594 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.172 6.214 -11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.448 7.836 -11.895 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.717 8.775 -9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.436 7.155 -9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.820 6.595 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.127 8.167 -10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.702 8.734 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.976 8.966 -7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.880 7.604 -6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.791 6.695 -6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.464 6.469 -7.139 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.217 7.589 -9.864 1.00 0.00 N ATOM 1228 CA ASP A 81 -1.125 7.144 -8.813 1.00 0.00 C ATOM 1229 C ASP A 81 -2.397 6.551 -9.409 1.00 0.00 C ATOM 1230 O ASP A 81 -3.093 5.769 -8.760 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.476 8.309 -7.886 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.618 7.875 -6.440 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.581 7.624 -5.791 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.767 7.786 -5.957 1.00 0.00 O ATOM 0 H ASP A 81 -0.155 8.602 -9.967 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.621 6.369 -8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.702 9.073 -7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.408 8.766 -8.218 1.00 0.00 H new ATOM 1239 N SER A 82 -2.696 6.928 -10.648 1.00 0.00 N ATOM 1240 CA SER A 82 -3.888 6.437 -11.330 1.00 0.00 C ATOM 1241 C SER A 82 -3.959 4.915 -11.271 1.00 0.00 C ATOM 1242 O SER A 82 -3.236 4.220 -11.984 1.00 0.00 O ATOM 1243 CB SER A 82 -3.896 6.903 -12.787 1.00 0.00 C ATOM 1244 OG SER A 82 -3.379 8.218 -12.905 1.00 0.00 O ATOM 0 H SER A 82 -2.129 7.572 -11.200 1.00 0.00 H new ATOM 0 HA SER A 82 -4.762 6.844 -10.821 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.302 6.220 -13.394 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.914 6.873 -13.176 1.00 0.00 H new ATOM 0 HG SER A 82 -2.520 8.191 -13.375 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.838 4.402 -10.414 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.988 2.965 -10.277 1.00 0.00 C ATOM 1252 C GLY A 83 -6.288 2.581 -9.598 1.00 0.00 C ATOM 1253 O GLY A 83 -7.372 2.827 -10.129 1.00 0.00 O ATOM 0 H GLY A 83 -5.448 4.956 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.946 2.503 -11.263 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.151 2.568 -9.703 1.00 0.00 H new ATOM 1257 N THR A 84 -6.182 1.974 -8.420 1.00 0.00 N ATOM 1258 CA THR A 84 -7.357 1.552 -7.668 1.00 0.00 C ATOM 1259 C THR A 84 -7.046 1.435 -6.181 1.00 0.00 C ATOM 1260 O THR A 84 -6.243 0.596 -5.770 1.00 0.00 O ATOM 1261 CB THR A 84 -7.894 0.201 -8.177 1.00 0.00 C ATOM 1262 OG1 THR A 84 -8.172 0.282 -9.580 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.156 -0.197 -7.427 1.00 0.00 C ATOM 0 H THR A 84 -5.293 1.764 -7.966 1.00 0.00 H new ATOM 0 HA THR A 84 -8.119 2.317 -7.817 1.00 0.00 H new ATOM 0 HB THR A 84 -7.132 -0.558 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.511 -0.581 -9.897 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.517 -1.154 -7.804 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.934 -0.286 -6.363 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.923 0.563 -7.576 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.686 2.278 -5.379 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.478 2.266 -3.936 1.00 0.00 C ATOM 1273 C ILE A 85 -7.982 0.966 -3.318 1.00 0.00 C ATOM 1274 O ILE A 85 -9.180 0.683 -3.333 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.186 3.453 -3.255 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.662 4.777 -3.815 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.989 3.394 -1.748 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.206 5.034 -3.495 1.00 0.00 C ATOM 0 H ILE A 85 -8.353 2.978 -5.703 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.404 2.351 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.254 3.389 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.794 4.782 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.263 5.594 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.495 4.239 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.406 2.464 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.924 3.437 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.903 5.990 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.070 5.061 -2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.594 4.237 -3.917 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.060 0.180 -2.775 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.410 -1.091 -2.152 1.00 0.00 C ATOM 1292 C TYR A 86 -7.437 -0.964 -0.632 1.00 0.00 C ATOM 1293 O TYR A 86 -6.485 -1.341 0.052 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.416 -2.177 -2.566 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.628 -2.688 -3.973 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.721 -3.488 -4.285 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.737 -2.370 -4.991 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.918 -3.958 -5.569 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.928 -2.834 -6.278 1.00 0.00 C ATOM 1300 CZ TYR A 86 -7.019 -3.628 -6.562 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.214 -4.092 -7.843 1.00 0.00 O ATOM 0 H TYR A 86 -6.064 0.400 -2.753 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.407 -1.371 -2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.403 -1.783 -2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.493 -3.012 -1.870 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.428 -3.746 -3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.881 -1.749 -4.772 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.771 -4.581 -5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.227 -2.576 -7.058 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.492 -3.768 -8.422 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.536 -0.429 -0.109 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.689 -0.251 1.330 1.00 0.00 C ATOM 1313 C PHE A 87 -8.605 -1.591 2.056 1.00 0.00 C ATOM 1314 O PHE A 87 -8.968 -2.630 1.506 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.025 0.427 1.642 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.312 0.538 3.112 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.642 1.466 3.894 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.251 -0.285 3.712 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.904 1.571 5.247 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.517 -0.184 5.065 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.842 0.744 5.833 1.00 0.00 C ATOM 0 H PHE A 87 -9.333 -0.111 -0.660 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.876 0.384 1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.028 1.425 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.828 -0.134 1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.907 2.114 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.781 -1.013 3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.376 2.299 5.845 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.252 -0.831 5.521 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.047 0.823 6.890 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.122 -1.557 3.294 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.988 -2.768 4.095 1.00 0.00 C ATOM 1333 C GLU A 88 -8.560 -2.561 5.494 1.00 0.00 C ATOM 1334 O GLU A 88 -8.304 -1.543 6.137 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.519 -3.184 4.189 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.128 -4.266 3.196 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.636 -4.539 3.188 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.054 -4.680 4.284 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.051 -4.611 2.087 1.00 0.00 O ATOM 0 H GLU A 88 -7.817 -0.704 3.764 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.552 -3.561 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.891 -2.308 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.314 -3.539 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.661 -5.186 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.444 -3.968 2.196 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.336 -3.534 5.960 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.944 -3.460 7.283 1.00 0.00 C ATOM 1348 C ALA A 89 -10.410 -4.834 7.750 1.00 0.00 C ATOM 1349 O ALA A 89 -11.485 -5.298 7.370 1.00 0.00 O ATOM 1350 CB ALA A 89 -11.107 -2.480 7.275 1.00 0.00 C ATOM 0 H ALA A 89 -9.559 -4.383 5.441 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.189 -3.104 7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.552 -2.435 8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.747 -1.491 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.857 -2.811 6.557 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.595 -5.482 8.577 1.00 0.00 N ATOM 1357 CA GLY A 90 -9.941 -6.797 9.082 1.00 0.00 C ATOM 1358 C GLY A 90 -9.727 -7.889 8.052 1.00 0.00 C ATOM 1359 O GLY A 90 -8.594 -8.300 7.800 1.00 0.00 O ATOM 0 H GLY A 90 -8.701 -5.119 8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.341 -7.013 9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.984 -6.799 9.397 1.00 0.00 H new ATOM 1363 N ASP A 91 -10.817 -8.360 7.456 1.00 0.00 N ATOM 1364 CA ASP A 91 -10.743 -9.411 6.448 1.00 0.00 C ATOM 1365 C ASP A 91 -11.366 -8.949 5.135 1.00 0.00 C ATOM 1366 O ASP A 91 -11.390 -9.691 4.154 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.449 -10.674 6.945 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.144 -11.884 6.084 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -9.949 -12.199 5.905 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -12.101 -12.516 5.588 1.00 0.00 O ATOM 0 H ASP A 91 -11.762 -8.031 7.653 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.692 -9.637 6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.145 -10.876 7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.525 -10.504 6.959 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.871 -7.719 5.125 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.496 -7.159 3.933 1.00 0.00 C ATOM 1377 C GLN A 92 -11.483 -6.373 3.106 1.00 0.00 C ATOM 1378 O GLN A 92 -10.298 -6.330 3.435 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.667 -6.255 4.321 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.874 -7.016 4.846 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.638 -7.727 3.746 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.348 -7.098 2.961 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.497 -9.046 3.685 1.00 0.00 N ATOM 0 H GLN A 92 -11.859 -7.092 5.929 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.870 -7.985 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.334 -5.549 5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.967 -5.669 3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.545 -7.746 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.542 -6.323 5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.898 -9.526 4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.988 -9.579 2.967 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.959 -5.754 2.030 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.095 -4.971 1.155 1.00 0.00 C ATOM 1394 C ARG A 93 -11.912 -4.253 0.085 1.00 0.00 C ATOM 1395 O ARG A 93 -12.597 -4.888 -0.716 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.050 -5.872 0.496 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.934 -5.105 -0.195 1.00 0.00 C ATOM 1398 CD ARG A 93 -8.324 -5.912 -1.331 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.265 -6.106 -2.431 1.00 0.00 N ATOM 1400 CZ ARG A 93 -9.033 -6.908 -3.464 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -7.897 -7.587 -3.538 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -9.939 -7.032 -4.426 1.00 0.00 N ATOM 0 H ARG A 93 -12.938 -5.780 1.744 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.587 -4.222 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.616 -6.525 1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.544 -6.514 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.324 -4.164 -0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.160 -4.854 0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.434 -5.402 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.002 -6.883 -0.954 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.149 -5.598 -2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.198 -7.494 -2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.721 -8.202 -4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.814 -6.511 -4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.760 -7.648 -5.219 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.835 -2.927 0.078 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.566 -2.124 -0.894 1.00 0.00 C ATOM 1418 C ALA A 94 -11.764 -1.956 -2.181 1.00 0.00 C ATOM 1419 O ALA A 94 -10.621 -2.403 -2.274 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.910 -0.764 -0.303 1.00 0.00 C ATOM 0 H ALA A 94 -11.273 -2.386 0.735 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.491 -2.646 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.456 -0.175 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.529 -0.899 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.992 -0.243 -0.030 1.00 0.00 H new ATOM 1426 N SER A 95 -12.372 -1.309 -3.171 1.00 0.00 N ATOM 1427 CA SER A 95 -11.716 -1.087 -4.454 1.00 0.00 C ATOM 1428 C SER A 95 -12.429 0.004 -5.246 1.00 0.00 C ATOM 1429 O SER A 95 -13.511 -0.215 -5.791 1.00 0.00 O ATOM 1430 CB SER A 95 -11.683 -2.383 -5.265 1.00 0.00 C ATOM 1431 OG SER A 95 -12.980 -2.940 -5.391 1.00 0.00 O ATOM 0 H SER A 95 -13.317 -0.930 -3.109 1.00 0.00 H new ATOM 0 HA SER A 95 -10.694 -0.762 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.271 -2.186 -6.255 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.021 -3.101 -4.781 1.00 0.00 H new ATOM 0 HG SER A 95 -13.627 -2.226 -5.569 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.815 1.181 -5.306 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.389 2.307 -6.033 1.00 0.00 C ATOM 1439 C ALA A 96 -11.502 2.713 -7.205 1.00 0.00 C ATOM 1440 O ALA A 96 -10.276 2.698 -7.102 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.602 3.486 -5.096 1.00 0.00 C ATOM 0 H ALA A 96 -10.920 1.380 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.354 1.996 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.031 4.320 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.282 3.196 -4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.646 3.789 -4.669 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.130 3.076 -8.318 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.398 3.488 -9.509 1.00 0.00 C ATOM 1449 C ALA A 97 -10.709 4.831 -9.293 1.00 0.00 C ATOM 1450 O ALA A 97 -11.334 5.887 -9.411 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.334 3.559 -10.707 1.00 0.00 C ATOM 0 H ALA A 97 -13.145 3.093 -8.420 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.628 2.742 -9.708 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.773 3.868 -11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.775 2.578 -10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.125 4.282 -10.508 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.420 4.786 -8.977 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.646 6.001 -8.743 1.00 0.00 C ATOM 1459 C LEU A 98 -8.084 6.548 -10.051 1.00 0.00 C ATOM 1460 O LEU A 98 -7.001 6.156 -10.486 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.506 5.722 -7.762 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.411 6.787 -7.686 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -7.022 8.170 -7.521 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.453 6.485 -6.542 1.00 0.00 C ATOM 0 H LEU A 98 -8.888 3.922 -8.877 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.312 6.750 -8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.932 5.596 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.044 4.773 -8.033 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.848 6.770 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.228 8.915 -7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.667 8.387 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.609 8.201 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.680 7.253 -6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.002 6.474 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.990 5.512 -6.703 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.827 7.458 -10.673 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.402 8.060 -11.931 1.00 0.00 C ATOM 1478 C ARG A 99 -7.698 9.392 -11.686 1.00 0.00 C ATOM 1479 O ARG A 99 -8.112 10.177 -10.834 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.605 8.270 -12.853 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.288 6.976 -13.266 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.008 7.127 -14.597 1.00 0.00 C ATOM 1483 NE ARG A 99 -10.119 6.886 -15.731 1.00 0.00 N ATOM 1484 CZ ARG A 99 -10.549 6.611 -16.957 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -11.850 6.544 -17.207 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -9.679 6.403 -17.936 1.00 0.00 N ATOM 0 H ARG A 99 -9.725 7.794 -10.326 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.699 7.379 -12.411 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.330 8.910 -12.350 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.278 8.800 -13.748 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.547 6.180 -13.340 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.001 6.678 -12.497 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.845 6.429 -14.638 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.426 8.131 -14.671 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.112 6.931 -15.572 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.522 6.704 -16.457 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.178 6.333 -18.149 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.678 6.454 -17.748 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.011 6.192 -18.877 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.630 9.638 -12.439 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.869 10.874 -12.304 1.00 0.00 C ATOM 1502 C VAL A 100 -5.250 11.286 -13.636 1.00 0.00 C ATOM 1503 O VAL A 100 -4.337 10.631 -14.139 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.751 10.732 -11.254 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.927 12.008 -11.176 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.339 10.384 -9.895 1.00 0.00 C ATOM 0 H VAL A 100 -6.273 8.998 -13.148 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.569 11.643 -11.978 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.091 9.920 -11.558 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.142 11.889 -10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.476 12.210 -12.148 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.572 12.841 -10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.535 10.287 -9.165 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.022 11.174 -9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.882 9.441 -9.964 1.00 0.00 H new ATOM 1516 N THR A 101 -5.754 12.378 -14.203 1.00 0.00 N ATOM 1517 CA THR A 101 -5.252 12.878 -15.477 1.00 0.00 C ATOM 1518 C THR A 101 -4.251 14.008 -15.267 1.00 0.00 C ATOM 1519 O THR A 101 -4.082 14.500 -14.152 1.00 0.00 O ATOM 1520 CB THR A 101 -6.399 13.382 -16.373 1.00 0.00 C ATOM 1521 OG1 THR A 101 -6.932 14.602 -15.846 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.503 12.342 -16.475 1.00 0.00 C ATOM 0 H THR A 101 -6.509 12.933 -13.800 1.00 0.00 H new ATOM 0 HA THR A 101 -4.755 12.043 -15.972 1.00 0.00 H new ATOM 0 HB THR A 101 -5.999 13.562 -17.371 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.660 14.917 -16.422 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.302 12.721 -17.113 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.100 11.425 -16.904 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.900 12.134 -15.481 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.590 14.415 -16.347 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.605 15.488 -16.279 1.00 0.00 C ATOM 1532 C GLU A 102 -3.195 16.726 -15.609 1.00 0.00 C ATOM 1533 O GLU A 102 -4.413 16.865 -15.497 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.108 15.843 -17.682 1.00 0.00 C ATOM 1535 CG GLU A 102 -0.869 15.070 -18.102 1.00 0.00 C ATOM 1536 CD GLU A 102 -0.804 14.839 -19.599 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -0.558 15.813 -20.340 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -1.001 13.683 -20.029 1.00 0.00 O ATOM 0 H GLU A 102 -3.719 14.018 -17.278 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.764 15.138 -15.681 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.906 15.652 -18.400 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.891 16.910 -17.722 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.020 15.615 -17.784 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.854 14.108 -17.589 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.321 17.623 -15.164 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.752 18.850 -14.505 1.00 0.00 C ATOM 1547 C LYS A 103 -2.146 20.074 -15.184 1.00 0.00 C ATOM 1548 O LYS A 103 -1.114 19.996 -15.852 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.356 18.826 -13.027 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.969 19.383 -12.759 1.00 0.00 C ATOM 1551 CD LYS A 103 0.108 18.535 -13.415 1.00 0.00 C ATOM 1552 CE LYS A 103 1.495 18.911 -12.914 1.00 0.00 C ATOM 1553 NZ LYS A 103 1.854 18.173 -11.671 1.00 0.00 N ATOM 0 H LYS A 103 -1.309 17.523 -15.248 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.837 18.913 -14.583 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.085 19.400 -12.455 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.402 17.799 -12.664 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.907 20.405 -13.134 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.795 19.427 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.081 17.481 -13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.064 18.662 -14.497 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.231 18.697 -13.689 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.534 19.984 -12.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.481 18.762 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.990 17.951 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.343 17.290 -11.921 1.00 0.00 H new