USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.673 USER MOD Set 2.2: A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 43:sc= 1.23 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -143:sc= -1.09 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.37 K(o=-1.4,f=-10!) USER MOD Single : A 49 GLN : amide:sc= -0.0256 K(o=-0.026,f=-0.6) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0.184 (180deg=0.165) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.073 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.281) USER MOD Single : A 88 SER OG : rot 180:sc= -0.552 USER MOD Single : A 89 TYR OH : rot -154:sc= -1.66 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -7.05! C(o=-7!,f=-21!) USER MOD Single : A 98 MET CE :methyl 135:sc= -5.82! (180deg=-9.81!) USER MOD Single : A 102 SER OG : rot -170:sc= 0.695 USER MOD Single : A 105 SER OG : rot 100:sc= 0.943 USER MOD Single : A 108 SER OG : rot 80:sc= -0.902 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.232 -13.653 -2.479 1.00 0.00 N ATOM 170 CA LEU A 15 -18.877 -13.412 -1.997 1.00 0.00 C ATOM 171 C LEU A 15 -18.714 -11.971 -1.524 1.00 0.00 C ATOM 172 O LEU A 15 -19.677 -11.204 -1.496 1.00 0.00 O ATOM 173 CB LEU A 15 -17.860 -13.716 -3.099 1.00 0.00 C ATOM 174 CG LEU A 15 -17.498 -15.190 -3.290 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.134 -15.467 -4.740 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.354 -15.581 -2.367 1.00 0.00 C ATOM 0 HA LEU A 15 -18.697 -14.075 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.251 -13.333 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.946 -13.163 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.368 -15.794 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.879 -16.520 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.982 -15.226 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.279 -14.854 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.109 -16.633 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.480 -14.970 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.652 -15.421 -1.331 1.00 0.00 H new ATOM 188 N SER A 16 -17.490 -11.608 -1.156 1.00 0.00 N ATOM 189 CA SER A 16 -17.201 -10.259 -0.683 1.00 0.00 C ATOM 190 C SER A 16 -15.833 -9.793 -1.170 1.00 0.00 C ATOM 191 O SER A 16 -14.983 -10.590 -1.570 1.00 0.00 O ATOM 192 CB SER A 16 -17.253 -10.210 0.845 1.00 0.00 C ATOM 193 OG SER A 16 -18.558 -9.894 1.301 1.00 0.00 O ATOM 0 H SER A 16 -16.682 -12.230 -1.176 1.00 0.00 H new ATOM 0 HA SER A 16 -17.959 -9.589 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.945 -11.172 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.546 -9.466 1.212 1.00 0.00 H new ATOM 0 HG SER A 16 -18.565 -9.870 2.281 1.00 0.00 H new ATOM 199 N PRO A 17 -15.614 -8.471 -1.140 1.00 0.00 N ATOM 200 CA PRO A 17 -14.350 -7.868 -1.575 1.00 0.00 C ATOM 201 C PRO A 17 -13.200 -8.179 -0.623 1.00 0.00 C ATOM 202 O PRO A 17 -13.397 -8.686 0.482 1.00 0.00 O ATOM 203 CB PRO A 17 -14.655 -6.367 -1.572 1.00 0.00 C ATOM 204 CG PRO A 17 -15.760 -6.206 -0.587 1.00 0.00 C ATOM 205 CD PRO A 17 -16.581 -7.463 -0.677 1.00 0.00 C ATOM 0 HA PRO A 17 -14.028 -8.251 -2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.779 -5.786 -1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.954 -6.022 -2.562 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.368 -6.067 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.364 -5.328 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -17.011 -7.732 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.411 -7.352 -1.375 1.00 0.00 H new ATOM 213 N PRO A 18 -11.970 -7.871 -1.059 1.00 0.00 N ATOM 214 CA PRO A 18 -10.764 -8.109 -0.260 1.00 0.00 C ATOM 215 C PRO A 18 -10.676 -7.181 0.947 1.00 0.00 C ATOM 216 O PRO A 18 -11.310 -6.127 0.978 1.00 0.00 O ATOM 217 CB PRO A 18 -9.626 -7.820 -1.242 1.00 0.00 C ATOM 218 CG PRO A 18 -10.213 -6.881 -2.238 1.00 0.00 C ATOM 219 CD PRO A 18 -11.661 -7.266 -2.366 1.00 0.00 C ATOM 0 HA PRO A 18 -10.742 -9.117 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.770 -7.375 -0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.274 -8.734 -1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.112 -5.847 -1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.702 -6.960 -3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.291 -6.399 -2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.819 -7.971 -3.182 1.00 0.00 H new ATOM 227 N GLU A 19 -9.886 -7.580 1.938 1.00 0.00 N ATOM 228 CA GLU A 19 -9.716 -6.783 3.147 1.00 0.00 C ATOM 229 C GLU A 19 -8.373 -6.056 3.136 1.00 0.00 C ATOM 230 O GLU A 19 -7.455 -6.439 2.410 1.00 0.00 O ATOM 231 CB GLU A 19 -9.816 -7.671 4.389 1.00 0.00 C ATOM 232 CG GLU A 19 -8.505 -8.338 4.769 1.00 0.00 C ATOM 233 CD GLU A 19 -8.603 -9.125 6.061 1.00 0.00 C ATOM 234 OE1 GLU A 19 -9.155 -10.244 6.032 1.00 0.00 O ATOM 235 OE2 GLU A 19 -8.130 -8.620 7.101 1.00 0.00 O ATOM 0 H GLU A 19 -9.354 -8.450 1.928 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.513 -6.040 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.164 -7.069 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.568 -8.441 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.195 -9.005 3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.731 -7.577 4.869 1.00 0.00 H new ATOM 242 N ALA A 20 -8.268 -5.007 3.944 1.00 0.00 N ATOM 243 CA ALA A 20 -7.039 -4.228 4.029 1.00 0.00 C ATOM 244 C ALA A 20 -5.849 -5.116 4.378 1.00 0.00 C ATOM 245 O ALA A 20 -5.833 -5.799 5.403 1.00 0.00 O ATOM 246 CB ALA A 20 -7.189 -3.116 5.055 1.00 0.00 C ATOM 0 H ALA A 20 -9.019 -4.677 4.549 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.852 -3.783 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.264 -2.542 5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.007 -2.458 4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.404 -3.549 6.032 1.00 0.00 H new ATOM 252 N PRO A 21 -4.829 -5.110 3.507 1.00 0.00 N ATOM 253 CA PRO A 21 -3.617 -5.910 3.703 1.00 0.00 C ATOM 254 C PRO A 21 -2.763 -5.396 4.856 1.00 0.00 C ATOM 255 O PRO A 21 -2.940 -4.267 5.317 1.00 0.00 O ATOM 256 CB PRO A 21 -2.871 -5.753 2.375 1.00 0.00 C ATOM 257 CG PRO A 21 -3.351 -4.457 1.821 1.00 0.00 C ATOM 258 CD PRO A 21 -4.782 -4.321 2.265 1.00 0.00 C ATOM 0 HA PRO A 21 -3.848 -6.944 3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.792 -5.743 2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.090 -6.578 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.748 -3.628 2.190 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.277 -4.446 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.051 -3.279 2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.474 -4.708 1.517 1.00 0.00 H new ATOM 266 N ASP A 22 -1.837 -6.228 5.318 1.00 0.00 N ATOM 267 CA ASP A 22 -0.953 -5.857 6.418 1.00 0.00 C ATOM 268 C ASP A 22 -0.284 -4.513 6.147 1.00 0.00 C ATOM 269 O ASP A 22 -0.471 -3.918 5.085 1.00 0.00 O ATOM 270 CB ASP A 22 0.109 -6.936 6.634 1.00 0.00 C ATOM 271 CG ASP A 22 0.743 -6.856 8.009 1.00 0.00 C ATOM 272 OD1 ASP A 22 0.048 -6.442 8.958 1.00 0.00 O ATOM 273 OD2 ASP A 22 1.935 -7.209 8.133 1.00 0.00 O ATOM 0 H ASP A 22 -1.678 -7.165 4.948 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.556 -5.767 7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.343 -7.919 6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.884 -6.837 5.873 1.00 0.00 H new ATOM 278 N ARG A 23 0.495 -4.040 7.114 1.00 0.00 N ATOM 279 CA ARG A 23 1.190 -2.765 6.981 1.00 0.00 C ATOM 280 C ARG A 23 2.454 -2.920 6.142 1.00 0.00 C ATOM 281 O ARG A 23 3.332 -3.730 6.440 1.00 0.00 O ATOM 282 CB ARG A 23 1.545 -2.208 8.360 1.00 0.00 C ATOM 283 CG ARG A 23 2.343 -0.915 8.308 1.00 0.00 C ATOM 284 CD ARG A 23 2.598 -0.360 9.700 1.00 0.00 C ATOM 285 NE ARG A 23 1.500 0.486 10.163 1.00 0.00 N ATOM 286 CZ ARG A 23 1.245 0.723 11.445 1.00 0.00 C ATOM 287 NH1 ARG A 23 2.005 0.182 12.387 1.00 0.00 N ATOM 288 NH2 ARG A 23 0.229 1.504 11.786 1.00 0.00 N ATOM 0 H ARG A 23 0.661 -4.520 7.998 1.00 0.00 H new ATOM 0 HA ARG A 23 0.523 -2.067 6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.626 -2.036 8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.117 -2.956 8.908 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.294 -1.094 7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.803 -0.177 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.739 -1.185 10.399 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.523 0.217 9.696 1.00 0.00 H new ATOM 0 HE ARG A 23 0.896 0.918 9.464 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.788 -0.418 12.128 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.807 0.366 13.370 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.357 1.923 11.064 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.033 1.686 12.770 1.00 0.00 H new ATOM 302 N PRO A 24 2.551 -2.126 5.066 1.00 0.00 N ATOM 303 CA PRO A 24 3.704 -2.156 4.160 1.00 0.00 C ATOM 304 C PRO A 24 4.965 -1.596 4.810 1.00 0.00 C ATOM 305 O PRO A 24 4.907 -0.636 5.578 1.00 0.00 O ATOM 306 CB PRO A 24 3.264 -1.269 2.994 1.00 0.00 C ATOM 307 CG PRO A 24 2.249 -0.348 3.580 1.00 0.00 C ATOM 308 CD PRO A 24 1.544 -1.137 4.648 1.00 0.00 C ATOM 0 HA PRO A 24 3.963 -3.172 3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.106 -0.716 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.840 -1.862 2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.723 0.540 3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.547 -0.006 2.820 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.236 -0.502 5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.644 -1.618 4.264 1.00 0.00 H new ATOM 316 N THR A 25 6.107 -2.201 4.495 1.00 0.00 N ATOM 317 CA THR A 25 7.382 -1.763 5.048 1.00 0.00 C ATOM 318 C THR A 25 8.095 -0.811 4.096 1.00 0.00 C ATOM 319 O THR A 25 7.721 -0.688 2.930 1.00 0.00 O ATOM 320 CB THR A 25 8.305 -2.959 5.347 1.00 0.00 C ATOM 321 OG1 THR A 25 9.311 -2.578 6.293 1.00 0.00 O ATOM 322 CG2 THR A 25 8.966 -3.464 4.074 1.00 0.00 C ATOM 0 H THR A 25 6.174 -2.996 3.859 1.00 0.00 H new ATOM 0 HA THR A 25 7.161 -1.243 5.980 1.00 0.00 H new ATOM 0 HB THR A 25 7.698 -3.761 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.892 -3.345 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.613 -4.309 4.310 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.199 -3.781 3.367 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.560 -2.665 3.631 1.00 0.00 H new ATOM 330 N ILE A 26 9.125 -0.139 4.601 1.00 0.00 N ATOM 331 CA ILE A 26 9.892 0.802 3.794 1.00 0.00 C ATOM 332 C ILE A 26 11.374 0.444 3.792 1.00 0.00 C ATOM 333 O ILE A 26 12.024 0.443 4.837 1.00 0.00 O ATOM 334 CB ILE A 26 9.725 2.246 4.301 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.282 2.488 4.753 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.119 3.238 3.217 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.251 2.075 3.727 1.00 0.00 C ATOM 0 H ILE A 26 9.447 -0.229 5.565 1.00 0.00 H new ATOM 0 HA ILE A 26 9.503 0.736 2.778 1.00 0.00 H new ATOM 0 HB ILE A 26 10.384 2.393 5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.103 1.940 5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.153 3.546 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.995 4.254 3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.161 3.078 2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.484 3.093 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.252 2.275 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.404 2.642 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.353 1.010 3.517 1.00 0.00 H new ATOM 349 N SER A 27 11.903 0.141 2.610 1.00 0.00 N ATOM 350 CA SER A 27 13.309 -0.220 2.473 1.00 0.00 C ATOM 351 C SER A 27 14.043 0.781 1.587 1.00 0.00 C ATOM 352 O SER A 27 13.423 1.614 0.924 1.00 0.00 O ATOM 353 CB SER A 27 13.440 -1.629 1.888 1.00 0.00 C ATOM 354 OG SER A 27 13.475 -2.605 2.915 1.00 0.00 O ATOM 0 H SER A 27 11.379 0.138 1.735 1.00 0.00 H new ATOM 0 HA SER A 27 13.762 -0.202 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.602 -1.829 1.220 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.348 -1.695 1.288 1.00 0.00 H new ATOM 0 HG SER A 27 13.557 -3.496 2.516 1.00 0.00 H new ATOM 360 N THR A 28 15.370 0.693 1.578 1.00 0.00 N ATOM 361 CA THR A 28 16.190 1.592 0.775 1.00 0.00 C ATOM 362 C THR A 28 16.380 1.048 -0.636 1.00 0.00 C ATOM 363 O THR A 28 17.186 0.146 -0.861 1.00 0.00 O ATOM 364 CB THR A 28 17.572 1.814 1.417 1.00 0.00 C ATOM 365 OG1 THR A 28 17.423 2.133 2.805 1.00 0.00 O ATOM 366 CG2 THR A 28 18.322 2.935 0.712 1.00 0.00 C ATOM 0 H THR A 28 15.899 0.008 2.118 1.00 0.00 H new ATOM 0 HA THR A 28 15.662 2.544 0.727 1.00 0.00 H new ATOM 0 HB THR A 28 18.147 0.893 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.307 2.271 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.295 3.074 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.460 2.676 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.748 3.859 0.786 1.00 0.00 H new ATOM 374 N ALA A 29 15.631 1.604 -1.584 1.00 0.00 N ATOM 375 CA ALA A 29 15.719 1.176 -2.976 1.00 0.00 C ATOM 376 C ALA A 29 16.479 2.197 -3.816 1.00 0.00 C ATOM 377 O ALA A 29 17.218 1.834 -4.731 1.00 0.00 O ATOM 378 CB ALA A 29 14.328 0.951 -3.546 1.00 0.00 C ATOM 0 H ALA A 29 14.957 2.351 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 29 16.269 0.236 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.408 0.632 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.818 0.180 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.759 1.879 -3.494 1.00 0.00 H new ATOM 384 N SER A 30 16.293 3.474 -3.499 1.00 0.00 N ATOM 385 CA SER A 30 16.957 4.547 -4.229 1.00 0.00 C ATOM 386 C SER A 30 16.708 5.895 -3.560 1.00 0.00 C ATOM 387 O SER A 30 15.931 5.994 -2.611 1.00 0.00 O ATOM 388 CB SER A 30 16.468 4.587 -5.678 1.00 0.00 C ATOM 389 OG SER A 30 17.232 3.720 -6.498 1.00 0.00 O ATOM 0 H SER A 30 15.688 3.791 -2.741 1.00 0.00 H new ATOM 0 HA SER A 30 18.029 4.348 -4.220 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.417 4.299 -5.719 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.534 5.606 -6.060 1.00 0.00 H new ATOM 0 HG SER A 30 17.381 2.873 -6.029 1.00 0.00 H new ATOM 395 N GLU A 31 17.376 6.930 -4.061 1.00 0.00 N ATOM 396 CA GLU A 31 17.226 8.272 -3.510 1.00 0.00 C ATOM 397 C GLU A 31 15.935 8.922 -3.998 1.00 0.00 C ATOM 398 O GLU A 31 15.481 9.924 -3.445 1.00 0.00 O ATOM 399 CB GLU A 31 18.425 9.142 -3.897 1.00 0.00 C ATOM 400 CG GLU A 31 18.485 9.470 -5.380 1.00 0.00 C ATOM 401 CD GLU A 31 19.541 10.509 -5.705 1.00 0.00 C ATOM 402 OE1 GLU A 31 19.582 11.548 -5.014 1.00 0.00 O ATOM 403 OE2 GLU A 31 20.325 10.283 -6.650 1.00 0.00 O ATOM 0 H GLU A 31 18.025 6.865 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 31 17.181 8.187 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.387 10.072 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.343 8.630 -3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.692 8.559 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.511 9.833 -5.708 1.00 0.00 H new ATOM 410 N THR A 32 15.346 8.342 -5.041 1.00 0.00 N ATOM 411 CA THR A 32 14.108 8.863 -5.606 1.00 0.00 C ATOM 412 C THR A 32 12.962 7.875 -5.425 1.00 0.00 C ATOM 413 O THR A 32 11.808 8.187 -5.720 1.00 0.00 O ATOM 414 CB THR A 32 14.264 9.180 -7.105 1.00 0.00 C ATOM 415 OG1 THR A 32 14.905 8.087 -7.772 1.00 0.00 O ATOM 416 CG2 THR A 32 15.077 10.451 -7.308 1.00 0.00 C ATOM 0 H THR A 32 15.707 7.512 -5.510 1.00 0.00 H new ATOM 0 HA THR A 32 13.879 9.783 -5.069 1.00 0.00 H new ATOM 0 HB THR A 32 13.271 9.331 -7.527 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.999 8.295 -8.725 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.174 10.655 -8.374 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.573 11.287 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 32 16.068 10.323 -6.872 1.00 0.00 H new ATOM 424 N SER A 33 13.287 6.683 -4.936 1.00 0.00 N ATOM 425 CA SER A 33 12.284 5.647 -4.718 1.00 0.00 C ATOM 426 C SER A 33 12.618 4.820 -3.480 1.00 0.00 C ATOM 427 O SER A 33 13.694 4.957 -2.900 1.00 0.00 O ATOM 428 CB SER A 33 12.186 4.735 -5.943 1.00 0.00 C ATOM 429 OG SER A 33 13.247 3.797 -5.966 1.00 0.00 O ATOM 0 H SER A 33 14.237 6.410 -4.683 1.00 0.00 H new ATOM 0 HA SER A 33 11.322 6.135 -4.560 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.231 4.209 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.209 5.337 -6.851 1.00 0.00 H new ATOM 0 HG SER A 33 13.538 3.655 -6.891 1.00 0.00 H new ATOM 435 N VAL A 34 11.685 3.960 -3.082 1.00 0.00 N ATOM 436 CA VAL A 34 11.879 3.108 -1.914 1.00 0.00 C ATOM 437 C VAL A 34 11.208 1.753 -2.104 1.00 0.00 C ATOM 438 O VAL A 34 10.171 1.649 -2.759 1.00 0.00 O ATOM 439 CB VAL A 34 11.323 3.770 -0.639 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.105 5.032 -0.307 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.842 4.079 -0.801 1.00 0.00 C ATOM 0 H VAL A 34 10.788 3.835 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 34 12.954 2.965 -1.802 1.00 0.00 H new ATOM 0 HB VAL A 34 11.437 3.072 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.698 5.485 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.153 4.779 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.026 5.737 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.466 4.546 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.702 4.758 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.296 3.154 -0.986 1.00 0.00 H new ATOM 451 N TYR A 35 11.806 0.717 -1.526 1.00 0.00 N ATOM 452 CA TYR A 35 11.267 -0.634 -1.634 1.00 0.00 C ATOM 453 C TYR A 35 10.170 -0.866 -0.601 1.00 0.00 C ATOM 454 O TYR A 35 10.422 -0.852 0.604 1.00 0.00 O ATOM 455 CB TYR A 35 12.382 -1.666 -1.452 1.00 0.00 C ATOM 456 CG TYR A 35 13.229 -1.867 -2.689 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.642 -2.091 -3.927 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.616 -1.831 -2.617 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.413 -2.277 -5.059 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.395 -2.014 -3.744 1.00 0.00 C ATOM 461 CZ TYR A 35 14.788 -2.237 -4.963 1.00 0.00 C ATOM 462 OH TYR A 35 15.558 -2.420 -6.088 1.00 0.00 O ATOM 0 H TYR A 35 12.664 0.787 -0.978 1.00 0.00 H new ATOM 0 HA TYR A 35 10.835 -0.748 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.024 -1.353 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.939 -2.620 -1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.565 -2.120 -4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.094 -1.657 -1.664 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.941 -2.453 -6.014 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.472 -1.983 -3.671 1.00 0.00 H new ATOM 0 HH TYR A 35 16.506 -2.361 -5.848 1.00 0.00 H new ATOM 472 N VAL A 36 8.950 -1.081 -1.081 1.00 0.00 N ATOM 473 CA VAL A 36 7.812 -1.318 -0.201 1.00 0.00 C ATOM 474 C VAL A 36 7.364 -2.775 -0.263 1.00 0.00 C ATOM 475 O VAL A 36 7.168 -3.330 -1.344 1.00 0.00 O ATOM 476 CB VAL A 36 6.621 -0.411 -0.564 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.404 -0.764 0.276 1.00 0.00 C ATOM 478 CG2 VAL A 36 6.995 1.053 -0.386 1.00 0.00 C ATOM 0 H VAL A 36 8.724 -1.096 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 36 8.141 -1.084 0.811 1.00 0.00 H new ATOM 0 HB VAL A 36 6.368 -0.574 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.573 -0.112 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.125 -1.802 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.640 -0.631 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.143 1.681 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.275 1.233 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.836 1.295 -1.036 1.00 0.00 H new ATOM 488 N THR A 37 7.202 -3.388 0.904 1.00 0.00 N ATOM 489 CA THR A 37 6.778 -4.781 0.984 1.00 0.00 C ATOM 490 C THR A 37 5.585 -4.939 1.920 1.00 0.00 C ATOM 491 O THR A 37 5.665 -4.609 3.103 1.00 0.00 O ATOM 492 CB THR A 37 7.922 -5.690 1.470 1.00 0.00 C ATOM 493 OG1 THR A 37 9.077 -5.508 0.644 1.00 0.00 O ATOM 494 CG2 THR A 37 7.499 -7.151 1.445 1.00 0.00 C ATOM 0 H THR A 37 7.358 -2.942 1.808 1.00 0.00 H new ATOM 0 HA THR A 37 6.489 -5.082 -0.023 1.00 0.00 H new ATOM 0 HB THR A 37 8.164 -5.416 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.800 -6.088 0.961 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.323 -7.774 1.792 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.637 -7.292 2.098 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.233 -7.435 0.427 1.00 0.00 H new ATOM 502 N TRP A 38 4.481 -5.446 1.383 1.00 0.00 N ATOM 503 CA TRP A 38 3.272 -5.649 2.172 1.00 0.00 C ATOM 504 C TRP A 38 2.894 -7.126 2.221 1.00 0.00 C ATOM 505 O TRP A 38 3.473 -7.947 1.509 1.00 0.00 O ATOM 506 CB TRP A 38 2.115 -4.835 1.590 1.00 0.00 C ATOM 507 CG TRP A 38 1.694 -5.292 0.226 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.621 -6.081 -0.079 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.339 -4.992 -1.017 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.560 -6.287 -1.436 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.602 -5.629 -2.033 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.465 -4.244 -1.368 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.958 -5.541 -3.377 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.817 -4.157 -2.702 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.065 -4.803 -3.693 1.00 0.00 C ATOM 0 H TRP A 38 4.398 -5.724 0.405 1.00 0.00 H new ATOM 0 HA TRP A 38 3.472 -5.310 3.188 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.262 -4.896 2.265 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.407 -3.786 1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.076 -6.483 0.641 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.147 -6.840 -1.920 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.050 -3.743 -0.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.380 -6.038 -4.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.686 -3.582 -2.985 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.366 -4.716 -4.727 1.00 0.00 H new ATOM 526 N ILE A 39 1.923 -7.457 3.066 1.00 0.00 N ATOM 527 CA ILE A 39 1.470 -8.835 3.206 1.00 0.00 C ATOM 528 C ILE A 39 -0.052 -8.916 3.200 1.00 0.00 C ATOM 529 O ILE A 39 -0.722 -8.550 4.166 1.00 0.00 O ATOM 530 CB ILE A 39 2.002 -9.473 4.503 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.517 -9.286 4.606 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.641 -10.950 4.553 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.303 -10.215 3.707 1.00 0.00 C ATOM 0 H ILE A 39 1.435 -6.790 3.664 1.00 0.00 H new ATOM 0 HA ILE A 39 1.864 -9.386 2.352 1.00 0.00 H new ATOM 0 HB ILE A 39 1.535 -8.975 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.766 -8.255 4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.825 -9.446 5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.024 -11.387 5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.557 -11.061 4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.083 -11.462 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.369 -10.027 3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.084 -11.249 3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.023 -10.039 2.668 1.00 0.00 H new ATOM 545 N PRO A 40 -0.615 -9.409 2.086 1.00 0.00 N ATOM 546 CA PRO A 40 -2.064 -9.552 1.927 1.00 0.00 C ATOM 547 C PRO A 40 -2.639 -10.647 2.819 1.00 0.00 C ATOM 548 O PRO A 40 -2.066 -11.730 2.937 1.00 0.00 O ATOM 549 CB PRO A 40 -2.225 -9.925 0.452 1.00 0.00 C ATOM 550 CG PRO A 40 -0.930 -10.561 0.079 1.00 0.00 C ATOM 551 CD PRO A 40 0.123 -9.864 0.896 1.00 0.00 C ATOM 0 HA PRO A 40 -2.596 -8.644 2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.060 -10.611 0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.425 -9.045 -0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.945 -11.630 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.734 -10.450 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.937 -10.538 1.162 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.565 -9.028 0.353 1.00 0.00 H new ATOM 559 N ARG A 41 -3.775 -10.358 3.446 1.00 0.00 N ATOM 560 CA ARG A 41 -4.428 -11.318 4.328 1.00 0.00 C ATOM 561 C ARG A 41 -5.652 -11.931 3.655 1.00 0.00 C ATOM 562 O ARG A 41 -5.655 -13.109 3.301 1.00 0.00 O ATOM 563 CB ARG A 41 -4.837 -10.643 5.639 1.00 0.00 C ATOM 564 CG ARG A 41 -3.881 -9.548 6.084 1.00 0.00 C ATOM 565 CD ARG A 41 -2.475 -10.089 6.296 1.00 0.00 C ATOM 566 NE ARG A 41 -2.254 -10.513 7.675 1.00 0.00 N ATOM 567 CZ ARG A 41 -2.560 -11.723 8.131 1.00 0.00 C ATOM 568 NH1 ARG A 41 -3.097 -12.623 7.320 1.00 0.00 N ATOM 569 NH2 ARG A 41 -2.328 -12.034 9.400 1.00 0.00 N ATOM 0 H ARG A 41 -4.262 -9.466 3.359 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.717 -12.115 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.834 -10.218 5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.901 -11.398 6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.858 -8.756 5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.244 -9.101 7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.306 -10.932 5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.748 -9.321 6.032 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.842 -9.843 8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.276 -12.387 6.344 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.331 -13.551 7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.914 -11.344 10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.563 -12.963 9.749 1.00 0.00 H new ATOM 583 N GLY A 42 -6.693 -11.121 3.481 1.00 0.00 N ATOM 584 CA GLY A 42 -7.909 -11.600 2.852 1.00 0.00 C ATOM 585 C GLY A 42 -8.102 -11.037 1.458 1.00 0.00 C ATOM 586 O GLY A 42 -7.745 -9.891 1.190 1.00 0.00 O ATOM 0 H GLY A 42 -6.715 -10.142 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.883 -12.688 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.765 -11.331 3.471 1.00 0.00 H new ATOM 590 N ASN A 43 -8.668 -11.844 0.567 1.00 0.00 N ATOM 591 CA ASN A 43 -8.906 -11.420 -0.807 1.00 0.00 C ATOM 592 C ASN A 43 -10.401 -11.322 -1.095 1.00 0.00 C ATOM 593 O ASN A 43 -10.810 -11.062 -2.226 1.00 0.00 O ATOM 594 CB ASN A 43 -8.249 -12.397 -1.786 1.00 0.00 C ATOM 595 CG ASN A 43 -8.756 -13.816 -1.612 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.571 -14.093 -0.734 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.272 -14.722 -2.455 1.00 0.00 N ATOM 0 H ASN A 43 -8.971 -12.796 0.772 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.463 -10.433 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.441 -12.068 -2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.169 -12.380 -1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.575 -15.694 -2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.597 -14.446 -3.168 1.00 0.00 H new ATOM 604 N GLY A 44 -11.212 -11.531 -0.063 1.00 0.00 N ATOM 605 CA GLY A 44 -12.653 -11.461 -0.226 1.00 0.00 C ATOM 606 C GLY A 44 -13.239 -12.753 -0.759 1.00 0.00 C ATOM 607 O GLY A 44 -14.444 -12.849 -0.987 1.00 0.00 O ATOM 0 H GLY A 44 -10.898 -11.747 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.113 -11.226 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.900 -10.646 -0.906 1.00 0.00 H new ATOM 611 N GLY A 45 -12.384 -13.752 -0.959 1.00 0.00 N ATOM 612 CA GLY A 45 -12.843 -15.031 -1.468 1.00 0.00 C ATOM 613 C GLY A 45 -12.346 -15.307 -2.874 1.00 0.00 C ATOM 614 O GLY A 45 -12.206 -16.463 -3.275 1.00 0.00 O ATOM 0 H GLY A 45 -11.382 -13.698 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.504 -15.826 -0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.933 -15.052 -1.460 1.00 0.00 H new ATOM 618 N PHE A 46 -12.079 -14.244 -3.626 1.00 0.00 N ATOM 619 CA PHE A 46 -11.597 -14.377 -4.995 1.00 0.00 C ATOM 620 C PHE A 46 -10.118 -14.019 -5.088 1.00 0.00 C ATOM 621 O PHE A 46 -9.555 -13.367 -4.209 1.00 0.00 O ATOM 622 CB PHE A 46 -12.411 -13.483 -5.934 1.00 0.00 C ATOM 623 CG PHE A 46 -13.606 -14.170 -6.529 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.498 -15.447 -7.056 1.00 0.00 C ATOM 625 CD2 PHE A 46 -14.840 -13.539 -6.562 1.00 0.00 C ATOM 626 CE1 PHE A 46 -14.596 -16.081 -7.605 1.00 0.00 C ATOM 627 CE2 PHE A 46 -15.942 -14.168 -7.110 1.00 0.00 C ATOM 628 CZ PHE A 46 -15.820 -15.441 -7.631 1.00 0.00 C ATOM 0 H PHE A 46 -12.189 -13.281 -3.310 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.720 -15.417 -5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.744 -12.602 -5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.765 -13.132 -6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.544 -15.953 -7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.941 -12.544 -6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.497 -17.076 -8.013 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.897 -13.665 -7.131 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.680 -15.935 -8.058 1.00 0.00 H new ATOM 638 N PRO A 47 -9.471 -14.455 -6.180 1.00 0.00 N ATOM 639 CA PRO A 47 -8.049 -14.192 -6.415 1.00 0.00 C ATOM 640 C PRO A 47 -7.773 -12.724 -6.719 1.00 0.00 C ATOM 641 O PRO A 47 -8.200 -12.202 -7.750 1.00 0.00 O ATOM 642 CB PRO A 47 -7.725 -15.059 -7.634 1.00 0.00 C ATOM 643 CG PRO A 47 -9.026 -15.221 -8.341 1.00 0.00 C ATOM 644 CD PRO A 47 -10.080 -15.237 -7.269 1.00 0.00 C ATOM 0 HA PRO A 47 -7.443 -14.420 -5.538 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.984 -14.581 -8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.314 -16.023 -7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.194 -14.403 -9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.044 -16.145 -8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.011 -14.788 -7.614 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.315 -16.253 -6.951 1.00 0.00 H new ATOM 652 N ILE A 48 -7.057 -12.061 -5.816 1.00 0.00 N ATOM 653 CA ILE A 48 -6.723 -10.653 -5.989 1.00 0.00 C ATOM 654 C ILE A 48 -6.309 -10.359 -7.427 1.00 0.00 C ATOM 655 O ILE A 48 -5.453 -11.043 -7.988 1.00 0.00 O ATOM 656 CB ILE A 48 -5.588 -10.223 -5.040 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.066 -10.263 -3.588 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.095 -8.830 -5.404 1.00 0.00 C ATOM 659 CD1 ILE A 48 -4.967 -9.999 -2.582 1.00 0.00 C ATOM 0 H ILE A 48 -6.697 -12.477 -4.957 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.621 -10.083 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.758 -10.921 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.856 -9.524 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.506 -11.240 -3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.293 -8.539 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.721 -8.832 -6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.917 -8.119 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.379 -10.043 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.187 -10.753 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.543 -9.011 -2.758 1.00 0.00 H new ATOM 671 N GLN A 49 -6.920 -9.337 -8.015 1.00 0.00 N ATOM 672 CA GLN A 49 -6.613 -8.951 -9.388 1.00 0.00 C ATOM 673 C GLN A 49 -5.384 -8.049 -9.438 1.00 0.00 C ATOM 674 O GLN A 49 -4.466 -8.278 -10.225 1.00 0.00 O ATOM 675 CB GLN A 49 -7.810 -8.239 -10.020 1.00 0.00 C ATOM 676 CG GLN A 49 -8.988 -9.158 -10.297 1.00 0.00 C ATOM 677 CD GLN A 49 -9.967 -8.569 -11.295 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.941 -7.370 -11.572 1.00 0.00 O ATOM 679 NE2 GLN A 49 -10.836 -9.412 -11.840 1.00 0.00 N ATOM 0 H GLN A 49 -7.630 -8.761 -7.563 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.399 -9.857 -9.954 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.135 -7.435 -9.359 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.494 -7.775 -10.954 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.619 -10.111 -10.675 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.509 -9.366 -9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.821 -10.398 -11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.518 -9.073 -12.518 1.00 0.00 H new ATOM 688 N SER A 50 -5.376 -7.023 -8.593 1.00 0.00 N ATOM 689 CA SER A 50 -4.261 -6.083 -8.544 1.00 0.00 C ATOM 690 C SER A 50 -4.247 -5.326 -7.220 1.00 0.00 C ATOM 691 O SER A 50 -5.242 -5.301 -6.495 1.00 0.00 O ATOM 692 CB SER A 50 -4.348 -5.095 -9.709 1.00 0.00 C ATOM 693 OG SER A 50 -5.574 -4.385 -9.685 1.00 0.00 O ATOM 0 H SER A 50 -6.128 -6.821 -7.934 1.00 0.00 H new ATOM 0 HA SER A 50 -3.335 -6.651 -8.627 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.516 -4.392 -9.657 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.253 -5.632 -10.653 1.00 0.00 H new ATOM 0 HG SER A 50 -5.604 -3.759 -10.438 1.00 0.00 H new ATOM 699 N PHE A 51 -3.112 -4.709 -6.911 1.00 0.00 N ATOM 700 CA PHE A 51 -2.966 -3.951 -5.673 1.00 0.00 C ATOM 701 C PHE A 51 -2.908 -2.453 -5.956 1.00 0.00 C ATOM 702 O PHE A 51 -2.945 -2.026 -7.111 1.00 0.00 O ATOM 703 CB PHE A 51 -1.705 -4.390 -4.927 1.00 0.00 C ATOM 704 CG PHE A 51 -1.809 -5.762 -4.327 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.738 -6.031 -3.335 1.00 0.00 C ATOM 706 CD2 PHE A 51 -0.978 -6.785 -4.756 1.00 0.00 C ATOM 707 CE1 PHE A 51 -2.837 -7.293 -2.782 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.072 -8.049 -4.207 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.003 -8.304 -3.218 1.00 0.00 C ATOM 0 H PHE A 51 -2.280 -4.719 -7.500 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.837 -4.151 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.859 -4.366 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.492 -3.671 -4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.393 -5.244 -2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.248 -6.592 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.566 -7.489 -2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.419 -8.837 -4.550 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.078 -9.291 -2.787 1.00 0.00 H new ATOM 719 N ARG A 52 -2.819 -1.658 -4.895 1.00 0.00 N ATOM 720 CA ARG A 52 -2.759 -0.208 -5.028 1.00 0.00 C ATOM 721 C ARG A 52 -1.956 0.409 -3.887 1.00 0.00 C ATOM 722 O ARG A 52 -2.309 0.264 -2.716 1.00 0.00 O ATOM 723 CB ARG A 52 -4.169 0.383 -5.053 1.00 0.00 C ATOM 724 CG ARG A 52 -4.773 0.460 -6.445 1.00 0.00 C ATOM 725 CD ARG A 52 -5.944 1.429 -6.492 1.00 0.00 C ATOM 726 NE ARG A 52 -6.651 1.372 -7.768 1.00 0.00 N ATOM 727 CZ ARG A 52 -7.664 2.172 -8.084 1.00 0.00 C ATOM 728 NH1 ARG A 52 -8.084 3.087 -7.221 1.00 0.00 N ATOM 729 NH2 ARG A 52 -8.257 2.059 -9.265 1.00 0.00 N ATOM 0 H ARG A 52 -2.787 -1.994 -3.933 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.260 0.025 -5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.818 -0.220 -4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.142 1.384 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.010 0.775 -7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.107 -0.531 -6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.637 1.199 -5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.582 2.443 -6.323 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.351 0.680 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.629 3.178 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.862 3.700 -7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.936 1.357 -9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.034 2.674 -9.506 1.00 0.00 H new ATOM 743 N VAL A 53 -0.875 1.100 -4.235 1.00 0.00 N ATOM 744 CA VAL A 53 -0.023 1.741 -3.241 1.00 0.00 C ATOM 745 C VAL A 53 -0.220 3.252 -3.240 1.00 0.00 C ATOM 746 O VAL A 53 -0.173 3.894 -4.289 1.00 0.00 O ATOM 747 CB VAL A 53 1.464 1.427 -3.490 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.317 1.931 -2.336 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.666 -0.065 -3.701 1.00 0.00 C ATOM 0 H VAL A 53 -0.569 1.230 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.313 1.340 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 53 1.779 1.944 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.364 1.700 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.195 3.010 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.003 1.445 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.723 -0.268 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.334 -0.606 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.086 -0.392 -4.564 1.00 0.00 H new ATOM 759 N GLU A 54 -0.439 3.815 -2.056 1.00 0.00 N ATOM 760 CA GLU A 54 -0.643 5.252 -1.920 1.00 0.00 C ATOM 761 C GLU A 54 0.209 5.818 -0.788 1.00 0.00 C ATOM 762 O GLU A 54 0.474 5.138 0.204 1.00 0.00 O ATOM 763 CB GLU A 54 -2.121 5.558 -1.663 1.00 0.00 C ATOM 764 CG GLU A 54 -3.039 5.112 -2.788 1.00 0.00 C ATOM 765 CD GLU A 54 -4.453 5.635 -2.628 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.622 6.867 -2.514 1.00 0.00 O ATOM 767 OE2 GLU A 54 -5.393 4.811 -2.618 1.00 0.00 O ATOM 0 H GLU A 54 -0.480 3.298 -1.178 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.338 5.726 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.429 5.069 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.240 6.631 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.634 5.455 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.060 4.023 -2.825 1.00 0.00 H new ATOM 774 N TYR A 55 0.635 7.066 -0.943 1.00 0.00 N ATOM 775 CA TYR A 55 1.460 7.723 0.063 1.00 0.00 C ATOM 776 C TYR A 55 0.812 9.020 0.537 1.00 0.00 C ATOM 777 O TYR A 55 -0.200 9.459 -0.009 1.00 0.00 O ATOM 778 CB TYR A 55 2.854 8.012 -0.497 1.00 0.00 C ATOM 779 CG TYR A 55 2.837 8.821 -1.774 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.826 10.211 -1.739 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.829 8.197 -3.016 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.810 10.955 -2.903 1.00 0.00 C ATOM 783 CE2 TYR A 55 2.815 8.933 -4.185 1.00 0.00 C ATOM 784 CZ TYR A 55 2.804 10.311 -4.124 1.00 0.00 C ATOM 785 OH TYR A 55 2.788 11.048 -5.285 1.00 0.00 O ATOM 0 H TYR A 55 0.422 7.643 -1.756 1.00 0.00 H new ATOM 0 HA TYR A 55 1.551 7.050 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.435 8.547 0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.365 7.067 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.830 10.718 -0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.834 7.118 -3.068 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.802 12.034 -2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.813 8.432 -5.142 1.00 0.00 H new ATOM 0 HH TYR A 55 2.787 10.443 -6.056 1.00 0.00 H new ATOM 795 N LYS A 56 1.403 9.631 1.560 1.00 0.00 N ATOM 796 CA LYS A 56 0.886 10.878 2.109 1.00 0.00 C ATOM 797 C LYS A 56 2.020 11.749 2.641 1.00 0.00 C ATOM 798 O LYS A 56 2.920 11.263 3.326 1.00 0.00 O ATOM 799 CB LYS A 56 -0.119 10.591 3.226 1.00 0.00 C ATOM 800 CG LYS A 56 -0.474 11.815 4.054 1.00 0.00 C ATOM 801 CD LYS A 56 -1.623 11.528 5.006 1.00 0.00 C ATOM 802 CE LYS A 56 -1.127 10.956 6.324 1.00 0.00 C ATOM 803 NZ LYS A 56 -2.173 10.147 7.007 1.00 0.00 N ATOM 0 H LYS A 56 2.241 9.281 2.025 1.00 0.00 H new ATOM 0 HA LYS A 56 0.382 11.418 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.030 10.182 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.290 9.824 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.399 12.137 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.745 12.637 3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.179 12.446 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.315 10.826 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.249 10.336 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.813 11.770 6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.819 9.831 7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.026 10.726 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.406 9.318 6.424 1.00 0.00 H new ATOM 817 N LYS A 57 1.969 13.039 2.323 1.00 0.00 N ATOM 818 CA LYS A 57 2.989 13.978 2.772 1.00 0.00 C ATOM 819 C LYS A 57 2.697 14.465 4.187 1.00 0.00 C ATOM 820 O LYS A 57 1.580 14.884 4.492 1.00 0.00 O ATOM 821 CB LYS A 57 3.069 15.171 1.817 1.00 0.00 C ATOM 822 CG LYS A 57 3.807 14.869 0.524 1.00 0.00 C ATOM 823 CD LYS A 57 3.602 15.967 -0.505 1.00 0.00 C ATOM 824 CE LYS A 57 2.330 15.749 -1.308 1.00 0.00 C ATOM 825 NZ LYS A 57 2.040 16.897 -2.212 1.00 0.00 N ATOM 0 H LYS A 57 1.232 13.457 1.756 1.00 0.00 H new ATOM 0 HA LYS A 57 3.947 13.459 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.058 15.503 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.566 15.998 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.871 14.756 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.458 13.919 0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.555 16.933 -0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.458 15.999 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.425 14.837 -1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.492 15.602 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.165 16.709 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.924 17.763 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.828 17.022 -2.879 1.00 0.00 H new ATOM 839 N LEU A 58 3.707 14.408 5.048 1.00 0.00 N ATOM 840 CA LEU A 58 3.558 14.844 6.432 1.00 0.00 C ATOM 841 C LEU A 58 4.070 16.270 6.611 1.00 0.00 C ATOM 842 O LEU A 58 3.317 17.169 6.987 1.00 0.00 O ATOM 843 CB LEU A 58 4.310 13.899 7.370 1.00 0.00 C ATOM 844 CG LEU A 58 3.997 12.410 7.215 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.923 11.576 8.087 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.541 12.132 7.561 1.00 0.00 C ATOM 0 H LEU A 58 4.638 14.064 4.812 1.00 0.00 H new ATOM 0 HA LEU A 58 2.497 14.824 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.380 14.043 7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.093 14.190 8.398 1.00 0.00 H new ATOM 0 HG LEU A 58 4.162 12.130 6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.685 10.519 7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.957 11.752 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.791 11.858 9.132 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.336 11.068 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.349 12.428 8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.893 12.701 6.894 1.00 0.00 H new ATOM 937 N TRP A 64 -3.794 12.014 0.582 1.00 0.00 N ATOM 938 CA TRP A 64 -3.154 10.805 0.075 1.00 0.00 C ATOM 939 C TRP A 64 -3.069 10.831 -1.447 1.00 0.00 C ATOM 940 O TRP A 64 -4.001 11.267 -2.123 1.00 0.00 O ATOM 941 CB TRP A 64 -3.926 9.566 0.534 1.00 0.00 C ATOM 942 CG TRP A 64 -3.693 9.219 1.973 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.361 9.718 3.055 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.723 8.300 2.487 1.00 0.00 C ATOM 945 NE1 TRP A 64 -3.864 9.164 4.210 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.860 8.290 3.888 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.754 7.482 1.899 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -2.062 7.496 4.708 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.964 6.694 2.714 1.00 0.00 C ATOM 950 CH2 TRP A 64 -1.123 6.705 4.106 1.00 0.00 C ATOM 0 HA TRP A 64 -2.141 10.764 0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.992 9.732 0.376 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.640 8.718 -0.088 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.162 10.441 3.009 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.190 9.370 5.154 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.625 7.466 0.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.181 7.505 5.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.211 6.059 2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.491 6.076 4.716 1.00 0.00 H new ATOM 961 N ILE A 65 -1.945 10.363 -1.980 1.00 0.00 N ATOM 962 CA ILE A 65 -1.739 10.332 -3.423 1.00 0.00 C ATOM 963 C ILE A 65 -1.510 8.907 -3.915 1.00 0.00 C ATOM 964 O ILE A 65 -1.286 7.993 -3.120 1.00 0.00 O ATOM 965 CB ILE A 65 -0.541 11.207 -3.839 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.392 12.393 -2.884 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.712 11.690 -5.271 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.462 13.448 -3.059 1.00 0.00 C ATOM 0 H ILE A 65 -1.163 10.000 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.645 10.730 -3.880 1.00 0.00 H new ATOM 0 HB ILE A 65 0.367 10.606 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.418 12.028 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.586 12.850 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.142 12.307 -5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.774 10.831 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.626 12.278 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.294 14.258 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.423 13.841 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.442 13.006 -2.879 1.00 0.00 H new ATOM 980 N LEU A 66 -1.566 8.726 -5.229 1.00 0.00 N ATOM 981 CA LEU A 66 -1.362 7.412 -5.830 1.00 0.00 C ATOM 982 C LEU A 66 0.038 7.295 -6.424 1.00 0.00 C ATOM 983 O LEU A 66 0.403 8.046 -7.329 1.00 0.00 O ATOM 984 CB LEU A 66 -2.411 7.155 -6.912 1.00 0.00 C ATOM 985 CG LEU A 66 -2.320 5.808 -7.630 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.384 4.665 -6.629 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.431 5.679 -8.663 1.00 0.00 C ATOM 0 H LEU A 66 -1.751 9.472 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.467 6.662 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.399 7.236 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.336 7.947 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.362 5.757 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.318 3.714 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.554 4.749 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.326 4.712 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.351 4.715 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.399 5.751 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.339 6.479 -9.398 1.00 0.00 H new ATOM 999 N ALA A 67 0.816 6.349 -5.910 1.00 0.00 N ATOM 1000 CA ALA A 67 2.174 6.131 -6.393 1.00 0.00 C ATOM 1001 C ALA A 67 2.187 5.191 -7.593 1.00 0.00 C ATOM 1002 O ALA A 67 2.472 5.603 -8.718 1.00 0.00 O ATOM 1003 CB ALA A 67 3.050 5.580 -5.278 1.00 0.00 C ATOM 0 H ALA A 67 0.529 5.721 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 67 2.576 7.092 -6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.061 5.422 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.077 6.290 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.641 4.632 -4.929 1.00 0.00 H new ATOM 1009 N THR A 68 1.877 3.921 -7.347 1.00 0.00 N ATOM 1010 CA THR A 68 1.854 2.920 -8.406 1.00 0.00 C ATOM 1011 C THR A 68 0.540 2.147 -8.403 1.00 0.00 C ATOM 1012 O THR A 68 -0.345 2.412 -7.589 1.00 0.00 O ATOM 1013 CB THR A 68 3.022 1.926 -8.265 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.276 1.289 -9.522 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.713 0.875 -7.211 1.00 0.00 C ATOM 0 H THR A 68 1.638 3.562 -6.423 1.00 0.00 H new ATOM 0 HA THR A 68 1.955 3.456 -9.350 1.00 0.00 H new ATOM 0 HB THR A 68 3.907 2.480 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.021 0.660 -9.425 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.552 0.184 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.548 1.361 -6.250 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.817 0.325 -7.498 1.00 0.00 H new ATOM 1023 N SER A 69 0.420 1.190 -9.318 1.00 0.00 N ATOM 1024 CA SER A 69 -0.788 0.379 -9.422 1.00 0.00 C ATOM 1025 C SER A 69 -0.611 -0.728 -10.456 1.00 0.00 C ATOM 1026 O SER A 69 0.461 -0.881 -11.041 1.00 0.00 O ATOM 1027 CB SER A 69 -1.984 1.256 -9.797 1.00 0.00 C ATOM 1028 OG SER A 69 -1.905 1.677 -11.148 1.00 0.00 O ATOM 0 H SER A 69 1.144 0.957 -9.998 1.00 0.00 H new ATOM 0 HA SER A 69 -0.973 -0.081 -8.451 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.909 0.701 -9.639 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.019 2.127 -9.143 1.00 0.00 H new ATOM 0 HG SER A 69 -2.682 2.234 -11.363 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.671 -1.498 -10.676 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.635 -2.591 -11.641 1.00 0.00 C ATOM 1036 C ALA A 70 -0.592 -3.634 -11.251 1.00 0.00 C ATOM 1037 O ALA A 70 0.022 -4.264 -12.112 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.351 -2.055 -13.036 1.00 0.00 C ATOM 0 H ALA A 70 -2.566 -1.386 -10.199 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.612 -3.074 -11.641 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.327 -2.882 -13.746 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.134 -1.353 -13.323 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.388 -1.545 -13.041 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.397 -3.809 -9.948 1.00 0.00 N ATOM 1045 CA ILE A 71 0.572 -4.774 -9.445 1.00 0.00 C ATOM 1046 C ILE A 71 -0.035 -6.171 -9.363 1.00 0.00 C ATOM 1047 O ILE A 71 -1.181 -6.353 -8.951 1.00 0.00 O ATOM 1048 CB ILE A 71 1.098 -4.374 -8.053 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.777 -3.004 -8.116 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.062 -5.426 -7.527 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.120 -2.437 -6.757 1.00 0.00 C ATOM 0 H ILE A 71 -0.897 -3.295 -9.222 1.00 0.00 H new ATOM 0 HA ILE A 71 1.403 -4.781 -10.150 1.00 0.00 H new ATOM 0 HB ILE A 71 0.254 -4.310 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.689 -3.086 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.121 -2.306 -8.637 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.424 -5.128 -6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.548 -6.384 -7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.906 -5.521 -8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.598 -1.465 -6.878 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.209 -2.322 -6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.801 -3.114 -6.241 1.00 0.00 H new ATOM 1063 N PRO A 72 0.750 -7.183 -9.763 1.00 0.00 N ATOM 1064 CA PRO A 72 0.312 -8.580 -9.742 1.00 0.00 C ATOM 1065 C PRO A 72 0.169 -9.123 -8.325 1.00 0.00 C ATOM 1066 O PRO A 72 0.757 -8.606 -7.374 1.00 0.00 O ATOM 1067 CB PRO A 72 1.430 -9.315 -10.485 1.00 0.00 C ATOM 1068 CG PRO A 72 2.632 -8.454 -10.305 1.00 0.00 C ATOM 1069 CD PRO A 72 2.127 -7.038 -10.266 1.00 0.00 C ATOM 0 HA PRO A 72 -0.672 -8.704 -10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.591 -10.311 -10.073 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.188 -9.442 -11.540 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.158 -8.706 -9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.338 -8.594 -11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.732 -6.413 -9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.148 -6.576 -11.253 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.630 -10.190 -8.175 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.867 -10.826 -6.876 1.00 0.00 C ATOM 1079 C PRO A 73 0.366 -11.554 -6.352 1.00 0.00 C ATOM 1080 O PRO A 73 0.566 -11.668 -5.142 1.00 0.00 O ATOM 1081 CB PRO A 73 -1.992 -11.822 -7.169 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.862 -12.123 -8.622 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.362 -10.859 -9.263 1.00 0.00 C ATOM 0 HA PRO A 73 -1.114 -10.097 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.888 -12.725 -6.567 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.968 -11.396 -6.939 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.168 -12.947 -8.789 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.820 -12.423 -9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.713 -11.069 -10.113 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.183 -10.244 -9.632 1.00 0.00 H new ATOM 1091 N SER A 74 1.193 -12.043 -7.271 1.00 0.00 N ATOM 1092 CA SER A 74 2.407 -12.763 -6.902 1.00 0.00 C ATOM 1093 C SER A 74 3.478 -11.800 -6.399 1.00 0.00 C ATOM 1094 O SER A 74 4.469 -12.216 -5.801 1.00 0.00 O ATOM 1095 CB SER A 74 2.937 -13.557 -8.097 1.00 0.00 C ATOM 1096 OG SER A 74 2.093 -14.655 -8.395 1.00 0.00 O ATOM 0 H SER A 74 1.045 -11.954 -8.276 1.00 0.00 H new ATOM 0 HA SER A 74 2.160 -13.455 -6.097 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.011 -12.905 -8.967 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.943 -13.916 -7.881 1.00 0.00 H new ATOM 0 HG SER A 74 2.453 -15.145 -9.164 1.00 0.00 H new ATOM 1102 N ARG A 75 3.269 -10.511 -6.648 1.00 0.00 N ATOM 1103 CA ARG A 75 4.217 -9.488 -6.224 1.00 0.00 C ATOM 1104 C ARG A 75 3.743 -8.807 -4.943 1.00 0.00 C ATOM 1105 O ARG A 75 2.752 -8.076 -4.946 1.00 0.00 O ATOM 1106 CB ARG A 75 4.406 -8.447 -7.329 1.00 0.00 C ATOM 1107 CG ARG A 75 5.396 -7.351 -6.970 1.00 0.00 C ATOM 1108 CD ARG A 75 6.104 -6.814 -8.205 1.00 0.00 C ATOM 1109 NE ARG A 75 7.451 -6.341 -7.901 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.302 -5.906 -8.823 1.00 0.00 C ATOM 1111 NH1 ARG A 75 7.948 -5.884 -10.100 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.512 -5.490 -8.467 1.00 0.00 N ATOM 0 H ARG A 75 2.452 -10.151 -7.141 1.00 0.00 H new ATOM 0 HA ARG A 75 5.173 -9.973 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.745 -8.949 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.442 -7.993 -7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.873 -6.538 -6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.133 -7.740 -6.267 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.157 -7.597 -8.962 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.521 -5.998 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 75 7.755 -6.345 -6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.019 -6.202 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.604 -5.549 -10.805 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.788 -5.505 -7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.165 -5.156 -9.175 1.00 0.00 H new ATOM 1126 N LEU A 76 4.459 -9.051 -3.851 1.00 0.00 N ATOM 1127 CA LEU A 76 4.112 -8.461 -2.562 1.00 0.00 C ATOM 1128 C LEU A 76 5.101 -7.365 -2.181 1.00 0.00 C ATOM 1129 O LEU A 76 5.058 -6.834 -1.072 1.00 0.00 O ATOM 1130 CB LEU A 76 4.085 -9.539 -1.477 1.00 0.00 C ATOM 1131 CG LEU A 76 3.273 -10.794 -1.797 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.272 -11.746 -0.611 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.850 -10.423 -2.188 1.00 0.00 C ATOM 0 H LEU A 76 5.283 -9.653 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 76 3.121 -8.016 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.111 -9.839 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.688 -9.097 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 76 3.740 -11.300 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.689 -12.634 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.296 -12.038 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.830 -11.250 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.286 -11.329 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.372 -9.893 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.870 -9.781 -3.069 1.00 0.00 H new ATOM 1145 N SER A 77 5.991 -7.029 -3.109 1.00 0.00 N ATOM 1146 CA SER A 77 6.992 -5.995 -2.871 1.00 0.00 C ATOM 1147 C SER A 77 7.379 -5.301 -4.174 1.00 0.00 C ATOM 1148 O SER A 77 7.662 -5.954 -5.178 1.00 0.00 O ATOM 1149 CB SER A 77 8.235 -6.602 -2.216 1.00 0.00 C ATOM 1150 OG SER A 77 9.402 -5.883 -2.573 1.00 0.00 O ATOM 0 H SER A 77 6.040 -7.458 -4.033 1.00 0.00 H new ATOM 0 HA SER A 77 6.559 -5.253 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.118 -6.597 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.338 -7.644 -2.520 1.00 0.00 H new ATOM 0 HG SER A 77 10.182 -6.290 -2.141 1.00 0.00 H new ATOM 1156 N VAL A 78 7.386 -3.972 -4.149 1.00 0.00 N ATOM 1157 CA VAL A 78 7.737 -3.187 -5.326 1.00 0.00 C ATOM 1158 C VAL A 78 8.508 -1.931 -4.939 1.00 0.00 C ATOM 1159 O VAL A 78 8.676 -1.634 -3.756 1.00 0.00 O ATOM 1160 CB VAL A 78 6.484 -2.782 -6.126 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.506 -3.944 -6.210 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.824 -1.563 -5.499 1.00 0.00 C ATOM 0 H VAL A 78 7.152 -3.416 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 78 8.368 -3.819 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 78 6.789 -2.521 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.627 -3.640 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.985 -4.788 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.204 -4.239 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.941 -1.290 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.531 -1.794 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.527 -0.730 -5.496 1.00 0.00 H new ATOM 1172 N GLU A 79 8.972 -1.194 -5.944 1.00 0.00 N ATOM 1173 CA GLU A 79 9.726 0.031 -5.707 1.00 0.00 C ATOM 1174 C GLU A 79 8.929 1.254 -6.154 1.00 0.00 C ATOM 1175 O GLU A 79 8.650 1.426 -7.341 1.00 0.00 O ATOM 1176 CB GLU A 79 11.065 -0.017 -6.445 1.00 0.00 C ATOM 1177 CG GLU A 79 11.942 1.199 -6.194 1.00 0.00 C ATOM 1178 CD GLU A 79 13.095 1.298 -7.173 1.00 0.00 C ATOM 1179 OE1 GLU A 79 13.951 0.388 -7.176 1.00 0.00 O ATOM 1180 OE2 GLU A 79 13.143 2.285 -7.937 1.00 0.00 O ATOM 0 H GLU A 79 8.839 -1.424 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 79 9.913 0.112 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.606 -0.913 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.878 -0.105 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.334 2.101 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.335 1.155 -5.178 1.00 0.00 H new ATOM 1187 N ILE A 80 8.567 2.100 -5.195 1.00 0.00 N ATOM 1188 CA ILE A 80 7.803 3.307 -5.490 1.00 0.00 C ATOM 1189 C ILE A 80 8.723 4.449 -5.909 1.00 0.00 C ATOM 1190 O ILE A 80 9.400 5.054 -5.078 1.00 0.00 O ATOM 1191 CB ILE A 80 6.968 3.754 -4.277 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.066 2.612 -3.802 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.138 4.980 -4.628 1.00 0.00 C ATOM 1194 CD1 ILE A 80 4.938 2.295 -4.759 1.00 0.00 C ATOM 0 H ILE A 80 8.790 1.972 -4.208 1.00 0.00 H new ATOM 0 HA ILE A 80 7.131 3.064 -6.313 1.00 0.00 H new ATOM 0 HB ILE A 80 7.646 4.018 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.672 1.717 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.645 2.872 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.553 5.284 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.799 5.795 -4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.466 4.741 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.340 1.476 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.309 3.176 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.351 2.004 -5.725 1.00 0.00 H new ATOM 1206 N THR A 81 8.738 4.742 -7.206 1.00 0.00 N ATOM 1207 CA THR A 81 9.573 5.813 -7.737 1.00 0.00 C ATOM 1208 C THR A 81 8.765 7.089 -7.944 1.00 0.00 C ATOM 1209 O THR A 81 7.536 7.074 -7.881 1.00 0.00 O ATOM 1210 CB THR A 81 10.223 5.408 -9.073 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.212 5.180 -10.061 1.00 0.00 O ATOM 1212 CG2 THR A 81 11.068 4.155 -8.906 1.00 0.00 C ATOM 0 H THR A 81 8.182 4.253 -7.907 1.00 0.00 H new ATOM 0 HA THR A 81 10.356 5.998 -7.002 1.00 0.00 H new ATOM 0 HB THR A 81 10.870 6.223 -9.398 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.634 4.925 -10.908 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.517 3.889 -9.863 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.855 4.342 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.439 3.335 -8.560 1.00 0.00 H new ATOM 1220 N GLY A 82 9.462 8.193 -8.193 1.00 0.00 N ATOM 1221 CA GLY A 82 8.792 9.463 -8.406 1.00 0.00 C ATOM 1222 C GLY A 82 8.485 10.181 -7.108 1.00 0.00 C ATOM 1223 O GLY A 82 7.423 10.790 -6.962 1.00 0.00 O ATOM 0 H GLY A 82 10.480 8.231 -8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.418 10.100 -9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.864 9.294 -8.952 1.00 0.00 H new ATOM 1227 N LEU A 83 9.413 10.111 -6.160 1.00 0.00 N ATOM 1228 CA LEU A 83 9.235 10.758 -4.865 1.00 0.00 C ATOM 1229 C LEU A 83 10.054 12.043 -4.782 1.00 0.00 C ATOM 1230 O LEU A 83 10.900 12.306 -5.636 1.00 0.00 O ATOM 1231 CB LEU A 83 9.641 9.808 -3.738 1.00 0.00 C ATOM 1232 CG LEU A 83 8.944 8.447 -3.723 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.501 7.573 -2.610 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.441 8.619 -3.567 1.00 0.00 C ATOM 0 H LEU A 83 10.297 9.612 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 83 8.181 11.012 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.717 9.642 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.449 10.303 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 83 9.136 7.952 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.993 6.609 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.569 7.421 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.341 8.062 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.962 7.640 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.229 9.135 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.053 9.205 -4.400 1.00 0.00 H new ATOM 1246 N GLU A 84 9.797 12.837 -3.747 1.00 0.00 N ATOM 1247 CA GLU A 84 10.511 14.092 -3.553 1.00 0.00 C ATOM 1248 C GLU A 84 11.389 14.033 -2.306 1.00 0.00 C ATOM 1249 O GLU A 84 10.919 13.700 -1.217 1.00 0.00 O ATOM 1250 CB GLU A 84 9.524 15.255 -3.439 1.00 0.00 C ATOM 1251 CG GLU A 84 9.200 15.911 -4.771 1.00 0.00 C ATOM 1252 CD GLU A 84 10.135 17.060 -5.097 1.00 0.00 C ATOM 1253 OE1 GLU A 84 11.365 16.845 -5.090 1.00 0.00 O ATOM 1254 OE2 GLU A 84 9.636 18.175 -5.360 1.00 0.00 O ATOM 0 H GLU A 84 9.100 12.633 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 84 11.152 14.252 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.600 14.894 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.936 16.006 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.257 15.164 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.173 16.277 -4.752 1.00 0.00 H new ATOM 1261 N LYS A 85 12.667 14.356 -2.472 1.00 0.00 N ATOM 1262 CA LYS A 85 13.611 14.339 -1.362 1.00 0.00 C ATOM 1263 C LYS A 85 13.284 15.437 -0.354 1.00 0.00 C ATOM 1264 O LYS A 85 12.701 16.462 -0.704 1.00 0.00 O ATOM 1265 CB LYS A 85 15.041 14.515 -1.878 1.00 0.00 C ATOM 1266 CG LYS A 85 15.741 13.205 -2.189 1.00 0.00 C ATOM 1267 CD LYS A 85 16.731 13.358 -3.331 1.00 0.00 C ATOM 1268 CE LYS A 85 16.088 13.041 -4.673 1.00 0.00 C ATOM 1269 NZ LYS A 85 15.507 14.256 -5.309 1.00 0.00 N ATOM 0 H LYS A 85 13.073 14.633 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 85 13.529 13.374 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.020 15.129 -2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.622 15.060 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.262 12.850 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.000 12.448 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.119 14.377 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.581 12.695 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.832 12.603 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.306 12.294 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.294 14.057 -6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.632 14.522 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.189 15.039 -5.250 1.00 0.00 H new ATOM 1283 N GLY A 86 13.667 15.215 0.901 1.00 0.00 N ATOM 1284 CA GLY A 86 13.407 16.195 1.939 1.00 0.00 C ATOM 1285 C GLY A 86 11.939 16.276 2.305 1.00 0.00 C ATOM 1286 O GLY A 86 11.514 17.207 2.991 1.00 0.00 O ATOM 0 H GLY A 86 14.152 14.375 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.986 15.942 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.749 17.174 1.604 1.00 0.00 H new ATOM 1290 N ILE A 87 11.161 15.303 1.846 1.00 0.00 N ATOM 1291 CA ILE A 87 9.731 15.270 2.128 1.00 0.00 C ATOM 1292 C ILE A 87 9.328 13.945 2.766 1.00 0.00 C ATOM 1293 O ILE A 87 9.364 12.896 2.122 1.00 0.00 O ATOM 1294 CB ILE A 87 8.899 15.484 0.849 1.00 0.00 C ATOM 1295 CG1 ILE A 87 9.199 16.858 0.245 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.416 15.345 1.153 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.597 18.005 1.024 1.00 0.00 C ATOM 0 H ILE A 87 11.496 14.526 1.277 1.00 0.00 H new ATOM 0 HA ILE A 87 9.528 16.084 2.824 1.00 0.00 H new ATOM 0 HB ILE A 87 9.173 14.720 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.279 16.994 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.822 16.887 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.841 15.499 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.217 14.347 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.125 16.089 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.850 18.947 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.513 17.893 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.993 18.002 2.040 1.00 0.00 H new ATOM 1309 N SER A 88 8.942 14.001 4.037 1.00 0.00 N ATOM 1310 CA SER A 88 8.533 12.804 4.765 1.00 0.00 C ATOM 1311 C SER A 88 7.123 12.380 4.365 1.00 0.00 C ATOM 1312 O SER A 88 6.237 13.217 4.189 1.00 0.00 O ATOM 1313 CB SER A 88 8.594 13.053 6.273 1.00 0.00 C ATOM 1314 OG SER A 88 9.572 14.029 6.589 1.00 0.00 O ATOM 0 H SER A 88 8.904 14.861 4.584 1.00 0.00 H new ATOM 0 HA SER A 88 9.222 12.000 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.618 13.382 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.825 12.121 6.790 1.00 0.00 H new ATOM 0 HG SER A 88 9.590 14.172 7.558 1.00 0.00 H new ATOM 1320 N TYR A 89 6.923 11.075 4.221 1.00 0.00 N ATOM 1321 CA TYR A 89 5.622 10.539 3.839 1.00 0.00 C ATOM 1322 C TYR A 89 5.517 9.059 4.196 1.00 0.00 C ATOM 1323 O TYR A 89 6.515 8.412 4.515 1.00 0.00 O ATOM 1324 CB TYR A 89 5.387 10.732 2.340 1.00 0.00 C ATOM 1325 CG TYR A 89 6.660 10.738 1.524 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.557 9.679 1.592 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.966 11.803 0.685 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.721 9.679 0.849 1.00 0.00 C ATOM 1329 CE2 TYR A 89 8.128 11.811 -0.063 1.00 0.00 C ATOM 1330 CZ TYR A 89 9.002 10.748 0.022 1.00 0.00 C ATOM 1331 OH TYR A 89 10.161 10.753 -0.720 1.00 0.00 O ATOM 0 H TYR A 89 7.645 10.369 4.363 1.00 0.00 H new ATOM 0 HA TYR A 89 4.856 11.083 4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.736 9.936 1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.859 11.672 2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.340 8.841 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.284 12.638 0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.407 8.848 0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.350 12.646 -0.711 1.00 0.00 H new ATOM 0 HH TYR A 89 10.424 11.678 -0.909 1.00 0.00 H new ATOM 1341 N LYS A 90 4.300 8.529 4.137 1.00 0.00 N ATOM 1342 CA LYS A 90 4.062 7.124 4.451 1.00 0.00 C ATOM 1343 C LYS A 90 3.619 6.357 3.209 1.00 0.00 C ATOM 1344 O LYS A 90 3.561 6.913 2.111 1.00 0.00 O ATOM 1345 CB LYS A 90 3.000 6.999 5.546 1.00 0.00 C ATOM 1346 CG LYS A 90 3.204 7.960 6.704 1.00 0.00 C ATOM 1347 CD LYS A 90 2.365 7.567 7.909 1.00 0.00 C ATOM 1348 CE LYS A 90 2.991 8.055 9.206 1.00 0.00 C ATOM 1349 NZ LYS A 90 1.968 8.287 10.263 1.00 0.00 N ATOM 0 H LYS A 90 3.463 9.050 3.875 1.00 0.00 H new ATOM 0 HA LYS A 90 4.997 6.693 4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.017 7.174 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.002 5.978 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.258 7.977 6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.941 8.970 6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.363 7.984 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.257 6.483 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.716 7.321 9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.537 8.980 9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.435 8.619 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.290 9.006 9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.464 7.399 10.459 1.00 0.00 H new ATOM 1363 N PHE A 91 3.307 5.078 3.390 1.00 0.00 N ATOM 1364 CA PHE A 91 2.869 4.235 2.284 1.00 0.00 C ATOM 1365 C PHE A 91 1.788 3.258 2.738 1.00 0.00 C ATOM 1366 O PHE A 91 1.734 2.876 3.907 1.00 0.00 O ATOM 1367 CB PHE A 91 4.056 3.464 1.702 1.00 0.00 C ATOM 1368 CG PHE A 91 5.135 4.351 1.150 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.051 4.956 1.994 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.233 4.578 -0.213 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.045 5.774 1.489 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.225 5.395 -0.725 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.132 5.993 0.128 1.00 0.00 C ATOM 0 H PHE A 91 3.349 4.603 4.292 1.00 0.00 H new ATOM 0 HA PHE A 91 2.449 4.881 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.481 2.828 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.698 2.805 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.988 4.787 3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.527 4.112 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.753 6.241 2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.290 5.565 -1.790 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.908 6.631 -0.269 1.00 0.00 H new ATOM 1383 N ARG A 92 0.928 2.861 1.806 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.153 1.932 2.111 1.00 0.00 C ATOM 1385 C ARG A 92 -0.366 0.950 0.961 1.00 0.00 C ATOM 1386 O ARG A 92 0.326 1.008 -0.054 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.449 2.697 2.389 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.928 3.530 1.211 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.440 3.700 1.229 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.862 4.745 2.156 1.00 0.00 N ATOM 1391 CZ ARG A 92 -5.031 5.372 2.074 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.889 5.059 1.113 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -5.344 6.313 2.957 1.00 0.00 N ATOM 0 H ARG A 92 0.959 3.168 0.834 1.00 0.00 H new ATOM 0 HA ARG A 92 0.126 1.368 3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.229 1.986 2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.298 3.351 3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.450 4.509 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.625 3.053 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.789 3.943 0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.908 2.756 1.510 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.225 5.009 2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.653 4.335 0.434 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.785 5.542 1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.687 6.555 3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.241 6.794 2.893 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.328 0.049 1.131 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.633 -0.945 0.109 1.00 0.00 C ATOM 1409 C VAL A 93 -3.118 -1.292 0.105 1.00 0.00 C ATOM 1410 O VAL A 93 -3.740 -1.410 1.161 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.817 -2.233 0.318 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.184 -3.275 -0.729 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.675 -1.931 0.280 1.00 0.00 C ATOM 0 H VAL A 93 -1.910 -0.013 1.967 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.363 -0.505 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.058 -2.639 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.597 -4.178 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.245 -3.512 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.974 -2.881 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.237 -2.853 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.935 -1.501 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.923 -1.223 1.071 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.678 -1.455 -1.088 1.00 0.00 N ATOM 1424 CA ARG A 94 -5.091 -1.789 -1.230 1.00 0.00 C ATOM 1425 C ARG A 94 -5.278 -2.975 -2.171 1.00 0.00 C ATOM 1426 O ARG A 94 -4.583 -3.095 -3.179 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.872 -0.581 -1.752 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.260 0.409 -0.665 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.568 1.112 -0.995 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.990 2.011 0.076 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.847 3.011 -0.099 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.370 3.238 -1.297 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -9.182 3.786 0.924 1.00 0.00 N ATOM 0 H ARG A 94 -3.176 -1.361 -1.971 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.474 -2.064 -0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.271 -0.067 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.775 -0.931 -2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.356 -0.113 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.468 1.148 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.452 1.678 -1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.345 0.368 -1.172 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.606 1.863 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.114 2.644 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.028 4.006 -1.429 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.782 3.615 1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.840 4.553 0.788 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.221 -3.849 -1.834 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.500 -5.024 -2.649 1.00 0.00 C ATOM 1449 C ALA A 95 -7.744 -4.814 -3.507 1.00 0.00 C ATOM 1450 O ALA A 95 -8.817 -4.492 -2.995 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.668 -6.252 -1.766 1.00 0.00 C ATOM 0 H ALA A 95 -6.805 -3.765 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.652 -5.182 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.876 -7.122 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.752 -6.421 -1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.497 -6.093 -1.076 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.593 -4.997 -4.814 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.704 -4.828 -5.744 1.00 0.00 C ATOM 1459 C LEU A 96 -8.955 -6.109 -6.532 1.00 0.00 C ATOM 1460 O LEU A 96 -8.080 -6.586 -7.253 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.419 -3.672 -6.704 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.637 -2.265 -6.146 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.518 -1.892 -5.186 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.734 -1.251 -7.277 1.00 0.00 C ATOM 0 H LEU A 96 -6.712 -5.262 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.599 -4.599 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.385 -3.752 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.050 -3.794 -7.584 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.578 -2.255 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.690 -0.888 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.497 -2.601 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.563 -1.920 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.889 -0.256 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.811 -1.262 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.572 -1.508 -7.925 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.157 -6.659 -6.390 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.524 -7.884 -7.091 1.00 0.00 C ATOM 1478 C ASN A 97 -11.778 -7.674 -7.934 1.00 0.00 C ATOM 1479 O ASN A 97 -12.281 -6.557 -8.049 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.752 -9.019 -6.090 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.046 -8.856 -5.316 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.683 -7.805 -5.366 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.439 -9.900 -4.597 1.00 0.00 N ATOM 0 H ASN A 97 -10.893 -6.276 -5.796 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.703 -8.153 -7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.767 -9.971 -6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.916 -9.057 -5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.302 -9.851 -4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.878 -10.752 -4.586 1.00 0.00 H new ATOM 1490 N MET A 98 -12.278 -8.757 -8.521 1.00 0.00 N ATOM 1491 CA MET A 98 -13.475 -8.692 -9.351 1.00 0.00 C ATOM 1492 C MET A 98 -14.701 -8.351 -8.512 1.00 0.00 C ATOM 1493 O MET A 98 -15.805 -8.203 -9.038 1.00 0.00 O ATOM 1494 CB MET A 98 -13.692 -10.021 -10.076 1.00 0.00 C ATOM 1495 CG MET A 98 -14.548 -11.006 -9.296 1.00 0.00 C ATOM 1496 SD MET A 98 -14.863 -12.528 -10.209 1.00 0.00 S ATOM 1497 CE MET A 98 -13.526 -13.561 -9.618 1.00 0.00 C ATOM 0 H MET A 98 -11.873 -9.689 -8.437 1.00 0.00 H new ATOM 0 HA MET A 98 -13.332 -7.903 -10.089 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.163 -9.827 -11.040 1.00 0.00 H new ATOM 0 HB3 MET A 98 -12.723 -10.477 -10.280 1.00 0.00 H new ATOM 0 HG2 MET A 98 -14.052 -11.247 -8.356 1.00 0.00 H new ATOM 0 HG3 MET A 98 -15.498 -10.535 -9.044 1.00 0.00 H new ATOM 0 HE1 MET A 98 -13.911 -14.552 -9.378 1.00 0.00 H new ATOM 0 HE2 MET A 98 -12.763 -13.646 -10.391 1.00 0.00 H new ATOM 0 HE3 MET A 98 -13.089 -13.115 -8.724 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.502 -8.227 -7.204 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.593 -7.904 -6.291 1.00 0.00 C ATOM 1509 C LEU A 99 -15.505 -6.453 -5.830 1.00 0.00 C ATOM 1510 O LEU A 99 -16.510 -5.845 -5.463 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.564 -8.837 -5.080 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.454 -10.331 -5.386 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.511 -11.146 -4.103 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.557 -10.763 -6.343 1.00 0.00 C ATOM 0 H LEU A 99 -13.595 -8.345 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.533 -8.041 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.723 -8.553 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.470 -8.672 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.492 -10.513 -5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.431 -12.207 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.686 -10.858 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.457 -10.959 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.463 -11.829 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.529 -10.565 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.470 -10.204 -7.275 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.295 -5.901 -5.855 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.099 -4.524 -5.439 1.00 0.00 C ATOM 1528 C GLY A 100 -12.756 -4.307 -4.769 1.00 0.00 C ATOM 1529 O GLY A 100 -11.885 -5.174 -4.817 1.00 0.00 O ATOM 0 H GLY A 100 -13.448 -6.383 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.178 -3.870 -6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.895 -4.238 -4.751 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.588 -3.143 -4.148 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.341 -2.815 -3.469 1.00 0.00 C ATOM 1535 C GLU A 101 -11.480 -2.990 -1.960 1.00 0.00 C ATOM 1536 O GLU A 101 -12.587 -2.965 -1.420 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.922 -1.379 -3.790 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.651 -0.333 -2.963 1.00 0.00 C ATOM 1539 CD GLU A 101 -11.816 0.983 -3.699 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.513 1.000 -4.736 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -11.248 1.994 -3.238 1.00 0.00 O ATOM 0 H GLU A 101 -13.299 -2.413 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.572 -3.499 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.849 -1.277 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.102 -1.185 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.633 -0.715 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.102 -0.161 -2.037 1.00 0.00 H new ATOM 1548 N SER A 102 -10.350 -3.167 -1.283 1.00 0.00 N ATOM 1549 CA SER A 102 -10.345 -3.351 0.163 1.00 0.00 C ATOM 1550 C SER A 102 -10.010 -2.044 0.876 1.00 0.00 C ATOM 1551 O SER A 102 -9.563 -1.082 0.252 1.00 0.00 O ATOM 1552 CB SER A 102 -9.338 -4.432 0.558 1.00 0.00 C ATOM 1553 OG SER A 102 -8.009 -3.950 0.467 1.00 0.00 O ATOM 0 H SER A 102 -9.425 -3.187 -1.713 1.00 0.00 H new ATOM 0 HA SER A 102 -11.343 -3.666 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.538 -4.765 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.458 -5.300 -0.091 1.00 0.00 H new ATOM 0 HG SER A 102 -7.383 -4.697 0.570 1.00 0.00 H new ATOM 1559 N GLU A 103 -10.230 -2.018 2.187 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.953 -0.830 2.985 1.00 0.00 C ATOM 1561 C GLU A 103 -8.472 -0.469 2.926 1.00 0.00 C ATOM 1562 O GLU A 103 -7.614 -1.303 2.634 1.00 0.00 O ATOM 1563 CB GLU A 103 -10.378 -1.053 4.438 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.873 -0.899 4.665 1.00 0.00 C ATOM 1565 CD GLU A 103 -12.619 -2.213 4.546 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.989 -3.274 4.738 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -13.835 -2.180 4.261 1.00 0.00 O ATOM 0 H GLU A 103 -10.599 -2.806 2.719 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.528 -0.002 2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.073 -2.053 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.847 -0.346 5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.045 -0.476 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.276 -0.190 3.941 1.00 0.00 H new ATOM 1574 N PRO A 104 -8.161 0.805 3.210 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.784 1.306 3.196 1.00 0.00 C ATOM 1576 C PRO A 104 -5.952 0.745 4.344 1.00 0.00 C ATOM 1577 O PRO A 104 -6.224 1.020 5.513 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.956 2.819 3.350 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.263 2.983 4.045 1.00 0.00 C ATOM 1580 CD PRO A 104 -9.132 1.854 3.566 1.00 0.00 C ATOM 0 HA PRO A 104 -6.253 1.014 2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.142 3.253 3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.958 3.318 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.137 2.946 5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.712 3.948 3.809 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.820 1.519 4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.738 2.149 2.709 1.00 0.00 H new ATOM 1588 N SER A 105 -4.935 -0.041 4.004 1.00 0.00 N ATOM 1589 CA SER A 105 -4.066 -0.644 5.007 1.00 0.00 C ATOM 1590 C SER A 105 -3.490 0.420 5.936 1.00 0.00 C ATOM 1591 O SER A 105 -3.441 1.601 5.591 1.00 0.00 O ATOM 1592 CB SER A 105 -2.930 -1.415 4.330 1.00 0.00 C ATOM 1593 OG SER A 105 -2.051 -0.537 3.650 1.00 0.00 O ATOM 0 H SER A 105 -4.693 -0.275 3.041 1.00 0.00 H new ATOM 0 HA SER A 105 -4.663 -1.336 5.601 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.376 -1.982 5.078 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.345 -2.136 3.626 1.00 0.00 H new ATOM 0 HG SER A 105 -1.256 -0.378 4.201 1.00 0.00 H new ATOM 1599 N ALA A 106 -3.054 -0.007 7.117 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.479 0.908 8.095 1.00 0.00 C ATOM 1601 C ALA A 106 -1.318 1.694 7.497 1.00 0.00 C ATOM 1602 O ALA A 106 -0.532 1.178 6.701 1.00 0.00 O ATOM 1603 CB ALA A 106 -2.021 0.142 9.328 1.00 0.00 C ATOM 0 H ALA A 106 -3.088 -0.981 7.419 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.251 1.619 8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.594 0.837 10.050 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.873 -0.369 9.776 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.268 -0.592 9.041 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.204 2.972 7.886 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.141 3.855 7.399 1.00 0.00 C ATOM 1611 C PRO A 107 1.231 3.466 7.941 1.00 0.00 C ATOM 1612 O PRO A 107 1.560 3.759 9.091 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.553 5.232 7.928 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.388 4.941 9.127 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.104 3.652 8.831 1.00 0.00 C ATOM 0 HA PRO A 107 -0.041 3.811 6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.318 5.833 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.115 5.792 7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.770 4.848 10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.097 5.747 9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.259 3.062 9.734 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.087 3.829 8.394 1.00 0.00 H new ATOM 1623 N SER A 108 2.026 2.804 7.107 1.00 0.00 N ATOM 1624 CA SER A 108 3.361 2.372 7.505 1.00 0.00 C ATOM 1625 C SER A 108 4.157 3.535 8.090 1.00 0.00 C ATOM 1626 O SER A 108 3.841 4.701 7.851 1.00 0.00 O ATOM 1627 CB SER A 108 4.106 1.782 6.306 1.00 0.00 C ATOM 1628 OG SER A 108 4.472 2.793 5.384 1.00 0.00 O ATOM 0 H SER A 108 1.769 2.555 6.152 1.00 0.00 H new ATOM 0 HA SER A 108 3.255 1.605 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.998 1.259 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.476 1.044 5.810 1.00 0.00 H new ATOM 0 HG SER A 108 5.278 3.250 5.702 1.00 0.00 H new ATOM 1634 N ARG A 109 5.191 3.208 8.859 1.00 0.00 N ATOM 1635 CA ARG A 109 6.033 4.224 9.479 1.00 0.00 C ATOM 1636 C ARG A 109 6.495 5.251 8.450 1.00 0.00 C ATOM 1637 O ARG A 109 6.638 4.956 7.263 1.00 0.00 O ATOM 1638 CB ARG A 109 7.245 3.574 10.147 1.00 0.00 C ATOM 1639 CG ARG A 109 6.880 2.495 11.154 1.00 0.00 C ATOM 1640 CD ARG A 109 6.419 3.096 12.473 1.00 0.00 C ATOM 1641 NE ARG A 109 7.525 3.691 13.219 1.00 0.00 N ATOM 1642 CZ ARG A 109 7.442 4.049 14.496 1.00 0.00 C ATOM 1643 NH1 ARG A 109 6.310 3.873 15.164 1.00 0.00 N ATOM 1644 NH2 ARG A 109 8.491 4.583 15.105 1.00 0.00 N ATOM 0 H ARG A 109 5.465 2.248 9.067 1.00 0.00 H new ATOM 0 HA ARG A 109 5.441 4.737 10.237 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.884 3.140 9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.829 4.345 10.649 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.090 1.866 10.744 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.742 1.852 11.328 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.661 3.856 12.280 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.948 2.322 13.079 1.00 0.00 H new ATOM 0 HE ARG A 109 8.409 3.840 12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.501 3.462 14.698 1.00 0.00 H new ATOM 0 HH12 ARG A 109 6.248 4.148 16.144 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.363 4.719 14.593 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.426 4.858 16.085 1.00 0.00 H new ATOM 1658 N PRO A 110 6.735 6.486 8.913 1.00 0.00 N ATOM 1659 CA PRO A 110 7.186 7.582 8.049 1.00 0.00 C ATOM 1660 C PRO A 110 8.615 7.382 7.557 1.00 0.00 C ATOM 1661 O PRO A 110 9.496 6.992 8.323 1.00 0.00 O ATOM 1662 CB PRO A 110 7.100 8.810 8.959 1.00 0.00 C ATOM 1663 CG PRO A 110 7.232 8.267 10.340 1.00 0.00 C ATOM 1664 CD PRO A 110 6.586 6.909 10.316 1.00 0.00 C ATOM 0 HA PRO A 110 6.583 7.662 7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.893 9.524 8.737 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.153 9.334 8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.280 8.195 10.632 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.743 8.919 11.064 1.00 0.00 H new ATOM 0 HD2 PRO A 110 7.079 6.217 10.999 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.538 6.957 10.612 1.00 0.00 H new ATOM 1672 N TYR A 111 8.838 7.652 6.276 1.00 0.00 N ATOM 1673 CA TYR A 111 10.161 7.500 5.681 1.00 0.00 C ATOM 1674 C TYR A 111 10.613 8.799 5.021 1.00 0.00 C ATOM 1675 O TYR A 111 9.991 9.277 4.073 1.00 0.00 O ATOM 1676 CB TYR A 111 10.154 6.368 4.653 1.00 0.00 C ATOM 1677 CG TYR A 111 11.531 6.003 4.145 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.078 6.646 3.041 1.00 0.00 C ATOM 1679 CD2 TYR A 111 12.284 5.016 4.769 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.334 6.316 2.573 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.542 4.680 4.308 1.00 0.00 C ATOM 1682 CZ TYR A 111 14.063 5.332 3.209 1.00 0.00 C ATOM 1683 OH TYR A 111 15.316 5.001 2.747 1.00 0.00 O ATOM 0 H TYR A 111 8.120 7.977 5.629 1.00 0.00 H new ATOM 0 HA TYR A 111 10.864 7.254 6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.695 5.486 5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.530 6.659 3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.511 7.417 2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.879 4.503 5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.744 6.825 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 111 14.115 3.911 4.805 1.00 0.00 H new ATOM 0 HH TYR A 111 15.694 4.291 3.307 1.00 0.00 H new ATOM 1693 N VAL A 112 11.704 9.365 5.529 1.00 0.00 N ATOM 1694 CA VAL A 112 12.244 10.607 4.989 1.00 0.00 C ATOM 1695 C VAL A 112 13.301 10.331 3.926 1.00 0.00 C ATOM 1696 O VAL A 112 14.434 9.969 4.243 1.00 0.00 O ATOM 1697 CB VAL A 112 12.861 11.480 6.098 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.373 12.791 5.522 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.846 11.732 7.202 1.00 0.00 C ATOM 0 H VAL A 112 12.231 8.983 6.314 1.00 0.00 H new ATOM 0 HA VAL A 112 11.410 11.144 4.536 1.00 0.00 H new ATOM 0 HB VAL A 112 13.708 10.946 6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.805 13.395 6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.134 12.585 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.547 13.334 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.298 12.350 7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.978 12.246 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.533 10.781 7.633 1.00 0.00 H new ATOM 1709 N VAL A 113 12.923 10.505 2.663 1.00 0.00 N ATOM 1710 CA VAL A 113 13.840 10.275 1.553 1.00 0.00 C ATOM 1711 C VAL A 113 14.934 11.336 1.517 1.00 0.00 C ATOM 1712 O VAL A 113 14.668 12.510 1.260 1.00 0.00 O ATOM 1713 CB VAL A 113 13.097 10.273 0.203 1.00 0.00 C ATOM 1714 CG1 VAL A 113 14.079 10.442 -0.946 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.290 8.994 0.043 1.00 0.00 C ATOM 0 H VAL A 113 11.989 10.804 2.384 1.00 0.00 H new ATOM 0 HA VAL A 113 14.292 9.296 1.712 1.00 0.00 H new ATOM 0 HB VAL A 113 12.406 11.116 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.537 10.438 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.609 11.388 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.796 9.621 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.771 9.009 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.959 8.134 0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.560 8.921 0.849 1.00 0.00 H new ATOM 1725 N SER A 114 16.168 10.915 1.774 1.00 0.00 N ATOM 1726 CA SER A 114 17.304 11.828 1.774 1.00 0.00 C ATOM 1727 C SER A 114 18.260 11.507 0.629 1.00 0.00 C ATOM 1728 O SER A 114 18.468 10.344 0.288 1.00 0.00 O ATOM 1729 CB SER A 114 18.047 11.753 3.110 1.00 0.00 C ATOM 1730 OG SER A 114 18.791 12.936 3.347 1.00 0.00 O ATOM 0 H SER A 114 16.406 9.946 1.985 1.00 0.00 H new ATOM 0 HA SER A 114 16.924 12.840 1.634 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.333 11.601 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.716 10.893 3.110 1.00 0.00 H new ATOM 0 HG SER A 114 19.255 12.864 4.207 1.00 0.00 H new