USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 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 20 SER OG : rot 160:sc= 0.126 USER MOD Set 1.2: A 98 GLN : amide:sc= -7.31! C(o=-7.2!,f=-8.1!) USER MOD Set 2.1: A 42 TYR OH : rot 91:sc= 0.174 USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 0.176 USER MOD Set 3.1: A 17 THR OG1 : rot 147:sc= 0.0755 USER MOD Set 3.2: A 103 HIS : no HD1:sc= 0.045 K(o=0.12,f=-0.54) USER MOD Single : A 15 SER OG : rot 180:sc= -0.249 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.794 K(o=-0.79,f=-2!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.779 K(o=-0.78,f=-3.6) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.094 X(o=-0.094,f=-0.36) USER MOD Single : A 60 ASN : amide:sc= -0.794 X(o=-0.79,f=-0.37) USER MOD Single : A 62 ASN : amide:sc= -0.0565 K(o=-0.056,f=-1.8) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.8 F(o=-2.8,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= -6.49! C(o=-6.5!,f=-8.9!) USER MOD Single : A 76 THR OG1 : rot 55:sc= 0.395 USER MOD Single : A 80 THR OG1 : rot 170:sc= -0.734 USER MOD Single : A 91 LYS NZ :NH3+ -156:sc= 0.167 (180deg=0.0408) USER MOD Single : A 92 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.4!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.066) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0365 USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -15.704 -8.143 -2.681 1.00 0.00 N ATOM 183 CA SER A 15 -15.793 -6.792 -3.224 1.00 0.00 C ATOM 184 C SER A 15 -14.440 -6.090 -3.160 1.00 0.00 C ATOM 185 O SER A 15 -13.821 -6.007 -2.099 1.00 0.00 O ATOM 186 CB SER A 15 -16.839 -5.980 -2.458 1.00 0.00 C ATOM 187 OG SER A 15 -16.407 -5.710 -1.135 1.00 0.00 O ATOM 0 HA SER A 15 -16.095 -6.866 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.030 -5.042 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.781 -6.528 -2.432 1.00 0.00 H new ATOM 0 HG SER A 15 -17.092 -5.189 -0.667 1.00 0.00 H new ATOM 193 N VAL A 16 -13.987 -5.586 -4.303 1.00 0.00 N ATOM 194 CA VAL A 16 -12.708 -4.890 -4.379 1.00 0.00 C ATOM 195 C VAL A 16 -12.895 -3.382 -4.255 1.00 0.00 C ATOM 196 O VAL A 16 -13.812 -2.808 -4.844 1.00 0.00 O ATOM 197 CB VAL A 16 -11.978 -5.199 -5.699 1.00 0.00 C ATOM 198 CG1 VAL A 16 -10.675 -4.419 -5.784 1.00 0.00 C ATOM 199 CG2 VAL A 16 -11.724 -6.693 -5.830 1.00 0.00 C ATOM 0 H VAL A 16 -14.487 -5.647 -5.190 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.103 -5.248 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.614 -4.888 -6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.173 -4.650 -6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.887 -3.351 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.030 -4.696 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.207 -6.893 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.108 -7.032 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.675 -7.226 -5.818 1.00 0.00 H new ATOM 209 N THR A 17 -12.020 -2.744 -3.484 1.00 0.00 N ATOM 210 CA THR A 17 -12.088 -1.302 -3.282 1.00 0.00 C ATOM 211 C THR A 17 -10.826 -0.615 -3.790 1.00 0.00 C ATOM 212 O THR A 17 -9.727 -1.163 -3.694 1.00 0.00 O ATOM 213 CB THR A 17 -12.286 -0.952 -1.795 1.00 0.00 C ATOM 214 OG1 THR A 17 -13.301 -1.787 -1.226 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.674 0.510 -1.630 1.00 0.00 C ATOM 0 H THR A 17 -11.256 -3.203 -2.989 1.00 0.00 H new ATOM 0 HA THR A 17 -12.947 -0.944 -3.850 1.00 0.00 H new ATOM 0 HB THR A 17 -11.343 -1.122 -1.276 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.085 -1.971 -0.288 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.808 0.734 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.886 1.144 -2.038 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.606 0.702 -2.162 1.00 0.00 H new ATOM 223 N LEU A 18 -10.990 0.587 -4.331 1.00 0.00 N ATOM 224 CA LEU A 18 -9.862 1.350 -4.854 1.00 0.00 C ATOM 225 C LEU A 18 -9.789 2.729 -4.206 1.00 0.00 C ATOM 226 O LEU A 18 -10.815 3.324 -3.875 1.00 0.00 O ATOM 227 CB LEU A 18 -9.979 1.494 -6.373 1.00 0.00 C ATOM 228 CG LEU A 18 -8.744 2.037 -7.093 1.00 0.00 C ATOM 229 CD1 LEU A 18 -7.617 1.016 -7.063 1.00 0.00 C ATOM 230 CD2 LEU A 18 -9.085 2.415 -8.526 1.00 0.00 C ATOM 0 H LEU A 18 -11.892 1.054 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.947 0.808 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.220 0.517 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.821 2.151 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.409 2.934 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.746 1.420 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.354 0.794 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.942 0.101 -7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.194 2.799 -9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.446 1.535 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.860 3.182 -8.526 1.00 0.00 H new ATOM 242 N ILE A 19 -8.572 3.231 -4.029 1.00 0.00 N ATOM 243 CA ILE A 19 -8.366 4.540 -3.423 1.00 0.00 C ATOM 244 C ILE A 19 -7.311 5.338 -4.183 1.00 0.00 C ATOM 245 O ILE A 19 -6.115 5.070 -4.069 1.00 0.00 O ATOM 246 CB ILE A 19 -7.939 4.418 -1.949 1.00 0.00 C ATOM 247 CG1 ILE A 19 -6.890 3.316 -1.789 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.148 4.138 -1.069 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.321 2.201 -0.862 1.00 0.00 C ATOM 0 H ILE A 19 -7.713 2.751 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.320 5.064 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.496 5.363 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.664 2.896 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.967 3.756 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.830 4.054 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.864 4.954 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.617 3.205 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.528 1.456 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.519 2.608 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.226 1.735 -1.250 1.00 0.00 H new ATOM 261 N SER A 20 -7.762 6.320 -4.956 1.00 0.00 N ATOM 262 CA SER A 20 -6.857 7.156 -5.736 1.00 0.00 C ATOM 263 C SER A 20 -6.709 8.536 -5.101 1.00 0.00 C ATOM 264 O SER A 20 -7.554 9.411 -5.289 1.00 0.00 O ATOM 265 CB SER A 20 -7.367 7.295 -7.172 1.00 0.00 C ATOM 266 OG SER A 20 -8.330 6.299 -7.469 1.00 0.00 O ATOM 0 H SER A 20 -8.749 6.557 -5.059 1.00 0.00 H new ATOM 0 HA SER A 20 -5.879 6.675 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.806 8.283 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.531 7.216 -7.867 1.00 0.00 H new ATOM 0 HG SER A 20 -8.866 6.582 -8.239 1.00 0.00 H new ATOM 272 N MET A 21 -5.629 8.721 -4.349 1.00 0.00 N ATOM 273 CA MET A 21 -5.369 9.994 -3.687 1.00 0.00 C ATOM 274 C MET A 21 -4.042 10.586 -4.149 1.00 0.00 C ATOM 275 O MET A 21 -3.070 9.873 -4.399 1.00 0.00 O ATOM 276 CB MET A 21 -5.358 9.811 -2.168 1.00 0.00 C ATOM 277 CG MET A 21 -5.840 8.441 -1.718 1.00 0.00 C ATOM 278 SD MET A 21 -5.457 8.104 0.012 1.00 0.00 S ATOM 279 CE MET A 21 -4.571 6.554 -0.134 1.00 0.00 C ATOM 0 H MET A 21 -4.920 8.006 -4.183 1.00 0.00 H new ATOM 0 HA MET A 21 -6.168 10.685 -3.956 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.345 9.970 -1.798 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.987 10.576 -1.713 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.917 8.372 -1.868 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.381 7.675 -2.344 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.266 6.214 0.856 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.219 5.806 -0.591 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.688 6.697 -0.756 1.00 0.00 H new ATOM 289 N PRO A 22 -3.997 11.922 -4.267 1.00 0.00 N ATOM 290 CA PRO A 22 -2.794 12.638 -4.700 1.00 0.00 C ATOM 291 C PRO A 22 -1.686 12.596 -3.654 1.00 0.00 C ATOM 292 O PRO A 22 -1.913 12.897 -2.482 1.00 0.00 O ATOM 293 CB PRO A 22 -3.288 14.074 -4.897 1.00 0.00 C ATOM 294 CG PRO A 22 -4.473 14.193 -4.002 1.00 0.00 C ATOM 295 CD PRO A 22 -5.118 12.835 -3.986 1.00 0.00 C ATOM 0 HA PRO A 22 -2.357 12.196 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.517 14.798 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.557 14.261 -5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.175 14.495 -2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.166 14.950 -4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.579 12.620 -3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.901 12.753 -4.739 1.00 0.00 H new ATOM 303 N ALA A 23 -0.486 12.219 -4.084 1.00 0.00 N ATOM 304 CA ALA A 23 0.658 12.140 -3.185 1.00 0.00 C ATOM 305 C ALA A 23 0.230 11.699 -1.789 1.00 0.00 C ATOM 306 O ALA A 23 -0.753 10.975 -1.630 1.00 0.00 O ATOM 307 CB ALA A 23 1.373 13.481 -3.120 1.00 0.00 C ATOM 0 H ALA A 23 -0.281 11.963 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 23 1.346 11.393 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.225 13.407 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.722 13.756 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.685 14.243 -2.753 1.00 0.00 H new ATOM 391 N ARG A 29 6.269 10.222 4.292 1.00 0.00 N ATOM 392 CA ARG A 29 5.485 9.009 4.098 1.00 0.00 C ATOM 393 C ARG A 29 4.201 9.054 4.922 1.00 0.00 C ATOM 394 O ARG A 29 4.180 9.592 6.028 1.00 0.00 O ATOM 395 CB ARG A 29 6.307 7.778 4.484 1.00 0.00 C ATOM 396 CG ARG A 29 6.618 6.861 3.311 1.00 0.00 C ATOM 397 CD ARG A 29 8.098 6.882 2.965 1.00 0.00 C ATOM 398 NE ARG A 29 8.829 5.801 3.622 1.00 0.00 N ATOM 399 CZ ARG A 29 8.688 4.519 3.304 1.00 0.00 C ATOM 400 NH1 ARG A 29 7.848 4.160 2.343 1.00 0.00 N ATOM 401 NH2 ARG A 29 9.388 3.594 3.947 1.00 0.00 N ATOM 0 HA ARG A 29 5.218 8.944 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.243 8.104 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.765 7.213 5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.314 5.843 3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.036 7.169 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.219 6.797 1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.526 7.840 3.260 1.00 0.00 H new ATOM 0 HE ARG A 29 9.483 6.044 4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.308 4.869 1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.741 3.175 2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.035 3.867 4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.279 2.610 3.702 1.00 0.00 H new ATOM 415 N GLY A 30 3.132 8.486 4.373 1.00 0.00 N ATOM 416 CA GLY A 30 1.858 8.473 5.069 1.00 0.00 C ATOM 417 C GLY A 30 1.611 7.169 5.801 1.00 0.00 C ATOM 418 O GLY A 30 1.393 7.160 7.013 1.00 0.00 O ATOM 0 H GLY A 30 3.125 8.034 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.828 9.297 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.054 8.642 4.352 1.00 0.00 H new ATOM 422 N PHE A 31 1.643 6.063 5.064 1.00 0.00 N ATOM 423 CA PHE A 31 1.417 4.747 5.650 1.00 0.00 C ATOM 424 C PHE A 31 2.498 3.764 5.210 1.00 0.00 C ATOM 425 O PHE A 31 3.097 3.918 4.145 1.00 0.00 O ATOM 426 CB PHE A 31 0.038 4.218 5.252 1.00 0.00 C ATOM 427 CG PHE A 31 -0.041 3.765 3.822 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.072 4.688 2.790 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.084 2.415 3.510 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.144 4.275 1.473 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.155 1.996 2.196 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.187 2.927 1.175 1.00 0.00 C ATOM 0 H PHE A 31 1.823 6.052 4.060 1.00 0.00 H new ATOM 0 HA PHE A 31 1.460 4.847 6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.224 3.385 5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.704 4.999 5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.040 5.743 3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.062 1.683 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.167 5.005 0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.186 0.941 1.966 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.245 2.601 0.147 1.00 0.00 H new ATOM 442 N SER A 32 2.743 2.754 6.038 1.00 0.00 N ATOM 443 CA SER A 32 3.755 1.747 5.738 1.00 0.00 C ATOM 444 C SER A 32 3.105 0.408 5.402 1.00 0.00 C ATOM 445 O SER A 32 1.970 0.139 5.795 1.00 0.00 O ATOM 446 CB SER A 32 4.707 1.581 6.923 1.00 0.00 C ATOM 447 OG SER A 32 4.420 2.522 7.943 1.00 0.00 O ATOM 0 H SER A 32 2.255 2.611 6.922 1.00 0.00 H new ATOM 0 HA SER A 32 4.322 2.084 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.623 0.570 7.322 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.736 1.707 6.587 1.00 0.00 H new ATOM 0 HG SER A 32 5.041 2.394 8.690 1.00 0.00 H new ATOM 453 N VAL A 33 3.835 -0.429 4.671 1.00 0.00 N ATOM 454 CA VAL A 33 3.332 -1.741 4.282 1.00 0.00 C ATOM 455 C VAL A 33 4.359 -2.831 4.569 1.00 0.00 C ATOM 456 O VAL A 33 5.566 -2.587 4.536 1.00 0.00 O ATOM 457 CB VAL A 33 2.963 -1.780 2.787 1.00 0.00 C ATOM 458 CG1 VAL A 33 1.937 -0.706 2.462 1.00 0.00 C ATOM 459 CG2 VAL A 33 4.207 -1.618 1.927 1.00 0.00 C ATOM 0 H VAL A 33 4.776 -0.222 4.337 1.00 0.00 H new ATOM 0 HA VAL A 33 2.436 -1.925 4.875 1.00 0.00 H new ATOM 0 HB VAL A 33 2.520 -2.751 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.689 -0.749 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.036 -0.873 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.350 0.275 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.928 -1.648 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.681 -0.662 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.905 -2.428 2.140 1.00 0.00 H new ATOM 469 N THR A 34 3.873 -4.036 4.850 1.00 0.00 N ATOM 470 CA THR A 34 4.748 -5.164 5.143 1.00 0.00 C ATOM 471 C THR A 34 5.062 -5.959 3.881 1.00 0.00 C ATOM 472 O THR A 34 4.180 -6.588 3.296 1.00 0.00 O ATOM 473 CB THR A 34 4.119 -6.106 6.187 1.00 0.00 C ATOM 474 OG1 THR A 34 3.744 -5.364 7.353 1.00 0.00 O ATOM 475 CG2 THR A 34 5.091 -7.211 6.574 1.00 0.00 C ATOM 0 H THR A 34 2.877 -4.256 4.881 1.00 0.00 H new ATOM 0 HA THR A 34 5.672 -4.751 5.547 1.00 0.00 H new ATOM 0 HB THR A 34 3.232 -6.562 5.746 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.343 -5.969 8.011 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.625 -7.864 7.312 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.352 -7.792 5.690 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.993 -6.770 6.998 1.00 0.00 H new ATOM 483 N VAL A 35 6.324 -5.928 3.466 1.00 0.00 N ATOM 484 CA VAL A 35 6.755 -6.647 2.274 1.00 0.00 C ATOM 485 C VAL A 35 7.336 -8.010 2.634 1.00 0.00 C ATOM 486 O VAL A 35 8.290 -8.104 3.406 1.00 0.00 O ATOM 487 CB VAL A 35 7.807 -5.846 1.484 1.00 0.00 C ATOM 488 CG1 VAL A 35 8.531 -6.746 0.494 1.00 0.00 C ATOM 489 CG2 VAL A 35 7.155 -4.671 0.770 1.00 0.00 C ATOM 0 H VAL A 35 7.066 -5.412 3.938 1.00 0.00 H new ATOM 0 HA VAL A 35 5.871 -6.785 1.651 1.00 0.00 H new ATOM 0 HB VAL A 35 8.542 -5.453 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.270 -6.163 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.031 -7.551 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.811 -7.170 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.912 -4.116 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.398 -5.040 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.687 -4.014 1.503 1.00 0.00 H new ATOM 499 N GLU A 36 6.754 -9.063 2.070 1.00 0.00 N ATOM 500 CA GLU A 36 7.214 -10.422 2.332 1.00 0.00 C ATOM 501 C GLU A 36 7.754 -11.069 1.060 1.00 0.00 C ATOM 502 O GLU A 36 7.121 -11.014 0.006 1.00 0.00 O ATOM 503 CB GLU A 36 6.076 -11.268 2.905 1.00 0.00 C ATOM 504 CG GLU A 36 5.472 -10.697 4.177 1.00 0.00 C ATOM 505 CD GLU A 36 4.790 -11.753 5.024 1.00 0.00 C ATOM 506 OE1 GLU A 36 5.286 -12.899 5.057 1.00 0.00 O ATOM 507 OE2 GLU A 36 3.760 -11.435 5.654 1.00 0.00 O ATOM 0 H GLU A 36 5.963 -9.002 1.429 1.00 0.00 H new ATOM 0 HA GLU A 36 8.021 -10.370 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.293 -11.365 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.448 -12.272 3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.256 -10.217 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.750 -9.923 3.916 1.00 0.00 H new ATOM 514 N SER A 37 8.929 -11.682 1.168 1.00 0.00 N ATOM 515 CA SER A 37 9.557 -12.336 0.026 1.00 0.00 C ATOM 516 C SER A 37 10.000 -13.750 0.386 1.00 0.00 C ATOM 517 O SER A 37 10.797 -13.948 1.303 1.00 0.00 O ATOM 518 CB SER A 37 10.757 -11.521 -0.459 1.00 0.00 C ATOM 519 OG SER A 37 11.899 -12.344 -0.626 1.00 0.00 O ATOM 0 H SER A 37 9.465 -11.739 2.034 1.00 0.00 H new ATOM 0 HA SER A 37 8.821 -12.398 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.513 -11.036 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.977 -10.730 0.258 1.00 0.00 H new ATOM 0 HG SER A 37 12.652 -11.800 -0.938 1.00 0.00 H new ATOM 571 N TYR A 42 11.654 -10.719 -5.619 1.00 0.00 N ATOM 572 CA TYR A 42 10.281 -10.302 -5.875 1.00 0.00 C ATOM 573 C TYR A 42 9.419 -10.469 -4.627 1.00 0.00 C ATOM 574 O TYR A 42 9.773 -11.209 -3.710 1.00 0.00 O ATOM 575 CB TYR A 42 9.687 -11.109 -7.031 1.00 0.00 C ATOM 576 CG TYR A 42 8.967 -12.362 -6.586 1.00 0.00 C ATOM 577 CD1 TYR A 42 9.620 -13.335 -5.840 1.00 0.00 C ATOM 578 CD2 TYR A 42 7.633 -12.573 -6.913 1.00 0.00 C ATOM 579 CE1 TYR A 42 8.966 -14.482 -5.432 1.00 0.00 C ATOM 580 CE2 TYR A 42 6.971 -13.716 -6.509 1.00 0.00 C ATOM 581 CZ TYR A 42 7.642 -14.667 -5.769 1.00 0.00 C ATOM 582 OH TYR A 42 6.986 -15.808 -5.365 1.00 0.00 O ATOM 0 HA TYR A 42 10.294 -9.247 -6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.992 -10.478 -7.585 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.486 -11.384 -7.720 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.657 -13.193 -5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.105 -11.831 -7.493 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.489 -15.229 -4.853 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.934 -13.864 -6.771 1.00 0.00 H new ATOM 0 HH TYR A 42 6.555 -15.649 -4.499 1.00 0.00 H new ATOM 592 N ALA A 43 8.285 -9.776 -4.602 1.00 0.00 N ATOM 593 CA ALA A 43 7.371 -9.849 -3.469 1.00 0.00 C ATOM 594 C ALA A 43 6.493 -11.093 -3.552 1.00 0.00 C ATOM 595 O ALA A 43 6.512 -11.814 -4.550 1.00 0.00 O ATOM 596 CB ALA A 43 6.510 -8.596 -3.405 1.00 0.00 C ATOM 0 H ALA A 43 7.978 -9.158 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 43 7.965 -9.916 -2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.832 -8.664 -2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.149 -7.721 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.931 -8.505 -4.324 1.00 0.00 H new ATOM 602 N THR A 44 5.724 -11.340 -2.496 1.00 0.00 N ATOM 603 CA THR A 44 4.840 -12.498 -2.448 1.00 0.00 C ATOM 604 C THR A 44 3.536 -12.165 -1.732 1.00 0.00 C ATOM 605 O THR A 44 2.468 -12.651 -2.107 1.00 0.00 O ATOM 606 CB THR A 44 5.512 -13.689 -1.739 1.00 0.00 C ATOM 607 OG1 THR A 44 5.807 -14.721 -2.688 1.00 0.00 O ATOM 608 CG2 THR A 44 4.615 -14.242 -0.642 1.00 0.00 C ATOM 0 H THR A 44 5.696 -10.753 -1.662 1.00 0.00 H new ATOM 0 HA THR A 44 4.624 -12.774 -3.480 1.00 0.00 H new ATOM 0 HB THR A 44 6.439 -13.338 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.236 -15.474 -2.230 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.111 -15.082 -0.156 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.417 -13.462 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.674 -14.578 -1.077 1.00 0.00 H new ATOM 616 N THR A 45 3.629 -11.333 -0.700 1.00 0.00 N ATOM 617 CA THR A 45 2.456 -10.936 0.069 1.00 0.00 C ATOM 618 C THR A 45 2.631 -9.540 0.657 1.00 0.00 C ATOM 619 O THR A 45 3.729 -9.160 1.064 1.00 0.00 O ATOM 620 CB THR A 45 2.170 -11.929 1.211 1.00 0.00 C ATOM 621 OG1 THR A 45 2.180 -13.270 0.708 1.00 0.00 O ATOM 622 CG2 THR A 45 0.825 -11.636 1.859 1.00 0.00 C ATOM 0 H THR A 45 4.504 -10.921 -0.377 1.00 0.00 H new ATOM 0 HA THR A 45 1.612 -10.934 -0.621 1.00 0.00 H new ATOM 0 HB THR A 45 2.950 -11.817 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.999 -13.895 1.440 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.645 -12.350 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.830 -10.625 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.035 -11.723 1.113 1.00 0.00 H new ATOM 630 N VAL A 46 1.541 -8.780 0.700 1.00 0.00 N ATOM 631 CA VAL A 46 1.574 -7.426 1.240 1.00 0.00 C ATOM 632 C VAL A 46 0.448 -7.208 2.243 1.00 0.00 C ATOM 633 O VAL A 46 -0.687 -7.628 2.018 1.00 0.00 O ATOM 634 CB VAL A 46 1.463 -6.373 0.122 1.00 0.00 C ATOM 635 CG1 VAL A 46 1.278 -4.984 0.713 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.689 -6.419 -0.777 1.00 0.00 C ATOM 0 H VAL A 46 0.624 -9.079 0.367 1.00 0.00 H new ATOM 0 HA VAL A 46 2.533 -7.309 1.744 1.00 0.00 H new ATOM 0 HB VAL A 46 0.587 -6.604 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.202 -4.253 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.367 -4.961 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.133 -4.740 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.593 -5.668 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.582 -6.214 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.772 -7.407 -1.229 1.00 0.00 H new ATOM 646 N GLN A 47 0.769 -6.547 3.351 1.00 0.00 N ATOM 647 CA GLN A 47 -0.217 -6.272 4.389 1.00 0.00 C ATOM 648 C GLN A 47 0.044 -4.920 5.044 1.00 0.00 C ATOM 649 O GLN A 47 1.175 -4.606 5.414 1.00 0.00 O ATOM 650 CB GLN A 47 -0.195 -7.377 5.447 1.00 0.00 C ATOM 651 CG GLN A 47 -1.551 -8.024 5.679 1.00 0.00 C ATOM 652 CD GLN A 47 -1.442 -9.484 6.071 1.00 0.00 C ATOM 653 OE1 GLN A 47 -1.703 -10.376 5.263 1.00 0.00 O ATOM 654 NE2 GLN A 47 -1.054 -9.736 7.315 1.00 0.00 N ATOM 0 H GLN A 47 1.704 -6.192 3.553 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.201 -6.244 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.517 -8.144 5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.165 -6.961 6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.079 -7.480 6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.150 -7.939 4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.848 -8.966 7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.962 -10.700 7.635 1.00 0.00 H new ATOM 663 N VAL A 48 -1.010 -4.122 5.184 1.00 0.00 N ATOM 664 CA VAL A 48 -0.895 -2.803 5.795 1.00 0.00 C ATOM 665 C VAL A 48 -0.599 -2.912 7.286 1.00 0.00 C ATOM 666 O VAL A 48 -1.463 -3.295 8.076 1.00 0.00 O ATOM 667 CB VAL A 48 -2.181 -1.979 5.597 1.00 0.00 C ATOM 668 CG1 VAL A 48 -1.945 -0.523 5.968 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.675 -2.099 4.163 1.00 0.00 C ATOM 0 H VAL A 48 -1.953 -4.366 4.882 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.067 -2.296 5.300 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.952 -2.377 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.865 0.043 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.641 -0.458 7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.159 -0.109 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.584 -1.511 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.909 -1.728 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.886 -3.144 3.937 1.00 0.00 H new ATOM 679 N LYS A 49 0.628 -2.573 7.667 1.00 0.00 N ATOM 680 CA LYS A 49 1.039 -2.631 9.064 1.00 0.00 C ATOM 681 C LYS A 49 0.450 -1.466 9.853 1.00 0.00 C ATOM 682 O LYS A 49 -0.383 -1.662 10.737 1.00 0.00 O ATOM 683 CB LYS A 49 2.566 -2.611 9.169 1.00 0.00 C ATOM 684 CG LYS A 49 3.077 -2.562 10.598 1.00 0.00 C ATOM 685 CD LYS A 49 4.545 -2.947 10.679 1.00 0.00 C ATOM 686 CE LYS A 49 5.331 -1.969 11.539 1.00 0.00 C ATOM 687 NZ LYS A 49 6.018 -0.935 10.716 1.00 0.00 N ATOM 0 H LYS A 49 1.356 -2.255 7.027 1.00 0.00 H new ATOM 0 HA LYS A 49 0.664 -3.562 9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.967 -3.498 8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.948 -1.747 8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.941 -1.558 11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.488 -3.237 11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.637 -3.951 11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.971 -2.975 9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.657 -1.483 12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.069 -2.514 12.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.543 -0.288 11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.680 -1.397 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.312 -0.397 10.174 1.00 0.00 H new ATOM 701 N GLU A 50 0.888 -0.254 9.526 1.00 0.00 N ATOM 702 CA GLU A 50 0.402 0.942 10.205 1.00 0.00 C ATOM 703 C GLU A 50 -0.223 1.916 9.210 1.00 0.00 C ATOM 704 O GLU A 50 -0.012 1.809 8.002 1.00 0.00 O ATOM 705 CB GLU A 50 1.544 1.627 10.958 1.00 0.00 C ATOM 706 CG GLU A 50 1.867 0.980 12.294 1.00 0.00 C ATOM 707 CD GLU A 50 1.439 1.831 13.474 1.00 0.00 C ATOM 708 OE1 GLU A 50 1.391 3.070 13.325 1.00 0.00 O ATOM 709 OE2 GLU A 50 1.153 1.258 14.546 1.00 0.00 O ATOM 0 H GLU A 50 1.578 -0.074 8.796 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.363 0.638 10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.437 1.617 10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.283 2.672 11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.373 0.010 12.352 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.940 0.796 12.354 1.00 0.00 H new ATOM 716 N VAL A 51 -0.994 2.867 9.728 1.00 0.00 N ATOM 717 CA VAL A 51 -1.650 3.861 8.886 1.00 0.00 C ATOM 718 C VAL A 51 -1.845 5.174 9.637 1.00 0.00 C ATOM 719 O VAL A 51 -2.287 5.184 10.785 1.00 0.00 O ATOM 720 CB VAL A 51 -3.018 3.360 8.387 1.00 0.00 C ATOM 721 CG1 VAL A 51 -3.697 4.420 7.535 1.00 0.00 C ATOM 722 CG2 VAL A 51 -2.857 2.062 7.610 1.00 0.00 C ATOM 0 H VAL A 51 -1.180 2.970 10.726 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.999 4.029 8.028 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.652 3.164 9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.662 4.048 7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.846 5.323 8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.070 4.651 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.833 1.721 7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.206 2.230 6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.416 1.303 8.256 1.00 0.00 H new ATOM 732 N ASN A 52 -1.514 6.280 8.980 1.00 0.00 N ATOM 733 CA ASN A 52 -1.653 7.600 9.585 1.00 0.00 C ATOM 734 C ASN A 52 -2.881 8.322 9.039 1.00 0.00 C ATOM 735 O ASN A 52 -3.036 8.475 7.828 1.00 0.00 O ATOM 736 CB ASN A 52 -0.398 8.437 9.328 1.00 0.00 C ATOM 737 CG ASN A 52 0.039 9.215 10.553 1.00 0.00 C ATOM 738 OD1 ASN A 52 -0.219 10.414 10.666 1.00 0.00 O ATOM 739 ND2 ASN A 52 0.706 8.535 11.479 1.00 0.00 N ATOM 0 H ASN A 52 -1.147 6.289 8.028 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.779 7.468 10.660 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.413 7.782 9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.589 9.131 8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.026 9.006 12.325 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.898 7.542 11.344 1.00 0.00 H new ATOM 746 N ARG A 53 -3.750 8.765 9.942 1.00 0.00 N ATOM 747 CA ARG A 53 -4.964 9.471 9.551 1.00 0.00 C ATOM 748 C ARG A 53 -4.679 10.950 9.306 1.00 0.00 C ATOM 749 O ARG A 53 -5.514 11.671 8.761 1.00 0.00 O ATOM 750 CB ARG A 53 -6.037 9.320 10.631 1.00 0.00 C ATOM 751 CG ARG A 53 -6.262 7.882 11.069 1.00 0.00 C ATOM 752 CD ARG A 53 -7.527 7.745 11.903 1.00 0.00 C ATOM 753 NE ARG A 53 -7.427 8.465 13.170 1.00 0.00 N ATOM 754 CZ ARG A 53 -6.814 7.981 14.244 1.00 0.00 C ATOM 755 NH1 ARG A 53 -6.247 6.783 14.204 1.00 0.00 N ATOM 756 NH2 ARG A 53 -6.765 8.697 15.360 1.00 0.00 N ATOM 0 H ARG A 53 -3.636 8.647 10.949 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.327 9.030 8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.753 9.915 11.499 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.976 9.728 10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.332 7.240 10.191 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.404 7.538 11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.378 8.124 11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.719 6.690 12.099 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.851 9.390 13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.281 6.231 13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.777 6.413 15.030 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.198 9.620 15.393 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.294 8.325 16.185 1.00 0.00 H new ATOM 770 N MET A 54 -3.494 11.393 9.713 1.00 0.00 N ATOM 771 CA MET A 54 -3.098 12.786 9.537 1.00 0.00 C ATOM 772 C MET A 54 -2.489 13.008 8.156 1.00 0.00 C ATOM 773 O MET A 54 -2.545 14.111 7.612 1.00 0.00 O ATOM 774 CB MET A 54 -2.098 13.195 10.620 1.00 0.00 C ATOM 775 CG MET A 54 -2.751 13.563 11.942 1.00 0.00 C ATOM 776 SD MET A 54 -1.951 14.965 12.745 1.00 0.00 S ATOM 777 CE MET A 54 -3.255 16.191 12.664 1.00 0.00 C ATOM 0 H MET A 54 -2.792 10.809 10.166 1.00 0.00 H new ATOM 0 HA MET A 54 -3.991 13.405 9.625 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.399 12.376 10.785 1.00 0.00 H new ATOM 0 HB3 MET A 54 -1.515 14.044 10.263 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.801 13.798 11.771 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.722 12.702 12.609 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.912 17.118 13.123 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.516 16.376 11.622 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.132 15.825 13.198 1.00 0.00 H new ATOM 787 N HIS A 55 -1.907 11.953 7.594 1.00 0.00 N ATOM 788 CA HIS A 55 -1.288 12.033 6.276 1.00 0.00 C ATOM 789 C HIS A 55 -2.276 11.627 5.186 1.00 0.00 C ATOM 790 O HIS A 55 -2.055 11.896 4.004 1.00 0.00 O ATOM 791 CB HIS A 55 -0.049 11.139 6.216 1.00 0.00 C ATOM 792 CG HIS A 55 0.975 11.464 7.259 1.00 0.00 C ATOM 793 ND1 HIS A 55 1.525 10.515 8.095 1.00 0.00 N ATOM 794 CD2 HIS A 55 1.550 12.641 7.599 1.00 0.00 C ATOM 795 CE1 HIS A 55 2.393 11.095 8.905 1.00 0.00 C ATOM 796 NE2 HIS A 55 2.428 12.385 8.624 1.00 0.00 N ATOM 0 H HIS A 55 -1.851 11.033 8.031 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.989 13.067 6.104 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.355 10.099 6.331 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.407 11.230 5.230 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.355 13.603 7.148 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.975 10.599 9.667 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.012 13.078 9.092 1.00 0.00 H new ATOM 805 N ILE A 56 -3.363 10.979 5.591 1.00 0.00 N ATOM 806 CA ILE A 56 -4.383 10.538 4.648 1.00 0.00 C ATOM 807 C ILE A 56 -5.658 11.362 4.793 1.00 0.00 C ATOM 808 O ILE A 56 -6.484 11.411 3.881 1.00 0.00 O ATOM 809 CB ILE A 56 -4.723 9.048 4.843 1.00 0.00 C ATOM 810 CG1 ILE A 56 -3.453 8.199 4.768 1.00 0.00 C ATOM 811 CG2 ILE A 56 -5.733 8.594 3.800 1.00 0.00 C ATOM 812 CD1 ILE A 56 -3.688 6.733 5.059 1.00 0.00 C ATOM 0 H ILE A 56 -3.560 10.748 6.565 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.972 10.681 3.648 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.167 8.918 5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.017 8.298 3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.722 8.589 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.963 7.539 3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.646 9.182 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.315 8.735 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.744 6.192 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.095 6.622 6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.394 6.327 4.335 1.00 0.00 H new ATOM 824 N SER A 57 -5.811 12.009 5.944 1.00 0.00 N ATOM 825 CA SER A 57 -6.987 12.830 6.209 1.00 0.00 C ATOM 826 C SER A 57 -8.246 11.971 6.271 1.00 0.00 C ATOM 827 O SER A 57 -8.333 10.906 5.658 1.00 0.00 O ATOM 828 CB SER A 57 -7.140 13.903 5.129 1.00 0.00 C ATOM 829 OG SER A 57 -6.750 15.175 5.616 1.00 0.00 O ATOM 0 H SER A 57 -5.136 11.981 6.708 1.00 0.00 H new ATOM 0 HA SER A 57 -6.851 13.315 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.534 13.640 4.262 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.176 13.941 4.793 1.00 0.00 H new ATOM 0 HG SER A 57 -6.855 15.843 4.907 1.00 0.00 H new ATOM 835 N PRO A 58 -9.247 12.443 7.029 1.00 0.00 N ATOM 836 CA PRO A 58 -10.521 11.736 7.189 1.00 0.00 C ATOM 837 C PRO A 58 -11.353 11.744 5.912 1.00 0.00 C ATOM 838 O PRO A 58 -12.359 12.446 5.820 1.00 0.00 O ATOM 839 CB PRO A 58 -11.228 12.525 8.294 1.00 0.00 C ATOM 840 CG PRO A 58 -10.640 13.892 8.219 1.00 0.00 C ATOM 841 CD PRO A 58 -9.212 13.705 7.787 1.00 0.00 C ATOM 0 HA PRO A 58 -10.375 10.682 7.426 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.306 12.549 8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.059 12.075 9.272 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.185 14.513 7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.693 14.393 9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.867 14.535 7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.539 13.642 8.642 1.00 0.00 H new ATOM 849 N ASN A 59 -10.927 10.959 4.928 1.00 0.00 N ATOM 850 CA ASN A 59 -11.634 10.876 3.655 1.00 0.00 C ATOM 851 C ASN A 59 -11.433 9.509 3.008 1.00 0.00 C ATOM 852 O ASN A 59 -12.353 8.693 2.959 1.00 0.00 O ATOM 853 CB ASN A 59 -11.152 11.977 2.708 1.00 0.00 C ATOM 854 CG ASN A 59 -12.297 12.795 2.142 1.00 0.00 C ATOM 855 OD1 ASN A 59 -13.240 13.139 2.854 1.00 0.00 O ATOM 856 ND2 ASN A 59 -12.218 13.111 0.854 1.00 0.00 N ATOM 0 H ASN A 59 -10.096 10.371 4.988 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.698 11.013 3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.467 12.636 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.590 11.528 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.958 13.660 0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.417 12.804 0.302 1.00 0.00 H new ATOM 863 N ASN A 60 -10.223 9.266 2.515 1.00 0.00 N ATOM 864 CA ASN A 60 -9.901 7.998 1.871 1.00 0.00 C ATOM 865 C ASN A 60 -9.575 6.928 2.909 1.00 0.00 C ATOM 866 O ASN A 60 -9.427 5.752 2.578 1.00 0.00 O ATOM 867 CB ASN A 60 -8.719 8.173 0.915 1.00 0.00 C ATOM 868 CG ASN A 60 -9.092 8.958 -0.328 1.00 0.00 C ATOM 869 OD1 ASN A 60 -10.058 8.629 -1.016 1.00 0.00 O ATOM 870 ND2 ASN A 60 -8.325 10.002 -0.621 1.00 0.00 N ATOM 0 H ASN A 60 -9.450 9.930 2.549 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.774 7.675 1.304 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.908 8.684 1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.343 7.192 0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.527 10.568 -1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.534 10.238 -0.022 1.00 0.00 H new ATOM 877 N ARG A 61 -9.466 7.346 4.166 1.00 0.00 N ATOM 878 CA ARG A 61 -9.157 6.424 5.253 1.00 0.00 C ATOM 879 C ARG A 61 -10.310 5.451 5.484 1.00 0.00 C ATOM 880 O ARG A 61 -10.146 4.426 6.145 1.00 0.00 O ATOM 881 CB ARG A 61 -8.864 7.199 6.539 1.00 0.00 C ATOM 882 CG ARG A 61 -9.998 8.113 6.972 1.00 0.00 C ATOM 883 CD ARG A 61 -11.207 7.317 7.440 1.00 0.00 C ATOM 884 NE ARG A 61 -11.830 7.911 8.620 1.00 0.00 N ATOM 885 CZ ARG A 61 -12.801 7.325 9.311 1.00 0.00 C ATOM 886 NH1 ARG A 61 -13.257 6.136 8.943 1.00 0.00 N ATOM 887 NH2 ARG A 61 -13.317 7.929 10.374 1.00 0.00 N ATOM 0 H ARG A 61 -9.587 8.316 4.457 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.272 5.852 4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.654 6.490 7.340 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.963 7.795 6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.655 8.764 7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.285 8.758 6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.938 7.261 6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.903 6.295 7.666 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.501 8.825 8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.862 5.669 8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.003 5.689 9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.968 8.844 10.660 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.063 7.479 10.905 1.00 0.00 H new ATOM 901 N ASN A 62 -11.475 5.780 4.936 1.00 0.00 N ATOM 902 CA ASN A 62 -12.655 4.936 5.084 1.00 0.00 C ATOM 903 C ASN A 62 -12.606 3.759 4.115 1.00 0.00 C ATOM 904 O ASN A 62 -13.579 3.019 3.971 1.00 0.00 O ATOM 905 CB ASN A 62 -13.926 5.754 4.846 1.00 0.00 C ATOM 906 CG ASN A 62 -15.145 5.129 5.496 1.00 0.00 C ATOM 907 OD1 ASN A 62 -15.073 4.033 6.051 1.00 0.00 O ATOM 908 ND2 ASN A 62 -16.274 5.826 5.428 1.00 0.00 N ATOM 0 H ASN A 62 -11.627 6.625 4.385 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.667 4.546 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.785 6.762 5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.098 5.850 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -17.128 5.456 5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.287 6.731 4.958 1.00 0.00 H new ATOM 915 N ALA A 63 -11.466 3.592 3.452 1.00 0.00 N ATOM 916 CA ALA A 63 -11.289 2.503 2.499 1.00 0.00 C ATOM 917 C ALA A 63 -10.089 1.639 2.870 1.00 0.00 C ATOM 918 O ALA A 63 -10.047 0.450 2.552 1.00 0.00 O ATOM 919 CB ALA A 63 -11.129 3.056 1.091 1.00 0.00 C ATOM 0 H ALA A 63 -10.652 4.197 3.557 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.179 1.875 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.998 2.232 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.018 3.625 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.256 3.708 1.053 1.00 0.00 H new ATOM 925 N ILE A 64 -9.115 2.243 3.542 1.00 0.00 N ATOM 926 CA ILE A 64 -7.915 1.527 3.956 1.00 0.00 C ATOM 927 C ILE A 64 -7.862 1.373 5.472 1.00 0.00 C ATOM 928 O ILE A 64 -8.644 1.989 6.197 1.00 0.00 O ATOM 929 CB ILE A 64 -6.639 2.246 3.479 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.472 1.259 3.395 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.299 3.397 4.414 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.495 1.571 2.284 1.00 0.00 C ATOM 0 H ILE A 64 -9.133 3.227 3.811 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.961 0.540 3.495 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.819 2.652 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.939 1.257 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.867 0.254 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.395 3.895 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.124 4.110 4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.134 3.012 5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.695 0.831 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.013 1.544 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.071 2.563 2.440 1.00 0.00 H new ATOM 944 N HIS A 65 -6.933 0.548 5.945 1.00 0.00 N ATOM 945 CA HIS A 65 -6.776 0.314 7.377 1.00 0.00 C ATOM 946 C HIS A 65 -5.636 -0.664 7.645 1.00 0.00 C ATOM 947 O HIS A 65 -5.272 -1.478 6.797 1.00 0.00 O ATOM 948 CB HIS A 65 -8.077 -0.224 7.973 1.00 0.00 C ATOM 949 CG HIS A 65 -8.862 0.805 8.725 1.00 0.00 C ATOM 950 ND1 HIS A 65 -8.659 2.135 8.880 1.00 0.00 N flip ATOM 951 CD2 HIS A 65 -10.009 0.509 9.432 1.00 0.00 C flip ATOM 952 CE1 HIS A 65 -9.677 2.613 9.669 1.00 0.00 C flip ATOM 953 NE2 HIS A 65 -10.478 1.612 9.988 1.00 0.00 N flip ATOM 0 H HIS A 65 -6.278 0.031 5.359 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.535 1.265 7.852 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.696 -0.626 7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.845 -1.053 8.642 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.454 -0.471 9.518 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.802 3.640 9.978 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.316 1.679 10.565 1.00 0.00 H new ATOM 962 N PRO A 66 -5.059 -0.583 8.853 1.00 0.00 N ATOM 963 CA PRO A 66 -3.952 -1.453 9.261 1.00 0.00 C ATOM 964 C PRO A 66 -4.394 -2.899 9.461 1.00 0.00 C ATOM 965 O PRO A 66 -5.008 -3.236 10.473 1.00 0.00 O ATOM 966 CB PRO A 66 -3.494 -0.846 10.590 1.00 0.00 C ATOM 967 CG PRO A 66 -4.696 -0.141 11.118 1.00 0.00 C ATOM 968 CD PRO A 66 -5.442 0.364 9.914 1.00 0.00 C ATOM 0 HA PRO A 66 -3.169 -1.497 8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.152 -1.617 11.280 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.662 -0.156 10.445 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.317 -0.816 11.707 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.410 0.682 11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.519 0.366 10.081 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.156 1.385 9.663 1.00 0.00 H new ATOM 976 N GLY A 67 -4.078 -3.750 8.490 1.00 0.00 N ATOM 977 CA GLY A 67 -4.451 -5.149 8.579 1.00 0.00 C ATOM 978 C GLY A 67 -4.999 -5.688 7.272 1.00 0.00 C ATOM 979 O GLY A 67 -5.108 -6.900 7.090 1.00 0.00 O ATOM 0 H GLY A 67 -3.570 -3.495 7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.581 -5.736 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.199 -5.273 9.362 1.00 0.00 H new ATOM 983 N ASP A 68 -5.347 -4.785 6.362 1.00 0.00 N ATOM 984 CA ASP A 68 -5.888 -5.176 5.066 1.00 0.00 C ATOM 985 C ASP A 68 -4.820 -5.851 4.212 1.00 0.00 C ATOM 986 O ASP A 68 -3.630 -5.785 4.522 1.00 0.00 O ATOM 987 CB ASP A 68 -6.447 -3.955 4.333 1.00 0.00 C ATOM 988 CG ASP A 68 -7.940 -3.790 4.537 1.00 0.00 C ATOM 989 OD1 ASP A 68 -8.711 -4.543 3.906 1.00 0.00 O ATOM 990 OD2 ASP A 68 -8.338 -2.908 5.327 1.00 0.00 O ATOM 0 H ASP A 68 -5.264 -3.778 6.498 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.695 -5.889 5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.934 -3.059 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.237 -4.047 3.267 1.00 0.00 H new ATOM 995 N ARG A 69 -5.253 -6.502 3.137 1.00 0.00 N ATOM 996 CA ARG A 69 -4.334 -7.192 2.240 1.00 0.00 C ATOM 997 C ARG A 69 -4.479 -6.677 0.811 1.00 0.00 C ATOM 998 O ARG A 69 -5.411 -7.051 0.098 1.00 0.00 O ATOM 999 CB ARG A 69 -4.586 -8.700 2.278 1.00 0.00 C ATOM 1000 CG ARG A 69 -5.909 -9.112 1.654 1.00 0.00 C ATOM 1001 CD ARG A 69 -6.561 -10.247 2.429 1.00 0.00 C ATOM 1002 NE ARG A 69 -5.829 -11.502 2.280 1.00 0.00 N ATOM 1003 CZ ARG A 69 -6.302 -12.680 2.673 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -7.499 -12.762 3.237 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -5.576 -13.778 2.504 1.00 0.00 N ATOM 0 H ARG A 69 -6.234 -6.566 2.866 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.317 -6.992 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.774 -9.209 1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.562 -9.038 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.582 -8.255 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.745 -9.422 0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.614 -9.981 3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.586 -10.381 2.082 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.904 -11.473 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.059 -11.920 3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.860 -13.667 3.538 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.654 -13.718 2.072 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.940 -14.682 2.806 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.553 -5.817 0.400 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.578 -5.252 -0.943 1.00 0.00 C ATOM 1021 C ILE A 70 -3.349 -6.330 -1.997 1.00 0.00 C ATOM 1022 O ILE A 70 -2.605 -7.285 -1.773 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.514 -4.152 -1.111 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.849 -2.949 -0.226 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -2.412 -3.731 -2.570 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -1.698 -2.503 0.648 1.00 0.00 C ATOM 0 H ILE A 70 -2.776 -5.496 0.978 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.566 -4.814 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.548 -4.551 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.157 -2.117 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.700 -3.200 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.656 -2.953 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.132 -4.591 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.375 -3.347 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.007 -1.647 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.403 -3.320 1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.853 -2.220 0.020 1.00 0.00 H new ATOM 1038 N LEU A 71 -3.992 -6.170 -3.149 1.00 0.00 N ATOM 1039 CA LEU A 71 -3.858 -7.128 -4.240 1.00 0.00 C ATOM 1040 C LEU A 71 -3.073 -6.525 -5.401 1.00 0.00 C ATOM 1041 O LEU A 71 -2.385 -7.236 -6.132 1.00 0.00 O ATOM 1042 CB LEU A 71 -5.238 -7.579 -4.722 1.00 0.00 C ATOM 1043 CG LEU A 71 -6.287 -7.809 -3.633 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -5.709 -8.649 -2.505 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -6.803 -6.481 -3.101 1.00 0.00 C ATOM 0 H LEU A 71 -4.611 -5.385 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.310 -7.993 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.621 -6.830 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.119 -8.504 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.125 -8.352 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.469 -8.802 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.389 -9.614 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.854 -8.133 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.548 -6.664 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.975 -5.911 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.256 -5.915 -3.915 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.181 -5.210 -5.561 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.480 -4.512 -6.633 1.00 0.00 C ATOM 1059 C GLU A 72 -2.263 -3.044 -6.275 1.00 0.00 C ATOM 1060 O GLU A 72 -2.924 -2.507 -5.385 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.267 -4.618 -7.941 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.465 -6.047 -8.417 1.00 0.00 C ATOM 1063 CD GLU A 72 -3.856 -6.125 -9.880 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -2.948 -6.187 -10.735 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -5.071 -6.125 -10.170 1.00 0.00 O ATOM 0 H GLU A 72 -3.746 -4.607 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.506 -4.984 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.242 -4.150 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.746 -4.055 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.544 -6.609 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.237 -6.524 -7.813 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.333 -2.402 -6.973 1.00 0.00 N ATOM 1073 CA ILE A 73 -1.029 -0.998 -6.730 1.00 0.00 C ATOM 1074 C ILE A 73 -0.787 -0.253 -8.039 1.00 0.00 C ATOM 1075 O ILE A 73 0.147 -0.563 -8.777 1.00 0.00 O ATOM 1076 CB ILE A 73 0.207 -0.838 -5.825 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.008 -1.600 -4.514 1.00 0.00 C ATOM 1078 CG2 ILE A 73 0.476 0.635 -5.552 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.198 -1.523 -3.583 1.00 0.00 C ATOM 0 H ILE A 73 -0.777 -2.832 -7.712 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.896 -0.570 -6.226 1.00 0.00 H new ATOM 0 HB ILE A 73 1.072 -1.257 -6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.869 -1.204 -4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.200 -2.646 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.352 0.732 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.656 1.153 -6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.388 1.077 -5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.986 -2.086 -2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.073 -1.946 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.393 -0.482 -3.328 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.634 0.732 -8.318 1.00 0.00 N ATOM 1092 CA ASN A 74 -1.511 1.523 -9.538 1.00 0.00 C ATOM 1093 C ASN A 74 -1.999 0.734 -10.749 1.00 0.00 C ATOM 1094 O ASN A 74 -1.981 1.230 -11.875 1.00 0.00 O ATOM 1095 CB ASN A 74 -0.058 1.954 -9.747 1.00 0.00 C ATOM 1096 CG ASN A 74 0.659 2.222 -8.438 1.00 0.00 C ATOM 1097 OD1 ASN A 74 1.636 1.550 -8.104 1.00 0.00 O ATOM 1098 ND2 ASN A 74 0.177 3.207 -7.690 1.00 0.00 N ATOM 0 H ASN A 74 -2.413 1.002 -7.717 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.134 2.411 -9.430 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.473 1.177 -10.297 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.033 2.853 -10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.618 3.433 -6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.635 3.737 -8.006 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.436 -0.499 -10.509 1.00 0.00 N ATOM 1106 CA GLY A 75 -2.922 -1.337 -11.589 1.00 0.00 C ATOM 1107 C GLY A 75 -1.940 -2.428 -11.965 1.00 0.00 C ATOM 1108 O GLY A 75 -1.790 -2.763 -13.140 1.00 0.00 O ATOM 0 H GLY A 75 -2.462 -0.932 -9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.869 -1.790 -11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.123 -0.717 -12.463 1.00 0.00 H new ATOM 1112 N THR A 76 -1.264 -2.985 -10.963 1.00 0.00 N ATOM 1113 CA THR A 76 -0.288 -4.042 -11.194 1.00 0.00 C ATOM 1114 C THR A 76 -0.282 -5.045 -10.046 1.00 0.00 C ATOM 1115 O THR A 76 -0.598 -4.717 -8.902 1.00 0.00 O ATOM 1116 CB THR A 76 1.131 -3.469 -11.368 1.00 0.00 C ATOM 1117 OG1 THR A 76 1.145 -2.082 -11.012 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.610 -3.635 -12.802 1.00 0.00 C ATOM 0 H THR A 76 -1.376 -2.721 -9.984 1.00 0.00 H new ATOM 0 HA THR A 76 -0.582 -4.548 -12.114 1.00 0.00 H new ATOM 0 HB THR A 76 1.805 -4.019 -10.712 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.791 -1.974 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.614 -3.223 -12.900 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.625 -4.694 -13.060 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.934 -3.107 -13.475 1.00 0.00 H new ATOM 1126 N PRO A 77 0.087 -6.297 -10.355 1.00 0.00 N ATOM 1127 CA PRO A 77 0.144 -7.373 -9.361 1.00 0.00 C ATOM 1128 C PRO A 77 1.281 -7.180 -8.363 1.00 0.00 C ATOM 1129 O PRO A 77 2.426 -6.944 -8.748 1.00 0.00 O ATOM 1130 CB PRO A 77 0.384 -8.625 -10.208 1.00 0.00 C ATOM 1131 CG PRO A 77 1.049 -8.126 -11.444 1.00 0.00 C ATOM 1132 CD PRO A 77 0.477 -6.758 -11.698 1.00 0.00 C ATOM 0 HA PRO A 77 -0.761 -7.418 -8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.013 -9.343 -9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.553 -9.132 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.130 -8.079 -11.314 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.858 -8.791 -12.286 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.211 -6.094 -12.153 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.378 -6.799 -12.373 1.00 0.00 H new ATOM 1140 N VAL A 78 0.957 -7.281 -7.077 1.00 0.00 N ATOM 1141 CA VAL A 78 1.951 -7.119 -6.023 1.00 0.00 C ATOM 1142 C VAL A 78 2.706 -8.420 -5.776 1.00 0.00 C ATOM 1143 O VAL A 78 3.700 -8.444 -5.050 1.00 0.00 O ATOM 1144 CB VAL A 78 1.302 -6.657 -4.706 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.401 -5.455 -4.947 1.00 0.00 C ATOM 1146 CG2 VAL A 78 0.523 -7.797 -4.066 1.00 0.00 C ATOM 0 H VAL A 78 0.014 -7.474 -6.741 1.00 0.00 H new ATOM 0 HA VAL A 78 2.650 -6.355 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 78 2.093 -6.357 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.049 -5.143 -4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.990 -4.635 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.385 -5.725 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.071 -7.452 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.259 -8.131 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.199 -8.626 -3.855 1.00 0.00 H new ATOM 1156 N ARG A 79 2.228 -9.501 -6.384 1.00 0.00 N ATOM 1157 CA ARG A 79 2.857 -10.807 -6.228 1.00 0.00 C ATOM 1158 C ARG A 79 4.047 -10.952 -7.173 1.00 0.00 C ATOM 1159 O ARG A 79 4.978 -11.712 -6.904 1.00 0.00 O ATOM 1160 CB ARG A 79 1.843 -11.921 -6.494 1.00 0.00 C ATOM 1161 CG ARG A 79 1.300 -11.925 -7.914 1.00 0.00 C ATOM 1162 CD ARG A 79 -0.023 -12.668 -8.002 1.00 0.00 C ATOM 1163 NE ARG A 79 -0.090 -13.530 -9.179 1.00 0.00 N ATOM 1164 CZ ARG A 79 -0.880 -14.594 -9.267 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -1.667 -14.925 -8.253 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -0.885 -15.329 -10.372 1.00 0.00 N ATOM 0 H ARG A 79 1.407 -9.498 -6.989 1.00 0.00 H new ATOM 0 HA ARG A 79 3.216 -10.890 -5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.312 -12.884 -6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.012 -11.818 -5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.166 -10.899 -8.256 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.025 -12.391 -8.581 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.161 -13.270 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.841 -11.949 -8.033 1.00 0.00 H new ATOM 0 HE ARG A 79 0.503 -13.302 -9.977 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.667 -14.362 -7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.273 -15.743 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.282 -15.077 -11.155 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.492 -16.146 -10.438 1.00 0.00 H new ATOM 1180 N THR A 80 4.009 -10.219 -8.281 1.00 0.00 N ATOM 1181 CA THR A 80 5.082 -10.268 -9.267 1.00 0.00 C ATOM 1182 C THR A 80 5.984 -9.043 -9.158 1.00 0.00 C ATOM 1183 O THR A 80 7.189 -9.124 -9.401 1.00 0.00 O ATOM 1184 CB THR A 80 4.525 -10.356 -10.700 1.00 0.00 C ATOM 1185 OG1 THR A 80 4.193 -9.047 -11.178 1.00 0.00 O ATOM 1186 CG2 THR A 80 3.292 -11.246 -10.748 1.00 0.00 C ATOM 0 H THR A 80 3.247 -9.584 -8.518 1.00 0.00 H new ATOM 0 HA THR A 80 5.664 -11.165 -9.057 1.00 0.00 H new ATOM 0 HB THR A 80 5.293 -10.792 -11.338 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.994 -9.090 -12.137 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.917 -11.293 -11.770 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.554 -12.249 -10.411 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.521 -10.835 -10.097 1.00 0.00 H new ATOM 1194 N LEU A 81 5.394 -7.911 -8.792 1.00 0.00 N ATOM 1195 CA LEU A 81 6.145 -6.668 -8.651 1.00 0.00 C ATOM 1196 C LEU A 81 7.383 -6.876 -7.785 1.00 0.00 C ATOM 1197 O LEU A 81 7.300 -7.423 -6.686 1.00 0.00 O ATOM 1198 CB LEU A 81 5.259 -5.581 -8.041 1.00 0.00 C ATOM 1199 CG LEU A 81 4.447 -4.743 -9.029 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.402 -3.916 -8.296 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.364 -3.845 -9.847 1.00 0.00 C ATOM 0 H LEU A 81 4.398 -7.828 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 81 6.467 -6.352 -9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.568 -6.053 -7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.891 -4.910 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 81 3.931 -5.419 -9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.834 -3.326 -9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.726 -4.579 -7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.896 -3.249 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.769 -3.256 -10.545 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.908 -3.176 -9.180 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.073 -4.459 -10.403 1.00 0.00 H new ATOM 1213 N ARG A 82 8.531 -6.434 -8.288 1.00 0.00 N ATOM 1214 CA ARG A 82 9.787 -6.570 -7.561 1.00 0.00 C ATOM 1215 C ARG A 82 9.732 -5.818 -6.235 1.00 0.00 C ATOM 1216 O ARG A 82 9.074 -4.784 -6.123 1.00 0.00 O ATOM 1217 CB ARG A 82 10.951 -6.050 -8.407 1.00 0.00 C ATOM 1218 CG ARG A 82 11.131 -6.796 -9.719 1.00 0.00 C ATOM 1219 CD ARG A 82 12.053 -7.995 -9.556 1.00 0.00 C ATOM 1220 NE ARG A 82 11.938 -8.929 -10.672 1.00 0.00 N ATOM 1221 CZ ARG A 82 12.828 -9.882 -10.927 1.00 0.00 C ATOM 1222 NH1 ARG A 82 13.892 -10.025 -10.149 1.00 0.00 N ATOM 1223 NH2 ARG A 82 12.655 -10.694 -11.962 1.00 0.00 N ATOM 0 H ARG A 82 8.617 -5.978 -9.197 1.00 0.00 H new ATOM 0 HA ARG A 82 9.944 -7.628 -7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.791 -4.993 -8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.871 -6.123 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.160 -7.129 -10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.540 -6.120 -10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.084 -7.651 -9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.816 -8.511 -8.626 1.00 0.00 H new ATOM 0 HE ARG A 82 11.131 -8.845 -11.290 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.029 -9.403 -9.353 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.574 -10.757 -10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.838 -10.587 -12.563 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.339 -11.425 -12.157 1.00 0.00 H new ATOM 1237 N VAL A 83 10.428 -6.344 -5.232 1.00 0.00 N ATOM 1238 CA VAL A 83 10.459 -5.722 -3.914 1.00 0.00 C ATOM 1239 C VAL A 83 10.472 -4.201 -4.024 1.00 0.00 C ATOM 1240 O VAL A 83 9.564 -3.527 -3.540 1.00 0.00 O ATOM 1241 CB VAL A 83 11.690 -6.178 -3.107 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.615 -5.657 -1.680 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.805 -7.695 -3.124 1.00 0.00 C ATOM 0 H VAL A 83 10.978 -7.200 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 83 9.555 -6.038 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 83 12.584 -5.763 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.492 -5.989 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.584 -4.568 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.715 -6.041 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.680 -8.000 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.910 -8.133 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.908 -8.041 -4.153 1.00 0.00 H new ATOM 1253 N GLU A 84 11.509 -3.668 -4.663 1.00 0.00 N ATOM 1254 CA GLU A 84 11.639 -2.227 -4.836 1.00 0.00 C ATOM 1255 C GLU A 84 10.419 -1.651 -5.548 1.00 0.00 C ATOM 1256 O GLU A 84 9.992 -0.532 -5.264 1.00 0.00 O ATOM 1257 CB GLU A 84 12.907 -1.898 -5.628 1.00 0.00 C ATOM 1258 CG GLU A 84 13.175 -2.859 -6.774 1.00 0.00 C ATOM 1259 CD GLU A 84 13.252 -2.158 -8.116 1.00 0.00 C ATOM 1260 OE1 GLU A 84 13.656 -0.977 -8.146 1.00 0.00 O ATOM 1261 OE2 GLU A 84 12.907 -2.790 -9.137 1.00 0.00 O ATOM 0 H GLU A 84 12.270 -4.212 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 84 11.708 -1.774 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.825 -0.886 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.761 -1.906 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.111 -3.387 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.386 -3.610 -6.805 1.00 0.00 H new ATOM 1268 N GLU A 85 9.862 -2.425 -6.475 1.00 0.00 N ATOM 1269 CA GLU A 85 8.691 -1.991 -7.229 1.00 0.00 C ATOM 1270 C GLU A 85 7.460 -1.924 -6.330 1.00 0.00 C ATOM 1271 O GLU A 85 6.559 -1.115 -6.552 1.00 0.00 O ATOM 1272 CB GLU A 85 8.431 -2.941 -8.399 1.00 0.00 C ATOM 1273 CG GLU A 85 9.120 -2.523 -9.687 1.00 0.00 C ATOM 1274 CD GLU A 85 8.288 -1.556 -10.508 1.00 0.00 C ATOM 1275 OE1 GLU A 85 7.577 -0.726 -9.903 1.00 0.00 O ATOM 1276 OE2 GLU A 85 8.348 -1.630 -11.753 1.00 0.00 O ATOM 0 H GLU A 85 10.202 -3.354 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 85 8.890 -0.992 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.767 -3.941 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.357 -3.002 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.078 -2.060 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.334 -3.409 -10.284 1.00 0.00 H new ATOM 1283 N VAL A 86 7.429 -2.780 -5.314 1.00 0.00 N ATOM 1284 CA VAL A 86 6.309 -2.818 -4.380 1.00 0.00 C ATOM 1285 C VAL A 86 6.446 -1.738 -3.313 1.00 0.00 C ATOM 1286 O VAL A 86 5.460 -1.331 -2.700 1.00 0.00 O ATOM 1287 CB VAL A 86 6.198 -4.192 -3.693 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.942 -4.262 -2.838 1.00 0.00 C ATOM 1289 CG2 VAL A 86 6.212 -5.308 -4.727 1.00 0.00 C ATOM 0 H VAL A 86 8.166 -3.457 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 86 5.405 -2.637 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 86 7.061 -4.322 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.881 -5.240 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.979 -3.487 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.065 -4.110 -3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.133 -6.272 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.370 -5.184 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.144 -5.269 -5.292 1.00 0.00 H new ATOM 1299 N GLU A 87 7.675 -1.279 -3.098 1.00 0.00 N ATOM 1300 CA GLU A 87 7.940 -0.245 -2.104 1.00 0.00 C ATOM 1301 C GLU A 87 7.849 1.145 -2.727 1.00 0.00 C ATOM 1302 O GLU A 87 7.130 2.013 -2.232 1.00 0.00 O ATOM 1303 CB GLU A 87 9.323 -0.448 -1.481 1.00 0.00 C ATOM 1304 CG GLU A 87 9.471 -1.768 -0.744 1.00 0.00 C ATOM 1305 CD GLU A 87 9.659 -1.584 0.749 1.00 0.00 C ATOM 1306 OE1 GLU A 87 8.654 -1.334 1.447 1.00 0.00 O ATOM 1307 OE2 GLU A 87 10.811 -1.691 1.220 1.00 0.00 O ATOM 0 H GLU A 87 8.502 -1.606 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 87 7.183 -0.324 -1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.077 -0.393 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.524 0.370 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.587 -2.381 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.324 -2.313 -1.149 1.00 0.00 H new ATOM 1314 N ASP A 88 8.584 1.348 -3.815 1.00 0.00 N ATOM 1315 CA ASP A 88 8.588 2.632 -4.506 1.00 0.00 C ATOM 1316 C ASP A 88 7.163 3.120 -4.752 1.00 0.00 C ATOM 1317 O ASP A 88 6.918 4.322 -4.853 1.00 0.00 O ATOM 1318 CB ASP A 88 9.337 2.518 -5.835 1.00 0.00 C ATOM 1319 CG ASP A 88 10.678 3.224 -5.806 1.00 0.00 C ATOM 1320 OD1 ASP A 88 11.472 2.952 -4.880 1.00 0.00 O ATOM 1321 OD2 ASP A 88 10.935 4.047 -6.709 1.00 0.00 O ATOM 0 H ASP A 88 9.185 0.640 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 88 9.098 3.357 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.489 1.465 -6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.724 2.940 -6.631 1.00 0.00 H new ATOM 1326 N ALA A 89 6.229 2.180 -4.847 1.00 0.00 N ATOM 1327 CA ALA A 89 4.829 2.515 -5.080 1.00 0.00 C ATOM 1328 C ALA A 89 4.194 3.116 -3.831 1.00 0.00 C ATOM 1329 O ALA A 89 3.345 4.003 -3.920 1.00 0.00 O ATOM 1330 CB ALA A 89 4.059 1.281 -5.525 1.00 0.00 C ATOM 0 H ALA A 89 6.416 1.181 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 89 4.786 3.262 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.015 1.545 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.491 0.896 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.118 0.516 -4.750 1.00 0.00 H new ATOM 1336 N ILE A 90 4.609 2.626 -2.667 1.00 0.00 N ATOM 1337 CA ILE A 90 4.080 3.116 -1.400 1.00 0.00 C ATOM 1338 C ILE A 90 4.779 4.402 -0.973 1.00 0.00 C ATOM 1339 O ILE A 90 4.146 5.324 -0.457 1.00 0.00 O ATOM 1340 CB ILE A 90 4.233 2.066 -0.283 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.139 0.654 -0.864 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.174 2.275 0.788 1.00 0.00 C ATOM 1343 CD1 ILE A 90 2.917 0.436 -1.729 1.00 0.00 C ATOM 0 H ILE A 90 5.310 1.890 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 90 3.020 3.317 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 90 5.215 2.185 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.033 0.453 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.128 -0.067 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.295 1.526 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.284 3.270 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.183 2.179 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.916 -0.587 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.017 0.605 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.936 1.132 -2.567 1.00 0.00 H new ATOM 1355 N LYS A 91 6.088 4.459 -1.193 1.00 0.00 N ATOM 1356 CA LYS A 91 6.874 5.633 -0.834 1.00 0.00 C ATOM 1357 C LYS A 91 6.545 6.809 -1.749 1.00 0.00 C ATOM 1358 O LYS A 91 6.799 7.963 -1.406 1.00 0.00 O ATOM 1359 CB LYS A 91 8.369 5.315 -0.912 1.00 0.00 C ATOM 1360 CG LYS A 91 9.140 6.240 -1.839 1.00 0.00 C ATOM 1361 CD LYS A 91 10.628 5.935 -1.819 1.00 0.00 C ATOM 1362 CE LYS A 91 10.940 4.634 -2.543 1.00 0.00 C ATOM 1363 NZ LYS A 91 12.368 4.241 -2.387 1.00 0.00 N ATOM 0 H LYS A 91 6.627 3.705 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 91 6.621 5.910 0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.798 5.377 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.496 4.287 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.760 6.137 -2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.976 7.275 -1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.175 6.753 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.973 5.870 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.301 3.841 -2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.707 4.743 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.647 3.624 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.964 5.093 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.492 3.731 -1.489 1.00 0.00 H new ATOM 1377 N GLN A 92 5.978 6.506 -2.912 1.00 0.00 N ATOM 1378 CA GLN A 92 5.614 7.539 -3.875 1.00 0.00 C ATOM 1379 C GLN A 92 4.740 8.607 -3.224 1.00 0.00 C ATOM 1380 O GLN A 92 3.535 8.421 -3.056 1.00 0.00 O ATOM 1381 CB GLN A 92 4.880 6.920 -5.066 1.00 0.00 C ATOM 1382 CG GLN A 92 5.792 6.590 -6.237 1.00 0.00 C ATOM 1383 CD GLN A 92 5.850 7.703 -7.264 1.00 0.00 C ATOM 1384 OE1 GLN A 92 5.101 8.678 -7.183 1.00 0.00 O ATOM 1385 NE2 GLN A 92 6.741 7.565 -8.238 1.00 0.00 N ATOM 0 H GLN A 92 5.761 5.555 -3.210 1.00 0.00 H new ATOM 0 HA GLN A 92 6.531 8.011 -4.227 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.378 6.009 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 92 4.105 7.609 -5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.797 6.392 -5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.444 5.676 -6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.342 6.741 -8.267 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.825 8.283 -8.958 1.00 0.00 H new ATOM 1394 N THR A 93 5.357 9.727 -2.859 1.00 0.00 N ATOM 1395 CA THR A 93 4.636 10.823 -2.225 1.00 0.00 C ATOM 1396 C THR A 93 4.744 12.101 -3.050 1.00 0.00 C ATOM 1397 O THR A 93 4.800 13.202 -2.502 1.00 0.00 O ATOM 1398 CB THR A 93 5.166 11.097 -0.804 1.00 0.00 C ATOM 1399 OG1 THR A 93 6.434 11.759 -0.873 1.00 0.00 O ATOM 1400 CG2 THR A 93 5.306 9.801 -0.021 1.00 0.00 C ATOM 0 H THR A 93 6.354 9.898 -2.992 1.00 0.00 H new ATOM 0 HA THR A 93 3.591 10.520 -2.163 1.00 0.00 H new ATOM 0 HB THR A 93 4.450 11.738 -0.290 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.763 11.931 0.034 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.682 10.019 0.979 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.333 9.315 0.055 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.004 9.139 -0.534 1.00 0.00 H new ATOM 1408 N SER A 94 4.771 11.947 -4.370 1.00 0.00 N ATOM 1409 CA SER A 94 4.875 13.089 -5.270 1.00 0.00 C ATOM 1410 C SER A 94 3.687 13.137 -6.226 1.00 0.00 C ATOM 1411 O SER A 94 3.355 14.191 -6.767 1.00 0.00 O ATOM 1412 CB SER A 94 6.181 13.023 -6.064 1.00 0.00 C ATOM 1413 OG SER A 94 7.270 12.676 -5.226 1.00 0.00 O ATOM 0 H SER A 94 4.722 11.043 -4.840 1.00 0.00 H new ATOM 0 HA SER A 94 4.871 13.997 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.087 12.290 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.373 13.987 -6.535 1.00 0.00 H new ATOM 0 HG SER A 94 8.093 12.639 -5.757 1.00 0.00 H new ATOM 1419 N GLN A 95 3.053 11.987 -6.429 1.00 0.00 N ATOM 1420 CA GLN A 95 1.902 11.897 -7.320 1.00 0.00 C ATOM 1421 C GLN A 95 0.802 11.039 -6.704 1.00 0.00 C ATOM 1422 O GLN A 95 0.923 10.575 -5.570 1.00 0.00 O ATOM 1423 CB GLN A 95 2.322 11.316 -8.672 1.00 0.00 C ATOM 1424 CG GLN A 95 3.426 12.104 -9.357 1.00 0.00 C ATOM 1425 CD GLN A 95 3.380 11.982 -10.867 1.00 0.00 C ATOM 1426 OE1 GLN A 95 4.387 11.684 -11.508 1.00 0.00 O ATOM 1427 NE2 GLN A 95 2.206 12.213 -11.444 1.00 0.00 N ATOM 0 H GLN A 95 3.316 11.105 -5.989 1.00 0.00 H new ATOM 0 HA GLN A 95 1.511 12.903 -7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.656 10.288 -8.528 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.452 11.280 -9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.344 13.155 -9.079 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.394 11.754 -8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.397 12.457 -10.873 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.114 12.146 -12.458 1.00 0.00 H new ATOM 1436 N THR A 96 -0.273 10.832 -7.458 1.00 0.00 N ATOM 1437 CA THR A 96 -1.396 10.032 -6.986 1.00 0.00 C ATOM 1438 C THR A 96 -1.000 8.568 -6.829 1.00 0.00 C ATOM 1439 O THR A 96 -0.233 8.032 -7.630 1.00 0.00 O ATOM 1440 CB THR A 96 -2.597 10.127 -7.946 1.00 0.00 C ATOM 1441 OG1 THR A 96 -2.574 11.382 -8.636 1.00 0.00 O ATOM 1442 CG2 THR A 96 -3.908 9.983 -7.188 1.00 0.00 C ATOM 0 H THR A 96 -0.389 11.208 -8.399 1.00 0.00 H new ATOM 0 HA THR A 96 -1.684 10.434 -6.015 1.00 0.00 H new ATOM 0 HB THR A 96 -2.522 9.314 -8.668 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.340 11.434 -9.246 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.742 10.053 -7.887 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.935 9.015 -6.688 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.988 10.777 -6.446 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.527 7.926 -5.793 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.230 6.522 -5.531 1.00 0.00 C ATOM 1452 C LEU A 97 -2.513 5.715 -5.364 1.00 0.00 C ATOM 1453 O LEU A 97 -3.258 5.908 -4.404 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.364 6.389 -4.277 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.640 5.170 -3.397 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.481 3.886 -4.197 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.284 5.164 -2.188 1.00 0.00 C ATOM 0 H LEU A 97 -2.162 8.355 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.683 6.127 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.682 6.362 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.496 7.286 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.669 5.228 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.681 3.029 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.184 3.887 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.537 3.821 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.073 4.289 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.321 5.131 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.121 6.068 -1.601 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.763 4.810 -6.305 1.00 0.00 N ATOM 1470 CA GLN A 98 -3.956 3.973 -6.261 1.00 0.00 C ATOM 1471 C GLN A 98 -3.665 2.646 -5.568 1.00 0.00 C ATOM 1472 O GLN A 98 -2.696 1.961 -5.898 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.480 3.719 -7.676 1.00 0.00 C ATOM 1474 CG GLN A 98 -5.913 4.181 -7.886 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.506 3.669 -9.184 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -6.150 2.591 -9.660 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -7.417 4.442 -9.764 1.00 0.00 N ATOM 0 H GLN A 98 -2.156 4.638 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.718 4.501 -5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.834 4.229 -8.391 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.415 2.653 -7.893 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.526 3.841 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.944 5.271 -7.881 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.682 5.328 -9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.851 4.149 -10.639 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.508 2.288 -4.606 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.341 1.043 -3.866 1.00 0.00 C ATOM 1488 C LEU A 99 -5.572 0.154 -4.009 1.00 0.00 C ATOM 1489 O LEU A 99 -6.705 0.636 -3.984 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.080 1.336 -2.387 1.00 0.00 C ATOM 1491 CG LEU A 99 -2.832 2.164 -2.078 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -2.915 2.752 -0.677 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.578 1.316 -2.229 1.00 0.00 C ATOM 0 H LEU A 99 -5.315 2.843 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.483 0.515 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.947 1.857 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.002 0.387 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.779 2.986 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.018 3.338 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.793 3.394 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.994 1.945 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.700 1.922 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.623 0.474 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.511 0.944 -3.251 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.343 -1.146 -4.158 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.434 -2.104 -4.303 1.00 0.00 C ATOM 1507 C LEU A 100 -6.665 -2.868 -3.004 1.00 0.00 C ATOM 1508 O LEU A 100 -5.726 -3.400 -2.410 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.131 -3.084 -5.438 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.289 -3.391 -6.387 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -7.097 -2.673 -7.714 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.417 -4.892 -6.605 1.00 0.00 C ATOM 0 H LEU A 100 -4.412 -1.561 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.341 -1.550 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.303 -2.685 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.788 -4.021 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.211 -3.030 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.931 -2.904 -8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.056 -1.597 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.166 -3.003 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.247 -5.092 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.494 -5.277 -7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.603 -5.384 -5.650 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.919 -2.920 -2.568 1.00 0.00 N ATOM 1525 CA ILE A 101 -8.273 -3.622 -1.341 1.00 0.00 C ATOM 1526 C ILE A 101 -9.164 -4.825 -1.633 1.00 0.00 C ATOM 1527 O ILE A 101 -9.809 -4.891 -2.679 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.994 -2.692 -0.348 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -8.597 -1.236 -0.599 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -8.674 -3.095 1.083 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -7.102 -1.027 -0.702 1.00 0.00 C ATOM 0 H ILE A 101 -8.707 -2.484 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.340 -3.964 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.069 -2.787 -0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.068 -0.893 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.988 -0.617 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.191 -2.428 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -9.002 -4.120 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.599 -3.026 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.894 0.028 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.626 -1.339 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.708 -1.619 -1.528 1.00 0.00 H new ATOM 1543 N GLU A 102 -9.196 -5.771 -0.701 1.00 0.00 N ATOM 1544 CA GLU A 102 -10.009 -6.971 -0.859 1.00 0.00 C ATOM 1545 C GLU A 102 -10.849 -7.227 0.390 1.00 0.00 C ATOM 1546 O GLU A 102 -10.321 -7.325 1.498 1.00 0.00 O ATOM 1547 CB GLU A 102 -9.121 -8.183 -1.146 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.887 -9.491 -1.241 1.00 0.00 C ATOM 1549 CD GLU A 102 -9.046 -10.690 -0.847 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -8.034 -10.499 -0.141 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -9.401 -11.819 -1.245 1.00 0.00 O ATOM 0 H GLU A 102 -8.669 -5.730 0.171 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.681 -6.814 -1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.585 -8.017 -2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.371 -8.267 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.765 -9.441 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.247 -9.624 -2.261 1.00 0.00 H new ATOM 1558 N HIS A 103 -12.161 -7.335 0.202 1.00 0.00 N ATOM 1559 CA HIS A 103 -13.074 -7.579 1.312 1.00 0.00 C ATOM 1560 C HIS A 103 -13.635 -8.997 1.251 1.00 0.00 C ATOM 1561 O HIS A 103 -14.633 -9.252 0.576 1.00 0.00 O ATOM 1562 CB HIS A 103 -14.218 -6.564 1.292 1.00 0.00 C ATOM 1563 CG HIS A 103 -13.780 -5.162 1.584 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -12.555 -4.857 2.140 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -14.410 -3.980 1.392 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -12.452 -3.547 2.279 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -13.564 -2.992 1.832 1.00 0.00 N ATOM 0 H HIS A 103 -12.615 -7.257 -0.708 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.516 -7.467 2.241 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -14.698 -6.590 0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -14.969 -6.861 2.024 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -15.395 -3.840 0.971 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.603 -3.020 2.688 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -13.762 -1.992 1.816 1.00 0.00 H new