USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 731 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 79 GLN : amide:sc= -3.52! C(o=-4.2!,f=-6.1!) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.749 K(o=-4.2,f=-7.3) USER MOD Set 1.3: A 96 GLN : amide:sc= 0.0185 X(o=-4.2,f=-4.6) USER MOD Single : A 11 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.25) USER MOD Single : A 16 GLN : amide:sc= -1.69! C(o=-1.7!,f=-3!) USER MOD Single : A 21 THR OG1 : rot -71:sc= 0.209! USER MOD Single : A 25 SER OG : rot -81:sc= 0.88 USER MOD Single : A 26 GLN : amide:sc= -3.8! K(o=-3.8!,f=-0.72) USER MOD Single : A 27 HIS : no HD1:sc=-0.00316 X(o=-0.0032,f=-0.1) USER MOD Single : A 30 GLN : amide:sc= -0.553 K(o=-0.55,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -8.71! C(o=-8.7!,f=-6.5!) USER MOD Single : A 42 THR OG1 : rot -63:sc= -0.305 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 51 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.041) USER MOD Single : A 55 GLN : amide:sc= -2.21 K(o=-2.2,f=-1.6) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -127:sc= 0.199 (180deg=-2.33) USER MOD Single : A 77 SER OG : rot 180:sc= -0.341 USER MOD Single : A 82 SER OG : rot 66:sc= -5.34! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.046 USER MOD Single : A 89 GLN : amide:sc= -7.54! C(o=-7.5!,f=-4.2!) USER MOD Single : A 92 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -3.457 -4.046 16.893 1.00 0.00 N ATOM 133 CA GLN A 11 -2.204 -3.818 16.183 1.00 0.00 C ATOM 134 C GLN A 11 -2.478 -3.111 14.856 1.00 0.00 C ATOM 135 O GLN A 11 -3.181 -3.647 14.000 1.00 0.00 O ATOM 136 CB GLN A 11 -1.503 -5.152 15.903 1.00 0.00 C ATOM 137 CG GLN A 11 -1.472 -6.003 17.174 1.00 0.00 C ATOM 138 CD GLN A 11 -0.224 -5.681 17.990 1.00 0.00 C ATOM 139 OE1 GLN A 11 -0.272 -5.668 19.220 1.00 0.00 O ATOM 140 NE2 GLN A 11 0.897 -5.420 17.375 1.00 0.00 N ATOM 0 HA GLN A 11 -1.562 -3.195 16.806 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.025 -5.687 15.110 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.487 -4.972 15.551 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.365 -5.813 17.770 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.482 -7.061 16.913 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.934 -5.431 16.356 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.736 -5.205 17.914 1.00 0.00 H new ATOM 149 N PRO A 12 -1.943 -1.932 14.663 1.00 0.00 N ATOM 150 CA PRO A 12 -2.155 -1.175 13.403 1.00 0.00 C ATOM 151 C PRO A 12 -1.647 -1.953 12.196 1.00 0.00 C ATOM 152 O PRO A 12 -0.751 -2.787 12.320 1.00 0.00 O ATOM 153 CB PRO A 12 -1.368 0.130 13.570 1.00 0.00 C ATOM 154 CG PRO A 12 -0.718 0.100 14.920 1.00 0.00 C ATOM 155 CD PRO A 12 -1.089 -1.211 15.616 1.00 0.00 C ATOM 0 HA PRO A 12 -3.215 -0.994 13.226 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.617 0.227 12.786 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.031 0.991 13.484 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.364 0.181 14.820 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.047 0.951 15.517 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.199 -1.790 15.862 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.616 -1.023 16.552 1.00 0.00 H new ATOM 163 N LEU A 13 -2.210 -1.673 11.027 1.00 0.00 N ATOM 164 CA LEU A 13 -1.782 -2.354 9.819 1.00 0.00 C ATOM 165 C LEU A 13 -0.412 -1.839 9.421 1.00 0.00 C ATOM 166 O LEU A 13 -0.197 -0.631 9.335 1.00 0.00 O ATOM 167 CB LEU A 13 -2.775 -2.093 8.684 1.00 0.00 C ATOM 168 CG LEU A 13 -2.527 -3.078 7.539 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.643 -2.940 6.509 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.187 -2.768 6.871 1.00 0.00 C ATOM 0 H LEU A 13 -2.954 -0.988 10.893 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.738 -3.427 10.007 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.796 -2.198 9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.669 -1.069 8.324 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.508 -4.094 7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.472 -3.639 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.601 -3.160 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.655 -1.922 6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.015 -3.472 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.204 -1.752 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.385 -2.858 7.604 1.00 0.00 H new ATOM 182 N LEU A 14 0.516 -2.751 9.180 1.00 0.00 N ATOM 183 CA LEU A 14 1.847 -2.349 8.799 1.00 0.00 C ATOM 184 C LEU A 14 1.980 -2.385 7.285 1.00 0.00 C ATOM 185 O LEU A 14 1.876 -3.437 6.654 1.00 0.00 O ATOM 186 CB LEU A 14 2.856 -3.272 9.476 1.00 0.00 C ATOM 187 CG LEU A 14 2.638 -3.218 10.991 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.781 -3.943 11.706 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.590 -1.758 11.453 1.00 0.00 C ATOM 0 H LEU A 14 0.370 -3.759 9.242 1.00 0.00 H new ATOM 0 HA LEU A 14 2.044 -1.327 9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.735 -4.293 9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.872 -2.965 9.230 1.00 0.00 H new ATOM 0 HG LEU A 14 1.694 -3.707 11.234 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.621 -3.901 12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.810 -4.984 11.383 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.727 -3.461 11.461 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.435 -1.723 12.531 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.531 -1.267 11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.770 -1.244 10.951 1.00 0.00 H new ATOM 201 N LEU A 15 2.174 -1.208 6.713 1.00 0.00 N ATOM 202 CA LEU A 15 2.287 -1.071 5.272 1.00 0.00 C ATOM 203 C LEU A 15 3.603 -0.385 4.915 1.00 0.00 C ATOM 204 O LEU A 15 3.945 0.648 5.490 1.00 0.00 O ATOM 205 CB LEU A 15 1.093 -0.240 4.779 1.00 0.00 C ATOM 206 CG LEU A 15 0.876 -0.432 3.280 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.094 0.089 2.524 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.666 -1.920 2.979 1.00 0.00 C ATOM 0 H LEU A 15 2.257 -0.331 7.228 1.00 0.00 H new ATOM 0 HA LEU A 15 2.279 -2.050 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.193 -0.532 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.266 0.815 4.993 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.007 0.122 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.943 -0.046 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.231 1.149 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.980 -0.462 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.511 -2.056 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.545 -2.482 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.208 -2.281 3.521 1.00 0.00 H new ATOM 220 N GLN A 16 4.342 -0.958 3.968 1.00 0.00 N ATOM 221 CA GLN A 16 5.616 -0.373 3.565 1.00 0.00 C ATOM 222 C GLN A 16 5.683 -0.177 2.058 1.00 0.00 C ATOM 223 O GLN A 16 5.066 -0.917 1.292 1.00 0.00 O ATOM 224 CB GLN A 16 6.777 -1.257 4.022 1.00 0.00 C ATOM 225 CG GLN A 16 7.039 -1.020 5.508 1.00 0.00 C ATOM 226 CD GLN A 16 8.139 -1.954 6.001 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.288 -3.064 5.490 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.928 -1.566 6.965 1.00 0.00 N ATOM 0 H GLN A 16 4.086 -1.812 3.473 1.00 0.00 H new ATOM 0 HA GLN A 16 5.697 0.604 4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.541 -2.306 3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.672 -1.030 3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.331 0.017 5.673 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.125 -1.189 6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.803 -0.646 7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.670 -2.183 7.296 1.00 0.00 H new ATOM 237 N LEU A 17 6.442 0.831 1.646 1.00 0.00 N ATOM 238 CA LEU A 17 6.598 1.135 0.233 1.00 0.00 C ATOM 239 C LEU A 17 8.071 1.319 -0.113 1.00 0.00 C ATOM 240 O LEU A 17 8.791 2.049 0.567 1.00 0.00 O ATOM 241 CB LEU A 17 5.820 2.408 -0.110 1.00 0.00 C ATOM 242 CG LEU A 17 5.881 2.666 -1.619 1.00 0.00 C ATOM 243 CD1 LEU A 17 4.868 1.775 -2.342 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.554 4.133 -1.898 1.00 0.00 C ATOM 0 H LEU A 17 6.958 1.450 2.271 1.00 0.00 H new ATOM 0 HA LEU A 17 6.205 0.302 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.783 2.308 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.239 3.257 0.430 1.00 0.00 H new ATOM 0 HG LEU A 17 6.884 2.437 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.917 1.964 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.100 0.728 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.864 1.998 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.597 4.318 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.553 4.359 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.279 4.770 -1.391 1.00 0.00 H new ATOM 256 N PHE A 18 8.513 0.658 -1.179 1.00 0.00 N ATOM 257 CA PHE A 18 9.904 0.768 -1.605 1.00 0.00 C ATOM 258 C PHE A 18 10.035 1.826 -2.690 1.00 0.00 C ATOM 259 O PHE A 18 9.397 1.734 -3.739 1.00 0.00 O ATOM 260 CB PHE A 18 10.397 -0.574 -2.153 1.00 0.00 C ATOM 261 CG PHE A 18 10.645 -1.541 -1.019 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.578 -2.243 -0.446 1.00 0.00 C ATOM 263 CD2 PHE A 18 11.949 -1.745 -0.552 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.816 -3.149 0.595 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.188 -2.649 0.490 1.00 0.00 C ATOM 266 CZ PHE A 18 11.121 -3.351 1.064 1.00 0.00 C ATOM 0 H PHE A 18 7.936 0.048 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 18 10.507 1.052 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.658 -0.988 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.314 -0.427 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.572 -2.086 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.772 -1.204 -0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.994 -3.692 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.194 -2.805 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.304 -4.048 1.868 1.00 0.00 H new ATOM 276 N VAL A 19 10.864 2.830 -2.434 1.00 0.00 N ATOM 277 CA VAL A 19 11.058 3.896 -3.407 1.00 0.00 C ATOM 278 C VAL A 19 12.540 4.213 -3.585 1.00 0.00 C ATOM 279 O VAL A 19 13.331 4.093 -2.649 1.00 0.00 O ATOM 280 CB VAL A 19 10.322 5.155 -2.950 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.882 4.796 -2.574 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.033 5.748 -1.734 1.00 0.00 C ATOM 0 H VAL A 19 11.405 2.928 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 19 10.657 3.559 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 19 10.315 5.886 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.357 5.694 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.374 4.373 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.889 4.065 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.508 6.646 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.040 5.018 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.058 6.004 -2.001 1.00 0.00 H new ATOM 292 N ASP A 20 12.900 4.639 -4.792 1.00 0.00 N ATOM 293 CA ASP A 20 14.281 5.000 -5.087 1.00 0.00 C ATOM 294 C ASP A 20 14.425 6.518 -5.072 1.00 0.00 C ATOM 295 O ASP A 20 15.364 7.072 -5.640 1.00 0.00 O ATOM 296 CB ASP A 20 14.700 4.448 -6.450 1.00 0.00 C ATOM 297 CG ASP A 20 13.936 5.158 -7.558 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.316 6.167 -7.268 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.984 4.686 -8.682 1.00 0.00 O ATOM 0 H ASP A 20 12.258 4.742 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 20 14.930 4.567 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.772 4.584 -6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.506 3.376 -6.493 1.00 0.00 H new ATOM 304 N THR A 21 13.471 7.176 -4.417 1.00 0.00 N ATOM 305 CA THR A 21 13.462 8.633 -4.318 1.00 0.00 C ATOM 306 C THR A 21 12.982 9.272 -5.619 1.00 0.00 C ATOM 307 O THR A 21 13.060 10.490 -5.783 1.00 0.00 O ATOM 308 CB THR A 21 14.863 9.148 -3.977 1.00 0.00 C ATOM 309 OG1 THR A 21 15.654 9.194 -5.156 1.00 0.00 O ATOM 310 CG2 THR A 21 15.516 8.213 -2.958 1.00 0.00 C ATOM 0 H THR A 21 12.690 6.720 -3.945 1.00 0.00 H new ATOM 0 HA THR A 21 12.770 8.910 -3.523 1.00 0.00 H new ATOM 0 HB THR A 21 14.788 10.150 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.874 8.282 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.513 8.579 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.910 8.182 -2.052 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.590 7.211 -3.379 1.00 0.00 H new ATOM 318 N ARG A 22 12.469 8.453 -6.534 1.00 0.00 N ATOM 319 CA ARG A 22 11.964 8.971 -7.803 1.00 0.00 C ATOM 320 C ARG A 22 10.620 9.669 -7.581 1.00 0.00 C ATOM 321 O ARG A 22 9.792 9.192 -6.805 1.00 0.00 O ATOM 322 CB ARG A 22 11.797 7.833 -8.813 1.00 0.00 C ATOM 323 CG ARG A 22 10.847 6.776 -8.246 1.00 0.00 C ATOM 324 CD ARG A 22 10.897 5.523 -9.122 1.00 0.00 C ATOM 325 NE ARG A 22 10.341 5.807 -10.439 1.00 0.00 N ATOM 326 CZ ARG A 22 10.801 5.195 -11.526 1.00 0.00 C ATOM 327 NH1 ARG A 22 12.075 4.943 -11.643 1.00 0.00 N ATOM 328 NH2 ARG A 22 9.977 4.847 -12.476 1.00 0.00 N ATOM 0 H ARG A 22 12.392 7.442 -6.424 1.00 0.00 H new ATOM 0 HA ARG A 22 12.682 9.689 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.405 8.222 -9.752 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.766 7.385 -9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.130 6.529 -7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.830 7.167 -8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.927 5.180 -9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.336 4.717 -8.649 1.00 0.00 H new ATOM 0 HE ARG A 22 9.586 6.487 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.719 5.215 -10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.428 4.473 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.981 5.045 -12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.329 4.377 -13.310 1.00 0.00 H new ATOM 342 N PRO A 23 10.390 10.785 -8.228 1.00 0.00 N ATOM 343 CA PRO A 23 9.121 11.548 -8.071 1.00 0.00 C ATOM 344 C PRO A 23 7.896 10.665 -8.284 1.00 0.00 C ATOM 345 O PRO A 23 6.874 10.837 -7.620 1.00 0.00 O ATOM 346 CB PRO A 23 9.171 12.637 -9.149 1.00 0.00 C ATOM 347 CG PRO A 23 10.448 12.456 -9.909 1.00 0.00 C ATOM 348 CD PRO A 23 11.311 11.436 -9.163 1.00 0.00 C ATOM 0 HA PRO A 23 9.034 11.953 -7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.313 12.557 -9.816 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.131 13.628 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.241 12.110 -10.922 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.975 13.406 -9.998 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.754 10.715 -9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.133 11.922 -8.636 1.00 0.00 H new ATOM 356 N LEU A 24 8.003 9.724 -9.217 1.00 0.00 N ATOM 357 CA LEU A 24 6.891 8.829 -9.504 1.00 0.00 C ATOM 358 C LEU A 24 6.437 8.127 -8.227 1.00 0.00 C ATOM 359 O LEU A 24 5.241 7.992 -7.972 1.00 0.00 O ATOM 360 CB LEU A 24 7.312 7.787 -10.540 1.00 0.00 C ATOM 361 CG LEU A 24 6.111 6.915 -10.901 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.222 7.652 -11.904 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.607 5.610 -11.521 1.00 0.00 C ATOM 0 H LEU A 24 8.838 9.563 -9.780 1.00 0.00 H new ATOM 0 HA LEU A 24 6.063 9.417 -9.901 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.698 8.280 -11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.118 7.169 -10.144 1.00 0.00 H new ATOM 0 HG LEU A 24 5.534 6.699 -10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.366 7.027 -12.159 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.871 8.585 -11.463 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.794 7.870 -12.806 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.754 4.983 -11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.183 5.830 -12.420 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.239 5.084 -10.805 1.00 0.00 H new ATOM 375 N SER A 25 7.404 7.696 -7.418 1.00 0.00 N ATOM 376 CA SER A 25 7.094 7.027 -6.163 1.00 0.00 C ATOM 377 C SER A 25 6.393 8.005 -5.231 1.00 0.00 C ATOM 378 O SER A 25 5.398 7.667 -4.590 1.00 0.00 O ATOM 379 CB SER A 25 8.378 6.516 -5.511 1.00 0.00 C ATOM 380 OG SER A 25 9.154 7.623 -5.071 1.00 0.00 O ATOM 0 H SER A 25 8.400 7.799 -7.610 1.00 0.00 H new ATOM 0 HA SER A 25 6.439 6.178 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.138 5.867 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.947 5.918 -6.222 1.00 0.00 H new ATOM 0 HG SER A 25 9.652 7.995 -5.829 1.00 0.00 H new ATOM 386 N GLN A 26 6.895 9.237 -5.199 1.00 0.00 N ATOM 387 CA GLN A 26 6.278 10.273 -4.386 1.00 0.00 C ATOM 388 C GLN A 26 4.886 10.523 -4.934 1.00 0.00 C ATOM 389 O GLN A 26 3.939 10.806 -4.200 1.00 0.00 O ATOM 390 CB GLN A 26 7.107 11.559 -4.452 1.00 0.00 C ATOM 391 CG GLN A 26 8.450 11.338 -3.755 1.00 0.00 C ATOM 392 CD GLN A 26 8.260 11.357 -2.242 1.00 0.00 C ATOM 393 OE1 GLN A 26 9.236 11.372 -1.492 1.00 0.00 O ATOM 394 NE2 GLN A 26 7.053 11.360 -1.746 1.00 0.00 N ATOM 0 H GLN A 26 7.718 9.537 -5.721 1.00 0.00 H new ATOM 0 HA GLN A 26 6.226 9.957 -3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.268 11.847 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.568 12.377 -3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.877 10.384 -4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.155 12.114 -4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.246 11.348 -2.369 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.917 11.375 -0.735 1.00 0.00 H new ATOM 403 N HIS A 27 4.790 10.383 -6.248 1.00 0.00 N ATOM 404 CA HIS A 27 3.538 10.554 -6.962 1.00 0.00 C ATOM 405 C HIS A 27 2.566 9.465 -6.514 1.00 0.00 C ATOM 406 O HIS A 27 1.457 9.739 -6.045 1.00 0.00 O ATOM 407 CB HIS A 27 3.832 10.397 -8.452 1.00 0.00 C ATOM 408 CG HIS A 27 2.937 11.269 -9.275 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.608 11.501 -8.961 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.186 11.977 -10.420 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.110 12.322 -9.905 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.031 12.644 -10.819 1.00 0.00 N ATOM 0 H HIS A 27 5.580 10.147 -6.848 1.00 0.00 H new ATOM 0 HA HIS A 27 3.100 11.532 -6.762 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.873 10.652 -8.649 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.698 9.355 -8.744 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.134 12.013 -10.935 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.090 12.677 -9.922 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.913 13.248 -11.633 1.00 0.00 H new ATOM 420 N ILE A 28 3.023 8.222 -6.645 1.00 0.00 N ATOM 421 CA ILE A 28 2.228 7.073 -6.241 1.00 0.00 C ATOM 422 C ILE A 28 2.002 7.095 -4.736 1.00 0.00 C ATOM 423 O ILE A 28 0.951 6.675 -4.251 1.00 0.00 O ATOM 424 CB ILE A 28 2.941 5.780 -6.642 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.030 5.703 -8.167 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.157 4.578 -6.113 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.816 4.455 -8.574 1.00 0.00 C ATOM 0 H ILE A 28 3.939 7.988 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 28 1.262 7.118 -6.743 1.00 0.00 H new ATOM 0 HB ILE A 28 3.945 5.770 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.030 5.671 -8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.518 6.596 -8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.666 3.657 -6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.093 4.635 -5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.152 4.584 -6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.878 4.402 -9.661 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.821 4.505 -8.155 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.310 3.567 -8.196 1.00 0.00 H new ATOM 439 N VAL A 29 2.991 7.597 -3.999 1.00 0.00 N ATOM 440 CA VAL A 29 2.871 7.672 -2.551 1.00 0.00 C ATOM 441 C VAL A 29 1.624 8.462 -2.185 1.00 0.00 C ATOM 442 O VAL A 29 0.859 8.060 -1.308 1.00 0.00 O ATOM 443 CB VAL A 29 4.107 8.339 -1.946 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.850 8.638 -0.467 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.307 7.395 -2.072 1.00 0.00 C ATOM 0 H VAL A 29 3.870 7.952 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 29 2.792 6.662 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 29 4.316 9.268 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.730 9.114 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.994 9.306 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.643 7.708 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.189 7.869 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.097 6.467 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.489 7.177 -3.124 1.00 0.00 H new ATOM 455 N GLN A 30 1.408 9.575 -2.880 1.00 0.00 N ATOM 456 CA GLN A 30 0.225 10.382 -2.627 1.00 0.00 C ATOM 457 C GLN A 30 -1.011 9.542 -2.882 1.00 0.00 C ATOM 458 O GLN A 30 -1.958 9.551 -2.097 1.00 0.00 O ATOM 459 CB GLN A 30 0.191 11.605 -3.543 1.00 0.00 C ATOM 460 CG GLN A 30 1.336 12.550 -3.192 1.00 0.00 C ATOM 461 CD GLN A 30 1.266 12.928 -1.717 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.853 12.252 -0.873 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.575 13.973 -1.353 1.00 0.00 N ATOM 0 H GLN A 30 2.026 9.932 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 30 0.251 10.722 -1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.272 11.293 -4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.763 12.122 -3.439 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.292 12.073 -3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.280 13.447 -3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.089 14.532 -2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.521 14.231 -0.368 1.00 0.00 H new ATOM 472 N ARG A 31 -0.985 8.799 -3.985 1.00 0.00 N ATOM 473 CA ARG A 31 -2.109 7.944 -4.327 1.00 0.00 C ATOM 474 C ARG A 31 -2.297 6.888 -3.250 1.00 0.00 C ATOM 475 O ARG A 31 -3.422 6.572 -2.867 1.00 0.00 O ATOM 476 CB ARG A 31 -1.869 7.270 -5.676 1.00 0.00 C ATOM 477 CG ARG A 31 -1.782 8.339 -6.765 1.00 0.00 C ATOM 478 CD ARG A 31 -1.704 7.664 -8.132 1.00 0.00 C ATOM 479 NE ARG A 31 -1.349 8.641 -9.157 1.00 0.00 N ATOM 480 CZ ARG A 31 -1.884 8.587 -10.372 1.00 0.00 C ATOM 481 NH1 ARG A 31 -2.023 7.437 -10.974 1.00 0.00 N ATOM 482 NH2 ARG A 31 -2.267 9.684 -10.964 1.00 0.00 N ATOM 0 H ARG A 31 -0.209 8.773 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.009 8.555 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.948 6.689 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.678 6.574 -5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.653 8.993 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.904 8.966 -6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.963 6.865 -8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.662 7.204 -8.374 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.679 9.378 -8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.721 6.579 -10.512 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.434 7.396 -11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.156 10.583 -10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.678 9.643 -11.897 1.00 0.00 H new ATOM 496 N VAL A 32 -1.188 6.356 -2.750 1.00 0.00 N ATOM 497 CA VAL A 32 -1.254 5.349 -1.703 1.00 0.00 C ATOM 498 C VAL A 32 -1.857 5.957 -0.440 1.00 0.00 C ATOM 499 O VAL A 32 -2.810 5.424 0.124 1.00 0.00 O ATOM 500 CB VAL A 32 0.147 4.814 -1.400 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.090 3.886 -0.188 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.668 4.036 -2.612 1.00 0.00 C ATOM 0 H VAL A 32 -0.244 6.602 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.883 4.526 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 32 0.815 5.649 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.089 3.506 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.281 4.438 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.578 3.051 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.666 3.654 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.001 3.202 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.711 4.697 -3.478 1.00 0.00 H new ATOM 512 N LYS A 33 -1.302 7.088 -0.015 1.00 0.00 N ATOM 513 CA LYS A 33 -1.799 7.772 1.169 1.00 0.00 C ATOM 514 C LYS A 33 -3.247 8.211 0.980 1.00 0.00 C ATOM 515 O LYS A 33 -4.066 8.102 1.891 1.00 0.00 O ATOM 516 CB LYS A 33 -0.942 9.002 1.451 1.00 0.00 C ATOM 517 CG LYS A 33 0.458 8.572 1.886 1.00 0.00 C ATOM 518 CD LYS A 33 1.238 9.806 2.339 1.00 0.00 C ATOM 519 CE LYS A 33 2.667 9.410 2.711 1.00 0.00 C ATOM 520 NZ LYS A 33 3.248 10.445 3.612 1.00 0.00 N ATOM 0 H LYS A 33 -0.513 7.546 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.748 7.077 2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.880 9.625 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.405 9.607 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.394 7.848 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.975 8.082 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.253 10.550 1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.744 10.265 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.670 8.438 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.275 9.312 1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.220 10.178 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.258 11.364 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.672 10.517 4.475 1.00 0.00 H new ATOM 534 N ASN A 34 -3.545 8.730 -0.207 1.00 0.00 N ATOM 535 CA ASN A 34 -4.884 9.212 -0.513 1.00 0.00 C ATOM 536 C ASN A 34 -5.920 8.089 -0.447 1.00 0.00 C ATOM 537 O ASN A 34 -6.990 8.257 0.138 1.00 0.00 O ATOM 538 CB ASN A 34 -4.883 9.832 -1.912 1.00 0.00 C ATOM 539 CG ASN A 34 -3.922 11.019 -1.958 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.853 11.799 -1.007 1.00 0.00 O ATOM 541 ND2 ASN A 34 -3.171 11.206 -3.014 1.00 0.00 N ATOM 0 H ASN A 34 -2.876 8.827 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.158 9.958 0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.587 9.086 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.889 10.158 -2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.529 11.998 -3.049 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.228 10.560 -3.801 1.00 0.00 H new ATOM 548 N ILE A 35 -5.604 6.951 -1.056 1.00 0.00 N ATOM 549 CA ILE A 35 -6.527 5.816 -1.063 1.00 0.00 C ATOM 550 C ILE A 35 -6.656 5.185 0.321 1.00 0.00 C ATOM 551 O ILE A 35 -7.764 4.935 0.795 1.00 0.00 O ATOM 552 CB ILE A 35 -6.050 4.762 -2.057 1.00 0.00 C ATOM 553 CG1 ILE A 35 -6.050 5.358 -3.467 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.988 3.553 -2.012 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.383 4.381 -4.439 1.00 0.00 C ATOM 0 H ILE A 35 -4.725 6.788 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.507 6.191 -1.359 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.041 4.445 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.072 5.563 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.518 6.310 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.646 2.801 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.988 3.130 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.999 3.867 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.384 4.808 -5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.356 4.198 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.933 3.440 -4.444 1.00 0.00 H new ATOM 567 N LEU A 36 -5.523 4.918 0.964 1.00 0.00 N ATOM 568 CA LEU A 36 -5.545 4.306 2.289 1.00 0.00 C ATOM 569 C LEU A 36 -6.327 5.177 3.260 1.00 0.00 C ATOM 570 O LEU A 36 -7.124 4.681 4.053 1.00 0.00 O ATOM 571 CB LEU A 36 -4.115 4.114 2.801 1.00 0.00 C ATOM 572 CG LEU A 36 -3.380 3.122 1.899 1.00 0.00 C ATOM 573 CD1 LEU A 36 -1.921 3.016 2.340 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.046 1.750 2.013 1.00 0.00 C ATOM 0 H LEU A 36 -4.592 5.112 0.596 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.033 3.334 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.590 5.069 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.131 3.746 3.827 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.422 3.466 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.397 2.309 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.446 3.994 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.877 2.669 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.526 1.039 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.000 1.408 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.088 1.824 1.702 1.00 0.00 H new ATOM 586 N ALA A 37 -6.110 6.481 3.174 1.00 0.00 N ATOM 587 CA ALA A 37 -6.818 7.416 4.033 1.00 0.00 C ATOM 588 C ALA A 37 -8.284 7.469 3.626 1.00 0.00 C ATOM 589 O ALA A 37 -9.129 7.979 4.361 1.00 0.00 O ATOM 590 CB ALA A 37 -6.197 8.809 3.919 1.00 0.00 C ATOM 0 H ALA A 37 -5.454 6.913 2.523 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.740 7.081 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.735 9.501 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.151 8.767 4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.262 9.153 2.887 1.00 0.00 H new ATOM 596 N ALA A 38 -8.571 6.939 2.440 1.00 0.00 N ATOM 597 CA ALA A 38 -9.930 6.928 1.927 1.00 0.00 C ATOM 598 C ALA A 38 -10.650 5.652 2.339 1.00 0.00 C ATOM 599 O ALA A 38 -11.611 5.238 1.691 1.00 0.00 O ATOM 600 CB ALA A 38 -9.915 7.042 0.400 1.00 0.00 C ATOM 0 H ALA A 38 -7.881 6.514 1.821 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.462 7.781 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.938 7.033 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.430 7.974 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.366 6.200 -0.022 1.00 0.00 H new ATOM 606 N VAL A 39 -10.180 5.024 3.410 1.00 0.00 N ATOM 607 CA VAL A 39 -10.800 3.791 3.869 1.00 0.00 C ATOM 608 C VAL A 39 -10.673 3.637 5.383 1.00 0.00 C ATOM 609 O VAL A 39 -11.581 3.128 6.039 1.00 0.00 O ATOM 610 CB VAL A 39 -10.155 2.593 3.168 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.972 2.081 3.993 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.188 1.475 3.016 1.00 0.00 C ATOM 0 H VAL A 39 -9.387 5.342 3.967 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.861 3.832 3.621 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.800 2.903 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.518 1.228 3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.233 2.875 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.321 1.775 4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.729 0.621 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.543 1.172 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.028 1.834 2.422 1.00 0.00 H new ATOM 622 N GLU A 40 -9.549 4.078 5.932 1.00 0.00 N ATOM 623 CA GLU A 40 -9.329 3.980 7.371 1.00 0.00 C ATOM 624 C GLU A 40 -10.009 2.733 7.929 1.00 0.00 C ATOM 625 O GLU A 40 -9.400 1.666 8.010 1.00 0.00 O ATOM 626 CB GLU A 40 -9.886 5.222 8.068 1.00 0.00 C ATOM 627 CG GLU A 40 -9.146 6.463 7.567 1.00 0.00 C ATOM 628 CD GLU A 40 -9.664 7.704 8.287 1.00 0.00 C ATOM 629 OE1 GLU A 40 -10.642 7.582 9.006 1.00 0.00 O ATOM 630 OE2 GLU A 40 -9.078 8.758 8.106 1.00 0.00 O ATOM 0 H GLU A 40 -8.782 4.503 5.411 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.257 3.911 7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.953 5.316 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.771 5.128 9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.075 6.353 7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.286 6.571 6.491 1.00 0.00 H new ATOM 637 N ALA A 41 -11.275 2.875 8.308 1.00 0.00 N ATOM 638 CA ALA A 41 -12.032 1.751 8.853 1.00 0.00 C ATOM 639 C ALA A 41 -11.765 1.592 10.346 1.00 0.00 C ATOM 640 O ALA A 41 -11.531 0.485 10.827 1.00 0.00 O ATOM 641 CB ALA A 41 -11.652 0.462 8.123 1.00 0.00 C ATOM 0 H ALA A 41 -11.796 3.750 8.249 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.094 1.951 8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.221 -0.371 8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.877 0.565 7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.586 0.272 8.251 1.00 0.00 H new ATOM 647 N THR A 42 -11.806 2.704 11.072 1.00 0.00 N ATOM 648 CA THR A 42 -11.569 2.680 12.515 1.00 0.00 C ATOM 649 C THR A 42 -10.138 2.248 12.823 1.00 0.00 C ATOM 650 O THR A 42 -9.553 2.677 13.817 1.00 0.00 O ATOM 651 CB THR A 42 -12.552 1.727 13.202 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.174 0.384 12.935 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.971 1.974 12.682 1.00 0.00 C ATOM 0 H THR A 42 -12.000 3.630 10.690 1.00 0.00 H new ATOM 0 HA THR A 42 -11.721 3.689 12.897 1.00 0.00 H new ATOM 0 HB THR A 42 -12.531 1.905 14.277 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.236 0.212 11.972 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.663 1.292 13.176 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.262 3.003 12.894 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.999 1.803 11.606 1.00 0.00 H new ATOM 661 N VAL A 43 -9.579 1.398 11.967 1.00 0.00 N ATOM 662 CA VAL A 43 -8.218 0.918 12.160 1.00 0.00 C ATOM 663 C VAL A 43 -7.299 1.493 11.079 1.00 0.00 C ATOM 664 O VAL A 43 -7.225 0.964 9.970 1.00 0.00 O ATOM 665 CB VAL A 43 -8.199 -0.608 12.092 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.663 -1.185 13.431 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.137 -1.084 10.982 1.00 0.00 C ATOM 0 H VAL A 43 -10.046 1.030 11.138 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.862 1.243 13.137 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.185 -0.947 11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.649 -2.274 13.382 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.994 -0.849 14.223 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.676 -0.844 13.643 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.122 -2.173 10.935 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.151 -0.744 11.192 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.807 -0.675 10.027 1.00 0.00 H new ATOM 677 N PRO A 44 -6.615 2.568 11.380 1.00 0.00 N ATOM 678 CA PRO A 44 -5.699 3.232 10.412 1.00 0.00 C ATOM 679 C PRO A 44 -4.492 2.370 10.058 1.00 0.00 C ATOM 680 O PRO A 44 -4.099 1.485 10.818 1.00 0.00 O ATOM 681 CB PRO A 44 -5.254 4.528 11.102 1.00 0.00 C ATOM 682 CG PRO A 44 -5.930 4.584 12.437 1.00 0.00 C ATOM 683 CD PRO A 44 -6.641 3.253 12.677 1.00 0.00 C ATOM 0 HA PRO A 44 -6.208 3.414 9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.171 4.547 11.220 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.524 5.395 10.499 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.199 4.770 13.224 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.645 5.406 12.465 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.133 2.667 13.443 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.664 3.408 13.021 1.00 0.00 H new ATOM 691 N ILE A 45 -3.910 2.646 8.895 1.00 0.00 N ATOM 692 CA ILE A 45 -2.742 1.907 8.432 1.00 0.00 C ATOM 693 C ILE A 45 -1.481 2.736 8.627 1.00 0.00 C ATOM 694 O ILE A 45 -1.494 3.953 8.439 1.00 0.00 O ATOM 695 CB ILE A 45 -2.886 1.570 6.946 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.208 0.836 6.709 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.716 0.680 6.509 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.291 1.846 6.319 1.00 0.00 C ATOM 0 H ILE A 45 -4.228 3.375 8.257 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.668 0.987 9.013 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.879 2.491 6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.087 0.093 5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.504 0.299 7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.817 0.439 5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.776 1.208 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.721 -0.241 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.232 1.323 6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.418 2.572 7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.995 2.363 5.406 1.00 0.00 H new ATOM 710 N SER A 46 -0.387 2.075 8.983 1.00 0.00 N ATOM 711 CA SER A 46 0.875 2.774 9.174 1.00 0.00 C ATOM 712 C SER A 46 1.719 2.625 7.917 1.00 0.00 C ATOM 713 O SER A 46 2.106 1.516 7.547 1.00 0.00 O ATOM 714 CB SER A 46 1.626 2.194 10.372 1.00 0.00 C ATOM 715 OG SER A 46 2.823 2.932 10.577 1.00 0.00 O ATOM 0 H SER A 46 -0.348 1.068 9.143 1.00 0.00 H new ATOM 0 HA SER A 46 0.678 3.829 9.365 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.001 2.238 11.264 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.858 1.144 10.197 1.00 0.00 H new ATOM 0 HG SER A 46 3.307 2.564 11.346 1.00 0.00 H new ATOM 721 N LEU A 47 1.985 3.742 7.250 1.00 0.00 N ATOM 722 CA LEU A 47 2.763 3.704 6.022 1.00 0.00 C ATOM 723 C LEU A 47 4.212 4.097 6.281 1.00 0.00 C ATOM 724 O LEU A 47 4.495 5.195 6.759 1.00 0.00 O ATOM 725 CB LEU A 47 2.157 4.665 4.995 1.00 0.00 C ATOM 726 CG LEU A 47 2.328 4.111 3.573 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.069 5.229 2.563 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.750 3.578 3.370 1.00 0.00 C ATOM 0 H LEU A 47 1.678 4.672 7.535 1.00 0.00 H new ATOM 0 HA LEU A 47 2.740 2.684 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.099 4.814 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.639 5.640 5.072 1.00 0.00 H new ATOM 0 HG LEU A 47 1.619 3.296 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.189 4.841 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.054 5.605 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.779 6.039 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.852 3.190 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.466 4.385 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.945 2.779 4.086 1.00 0.00 H new ATOM 740 N GLN A 48 5.124 3.201 5.934 1.00 0.00 N ATOM 741 CA GLN A 48 6.540 3.460 6.098 1.00 0.00 C ATOM 742 C GLN A 48 7.243 3.315 4.754 1.00 0.00 C ATOM 743 O GLN A 48 6.995 2.365 4.013 1.00 0.00 O ATOM 744 CB GLN A 48 7.134 2.482 7.110 1.00 0.00 C ATOM 745 CG GLN A 48 6.937 3.021 8.529 1.00 0.00 C ATOM 746 CD GLN A 48 7.560 2.062 9.537 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.335 0.853 9.466 1.00 0.00 O ATOM 748 NE2 GLN A 48 8.339 2.528 10.474 1.00 0.00 N ATOM 0 H GLN A 48 4.905 2.288 5.537 1.00 0.00 H new ATOM 0 HA GLN A 48 6.681 4.476 6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.656 1.507 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.196 2.338 6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.394 4.006 8.620 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.874 3.142 8.738 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.525 3.529 10.532 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.762 1.891 11.149 1.00 0.00 H new ATOM 757 N VAL A 49 8.111 4.265 4.437 1.00 0.00 N ATOM 758 CA VAL A 49 8.828 4.229 3.168 1.00 0.00 C ATOM 759 C VAL A 49 10.210 3.631 3.351 1.00 0.00 C ATOM 760 O VAL A 49 10.920 3.955 4.303 1.00 0.00 O ATOM 761 CB VAL A 49 8.973 5.636 2.587 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.506 5.540 1.156 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.610 6.333 2.583 1.00 0.00 C ATOM 0 H VAL A 49 8.335 5.062 5.033 1.00 0.00 H new ATOM 0 HA VAL A 49 8.250 3.610 2.481 1.00 0.00 H new ATOM 0 HB VAL A 49 9.669 6.212 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.611 6.542 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.478 5.046 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.810 4.964 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.715 7.336 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.910 5.760 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.233 6.400 3.603 1.00 0.00 H new ATOM 773 N ILE A 50 10.590 2.765 2.427 1.00 0.00 N ATOM 774 CA ILE A 50 11.894 2.137 2.489 1.00 0.00 C ATOM 775 C ILE A 50 12.728 2.587 1.301 1.00 0.00 C ATOM 776 O ILE A 50 12.332 2.403 0.151 1.00 0.00 O ATOM 777 CB ILE A 50 11.727 0.620 2.461 1.00 0.00 C ATOM 778 CG1 ILE A 50 10.632 0.222 3.454 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.044 -0.044 2.862 1.00 0.00 C ATOM 780 CD1 ILE A 50 10.426 -1.291 3.410 1.00 0.00 C ATOM 0 H ILE A 50 10.017 2.484 1.631 1.00 0.00 H new ATOM 0 HA ILE A 50 12.398 2.426 3.411 1.00 0.00 H new ATOM 0 HB ILE A 50 11.451 0.297 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.910 0.532 4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.701 0.733 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.926 -1.127 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.827 0.248 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.320 0.273 3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.646 -1.573 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.128 -1.589 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.356 -1.793 3.677 1.00 0.00 H new ATOM 792 N ASN A 51 13.881 3.183 1.577 1.00 0.00 N ATOM 793 CA ASN A 51 14.744 3.653 0.508 1.00 0.00 C ATOM 794 C ASN A 51 15.629 2.517 0.013 1.00 0.00 C ATOM 795 O ASN A 51 16.572 2.109 0.691 1.00 0.00 O ATOM 796 CB ASN A 51 15.609 4.810 1.007 1.00 0.00 C ATOM 797 CG ASN A 51 14.808 6.108 0.980 1.00 0.00 C ATOM 798 OD1 ASN A 51 14.753 6.826 1.977 1.00 0.00 O ATOM 799 ND2 ASN A 51 14.178 6.452 -0.110 1.00 0.00 N ATOM 0 H ASN A 51 14.234 3.350 2.519 1.00 0.00 H new ATOM 0 HA ASN A 51 14.125 4.003 -0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.954 4.607 2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.497 4.907 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.639 7.318 -0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.225 5.855 -0.936 1.00 0.00 H new ATOM 806 N VAL A 52 15.310 2.000 -1.168 1.00 0.00 N ATOM 807 CA VAL A 52 16.068 0.895 -1.744 1.00 0.00 C ATOM 808 C VAL A 52 17.541 1.256 -1.910 1.00 0.00 C ATOM 809 O VAL A 52 18.414 0.397 -1.792 1.00 0.00 O ATOM 810 CB VAL A 52 15.479 0.513 -3.102 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.009 0.121 -2.926 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.575 1.709 -4.052 1.00 0.00 C ATOM 0 H VAL A 52 14.534 2.327 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 52 15.999 0.049 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 52 16.034 -0.328 -3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.587 -0.152 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.938 -0.728 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.455 0.964 -2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.155 1.439 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.018 2.549 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.620 1.993 -4.176 1.00 0.00 H new ATOM 822 N ALA A 53 17.816 2.527 -2.184 1.00 0.00 N ATOM 823 CA ALA A 53 19.190 2.973 -2.363 1.00 0.00 C ATOM 824 C ALA A 53 19.922 2.979 -1.029 1.00 0.00 C ATOM 825 O ALA A 53 21.146 2.866 -0.981 1.00 0.00 O ATOM 826 CB ALA A 53 19.212 4.377 -2.968 1.00 0.00 C ATOM 0 H ALA A 53 17.113 3.259 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 53 19.693 2.283 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.245 4.701 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.711 4.364 -3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.696 5.068 -2.302 1.00 0.00 H new ATOM 832 N ASP A 54 19.165 3.118 0.053 1.00 0.00 N ATOM 833 CA ASP A 54 19.762 3.146 1.378 1.00 0.00 C ATOM 834 C ASP A 54 19.820 1.748 1.987 1.00 0.00 C ATOM 835 O ASP A 54 20.576 1.506 2.927 1.00 0.00 O ATOM 836 CB ASP A 54 18.960 4.067 2.297 1.00 0.00 C ATOM 837 CG ASP A 54 19.059 5.508 1.808 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.923 5.774 0.989 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.271 6.321 2.259 1.00 0.00 O ATOM 0 H ASP A 54 18.149 3.212 0.038 1.00 0.00 H new ATOM 0 HA ASP A 54 20.780 3.523 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.916 3.753 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.337 3.994 3.317 1.00 0.00 H new ATOM 844 N GLN A 55 19.011 0.833 1.457 1.00 0.00 N ATOM 845 CA GLN A 55 18.988 -0.530 1.979 1.00 0.00 C ATOM 846 C GLN A 55 18.501 -1.522 0.926 1.00 0.00 C ATOM 847 O GLN A 55 17.395 -2.055 1.022 1.00 0.00 O ATOM 848 CB GLN A 55 18.074 -0.591 3.201 1.00 0.00 C ATOM 849 CG GLN A 55 16.640 -0.277 2.775 1.00 0.00 C ATOM 850 CD GLN A 55 15.969 0.618 3.812 1.00 0.00 C ATOM 851 OE1 GLN A 55 15.801 0.217 4.964 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.575 1.813 3.469 1.00 0.00 N ATOM 0 H GLN A 55 18.373 1.006 0.680 1.00 0.00 H new ATOM 0 HA GLN A 55 20.005 -0.805 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.122 -1.580 3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.407 0.123 3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.641 0.217 1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.075 -1.202 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.716 2.142 2.514 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.126 2.419 4.156 1.00 0.00 H new ATOM 861 N PRO A 56 19.310 -1.779 -0.065 1.00 0.00 N ATOM 862 CA PRO A 56 18.979 -2.732 -1.163 1.00 0.00 C ATOM 863 C PRO A 56 19.064 -4.189 -0.711 1.00 0.00 C ATOM 864 O PRO A 56 18.717 -5.107 -1.458 1.00 0.00 O ATOM 865 CB PRO A 56 20.028 -2.448 -2.247 1.00 0.00 C ATOM 866 CG PRO A 56 20.905 -1.344 -1.737 1.00 0.00 C ATOM 867 CD PRO A 56 20.635 -1.189 -0.243 1.00 0.00 C ATOM 0 HA PRO A 56 17.955 -2.594 -1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.617 -3.341 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.547 -2.157 -3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.955 -1.577 -1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.692 -0.413 -2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.386 -1.705 0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.651 -0.142 0.060 1.00 0.00 H new ATOM 875 N GLN A 57 19.550 -4.393 0.507 1.00 0.00 N ATOM 876 CA GLN A 57 19.712 -5.740 1.043 1.00 0.00 C ATOM 877 C GLN A 57 18.376 -6.418 1.317 1.00 0.00 C ATOM 878 O GLN A 57 18.161 -7.557 0.901 1.00 0.00 O ATOM 879 CB GLN A 57 20.511 -5.678 2.343 1.00 0.00 C ATOM 880 CG GLN A 57 20.422 -7.028 3.056 1.00 0.00 C ATOM 881 CD GLN A 57 21.340 -7.037 4.273 1.00 0.00 C ATOM 882 OE1 GLN A 57 22.033 -6.053 4.537 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.392 -8.097 5.030 1.00 0.00 N ATOM 0 H GLN A 57 19.838 -3.647 1.140 1.00 0.00 H new ATOM 0 HA GLN A 57 20.239 -6.328 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.552 -5.433 2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.122 -4.888 2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.394 -7.219 3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.703 -7.829 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.817 -8.910 4.809 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.007 -8.113 5.843 1.00 0.00 H new ATOM 892 N LEU A 58 17.480 -5.736 2.015 1.00 0.00 N ATOM 893 CA LEU A 58 16.190 -6.324 2.318 1.00 0.00 C ATOM 894 C LEU A 58 15.311 -6.332 1.074 1.00 0.00 C ATOM 895 O LEU A 58 14.391 -7.142 0.960 1.00 0.00 O ATOM 896 CB LEU A 58 15.517 -5.583 3.467 1.00 0.00 C ATOM 897 CG LEU A 58 15.654 -4.075 3.268 1.00 0.00 C ATOM 898 CD1 LEU A 58 14.267 -3.466 3.136 1.00 0.00 C ATOM 899 CD2 LEU A 58 16.370 -3.460 4.475 1.00 0.00 C ATOM 0 H LEU A 58 17.621 -4.792 2.375 1.00 0.00 H new ATOM 0 HA LEU A 58 16.340 -7.356 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.463 -5.857 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.970 -5.876 4.414 1.00 0.00 H new ATOM 0 HG LEU A 58 16.233 -3.874 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.355 -2.389 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.757 -3.905 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.694 -3.667 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 58 16.467 -2.384 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.793 -3.655 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 58 17.361 -3.903 4.575 1.00 0.00 H new ATOM 911 N VAL A 59 15.615 -5.445 0.129 1.00 0.00 N ATOM 912 CA VAL A 59 14.853 -5.392 -1.110 1.00 0.00 C ATOM 913 C VAL A 59 14.991 -6.736 -1.818 1.00 0.00 C ATOM 914 O VAL A 59 14.003 -7.338 -2.233 1.00 0.00 O ATOM 915 CB VAL A 59 15.383 -4.269 -2.008 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.474 -4.114 -3.227 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.404 -2.957 -1.223 1.00 0.00 C ATOM 0 H VAL A 59 16.372 -4.764 0.197 1.00 0.00 H new ATOM 0 HA VAL A 59 13.804 -5.190 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 59 16.392 -4.516 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.853 -3.315 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.456 -5.048 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.464 -3.868 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.781 -2.157 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.394 -2.713 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 59 16.053 -3.064 -0.353 1.00 0.00 H new ATOM 927 N GLU A 60 16.226 -7.223 -1.915 1.00 0.00 N ATOM 928 CA GLU A 60 16.467 -8.520 -2.536 1.00 0.00 C ATOM 929 C GLU A 60 15.921 -9.628 -1.644 1.00 0.00 C ATOM 930 O GLU A 60 15.466 -10.664 -2.130 1.00 0.00 O ATOM 931 CB GLU A 60 17.964 -8.732 -2.768 1.00 0.00 C ATOM 932 CG GLU A 60 18.458 -7.747 -3.827 1.00 0.00 C ATOM 933 CD GLU A 60 19.924 -8.017 -4.147 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.538 -8.775 -3.415 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.410 -7.463 -5.118 1.00 0.00 O ATOM 0 H GLU A 60 17.062 -6.747 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 60 15.957 -8.547 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.512 -8.587 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.152 -9.756 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.857 -7.841 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.338 -6.725 -3.469 1.00 0.00 H new ATOM 942 N TYR A 61 15.959 -9.398 -0.333 1.00 0.00 N ATOM 943 CA TYR A 61 15.453 -10.380 0.619 1.00 0.00 C ATOM 944 C TYR A 61 14.010 -10.719 0.277 1.00 0.00 C ATOM 945 O TYR A 61 13.605 -11.881 0.303 1.00 0.00 O ATOM 946 CB TYR A 61 15.527 -9.823 2.043 1.00 0.00 C ATOM 947 CG TYR A 61 15.136 -10.902 3.024 1.00 0.00 C ATOM 948 CD1 TYR A 61 16.090 -11.830 3.457 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.821 -10.976 3.498 1.00 0.00 C ATOM 950 CE1 TYR A 61 15.730 -12.831 4.366 1.00 0.00 C ATOM 951 CE2 TYR A 61 13.460 -11.978 4.406 1.00 0.00 C ATOM 952 CZ TYR A 61 14.414 -12.907 4.840 1.00 0.00 C ATOM 953 OH TYR A 61 14.059 -13.894 5.735 1.00 0.00 O ATOM 0 H TYR A 61 16.332 -8.548 0.090 1.00 0.00 H new ATOM 0 HA TYR A 61 16.065 -11.280 0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.536 -9.471 2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.862 -8.965 2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 61 17.104 -11.773 3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.085 -10.260 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 61 16.467 -13.545 4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.446 -12.035 4.772 1.00 0.00 H new ATOM 0 HH TYR A 61 13.110 -13.803 5.963 1.00 0.00 H new ATOM 963 N TYR A 62 13.250 -9.687 -0.066 1.00 0.00 N ATOM 964 CA TYR A 62 11.859 -9.856 -0.443 1.00 0.00 C ATOM 965 C TYR A 62 11.780 -10.222 -1.916 1.00 0.00 C ATOM 966 O TYR A 62 10.722 -10.124 -2.538 1.00 0.00 O ATOM 967 CB TYR A 62 11.109 -8.545 -0.213 1.00 0.00 C ATOM 968 CG TYR A 62 11.058 -8.228 1.259 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.442 -9.114 2.147 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.623 -7.039 1.733 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.395 -8.813 3.513 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.576 -6.736 3.096 1.00 0.00 C ATOM 973 CZ TYR A 62 10.962 -7.623 3.988 1.00 0.00 C ATOM 974 OH TYR A 62 10.915 -7.325 5.335 1.00 0.00 O ATOM 0 H TYR A 62 13.578 -8.722 -0.090 1.00 0.00 H new ATOM 0 HA TYR A 62 11.411 -10.647 0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.603 -7.735 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.097 -8.621 -0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.003 -10.030 1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.096 -6.355 1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.922 -9.498 4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.013 -5.818 3.461 1.00 0.00 H new ATOM 0 HH TYR A 62 11.355 -6.464 5.495 1.00 0.00 H new ATOM 984 N ARG A 63 12.920 -10.610 -2.477 1.00 0.00 N ATOM 985 CA ARG A 63 12.981 -10.949 -3.886 1.00 0.00 C ATOM 986 C ARG A 63 12.561 -9.729 -4.687 1.00 0.00 C ATOM 987 O ARG A 63 12.481 -9.760 -5.914 1.00 0.00 O ATOM 988 CB ARG A 63 12.057 -12.127 -4.183 1.00 0.00 C ATOM 989 CG ARG A 63 12.424 -13.315 -3.287 1.00 0.00 C ATOM 990 CD ARG A 63 13.788 -13.879 -3.696 1.00 0.00 C ATOM 991 NE ARG A 63 14.051 -15.127 -2.990 1.00 0.00 N ATOM 992 CZ ARG A 63 13.224 -16.161 -3.093 1.00 0.00 C ATOM 993 NH1 ARG A 63 12.503 -16.316 -4.170 1.00 0.00 N ATOM 994 NH2 ARG A 63 13.131 -17.022 -2.116 1.00 0.00 N ATOM 0 H ARG A 63 13.806 -10.696 -1.979 1.00 0.00 H new ATOM 0 HA ARG A 63 13.995 -11.240 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.020 -11.839 -4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.141 -12.411 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.450 -13.000 -2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.662 -14.090 -3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 63 13.811 -14.050 -4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.571 -13.154 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 63 14.884 -15.207 -2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.575 -15.643 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.868 -17.110 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.693 -16.900 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.496 -17.816 -2.195 1.00 0.00 H new ATOM 1008 N LEU A 64 12.313 -8.652 -3.955 1.00 0.00 N ATOM 1009 CA LEU A 64 11.915 -7.387 -4.547 1.00 0.00 C ATOM 1010 C LEU A 64 13.059 -6.855 -5.410 1.00 0.00 C ATOM 1011 O LEU A 64 14.203 -6.798 -4.965 1.00 0.00 O ATOM 1012 CB LEU A 64 11.591 -6.403 -3.412 1.00 0.00 C ATOM 1013 CG LEU A 64 10.710 -5.264 -3.906 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.451 -4.465 -4.971 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.419 -5.838 -4.484 1.00 0.00 C ATOM 0 H LEU A 64 12.382 -8.632 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 64 11.035 -7.514 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.087 -6.931 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.517 -5.999 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 64 10.468 -4.602 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.817 -3.651 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.367 -4.054 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.700 -5.117 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.786 -5.025 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.656 -6.502 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.892 -6.398 -3.711 1.00 0.00 H new ATOM 1027 N VAL A 65 12.753 -6.491 -6.649 1.00 0.00 N ATOM 1028 CA VAL A 65 13.786 -5.987 -7.553 1.00 0.00 C ATOM 1029 C VAL A 65 13.255 -4.853 -8.428 1.00 0.00 C ATOM 1030 O VAL A 65 14.017 -4.219 -9.158 1.00 0.00 O ATOM 1031 CB VAL A 65 14.296 -7.118 -8.447 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.505 -6.627 -9.247 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.711 -8.308 -7.581 1.00 0.00 C ATOM 0 H VAL A 65 11.815 -6.533 -7.049 1.00 0.00 H new ATOM 0 HA VAL A 65 14.602 -5.600 -6.942 1.00 0.00 H new ATOM 0 HB VAL A 65 13.504 -7.425 -9.130 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.870 -7.432 -9.885 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.212 -5.778 -9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.295 -6.321 -8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 65 15.074 -9.113 -8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.503 -8.002 -6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.852 -8.658 -7.008 1.00 0.00 H new ATOM 1043 N VAL A 66 11.954 -4.597 -8.352 1.00 0.00 N ATOM 1044 CA VAL A 66 11.351 -3.542 -9.141 1.00 0.00 C ATOM 1045 C VAL A 66 10.850 -2.427 -8.234 1.00 0.00 C ATOM 1046 O VAL A 66 10.353 -2.684 -7.138 1.00 0.00 O ATOM 1047 CB VAL A 66 10.180 -4.108 -9.936 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.701 -5.014 -11.052 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.284 -4.915 -8.997 1.00 0.00 C ATOM 0 H VAL A 66 11.303 -5.106 -7.753 1.00 0.00 H new ATOM 0 HA VAL A 66 12.100 -3.138 -9.822 1.00 0.00 H new ATOM 0 HB VAL A 66 9.610 -3.291 -10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.860 -5.416 -11.617 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.344 -4.438 -11.718 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.272 -5.835 -10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.443 -5.324 -9.558 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.858 -5.731 -8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.910 -4.267 -8.204 1.00 0.00 H new ATOM 1059 N THR A 67 10.978 -1.193 -8.700 1.00 0.00 N ATOM 1060 CA THR A 67 10.526 -0.054 -7.917 1.00 0.00 C ATOM 1061 C THR A 67 9.781 0.940 -8.807 1.00 0.00 C ATOM 1062 O THR A 67 10.085 1.065 -9.993 1.00 0.00 O ATOM 1063 CB THR A 67 11.721 0.631 -7.253 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.755 0.810 -8.212 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.230 -0.241 -6.104 1.00 0.00 C ATOM 0 H THR A 67 11.386 -0.957 -9.605 1.00 0.00 H new ATOM 0 HA THR A 67 9.845 -0.409 -7.144 1.00 0.00 H new ATOM 0 HB THR A 67 11.418 1.603 -6.863 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.521 1.251 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.082 0.245 -5.629 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.435 -0.378 -5.371 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.536 -1.212 -6.492 1.00 0.00 H new ATOM 1073 N PRO A 68 8.815 1.640 -8.267 1.00 0.00 N ATOM 1074 CA PRO A 68 8.414 1.520 -6.838 1.00 0.00 C ATOM 1075 C PRO A 68 7.647 0.230 -6.569 1.00 0.00 C ATOM 1076 O PRO A 68 7.118 -0.392 -7.491 1.00 0.00 O ATOM 1077 CB PRO A 68 7.516 2.738 -6.581 1.00 0.00 C ATOM 1078 CG PRO A 68 7.431 3.504 -7.867 1.00 0.00 C ATOM 1079 CD PRO A 68 7.995 2.621 -8.976 1.00 0.00 C ATOM 0 HA PRO A 68 9.285 1.490 -6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.525 2.423 -6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.930 3.361 -5.788 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.397 3.774 -8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.995 4.434 -7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.200 2.139 -9.545 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.588 3.200 -9.684 1.00 0.00 H new ATOM 1087 N ALA A 69 7.592 -0.165 -5.305 1.00 0.00 N ATOM 1088 CA ALA A 69 6.887 -1.382 -4.934 1.00 0.00 C ATOM 1089 C ALA A 69 6.290 -1.242 -3.538 1.00 0.00 C ATOM 1090 O ALA A 69 6.914 -0.669 -2.644 1.00 0.00 O ATOM 1091 CB ALA A 69 7.850 -2.569 -4.956 1.00 0.00 C ATOM 0 H ALA A 69 8.023 0.334 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 69 6.084 -1.551 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.315 -3.477 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.263 -2.684 -5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.660 -2.393 -4.248 1.00 0.00 H new ATOM 1097 N LEU A 70 5.086 -1.772 -3.352 1.00 0.00 N ATOM 1098 CA LEU A 70 4.427 -1.697 -2.055 1.00 0.00 C ATOM 1099 C LEU A 70 4.316 -3.091 -1.448 1.00 0.00 C ATOM 1100 O LEU A 70 3.877 -4.030 -2.113 1.00 0.00 O ATOM 1101 CB LEU A 70 3.036 -1.079 -2.209 1.00 0.00 C ATOM 1102 CG LEU A 70 2.554 -0.565 -0.855 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.326 0.326 -1.053 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.189 -1.748 0.040 1.00 0.00 C ATOM 0 H LEU A 70 4.552 -2.253 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 70 5.020 -1.068 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.067 -0.262 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.338 -1.821 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 70 3.348 0.014 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.983 0.692 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.589 1.171 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.531 -0.250 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.845 -1.380 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.396 -2.329 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.066 -2.380 0.183 1.00 0.00 H new ATOM 1116 N VAL A 71 4.731 -3.230 -0.191 1.00 0.00 N ATOM 1117 CA VAL A 71 4.683 -4.531 0.461 1.00 0.00 C ATOM 1118 C VAL A 71 3.925 -4.484 1.786 1.00 0.00 C ATOM 1119 O VAL A 71 4.278 -3.729 2.692 1.00 0.00 O ATOM 1120 CB VAL A 71 6.109 -5.026 0.714 1.00 0.00 C ATOM 1121 CG1 VAL A 71 6.067 -6.454 1.260 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.901 -5.001 -0.599 1.00 0.00 C ATOM 0 H VAL A 71 5.097 -2.472 0.385 1.00 0.00 H new ATOM 0 HA VAL A 71 4.152 -5.213 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 71 6.594 -4.375 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.083 -6.805 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.507 -6.470 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.581 -7.107 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.916 -5.354 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.416 -5.650 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.934 -3.982 -0.985 1.00 0.00 H new ATOM 1132 N LYS A 72 2.903 -5.330 1.896 1.00 0.00 N ATOM 1133 CA LYS A 72 2.115 -5.423 3.122 1.00 0.00 C ATOM 1134 C LYS A 72 2.679 -6.535 3.997 1.00 0.00 C ATOM 1135 O LYS A 72 2.903 -7.647 3.521 1.00 0.00 O ATOM 1136 CB LYS A 72 0.650 -5.730 2.798 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.183 -5.626 4.079 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.298 -6.670 4.041 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.359 -6.333 5.089 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.675 -7.554 5.884 1.00 0.00 N ATOM 0 H LYS A 72 2.602 -5.960 1.152 1.00 0.00 H new ATOM 0 HA LYS A 72 2.166 -4.469 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.277 -5.031 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.561 -6.730 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.450 -5.784 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.608 -4.626 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.749 -6.698 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.887 -7.661 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.999 -5.541 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.260 -5.959 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.702 -7.717 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.191 -8.375 5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.352 -7.423 6.864 1.00 0.00 H new ATOM 1154 N ILE A 73 2.914 -6.241 5.270 1.00 0.00 N ATOM 1155 CA ILE A 73 3.460 -7.253 6.168 1.00 0.00 C ATOM 1156 C ILE A 73 2.380 -7.841 7.075 1.00 0.00 C ATOM 1157 O ILE A 73 2.543 -8.943 7.597 1.00 0.00 O ATOM 1158 CB ILE A 73 4.595 -6.668 7.015 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.365 -5.170 7.226 1.00 0.00 C ATOM 1160 CG2 ILE A 73 5.931 -6.892 6.303 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.071 -4.367 6.128 1.00 0.00 C ATOM 0 H ILE A 73 2.740 -5.331 5.698 1.00 0.00 H new ATOM 0 HA ILE A 73 3.857 -8.058 5.549 1.00 0.00 H new ATOM 0 HB ILE A 73 4.615 -7.165 7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.297 -4.954 7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.741 -4.871 8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.739 -6.476 6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.095 -7.961 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.912 -6.399 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.900 -3.303 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.141 -4.571 6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.674 -4.655 5.154 1.00 0.00 H new ATOM 1173 N GLY A 74 1.274 -7.121 7.258 1.00 0.00 N ATOM 1174 CA GLY A 74 0.198 -7.631 8.104 1.00 0.00 C ATOM 1175 C GLY A 74 -0.529 -6.505 8.827 1.00 0.00 C ATOM 1176 O GLY A 74 -0.407 -5.336 8.462 1.00 0.00 O ATOM 0 H GLY A 74 1.102 -6.205 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.511 -8.190 7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.608 -8.328 8.835 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.285 -6.838 9.843 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.446 -8.248 10.301 1.00 0.00 C ATOM 1182 C PRO A 75 -1.983 -9.151 9.192 1.00 0.00 C ATOM 1183 O PRO A 75 -2.537 -8.672 8.203 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.446 -8.184 11.463 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.843 -6.752 11.645 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.060 -5.893 10.651 1.00 0.00 C ATOM 0 HA PRO A 75 -0.487 -8.673 10.597 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.320 -8.799 11.249 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.997 -8.575 12.376 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.914 -6.634 11.483 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.637 -6.430 12.666 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.732 -5.303 10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.406 -5.191 11.169 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.822 -10.459 9.368 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.302 -11.418 8.379 1.00 0.00 C ATOM 1196 C GLY A 76 -1.191 -11.837 7.420 1.00 0.00 C ATOM 1197 O GLY A 76 -0.007 -11.672 7.713 1.00 0.00 O ATOM 0 H GLY A 76 -1.367 -10.877 10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.697 -12.298 8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.125 -10.979 7.815 1.00 0.00 H new ATOM 1201 N SER A 77 -1.587 -12.393 6.279 1.00 0.00 N ATOM 1202 CA SER A 77 -0.627 -12.851 5.280 1.00 0.00 C ATOM 1203 C SER A 77 0.157 -11.689 4.683 1.00 0.00 C ATOM 1204 O SER A 77 -0.257 -10.532 4.764 1.00 0.00 O ATOM 1205 CB SER A 77 -1.353 -13.596 4.161 1.00 0.00 C ATOM 1206 OG SER A 77 -0.529 -13.627 3.003 1.00 0.00 O ATOM 0 H SER A 77 -2.564 -12.537 6.023 1.00 0.00 H new ATOM 0 HA SER A 77 0.075 -13.519 5.779 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.590 -14.611 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.299 -13.103 3.935 1.00 0.00 H new ATOM 0 HG SER A 77 -0.992 -14.106 2.284 1.00 0.00 H new ATOM 1212 N ARG A 78 1.293 -12.018 4.078 1.00 0.00 N ATOM 1213 CA ARG A 78 2.147 -11.014 3.454 1.00 0.00 C ATOM 1214 C ARG A 78 1.851 -10.921 1.960 1.00 0.00 C ATOM 1215 O ARG A 78 1.534 -11.923 1.320 1.00 0.00 O ATOM 1216 CB ARG A 78 3.618 -11.384 3.662 1.00 0.00 C ATOM 1217 CG ARG A 78 4.509 -10.261 3.132 1.00 0.00 C ATOM 1218 CD ARG A 78 5.978 -10.631 3.344 1.00 0.00 C ATOM 1219 NE ARG A 78 6.349 -11.746 2.480 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.486 -11.582 1.168 1.00 0.00 C ATOM 1221 NH1 ARG A 78 6.445 -10.385 0.653 1.00 0.00 N ATOM 1222 NH2 ARG A 78 6.661 -12.618 0.395 1.00 0.00 N ATOM 0 H ARG A 78 1.644 -12.973 4.006 1.00 0.00 H new ATOM 0 HA ARG A 78 1.945 -10.047 3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.816 -11.550 4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.845 -12.317 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.314 -10.097 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.280 -9.328 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.611 -9.770 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.146 -10.899 4.387 1.00 0.00 H new ATOM 0 HE ARG A 78 6.506 -12.667 2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.308 -9.574 1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.550 -10.259 -0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.693 -13.555 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.766 -12.491 -0.612 1.00 0.00 H new ATOM 1236 N GLN A 79 1.956 -9.716 1.410 1.00 0.00 N ATOM 1237 CA GLN A 79 1.694 -9.514 -0.011 1.00 0.00 C ATOM 1238 C GLN A 79 2.689 -8.520 -0.600 1.00 0.00 C ATOM 1239 O GLN A 79 3.195 -7.645 0.103 1.00 0.00 O ATOM 1240 CB GLN A 79 0.272 -8.985 -0.206 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.725 -9.947 0.439 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.151 -9.475 0.173 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.623 -8.536 0.813 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.866 -10.071 -0.740 1.00 0.00 N ATOM 0 H GLN A 79 2.218 -8.872 1.920 1.00 0.00 H new ATOM 0 HA GLN A 79 1.802 -10.470 -0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.177 -7.995 0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.055 -8.879 -1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.585 -10.951 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.546 -10.004 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.472 -10.849 -1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.819 -9.759 -0.925 1.00 0.00 H new ATOM 1253 N VAL A 80 2.964 -8.656 -1.894 1.00 0.00 N ATOM 1254 CA VAL A 80 3.900 -7.756 -2.557 1.00 0.00 C ATOM 1255 C VAL A 80 3.269 -7.138 -3.801 1.00 0.00 C ATOM 1256 O VAL A 80 2.854 -7.850 -4.717 1.00 0.00 O ATOM 1257 CB VAL A 80 5.161 -8.521 -2.962 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.171 -7.554 -3.584 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.779 -9.177 -1.727 1.00 0.00 C ATOM 0 H VAL A 80 2.558 -9.371 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 80 4.158 -6.960 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 80 4.899 -9.289 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.069 -8.101 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.732 -7.087 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.432 -6.784 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.678 -9.722 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.039 -8.409 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.062 -9.868 -1.285 1.00 0.00 H new ATOM 1269 N LEU A 81 3.218 -5.811 -3.834 1.00 0.00 N ATOM 1270 CA LEU A 81 2.657 -5.107 -4.978 1.00 0.00 C ATOM 1271 C LEU A 81 3.735 -4.247 -5.622 1.00 0.00 C ATOM 1272 O LEU A 81 4.418 -3.488 -4.935 1.00 0.00 O ATOM 1273 CB LEU A 81 1.505 -4.213 -4.525 1.00 0.00 C ATOM 1274 CG LEU A 81 0.606 -4.973 -3.551 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.335 -3.984 -2.872 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.226 -6.011 -4.305 1.00 0.00 C ATOM 0 H LEU A 81 3.556 -5.205 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 81 2.286 -5.836 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.897 -3.315 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.926 -3.887 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 81 1.225 -5.478 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.981 -4.517 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.249 -3.240 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.946 -3.487 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.863 -6.547 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.847 -5.510 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.438 -6.717 -4.804 1.00 0.00 H new ATOM 1288 N SER A 82 3.892 -4.361 -6.934 1.00 0.00 N ATOM 1289 CA SER A 82 4.903 -3.571 -7.624 1.00 0.00 C ATOM 1290 C SER A 82 4.576 -3.398 -9.094 1.00 0.00 C ATOM 1291 O SER A 82 3.691 -4.059 -9.637 1.00 0.00 O ATOM 1292 CB SER A 82 6.273 -4.228 -7.496 1.00 0.00 C ATOM 1293 OG SER A 82 7.207 -3.504 -8.285 1.00 0.00 O ATOM 0 H SER A 82 3.344 -4.980 -7.532 1.00 0.00 H new ATOM 0 HA SER A 82 4.916 -2.588 -7.153 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.590 -4.239 -6.453 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.226 -5.266 -7.826 1.00 0.00 H new ATOM 0 HG SER A 82 7.324 -2.606 -7.911 1.00 0.00 H new ATOM 1299 N GLY A 83 5.315 -2.501 -9.729 1.00 0.00 N ATOM 1300 CA GLY A 83 5.122 -2.231 -11.149 1.00 0.00 C ATOM 1301 C GLY A 83 4.159 -1.070 -11.362 1.00 0.00 C ATOM 1302 O GLY A 83 3.208 -1.171 -12.135 1.00 0.00 O ATOM 0 H GLY A 83 6.051 -1.949 -9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.082 -2.001 -11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.736 -3.123 -11.642 1.00 0.00 H new ATOM 1306 N ILE A 84 4.425 0.029 -10.666 1.00 0.00 N ATOM 1307 CA ILE A 84 3.594 1.227 -10.765 1.00 0.00 C ATOM 1308 C ILE A 84 2.105 0.888 -10.788 1.00 0.00 C ATOM 1309 O ILE A 84 1.265 1.771 -10.963 1.00 0.00 O ATOM 1310 CB ILE A 84 3.970 2.019 -12.019 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.528 1.259 -13.273 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.484 2.206 -12.053 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.720 2.152 -14.499 1.00 0.00 C ATOM 0 H ILE A 84 5.213 0.117 -10.024 1.00 0.00 H new ATOM 0 HA ILE A 84 3.780 1.833 -9.878 1.00 0.00 H new ATOM 0 HB ILE A 84 3.472 2.988 -11.996 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.109 0.343 -13.381 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.482 0.964 -13.184 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.761 2.770 -12.944 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.803 2.751 -11.165 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.971 1.231 -12.075 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.406 1.614 -15.394 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.119 3.055 -14.389 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.771 2.425 -14.590 1.00 0.00 H new ATOM 1325 N ASP A 85 1.780 -0.384 -10.594 1.00 0.00 N ATOM 1326 CA ASP A 85 0.383 -0.806 -10.578 1.00 0.00 C ATOM 1327 C ASP A 85 -0.110 -0.860 -9.139 1.00 0.00 C ATOM 1328 O ASP A 85 -1.181 -1.391 -8.849 1.00 0.00 O ATOM 1329 CB ASP A 85 0.233 -2.185 -11.227 1.00 0.00 C ATOM 1330 CG ASP A 85 0.771 -3.265 -10.293 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.721 -2.986 -9.581 1.00 0.00 O ATOM 1332 OD2 ASP A 85 0.226 -4.356 -10.308 1.00 0.00 O ATOM 0 H ASP A 85 2.455 -1.134 -10.447 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.211 -0.089 -11.144 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.816 -2.377 -11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.772 -2.211 -12.174 1.00 0.00 H new ATOM 1337 N LEU A 86 0.699 -0.307 -8.243 1.00 0.00 N ATOM 1338 CA LEU A 86 0.382 -0.285 -6.825 1.00 0.00 C ATOM 1339 C LEU A 86 -1.035 0.214 -6.574 1.00 0.00 C ATOM 1340 O LEU A 86 -1.763 -0.351 -5.759 1.00 0.00 O ATOM 1341 CB LEU A 86 1.368 0.635 -6.109 1.00 0.00 C ATOM 1342 CG LEU A 86 2.790 0.170 -6.403 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.787 1.060 -5.658 1.00 0.00 C ATOM 1344 CD2 LEU A 86 2.947 -1.276 -5.936 1.00 0.00 C ATOM 0 H LEU A 86 1.587 0.135 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 86 0.456 -1.304 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.232 1.664 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.183 0.621 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 86 2.984 0.235 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.802 0.725 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.669 2.093 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.601 0.997 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.962 -1.617 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.755 -1.335 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.236 -1.909 -6.467 1.00 0.00 H new ATOM 1356 N THR A 87 -1.414 1.287 -7.254 1.00 0.00 N ATOM 1357 CA THR A 87 -2.741 1.854 -7.065 1.00 0.00 C ATOM 1358 C THR A 87 -3.823 0.906 -7.561 1.00 0.00 C ATOM 1359 O THR A 87 -4.868 0.763 -6.927 1.00 0.00 O ATOM 1360 CB THR A 87 -2.849 3.193 -7.797 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.872 2.963 -9.200 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.645 4.069 -7.446 1.00 0.00 C ATOM 0 H THR A 87 -0.830 1.777 -7.932 1.00 0.00 H new ATOM 0 HA THR A 87 -2.890 2.011 -5.997 1.00 0.00 H new ATOM 0 HB THR A 87 -3.766 3.699 -7.493 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.943 3.820 -9.671 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.724 5.022 -7.969 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.624 4.245 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.727 3.564 -7.748 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.572 0.251 -8.686 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.543 -0.683 -9.224 1.00 0.00 C ATOM 1372 C ASP A 88 -4.584 -1.928 -8.352 1.00 0.00 C ATOM 1373 O ASP A 88 -5.655 -2.419 -7.993 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.164 -1.056 -10.656 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.307 0.162 -11.564 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.883 1.141 -11.121 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.836 0.098 -12.688 1.00 0.00 O ATOM 0 H ASP A 88 -2.718 0.348 -9.234 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.529 -0.219 -9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.139 -1.425 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.804 -1.863 -11.012 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.403 -2.421 -7.997 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.302 -3.595 -7.144 1.00 0.00 C ATOM 1384 C GLN A 89 -3.743 -3.250 -5.725 1.00 0.00 C ATOM 1385 O GLN A 89 -4.558 -3.955 -5.130 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.858 -4.105 -7.137 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.855 -5.629 -7.274 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.421 -6.147 -7.264 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.198 -7.358 -7.236 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.570 -5.298 -7.285 1.00 0.00 N ATOM 0 H GLN A 89 -2.507 -2.027 -8.286 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.954 -4.377 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.298 -3.654 -7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.362 -3.811 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.419 -6.078 -6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.350 -5.921 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.382 -4.296 -7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.532 -5.637 -7.278 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.207 -2.154 -5.186 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.563 -1.730 -3.835 1.00 0.00 C ATOM 1401 C LEU A 90 -5.068 -1.530 -3.712 1.00 0.00 C ATOM 1402 O LEU A 90 -5.691 -2.001 -2.762 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.845 -0.426 -3.490 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.211 -0.005 -2.066 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.546 -0.950 -1.065 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.725 1.425 -1.820 1.00 0.00 C ATOM 0 H LEU A 90 -2.533 -1.552 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.255 -2.510 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.766 -0.558 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.128 0.355 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.293 -0.050 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.808 -0.649 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.892 -1.969 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.464 -0.908 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.984 1.728 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.643 1.468 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.201 2.099 -2.533 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.646 -0.826 -4.678 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.080 -0.572 -4.664 1.00 0.00 C ATOM 1420 C ALA A 91 -7.846 -1.887 -4.639 1.00 0.00 C ATOM 1421 O ALA A 91 -8.878 -2.006 -3.981 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.484 0.232 -5.902 1.00 0.00 C ATOM 0 H ALA A 91 -5.149 -0.425 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.323 0.001 -3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.558 0.416 -5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.953 1.184 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.229 -0.331 -6.800 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.327 -2.873 -5.362 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.956 -4.181 -5.421 1.00 0.00 C ATOM 1430 C ASN A 92 -7.589 -5.013 -4.200 1.00 0.00 C ATOM 1431 O ASN A 92 -8.409 -5.769 -3.681 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.493 -4.909 -6.680 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.093 -4.250 -7.917 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -9.045 -3.476 -7.810 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -7.590 -4.511 -9.093 1.00 0.00 N ATOM 0 H ASN A 92 -6.473 -2.789 -5.914 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.037 -4.045 -5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.405 -4.891 -6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.792 -5.956 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.985 -4.074 -9.925 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.802 -5.152 -9.180 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.345 -4.880 -3.759 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.858 -5.635 -2.614 1.00 0.00 C ATOM 1444 C GLN A 93 -6.343 -5.043 -1.299 1.00 0.00 C ATOM 1445 O GLN A 93 -6.596 -5.770 -0.338 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.332 -5.651 -2.629 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.847 -6.477 -3.818 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.282 -7.925 -3.645 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -4.062 -8.518 -2.589 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.890 -8.532 -4.623 1.00 0.00 N ATOM 0 H GLN A 93 -5.655 -4.256 -4.178 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.250 -6.649 -2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.947 -4.634 -2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.952 -6.074 -1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.254 -6.073 -4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.761 -6.420 -3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.071 -8.037 -5.497 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.186 -9.502 -4.516 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.458 -3.725 -1.252 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.898 -3.065 -0.035 1.00 0.00 C ATOM 1461 C LEU A 94 -8.205 -3.681 0.472 1.00 0.00 C ATOM 1462 O LEU A 94 -8.246 -4.227 1.574 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.050 -1.566 -0.294 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.957 -0.944 0.770 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.393 -1.242 2.160 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.012 0.571 0.561 1.00 0.00 C ATOM 0 H LEU A 94 -6.256 -3.099 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.149 -3.208 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.072 -1.084 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.471 -1.400 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.959 -1.365 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.039 -0.799 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.345 -2.321 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.392 -0.819 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.657 1.019 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.008 0.987 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.410 0.787 -0.430 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.259 -3.634 -0.306 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.565 -4.231 0.088 1.00 0.00 C ATOM 1480 C PRO A 95 -10.404 -5.675 0.564 1.00 0.00 C ATOM 1481 O PRO A 95 -11.043 -6.100 1.526 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.409 -4.206 -1.194 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.554 -3.627 -2.279 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.330 -2.997 -1.622 1.00 0.00 C ATOM 0 HA PRO A 95 -11.017 -3.680 0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.736 -5.212 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.307 -3.606 -1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.253 -4.403 -2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.110 -2.880 -2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.427 -3.182 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.437 -1.916 -1.536 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.550 -6.424 -0.131 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.311 -7.825 0.208 1.00 0.00 C ATOM 1494 C GLN A 96 -8.735 -7.962 1.610 1.00 0.00 C ATOM 1495 O GLN A 96 -9.054 -8.906 2.332 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.340 -8.442 -0.797 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.978 -8.440 -2.184 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.039 -9.094 -3.191 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -7.427 -10.120 -2.895 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -7.884 -8.556 -4.370 1.00 0.00 N ATOM 0 H GLN A 96 -9.014 -6.085 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.267 -8.348 0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.408 -7.878 -0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.091 -9.461 -0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.927 -8.976 -2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.198 -7.417 -2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.392 -7.706 -4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.255 -8.986 -5.048 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.883 -7.021 1.987 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.269 -7.059 3.308 1.00 0.00 C ATOM 1511 C TRP A 97 -8.341 -6.925 4.381 1.00 0.00 C ATOM 1512 O TRP A 97 -8.317 -7.633 5.387 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.254 -5.925 3.445 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.257 -6.007 2.330 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.095 -7.068 1.504 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.291 -5.004 1.905 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.086 -6.779 0.601 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.560 -5.519 0.807 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.979 -3.712 2.361 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.556 -4.775 0.184 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.970 -2.961 1.737 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.260 -3.492 0.651 1.00 0.00 C ATOM 0 H TRP A 97 -7.603 -6.231 1.406 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.756 -8.012 3.433 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.764 -4.962 3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.746 -5.992 4.407 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.660 -7.988 1.543 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.770 -7.419 -0.128 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.519 -3.294 3.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.012 -5.188 -0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.740 -1.969 2.096 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.485 -2.910 0.176 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.291 -6.028 4.148 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.379 -5.828 5.089 1.00 0.00 C ATOM 1535 C LEU A 98 -11.288 -7.052 5.091 1.00 0.00 C ATOM 1536 O LEU A 98 -11.797 -7.464 6.134 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.180 -4.591 4.687 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.244 -3.385 4.609 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.061 -2.122 4.332 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.501 -3.232 5.937 1.00 0.00 C ATOM 0 H LEU A 98 -9.328 -5.433 3.321 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.971 -5.684 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.663 -4.754 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.972 -4.405 5.413 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.524 -3.534 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.394 -1.262 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.591 -2.232 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.781 -1.971 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.833 -2.372 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.221 -3.082 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.919 -4.132 6.134 1.00 0.00 H new