USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 739 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 33 THR OG1 : rot -65:sc= 0.954 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.837 USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0.27 USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 20 SER OG : rot -170:sc= 0 USER MOD Set 3.2: A 37 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.42) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot -27:sc= 0.351 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00345 USER MOD Single : A 47 SER OG : rot 180:sc=-0.00504 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -122:sc= 1.8 USER MOD Single : A 56 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.314 USER MOD Single : A 60 ASN : amide:sc= 0.896 K(o=0.9,f=-1.3) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0827 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.7!) USER MOD Single : A 83 THR OG1 : rot 75:sc= 0.0385 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0177 USER MOD Single : A 88 MET CE :methyl -177:sc= 0 (180deg=-0.0168) USER MOD Single : A 93 ASN : amide:sc= -0.0877 K(o=-0.088,f=-7!) USER MOD Single : A 95 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.7!) USER MOD Single : A 98 SER OG : rot 73:sc= 1.77 USER MOD Single : A 101 SER OG : rot -78:sc= 1.82 USER MOD Single : A 103 MET CE :methyl -173:sc= -5.37 (180deg=-5.47) USER MOD Single : A 104 SER OG : rot -61:sc= 0.362 USER MOD Single : A 109 THR OG1 : rot -148:sc= 1.53 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 15 9.229 -0.654 -1.472 1.00 0.00 N ATOM 178 CA LEU A 15 7.859 -0.328 -1.870 1.00 0.00 C ATOM 179 C LEU A 15 7.372 0.967 -1.215 1.00 0.00 C ATOM 180 O LEU A 15 7.773 1.274 -0.093 1.00 0.00 O ATOM 181 CB LEU A 15 6.936 -1.503 -1.495 1.00 0.00 C ATOM 182 CG LEU A 15 7.048 -2.681 -2.481 1.00 0.00 C ATOM 183 CD1 LEU A 15 6.445 -3.948 -1.875 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.325 -2.366 -3.790 1.00 0.00 C ATOM 0 HA LEU A 15 7.837 -0.169 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.184 -1.849 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.904 -1.155 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 15 8.107 -2.841 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.533 -4.769 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.978 -4.202 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.393 -3.777 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.418 -3.213 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.271 -2.178 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.770 -1.482 -4.248 1.00 0.00 H new ATOM 196 N PRO A 16 6.528 1.751 -1.912 1.00 0.00 N ATOM 197 CA PRO A 16 6.185 3.111 -1.510 1.00 0.00 C ATOM 198 C PRO A 16 5.464 3.136 -0.167 1.00 0.00 C ATOM 199 O PRO A 16 4.816 2.156 0.220 1.00 0.00 O ATOM 200 CB PRO A 16 5.308 3.690 -2.625 1.00 0.00 C ATOM 201 CG PRO A 16 4.903 2.495 -3.482 1.00 0.00 C ATOM 202 CD PRO A 16 5.927 1.412 -3.186 1.00 0.00 C ATOM 0 HA PRO A 16 7.086 3.709 -1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.433 4.194 -2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.855 4.428 -3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.896 2.160 -3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.902 2.755 -4.541 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.453 0.431 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.682 1.367 -3.971 1.00 0.00 H new ATOM 210 N GLY A 17 5.538 4.284 0.503 1.00 0.00 N ATOM 211 CA GLY A 17 4.922 4.464 1.800 1.00 0.00 C ATOM 212 C GLY A 17 3.401 4.337 1.724 1.00 0.00 C ATOM 213 O GLY A 17 2.802 4.662 0.690 1.00 0.00 O ATOM 0 H GLY A 17 6.027 5.109 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.315 3.723 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.186 5.445 2.196 1.00 0.00 H new ATOM 217 N PRO A 18 2.746 3.915 2.815 1.00 0.00 N ATOM 218 CA PRO A 18 1.305 3.800 2.854 1.00 0.00 C ATOM 219 C PRO A 18 0.687 5.199 2.782 1.00 0.00 C ATOM 220 O PRO A 18 1.191 6.120 3.440 1.00 0.00 O ATOM 221 CB PRO A 18 0.963 3.109 4.175 1.00 0.00 C ATOM 222 CG PRO A 18 2.192 3.320 5.061 1.00 0.00 C ATOM 223 CD PRO A 18 3.343 3.573 4.089 1.00 0.00 C ATOM 0 HA PRO A 18 0.913 3.225 2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.071 3.542 4.628 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.762 2.048 4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.052 4.165 5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.385 2.445 5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.981 4.381 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.972 2.688 3.996 1.00 0.00 H new ATOM 231 N PRO A 19 -0.429 5.364 2.053 1.00 0.00 N ATOM 232 CA PRO A 19 -1.279 6.526 2.232 1.00 0.00 C ATOM 233 C PRO A 19 -1.909 6.480 3.633 1.00 0.00 C ATOM 234 O PRO A 19 -2.085 5.405 4.214 1.00 0.00 O ATOM 235 CB PRO A 19 -2.311 6.455 1.104 1.00 0.00 C ATOM 236 CG PRO A 19 -2.335 4.994 0.654 1.00 0.00 C ATOM 237 CD PRO A 19 -1.075 4.355 1.230 1.00 0.00 C ATOM 0 HA PRO A 19 -0.741 7.473 2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.294 6.773 1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.036 7.114 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.230 4.489 1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.347 4.921 -0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.325 3.475 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.410 4.024 0.432 1.00 0.00 H new ATOM 245 N SER A 20 -2.249 7.647 4.178 1.00 0.00 N ATOM 246 CA SER A 20 -2.819 7.781 5.520 1.00 0.00 C ATOM 247 C SER A 20 -4.283 7.315 5.540 1.00 0.00 C ATOM 248 O SER A 20 -4.812 6.914 4.501 1.00 0.00 O ATOM 249 CB SER A 20 -2.649 9.237 5.958 1.00 0.00 C ATOM 250 OG SER A 20 -1.267 9.546 6.064 1.00 0.00 O ATOM 0 H SER A 20 -2.135 8.538 3.695 1.00 0.00 H new ATOM 0 HA SER A 20 -2.298 7.140 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.126 9.902 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.142 9.399 6.916 1.00 0.00 H new ATOM 0 HG SER A 20 -1.159 10.421 6.493 1.00 0.00 H new ATOM 256 N LYS A 21 -4.933 7.337 6.719 1.00 0.00 N ATOM 257 CA LYS A 21 -6.325 6.887 6.883 1.00 0.00 C ATOM 258 C LYS A 21 -7.173 7.508 5.773 1.00 0.00 C ATOM 259 O LYS A 21 -7.213 8.742 5.711 1.00 0.00 O ATOM 260 CB LYS A 21 -6.921 7.286 8.250 1.00 0.00 C ATOM 261 CG LYS A 21 -8.148 6.444 8.635 1.00 0.00 C ATOM 262 CD LYS A 21 -8.875 7.071 9.837 1.00 0.00 C ATOM 263 CE LYS A 21 -10.065 6.240 10.344 1.00 0.00 C ATOM 264 NZ LYS A 21 -10.636 6.813 11.588 1.00 0.00 N ATOM 0 H LYS A 21 -4.506 7.668 7.584 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.330 5.798 6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.157 7.178 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.202 8.339 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.829 6.374 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.837 5.428 8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.163 7.204 10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.229 8.063 9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.835 6.198 9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.743 5.215 10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.437 6.229 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.907 6.830 12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.966 7.782 11.404 1.00 0.00 H new ATOM 278 N PRO A 22 -7.830 6.707 4.918 1.00 0.00 N ATOM 279 CA PRO A 22 -8.820 7.248 4.022 1.00 0.00 C ATOM 280 C PRO A 22 -9.957 7.808 4.863 1.00 0.00 C ATOM 281 O PRO A 22 -10.408 7.162 5.815 1.00 0.00 O ATOM 282 CB PRO A 22 -9.316 6.106 3.135 1.00 0.00 C ATOM 283 CG PRO A 22 -8.713 4.828 3.727 1.00 0.00 C ATOM 284 CD PRO A 22 -7.816 5.258 4.883 1.00 0.00 C ATOM 0 HA PRO A 22 -8.415 8.043 3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.405 6.059 3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.998 6.247 2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.497 4.156 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.140 4.286 2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.178 4.847 5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.801 4.886 4.742 1.00 0.00 H new ATOM 292 N GLN A 23 -10.444 8.976 4.479 1.00 0.00 N ATOM 293 CA GLN A 23 -11.543 9.675 5.108 1.00 0.00 C ATOM 294 C GLN A 23 -12.640 9.858 4.101 1.00 0.00 C ATOM 295 O GLN A 23 -12.447 10.419 3.026 1.00 0.00 O ATOM 296 CB GLN A 23 -11.098 11.012 5.678 1.00 0.00 C ATOM 297 CG GLN A 23 -10.000 10.725 6.699 1.00 0.00 C ATOM 298 CD GLN A 23 -9.905 11.736 7.831 1.00 0.00 C ATOM 299 OE1 GLN A 23 -8.866 12.342 8.073 1.00 0.00 O ATOM 300 NE2 GLN A 23 -10.933 11.860 8.644 1.00 0.00 N ATOM 0 H GLN A 23 -10.062 9.484 3.681 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.911 9.082 5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.727 11.663 4.887 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.935 11.528 6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.169 9.737 7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.042 10.689 6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.800 11.359 8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.862 12.457 9.468 1.00 0.00 H new ATOM 309 N VAL A 24 -13.784 9.315 4.450 1.00 0.00 N ATOM 310 CA VAL A 24 -14.989 9.486 3.719 1.00 0.00 C ATOM 311 C VAL A 24 -15.400 10.949 3.815 1.00 0.00 C ATOM 312 O VAL A 24 -15.156 11.614 4.827 1.00 0.00 O ATOM 313 CB VAL A 24 -16.032 8.491 4.240 1.00 0.00 C ATOM 314 CG1 VAL A 24 -15.490 7.164 4.786 1.00 0.00 C ATOM 315 CG2 VAL A 24 -17.124 9.059 5.161 1.00 0.00 C ATOM 0 H VAL A 24 -13.890 8.727 5.277 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.872 9.265 2.658 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.527 8.256 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -16.320 6.544 5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -14.945 6.643 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.820 7.361 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.799 8.258 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.662 9.496 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -17.686 9.827 4.629 1.00 0.00 H new ATOM 325 N THR A 25 -16.052 11.428 2.771 1.00 0.00 N ATOM 326 CA THR A 25 -16.595 12.770 2.698 1.00 0.00 C ATOM 327 C THR A 25 -18.050 12.626 2.261 1.00 0.00 C ATOM 328 O THR A 25 -18.910 12.358 3.108 1.00 0.00 O ATOM 329 CB THR A 25 -15.693 13.666 1.821 1.00 0.00 C ATOM 330 OG1 THR A 25 -15.363 13.028 0.599 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.373 14.017 2.522 1.00 0.00 C ATOM 0 H THR A 25 -16.222 10.879 1.929 1.00 0.00 H new ATOM 0 HA THR A 25 -16.601 13.293 3.654 1.00 0.00 H new ATOM 0 HB THR A 25 -16.269 14.573 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.388 12.056 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.771 14.648 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.584 14.551 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.826 13.101 2.747 1.00 0.00 H new ATOM 339 N ASP A 26 -18.317 12.717 0.959 1.00 0.00 N ATOM 340 CA ASP A 26 -19.616 12.443 0.374 1.00 0.00 C ATOM 341 C ASP A 26 -19.941 10.968 0.523 1.00 0.00 C ATOM 342 O ASP A 26 -19.055 10.126 0.380 1.00 0.00 O ATOM 343 CB ASP A 26 -19.636 12.833 -1.107 1.00 0.00 C ATOM 344 CG ASP A 26 -21.011 12.619 -1.734 1.00 0.00 C ATOM 345 OD1 ASP A 26 -22.002 13.187 -1.221 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.094 11.855 -2.721 1.00 0.00 O ATOM 0 H ASP A 26 -17.615 12.990 0.271 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.366 13.036 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.349 13.879 -1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.895 12.244 -1.647 1.00 0.00 H new ATOM 351 N VAL A 27 -21.205 10.649 0.761 1.00 0.00 N ATOM 352 CA VAL A 27 -21.729 9.296 0.662 1.00 0.00 C ATOM 353 C VAL A 27 -23.128 9.366 0.069 1.00 0.00 C ATOM 354 O VAL A 27 -23.896 10.269 0.405 1.00 0.00 O ATOM 355 CB VAL A 27 -21.658 8.573 2.024 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.469 9.221 3.151 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.152 7.126 1.919 1.00 0.00 C ATOM 0 H VAL A 27 -21.907 11.337 1.033 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.117 8.690 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.600 8.635 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.353 8.638 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.110 10.236 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.522 9.251 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.088 6.648 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.188 7.119 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.532 6.581 1.207 1.00 0.00 H new ATOM 367 N THR A 28 -23.457 8.400 -0.785 1.00 0.00 N ATOM 368 CA THR A 28 -24.763 8.264 -1.415 1.00 0.00 C ATOM 369 C THR A 28 -25.267 6.835 -1.188 1.00 0.00 C ATOM 370 O THR A 28 -24.710 6.077 -0.384 1.00 0.00 O ATOM 371 CB THR A 28 -24.699 8.679 -2.902 1.00 0.00 C ATOM 372 OG1 THR A 28 -23.993 7.717 -3.667 1.00 0.00 O ATOM 373 CG2 THR A 28 -24.054 10.050 -3.127 1.00 0.00 C ATOM 0 H THR A 28 -22.802 7.670 -1.064 1.00 0.00 H new ATOM 0 HA THR A 28 -25.486 8.942 -0.962 1.00 0.00 H new ATOM 0 HB THR A 28 -25.737 8.741 -3.228 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.967 8.000 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 28 -24.043 10.276 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.627 10.813 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 28 -23.032 10.038 -2.748 1.00 0.00 H new ATOM 381 N LYS A 29 -26.345 6.445 -1.875 1.00 0.00 N ATOM 382 CA LYS A 29 -26.911 5.103 -1.777 1.00 0.00 C ATOM 383 C LYS A 29 -25.932 4.019 -2.228 1.00 0.00 C ATOM 384 O LYS A 29 -26.063 2.876 -1.811 1.00 0.00 O ATOM 385 CB LYS A 29 -28.257 5.068 -2.526 1.00 0.00 C ATOM 386 CG LYS A 29 -28.199 4.857 -4.051 1.00 0.00 C ATOM 387 CD LYS A 29 -29.395 5.530 -4.745 1.00 0.00 C ATOM 388 CE LYS A 29 -29.554 5.108 -6.211 1.00 0.00 C ATOM 389 NZ LYS A 29 -30.509 5.979 -6.936 1.00 0.00 N ATOM 0 H LYS A 29 -26.849 7.057 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 29 -27.102 4.871 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.864 4.272 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.778 6.006 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.268 5.267 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.197 3.790 -4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.308 5.286 -4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.275 6.612 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -28.583 5.142 -6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.899 4.075 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -30.589 5.661 -7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -31.442 5.927 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -30.168 6.961 -6.915 1.00 0.00 H new ATOM 403 N ASN A 30 -24.945 4.329 -3.067 1.00 0.00 N ATOM 404 CA ASN A 30 -23.997 3.318 -3.539 1.00 0.00 C ATOM 405 C ASN A 30 -22.652 3.895 -3.960 1.00 0.00 C ATOM 406 O ASN A 30 -21.831 3.154 -4.509 1.00 0.00 O ATOM 407 CB ASN A 30 -24.612 2.430 -4.635 1.00 0.00 C ATOM 408 CG ASN A 30 -25.460 3.161 -5.660 1.00 0.00 C ATOM 409 OD1 ASN A 30 -25.186 4.291 -6.055 1.00 0.00 O ATOM 410 ND2 ASN A 30 -26.562 2.538 -6.034 1.00 0.00 N ATOM 0 H ASN A 30 -24.780 5.267 -3.433 1.00 0.00 H new ATOM 0 HA ASN A 30 -23.785 2.683 -2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -23.806 1.913 -5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -25.225 1.665 -4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -27.216 2.995 -6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -26.760 1.599 -5.687 1.00 0.00 H new ATOM 417 N SER A 31 -22.382 5.168 -3.665 1.00 0.00 N ATOM 418 CA SER A 31 -21.042 5.724 -3.753 1.00 0.00 C ATOM 419 C SER A 31 -20.586 6.257 -2.399 1.00 0.00 C ATOM 420 O SER A 31 -21.414 6.504 -1.521 1.00 0.00 O ATOM 421 CB SER A 31 -20.988 6.869 -4.763 1.00 0.00 C ATOM 422 OG SER A 31 -21.784 6.656 -5.917 1.00 0.00 O ATOM 0 H SER A 31 -23.089 5.837 -3.359 1.00 0.00 H new ATOM 0 HA SER A 31 -20.382 4.919 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.313 7.787 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.953 7.021 -5.070 1.00 0.00 H new ATOM 0 HG SER A 31 -21.703 7.427 -6.517 1.00 0.00 H new ATOM 428 N VAL A 32 -19.284 6.498 -2.262 1.00 0.00 N ATOM 429 CA VAL A 32 -18.697 7.278 -1.184 1.00 0.00 C ATOM 430 C VAL A 32 -17.387 7.870 -1.703 1.00 0.00 C ATOM 431 O VAL A 32 -16.620 7.184 -2.381 1.00 0.00 O ATOM 432 CB VAL A 32 -18.570 6.419 0.094 1.00 0.00 C ATOM 433 CG1 VAL A 32 -17.891 5.066 -0.096 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.850 7.107 1.249 1.00 0.00 C ATOM 0 H VAL A 32 -18.590 6.143 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.331 8.112 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.621 6.268 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -17.851 4.542 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.458 4.472 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -16.878 5.216 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.806 6.432 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.838 7.370 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.391 8.011 1.528 1.00 0.00 H new ATOM 444 N THR A 33 -17.158 9.155 -1.448 1.00 0.00 N ATOM 445 CA THR A 33 -15.942 9.854 -1.814 1.00 0.00 C ATOM 446 C THR A 33 -14.941 9.696 -0.679 1.00 0.00 C ATOM 447 O THR A 33 -15.169 10.163 0.438 1.00 0.00 O ATOM 448 CB THR A 33 -16.270 11.310 -2.149 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.178 11.293 -3.236 1.00 0.00 O ATOM 450 CG2 THR A 33 -15.007 12.083 -2.549 1.00 0.00 C ATOM 0 H THR A 33 -17.834 9.749 -0.968 1.00 0.00 H new ATOM 0 HA THR A 33 -15.487 9.433 -2.711 1.00 0.00 H new ATOM 0 HB THR A 33 -16.697 11.805 -1.277 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.735 10.920 -4.026 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.270 13.115 -2.782 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.294 12.067 -1.724 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.557 11.617 -3.426 1.00 0.00 H new ATOM 458 N LEU A 34 -13.851 8.997 -0.967 1.00 0.00 N ATOM 459 CA LEU A 34 -12.704 8.822 -0.103 1.00 0.00 C ATOM 460 C LEU A 34 -11.678 9.883 -0.443 1.00 0.00 C ATOM 461 O LEU A 34 -11.409 10.128 -1.617 1.00 0.00 O ATOM 462 CB LEU A 34 -12.088 7.452 -0.369 1.00 0.00 C ATOM 463 CG LEU A 34 -12.951 6.292 0.135 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.248 5.009 -0.275 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.104 6.330 1.653 1.00 0.00 C ATOM 0 H LEU A 34 -13.743 8.513 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.006 8.902 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.926 7.336 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.110 7.402 0.109 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.951 6.359 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.829 4.151 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.154 4.977 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.256 4.977 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.722 5.493 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.122 6.258 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.578 7.266 1.948 1.00 0.00 H new ATOM 477 N SER A 35 -11.077 10.441 0.595 1.00 0.00 N ATOM 478 CA SER A 35 -9.936 11.328 0.582 1.00 0.00 C ATOM 479 C SER A 35 -8.827 10.639 1.338 1.00 0.00 C ATOM 480 O SER A 35 -9.077 10.003 2.356 1.00 0.00 O ATOM 481 CB SER A 35 -10.351 12.623 1.275 1.00 0.00 C ATOM 482 OG SER A 35 -9.288 13.486 1.608 1.00 0.00 O ATOM 0 H SER A 35 -11.406 10.268 1.545 1.00 0.00 H new ATOM 0 HA SER A 35 -9.595 11.560 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.045 13.158 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.895 12.372 2.186 1.00 0.00 H new ATOM 0 HG SER A 35 -9.643 14.288 2.045 1.00 0.00 H new ATOM 488 N TRP A 36 -7.606 10.718 0.840 1.00 0.00 N ATOM 489 CA TRP A 36 -6.418 10.353 1.603 1.00 0.00 C ATOM 490 C TRP A 36 -5.295 11.343 1.327 1.00 0.00 C ATOM 491 O TRP A 36 -5.392 12.174 0.417 1.00 0.00 O ATOM 492 CB TRP A 36 -6.031 8.891 1.350 1.00 0.00 C ATOM 493 CG TRP A 36 -5.770 8.507 -0.075 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.565 8.446 -0.686 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.745 8.121 -1.084 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.722 8.021 -1.990 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.050 7.802 -2.284 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.148 7.975 -1.095 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.717 7.387 -3.442 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -8.830 7.547 -2.247 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.115 7.270 -3.425 1.00 0.00 C ATOM 0 H TRP A 36 -7.406 11.038 -0.108 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.633 10.418 2.670 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.137 8.669 1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.829 8.255 1.734 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.621 8.693 -0.223 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.955 7.887 -2.649 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.710 8.197 -0.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.161 7.159 -4.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.904 7.431 -2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.642 6.967 -4.318 1.00 0.00 H new ATOM 512 N GLN A 37 -4.212 11.243 2.096 1.00 0.00 N ATOM 513 CA GLN A 37 -2.957 11.911 1.793 1.00 0.00 C ATOM 514 C GLN A 37 -2.037 10.912 1.063 1.00 0.00 C ATOM 515 O GLN A 37 -2.060 9.720 1.385 1.00 0.00 O ATOM 516 CB GLN A 37 -2.384 12.601 3.042 1.00 0.00 C ATOM 517 CG GLN A 37 -1.462 11.703 3.844 1.00 0.00 C ATOM 518 CD GLN A 37 -0.007 11.665 3.394 1.00 0.00 C ATOM 519 OE1 GLN A 37 0.607 10.604 3.378 1.00 0.00 O ATOM 520 NE2 GLN A 37 0.595 12.792 3.040 1.00 0.00 N ATOM 0 H GLN A 37 -4.185 10.690 2.953 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.091 12.743 1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.839 13.495 2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.206 12.930 3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.491 12.024 4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.858 10.688 3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.080 13.672 3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.574 12.779 2.753 1.00 0.00 H new ATOM 529 N PRO A 38 -1.264 11.376 0.074 1.00 0.00 N ATOM 530 CA PRO A 38 -0.359 10.562 -0.725 1.00 0.00 C ATOM 531 C PRO A 38 0.882 10.221 0.097 1.00 0.00 C ATOM 532 O PRO A 38 1.533 11.132 0.619 1.00 0.00 O ATOM 533 CB PRO A 38 -0.004 11.434 -1.938 1.00 0.00 C ATOM 534 CG PRO A 38 -0.201 12.871 -1.448 1.00 0.00 C ATOM 535 CD PRO A 38 -1.257 12.756 -0.362 1.00 0.00 C ATOM 0 HA PRO A 38 -0.801 9.616 -1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.022 11.263 -2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.649 11.213 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.727 13.289 -1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.530 13.525 -2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.029 13.423 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.236 13.045 -0.744 1.00 0.00 H new ATOM 543 N GLY A 39 1.256 8.942 0.183 1.00 0.00 N ATOM 544 CA GLY A 39 2.528 8.557 0.748 1.00 0.00 C ATOM 545 C GLY A 39 3.628 8.883 -0.254 1.00 0.00 C ATOM 546 O GLY A 39 3.391 9.184 -1.433 1.00 0.00 O ATOM 0 H GLY A 39 0.684 8.160 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.701 9.087 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.532 7.492 0.979 1.00 0.00 H new ATOM 550 N THR A 40 4.852 8.813 0.231 1.00 0.00 N ATOM 551 CA THR A 40 6.034 9.287 -0.447 1.00 0.00 C ATOM 552 C THR A 40 6.574 8.199 -1.397 1.00 0.00 C ATOM 553 O THR A 40 6.266 7.008 -1.239 1.00 0.00 O ATOM 554 CB THR A 40 6.999 9.811 0.641 1.00 0.00 C ATOM 555 OG1 THR A 40 6.664 11.170 0.862 1.00 0.00 O ATOM 556 CG2 THR A 40 8.510 9.710 0.418 1.00 0.00 C ATOM 0 H THR A 40 5.054 8.408 1.145 1.00 0.00 H new ATOM 0 HA THR A 40 5.847 10.125 -1.119 1.00 0.00 H new ATOM 0 HB THR A 40 6.845 9.137 1.484 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.253 11.544 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.033 10.124 1.280 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.790 8.664 0.292 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.784 10.270 -0.476 1.00 0.00 H new ATOM 564 N PRO A 41 7.305 8.626 -2.441 1.00 0.00 N ATOM 565 CA PRO A 41 8.069 7.766 -3.342 1.00 0.00 C ATOM 566 C PRO A 41 9.273 7.148 -2.599 1.00 0.00 C ATOM 567 O PRO A 41 9.257 7.018 -1.372 1.00 0.00 O ATOM 568 CB PRO A 41 8.432 8.669 -4.537 1.00 0.00 C ATOM 569 CG PRO A 41 8.330 10.100 -4.021 1.00 0.00 C ATOM 570 CD PRO A 41 7.314 10.013 -2.890 1.00 0.00 C ATOM 0 HA PRO A 41 7.517 6.898 -3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.438 8.454 -4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.751 8.505 -5.372 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.293 10.465 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.999 10.784 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.585 10.682 -2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.325 10.315 -3.234 1.00 0.00 H new ATOM 578 N GLY A 42 10.305 6.703 -3.313 1.00 0.00 N ATOM 579 CA GLY A 42 11.522 6.206 -2.694 1.00 0.00 C ATOM 580 C GLY A 42 12.411 5.579 -3.751 1.00 0.00 C ATOM 581 O GLY A 42 12.910 6.263 -4.652 1.00 0.00 O ATOM 0 H GLY A 42 10.317 6.679 -4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.049 7.021 -2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.278 5.471 -1.927 1.00 0.00 H new ATOM 585 N THR A 43 12.588 4.265 -3.673 1.00 0.00 N ATOM 586 CA THR A 43 13.358 3.469 -4.587 1.00 0.00 C ATOM 587 C THR A 43 12.806 3.611 -6.006 1.00 0.00 C ATOM 588 O THR A 43 13.566 3.890 -6.934 1.00 0.00 O ATOM 589 CB THR A 43 13.319 2.032 -4.050 1.00 0.00 C ATOM 590 OG1 THR A 43 12.030 1.445 -4.106 1.00 0.00 O ATOM 591 CG2 THR A 43 13.932 1.939 -2.649 1.00 0.00 C ATOM 0 H THR A 43 12.171 3.709 -2.927 1.00 0.00 H new ATOM 0 HA THR A 43 14.396 3.794 -4.653 1.00 0.00 H new ATOM 0 HB THR A 43 13.939 1.440 -4.723 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.071 0.532 -3.753 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.887 0.907 -2.300 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.971 2.266 -2.684 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.374 2.578 -1.965 1.00 0.00 H new ATOM 599 N LEU A 44 11.490 3.462 -6.170 1.00 0.00 N ATOM 600 CA LEU A 44 10.797 3.502 -7.449 1.00 0.00 C ATOM 601 C LEU A 44 9.462 4.237 -7.317 1.00 0.00 C ATOM 602 O LEU A 44 8.798 4.138 -6.277 1.00 0.00 O ATOM 603 CB LEU A 44 10.537 2.076 -7.938 1.00 0.00 C ATOM 604 CG LEU A 44 11.790 1.374 -8.479 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.523 -0.120 -8.555 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.148 1.870 -9.875 1.00 0.00 C ATOM 0 H LEU A 44 10.859 3.305 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 44 11.425 4.033 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.127 1.488 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.779 2.102 -8.721 1.00 0.00 H new ATOM 0 HG LEU A 44 12.620 1.593 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.408 -0.629 -8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.289 -0.499 -7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.680 -0.306 -9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.040 1.352 -10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.320 1.671 -10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.340 2.942 -9.842 1.00 0.00 H new ATOM 618 N PRO A 45 9.031 4.922 -8.385 1.00 0.00 N ATOM 619 CA PRO A 45 7.949 5.886 -8.344 1.00 0.00 C ATOM 620 C PRO A 45 6.605 5.166 -8.318 1.00 0.00 C ATOM 621 O PRO A 45 6.390 4.161 -9.003 1.00 0.00 O ATOM 622 CB PRO A 45 8.133 6.740 -9.602 1.00 0.00 C ATOM 623 CG PRO A 45 8.713 5.734 -10.592 1.00 0.00 C ATOM 624 CD PRO A 45 9.589 4.841 -9.723 1.00 0.00 C ATOM 0 HA PRO A 45 7.965 6.509 -7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.189 7.158 -9.952 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.808 7.578 -9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.929 5.164 -11.090 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.293 6.228 -11.372 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.584 3.814 -10.088 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.625 5.178 -9.736 1.00 0.00 H new ATOM 632 N ALA A 46 5.693 5.720 -7.530 1.00 0.00 N ATOM 633 CA ALA A 46 4.337 5.246 -7.347 1.00 0.00 C ATOM 634 C ALA A 46 3.594 5.370 -8.673 1.00 0.00 C ATOM 635 O ALA A 46 3.299 6.463 -9.151 1.00 0.00 O ATOM 636 CB ALA A 46 3.672 6.042 -6.223 1.00 0.00 C ATOM 0 H ALA A 46 5.894 6.553 -6.976 1.00 0.00 H new ATOM 0 HA ALA A 46 4.321 4.197 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.651 5.688 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.234 5.906 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.657 7.100 -6.486 1.00 0.00 H new ATOM 642 N SER A 47 3.323 4.222 -9.269 1.00 0.00 N ATOM 643 CA SER A 47 2.570 4.022 -10.482 1.00 0.00 C ATOM 644 C SER A 47 1.138 4.531 -10.322 1.00 0.00 C ATOM 645 O SER A 47 0.725 5.421 -11.074 1.00 0.00 O ATOM 646 CB SER A 47 2.641 2.522 -10.777 1.00 0.00 C ATOM 647 OG SER A 47 3.901 2.121 -11.276 1.00 0.00 O ATOM 0 H SER A 47 3.653 3.338 -8.881 1.00 0.00 H new ATOM 0 HA SER A 47 2.979 4.587 -11.319 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.423 1.966 -9.865 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.869 2.262 -11.501 1.00 0.00 H new ATOM 0 HG SER A 47 3.893 1.156 -11.446 1.00 0.00 H new ATOM 653 N ALA A 48 0.353 3.956 -9.408 1.00 0.00 N ATOM 654 CA ALA A 48 -1.040 4.339 -9.210 1.00 0.00 C ATOM 655 C ALA A 48 -1.420 4.005 -7.771 1.00 0.00 C ATOM 656 O ALA A 48 -0.550 3.727 -6.940 1.00 0.00 O ATOM 657 CB ALA A 48 -1.939 3.625 -10.238 1.00 0.00 C ATOM 0 H ALA A 48 0.669 3.212 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.179 5.408 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.977 3.919 -10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.632 3.904 -11.246 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.845 2.546 -10.116 1.00 0.00 H new ATOM 663 N TYR A 49 -2.709 4.025 -7.470 1.00 0.00 N ATOM 664 CA TYR A 49 -3.294 3.463 -6.274 1.00 0.00 C ATOM 665 C TYR A 49 -4.339 2.415 -6.685 1.00 0.00 C ATOM 666 O TYR A 49 -4.810 2.378 -7.828 1.00 0.00 O ATOM 667 CB TYR A 49 -3.925 4.573 -5.415 1.00 0.00 C ATOM 668 CG TYR A 49 -3.004 5.651 -4.868 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.278 5.433 -3.681 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.917 6.899 -5.511 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.413 6.424 -3.183 1.00 0.00 C ATOM 672 CE2 TYR A 49 -2.062 7.899 -5.014 1.00 0.00 C ATOM 673 CZ TYR A 49 -1.274 7.648 -3.871 1.00 0.00 C ATOM 674 OH TYR A 49 -0.361 8.563 -3.452 1.00 0.00 O ATOM 0 H TYR A 49 -3.402 4.454 -8.083 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.524 2.982 -5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.696 5.061 -6.011 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.426 4.100 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.386 4.499 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.511 7.091 -6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.856 6.248 -2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.009 8.858 -5.507 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.394 9.349 -4.036 1.00 0.00 H new ATOM 684 N ILE A 50 -4.718 1.581 -5.724 1.00 0.00 N ATOM 685 CA ILE A 50 -5.904 0.734 -5.704 1.00 0.00 C ATOM 686 C ILE A 50 -6.794 1.219 -4.545 1.00 0.00 C ATOM 687 O ILE A 50 -6.308 1.896 -3.632 1.00 0.00 O ATOM 688 CB ILE A 50 -5.458 -0.759 -5.618 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.440 -1.382 -7.021 1.00 0.00 C ATOM 690 CG2 ILE A 50 -6.334 -1.629 -4.722 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.895 -2.812 -7.083 1.00 0.00 C ATOM 0 H ILE A 50 -4.163 1.471 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.501 0.803 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.464 -0.736 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.455 -1.378 -7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.839 -0.751 -7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.952 -2.650 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.320 -1.235 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.357 -1.625 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.922 -3.167 -8.113 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.867 -2.826 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.508 -3.462 -6.459 1.00 0.00 H new ATOM 703 N ILE A 51 -8.073 0.836 -4.549 1.00 0.00 N ATOM 704 CA ILE A 51 -8.951 0.852 -3.387 1.00 0.00 C ATOM 705 C ILE A 51 -9.511 -0.560 -3.280 1.00 0.00 C ATOM 706 O ILE A 51 -10.024 -1.111 -4.258 1.00 0.00 O ATOM 707 CB ILE A 51 -10.073 1.909 -3.498 1.00 0.00 C ATOM 708 CG1 ILE A 51 -9.460 3.293 -3.755 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.928 1.966 -2.220 1.00 0.00 C ATOM 710 CD1 ILE A 51 -10.461 4.411 -4.007 1.00 0.00 C ATOM 0 H ILE A 51 -8.537 0.496 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.400 1.137 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.717 1.621 -4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.845 3.565 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.794 3.223 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.706 2.721 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.389 0.993 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.296 2.225 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.927 5.346 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.061 4.171 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.113 4.518 -3.140 1.00 0.00 H new ATOM 722 N GLU A 52 -9.421 -1.135 -2.089 1.00 0.00 N ATOM 723 CA GLU A 52 -10.057 -2.393 -1.744 1.00 0.00 C ATOM 724 C GLU A 52 -11.131 -2.056 -0.719 1.00 0.00 C ATOM 725 O GLU A 52 -10.975 -1.086 0.016 1.00 0.00 O ATOM 726 CB GLU A 52 -9.024 -3.416 -1.229 1.00 0.00 C ATOM 727 CG GLU A 52 -7.992 -3.679 -2.329 1.00 0.00 C ATOM 728 CD GLU A 52 -6.921 -4.727 -2.032 1.00 0.00 C ATOM 729 OE1 GLU A 52 -6.882 -5.282 -0.913 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.056 -4.959 -2.910 1.00 0.00 O ATOM 0 H GLU A 52 -8.890 -0.728 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.511 -2.872 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.532 -3.036 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.521 -4.345 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.525 -3.984 -3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.492 -2.738 -2.558 1.00 0.00 H new ATOM 737 N ALA A 53 -12.210 -2.827 -0.660 1.00 0.00 N ATOM 738 CA ALA A 53 -13.288 -2.709 0.310 1.00 0.00 C ATOM 739 C ALA A 53 -13.500 -4.075 0.921 1.00 0.00 C ATOM 740 O ALA A 53 -13.170 -5.082 0.299 1.00 0.00 O ATOM 741 CB ALA A 53 -14.587 -2.273 -0.381 1.00 0.00 C ATOM 0 H ALA A 53 -12.363 -3.589 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.028 -1.967 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.383 -2.190 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.437 -1.307 -0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.866 -3.013 -1.132 1.00 0.00 H new ATOM 747 N PHE A 54 -14.134 -4.119 2.081 1.00 0.00 N ATOM 748 CA PHE A 54 -14.589 -5.353 2.692 1.00 0.00 C ATOM 749 C PHE A 54 -16.018 -5.122 3.154 1.00 0.00 C ATOM 750 O PHE A 54 -16.360 -4.014 3.571 1.00 0.00 O ATOM 751 CB PHE A 54 -13.636 -5.736 3.834 1.00 0.00 C ATOM 752 CG PHE A 54 -14.145 -6.822 4.760 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.154 -6.531 5.700 1.00 0.00 C ATOM 754 CD2 PHE A 54 -13.597 -8.116 4.705 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.649 -7.531 6.545 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.066 -9.108 5.581 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.107 -8.825 6.484 1.00 0.00 C ATOM 0 H PHE A 54 -14.349 -3.287 2.630 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.582 -6.191 1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.690 -6.062 3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.426 -4.845 4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.549 -5.528 5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.819 -8.346 3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.444 -7.308 7.241 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.625 -10.094 5.561 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.489 -9.602 7.130 1.00 0.00 H new ATOM 767 N SER A 55 -16.836 -6.170 3.126 1.00 0.00 N ATOM 768 CA SER A 55 -18.185 -6.148 3.661 1.00 0.00 C ATOM 769 C SER A 55 -18.583 -7.573 4.042 1.00 0.00 C ATOM 770 O SER A 55 -18.618 -8.479 3.197 1.00 0.00 O ATOM 771 CB SER A 55 -19.157 -5.519 2.654 1.00 0.00 C ATOM 772 OG SER A 55 -18.710 -5.576 1.309 1.00 0.00 O ATOM 0 H SER A 55 -16.572 -7.070 2.724 1.00 0.00 H new ATOM 0 HA SER A 55 -18.226 -5.527 4.556 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.119 -6.026 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.323 -4.477 2.927 1.00 0.00 H new ATOM 0 HG SER A 55 -18.653 -4.668 0.945 1.00 0.00 H new ATOM 778 N GLN A 56 -18.845 -7.810 5.330 1.00 0.00 N ATOM 779 CA GLN A 56 -19.236 -9.127 5.799 1.00 0.00 C ATOM 780 C GLN A 56 -20.682 -9.458 5.434 1.00 0.00 C ATOM 781 O GLN A 56 -21.021 -10.628 5.277 1.00 0.00 O ATOM 782 CB GLN A 56 -19.002 -9.219 7.310 1.00 0.00 C ATOM 783 CG GLN A 56 -19.118 -10.666 7.789 1.00 0.00 C ATOM 784 CD GLN A 56 -18.353 -10.950 9.074 1.00 0.00 C ATOM 785 OE1 GLN A 56 -17.615 -10.113 9.592 1.00 0.00 O ATOM 786 NE2 GLN A 56 -18.452 -12.166 9.577 1.00 0.00 N ATOM 0 H GLN A 56 -18.791 -7.101 6.062 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.617 -9.871 5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.014 -8.828 7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -19.729 -8.598 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -20.170 -10.905 7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -18.752 -11.329 7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -19.067 -12.851 9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.913 -12.421 10.405 1.00 0.00 H new ATOM 795 N SER A 57 -21.543 -8.457 5.269 1.00 0.00 N ATOM 796 CA SER A 57 -22.903 -8.617 4.764 1.00 0.00 C ATOM 797 C SER A 57 -22.924 -8.712 3.233 1.00 0.00 C ATOM 798 O SER A 57 -23.964 -8.498 2.614 1.00 0.00 O ATOM 799 CB SER A 57 -23.747 -7.444 5.251 1.00 0.00 C ATOM 800 OG SER A 57 -23.766 -7.381 6.668 1.00 0.00 O ATOM 0 H SER A 57 -21.308 -7.489 5.488 1.00 0.00 H new ATOM 0 HA SER A 57 -23.319 -9.550 5.144 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.348 -6.513 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 57 -24.765 -7.544 4.875 1.00 0.00 H new ATOM 0 HG SER A 57 -24.312 -6.619 6.954 1.00 0.00 H new ATOM 806 N VAL A 58 -21.779 -8.989 2.610 1.00 0.00 N ATOM 807 CA VAL A 58 -21.649 -9.192 1.181 1.00 0.00 C ATOM 808 C VAL A 58 -20.915 -10.517 1.016 1.00 0.00 C ATOM 809 O VAL A 58 -21.558 -11.495 0.630 1.00 0.00 O ATOM 810 CB VAL A 58 -20.993 -7.957 0.532 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.722 -8.127 -0.964 1.00 0.00 C ATOM 812 CG2 VAL A 58 -21.886 -6.713 0.703 1.00 0.00 C ATOM 0 H VAL A 58 -20.893 -9.080 3.108 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.598 -9.275 0.651 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.039 -7.836 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.260 -7.221 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.051 -8.972 -1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.662 -8.310 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.405 -5.853 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.851 -6.890 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -22.035 -6.515 1.764 1.00 0.00 H new ATOM 822 N SER A 59 -19.609 -10.588 1.319 1.00 0.00 N ATOM 823 CA SER A 59 -18.837 -11.811 1.069 1.00 0.00 C ATOM 824 C SER A 59 -17.642 -12.061 1.995 1.00 0.00 C ATOM 825 O SER A 59 -16.969 -13.070 1.804 1.00 0.00 O ATOM 826 CB SER A 59 -18.401 -11.861 -0.405 1.00 0.00 C ATOM 827 OG SER A 59 -19.509 -11.667 -1.271 1.00 0.00 O ATOM 0 H SER A 59 -19.074 -9.824 1.731 1.00 0.00 H new ATOM 0 HA SER A 59 -19.523 -12.625 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.650 -11.093 -0.592 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.933 -12.822 -0.617 1.00 0.00 H new ATOM 0 HG SER A 59 -19.206 -11.701 -2.202 1.00 0.00 H new ATOM 833 N ASN A 60 -17.365 -11.206 2.991 1.00 0.00 N ATOM 834 CA ASN A 60 -16.190 -11.325 3.873 1.00 0.00 C ATOM 835 C ASN A 60 -14.909 -11.545 3.046 1.00 0.00 C ATOM 836 O ASN A 60 -14.146 -12.484 3.280 1.00 0.00 O ATOM 837 CB ASN A 60 -16.420 -12.406 4.957 1.00 0.00 C ATOM 838 CG ASN A 60 -15.470 -12.325 6.160 1.00 0.00 C ATOM 839 OD1 ASN A 60 -15.893 -12.041 7.277 1.00 0.00 O ATOM 840 ND2 ASN A 60 -14.188 -12.590 6.007 1.00 0.00 N ATOM 0 H ASN A 60 -17.955 -10.404 3.210 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.049 -10.387 4.410 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -17.446 -12.327 5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -16.318 -13.389 4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.561 -12.558 6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.823 -12.827 5.085 1.00 0.00 H new ATOM 847 N SER A 61 -14.693 -10.693 2.047 1.00 0.00 N ATOM 848 CA SER A 61 -13.492 -10.669 1.219 1.00 0.00 C ATOM 849 C SER A 61 -13.046 -9.220 1.061 1.00 0.00 C ATOM 850 O SER A 61 -13.899 -8.333 0.977 1.00 0.00 O ATOM 851 CB SER A 61 -13.808 -11.260 -0.158 1.00 0.00 C ATOM 852 OG SER A 61 -14.291 -12.591 -0.054 1.00 0.00 O ATOM 0 H SER A 61 -15.371 -9.978 1.784 1.00 0.00 H new ATOM 0 HA SER A 61 -12.702 -11.257 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.551 -10.640 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.911 -11.245 -0.776 1.00 0.00 H new ATOM 0 HG SER A 61 -14.485 -12.939 -0.949 1.00 0.00 H new ATOM 858 N TRP A 62 -11.736 -8.986 0.976 1.00 0.00 N ATOM 859 CA TRP A 62 -11.190 -7.752 0.434 1.00 0.00 C ATOM 860 C TRP A 62 -11.393 -7.778 -1.078 1.00 0.00 C ATOM 861 O TRP A 62 -10.771 -8.573 -1.777 1.00 0.00 O ATOM 862 CB TRP A 62 -9.720 -7.568 0.835 1.00 0.00 C ATOM 863 CG TRP A 62 -9.569 -7.058 2.236 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.211 -7.786 3.318 1.00 0.00 C ATOM 865 CD2 TRP A 62 -9.917 -5.734 2.741 1.00 0.00 C ATOM 866 NE1 TRP A 62 -9.326 -7.007 4.454 1.00 0.00 N ATOM 867 CE2 TRP A 62 -9.801 -5.748 4.163 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.376 -4.542 2.139 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.179 -4.651 4.953 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -10.791 -3.448 2.924 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.728 -3.530 4.327 1.00 0.00 C ATOM 0 H TRP A 62 -11.026 -9.651 1.283 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.710 -6.888 0.848 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.198 -8.520 0.740 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.242 -6.873 0.145 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.886 -8.816 3.298 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.088 -7.326 5.393 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.409 -4.468 1.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.048 -4.674 6.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.156 -2.549 2.450 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.109 -2.717 4.927 1.00 0.00 H new ATOM 882 N GLN A 63 -12.303 -6.948 -1.573 1.00 0.00 N ATOM 883 CA GLN A 63 -12.676 -6.802 -2.972 1.00 0.00 C ATOM 884 C GLN A 63 -11.965 -5.581 -3.523 1.00 0.00 C ATOM 885 O GLN A 63 -11.991 -4.531 -2.890 1.00 0.00 O ATOM 886 CB GLN A 63 -14.190 -6.575 -3.043 1.00 0.00 C ATOM 887 CG GLN A 63 -14.952 -7.876 -2.745 1.00 0.00 C ATOM 888 CD GLN A 63 -15.505 -8.576 -3.984 1.00 0.00 C ATOM 889 OE1 GLN A 63 -15.761 -7.959 -5.017 1.00 0.00 O ATOM 890 NE2 GLN A 63 -15.746 -9.869 -3.901 1.00 0.00 N ATOM 0 H GLN A 63 -12.833 -6.320 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.403 -7.688 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.481 -5.806 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.461 -6.208 -4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.286 -8.562 -2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.777 -7.654 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.531 -10.374 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.147 -10.365 -4.697 1.00 0.00 H new ATOM 899 N THR A 64 -11.374 -5.689 -4.709 1.00 0.00 N ATOM 900 CA THR A 64 -10.738 -4.544 -5.361 1.00 0.00 C ATOM 901 C THR A 64 -11.838 -3.688 -5.997 1.00 0.00 C ATOM 902 O THR A 64 -12.286 -3.965 -7.108 1.00 0.00 O ATOM 903 CB THR A 64 -9.688 -5.016 -6.379 1.00 0.00 C ATOM 904 OG1 THR A 64 -8.865 -6.028 -5.833 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.742 -3.883 -6.807 1.00 0.00 C ATOM 0 H THR A 64 -11.321 -6.558 -5.241 1.00 0.00 H new ATOM 0 HA THR A 64 -10.199 -3.934 -4.636 1.00 0.00 H new ATOM 0 HB THR A 64 -10.259 -5.381 -7.233 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.207 -6.311 -6.502 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.018 -4.266 -7.527 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.320 -3.080 -7.265 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.216 -3.498 -5.933 1.00 0.00 H new ATOM 913 N VAL A 65 -12.306 -2.660 -5.286 1.00 0.00 N ATOM 914 CA VAL A 65 -13.417 -1.828 -5.736 1.00 0.00 C ATOM 915 C VAL A 65 -12.966 -0.693 -6.660 1.00 0.00 C ATOM 916 O VAL A 65 -13.816 -0.135 -7.354 1.00 0.00 O ATOM 917 CB VAL A 65 -14.237 -1.308 -4.541 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.938 -2.471 -3.822 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.398 -0.490 -3.546 1.00 0.00 C ATOM 0 H VAL A 65 -11.923 -2.383 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.070 -2.462 -6.336 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.987 -0.630 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.513 -2.085 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.608 -2.978 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.191 -3.177 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.033 -0.152 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.595 -1.112 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.971 0.374 -4.055 1.00 0.00 H new ATOM 929 N ALA A 66 -11.676 -0.354 -6.721 1.00 0.00 N ATOM 930 CA ALA A 66 -11.115 0.467 -7.786 1.00 0.00 C ATOM 931 C ALA A 66 -9.658 0.076 -7.983 1.00 0.00 C ATOM 932 O ALA A 66 -8.990 -0.305 -7.020 1.00 0.00 O ATOM 933 CB ALA A 66 -11.218 1.956 -7.439 1.00 0.00 C ATOM 0 H ALA A 66 -10.990 -0.646 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.676 0.299 -8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.793 2.549 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.265 2.226 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.669 2.154 -6.518 1.00 0.00 H new ATOM 939 N ASN A 67 -9.135 0.208 -9.202 1.00 0.00 N ATOM 940 CA ASN A 67 -7.716 0.019 -9.466 1.00 0.00 C ATOM 941 C ASN A 67 -7.216 1.002 -10.506 1.00 0.00 C ATOM 942 O ASN A 67 -8.004 1.592 -11.243 1.00 0.00 O ATOM 943 CB ASN A 67 -7.385 -1.442 -9.827 1.00 0.00 C ATOM 944 CG ASN A 67 -7.736 -1.888 -11.236 1.00 0.00 C ATOM 945 OD1 ASN A 67 -8.731 -1.477 -11.830 1.00 0.00 O ATOM 946 ND2 ASN A 67 -6.933 -2.764 -11.799 1.00 0.00 N ATOM 0 H ASN A 67 -9.683 0.448 -10.028 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.178 0.231 -8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.317 -1.597 -9.676 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.904 -2.093 -9.124 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.133 -3.109 -12.738 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.110 -3.098 -11.297 1.00 0.00 H new ATOM 953 N HIS A 68 -5.891 1.165 -10.537 1.00 0.00 N ATOM 954 CA HIS A 68 -5.192 2.189 -11.323 1.00 0.00 C ATOM 955 C HIS A 68 -5.842 3.576 -11.142 1.00 0.00 C ATOM 956 O HIS A 68 -6.234 4.247 -12.101 1.00 0.00 O ATOM 957 CB HIS A 68 -5.071 1.788 -12.806 1.00 0.00 C ATOM 958 CG HIS A 68 -4.052 0.719 -13.106 1.00 0.00 C ATOM 959 ND1 HIS A 68 -2.941 0.880 -13.904 1.00 0.00 N ATOM 960 CD2 HIS A 68 -4.094 -0.590 -12.716 1.00 0.00 C ATOM 961 CE1 HIS A 68 -2.331 -0.312 -14.009 1.00 0.00 C ATOM 962 NE2 HIS A 68 -3.007 -1.246 -13.312 1.00 0.00 N ATOM 0 H HIS A 68 -5.256 0.573 -10.002 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.175 2.262 -10.938 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.046 1.444 -13.152 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.822 2.677 -13.386 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.831 -1.038 -12.066 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.428 -0.496 -14.572 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.774 -2.236 -13.233 1.00 0.00 H new ATOM 970 N VAL A 69 -5.966 4.025 -9.898 1.00 0.00 N ATOM 971 CA VAL A 69 -6.447 5.356 -9.549 1.00 0.00 C ATOM 972 C VAL A 69 -5.218 6.257 -9.442 1.00 0.00 C ATOM 973 O VAL A 69 -4.254 5.895 -8.775 1.00 0.00 O ATOM 974 CB VAL A 69 -7.250 5.257 -8.232 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.729 6.628 -7.739 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.484 4.359 -8.419 1.00 0.00 C ATOM 0 H VAL A 69 -5.729 3.459 -9.084 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.119 5.779 -10.295 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.573 4.832 -7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.288 6.506 -6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.868 7.272 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.372 7.082 -8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.037 4.301 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.126 4.779 -9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.165 3.359 -8.715 1.00 0.00 H new ATOM 986 N LYS A 70 -5.226 7.415 -10.106 1.00 0.00 N ATOM 987 CA LYS A 70 -4.096 8.353 -10.123 1.00 0.00 C ATOM 988 C LYS A 70 -4.425 9.655 -9.387 1.00 0.00 C ATOM 989 O LYS A 70 -3.945 10.726 -9.759 1.00 0.00 O ATOM 990 CB LYS A 70 -3.632 8.624 -11.560 1.00 0.00 C ATOM 991 CG LYS A 70 -3.428 7.366 -12.414 1.00 0.00 C ATOM 992 CD LYS A 70 -4.653 7.039 -13.280 1.00 0.00 C ATOM 993 CE LYS A 70 -4.225 6.028 -14.343 1.00 0.00 C ATOM 994 NZ LYS A 70 -4.656 6.419 -15.698 1.00 0.00 N ATOM 0 H LYS A 70 -6.025 7.733 -10.654 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.272 7.884 -9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.365 9.264 -12.050 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.695 9.180 -11.526 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.559 7.504 -13.057 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.211 6.520 -11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.455 6.630 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.040 7.944 -13.749 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.140 5.924 -14.326 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.642 5.051 -14.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.342 5.702 -16.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.693 6.493 -15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.237 7.339 -15.944 1.00 0.00 H new ATOM 1008 N THR A 71 -5.292 9.578 -8.386 1.00 0.00 N ATOM 1009 CA THR A 71 -5.751 10.703 -7.594 1.00 0.00 C ATOM 1010 C THR A 71 -5.756 10.264 -6.133 1.00 0.00 C ATOM 1011 O THR A 71 -5.520 9.095 -5.823 1.00 0.00 O ATOM 1012 CB THR A 71 -7.103 11.222 -8.138 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.694 12.206 -7.317 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.141 10.115 -8.357 1.00 0.00 C ATOM 0 H THR A 71 -5.709 8.694 -8.095 1.00 0.00 H new ATOM 0 HA THR A 71 -5.087 11.565 -7.665 1.00 0.00 H new ATOM 0 HB THR A 71 -6.833 11.660 -9.099 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.543 12.495 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.064 10.552 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.756 9.393 -9.077 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.342 9.612 -7.411 1.00 0.00 H new ATOM 1022 N THR A 72 -6.039 11.213 -5.250 1.00 0.00 N ATOM 1023 CA THR A 72 -6.110 11.041 -3.806 1.00 0.00 C ATOM 1024 C THR A 72 -7.499 11.398 -3.260 1.00 0.00 C ATOM 1025 O THR A 72 -7.725 11.292 -2.056 1.00 0.00 O ATOM 1026 CB THR A 72 -4.981 11.832 -3.128 1.00 0.00 C ATOM 1027 OG1 THR A 72 -4.991 13.197 -3.528 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.599 11.252 -3.433 1.00 0.00 C ATOM 0 H THR A 72 -6.235 12.172 -5.537 1.00 0.00 H new ATOM 0 HA THR A 72 -5.962 9.987 -3.569 1.00 0.00 H new ATOM 0 HB THR A 72 -5.169 11.756 -2.057 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.263 13.675 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.836 11.847 -2.931 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.550 10.223 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.425 11.273 -4.509 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.437 11.805 -4.127 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.833 12.016 -3.767 1.00 0.00 C ATOM 1038 C LEU A 73 -10.675 11.384 -4.857 1.00 0.00 C ATOM 1039 O LEU A 73 -10.760 11.927 -5.965 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.131 13.510 -3.566 1.00 0.00 C ATOM 1041 CG LEU A 73 -10.658 13.839 -2.166 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -10.348 15.296 -1.826 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -12.133 13.526 -2.000 1.00 0.00 C ATOM 0 H LEU A 73 -8.238 11.997 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.071 11.547 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.222 14.083 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.863 13.830 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.141 13.191 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.725 15.525 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.270 15.454 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.828 15.950 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.447 13.780 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.712 14.109 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.302 12.464 -2.176 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.251 10.224 -4.565 1.00 0.00 N ATOM 1056 CA TYR A 74 -11.912 9.352 -5.531 1.00 0.00 C ATOM 1057 C TYR A 74 -13.234 8.861 -4.959 1.00 0.00 C ATOM 1058 O TYR A 74 -13.383 8.714 -3.749 1.00 0.00 O ATOM 1059 CB TYR A 74 -10.974 8.179 -5.853 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.495 7.210 -6.897 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -11.238 7.425 -8.264 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -12.245 6.089 -6.498 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -11.705 6.512 -9.227 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -12.727 5.181 -7.454 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.449 5.380 -8.823 1.00 0.00 C ATOM 1066 OH TYR A 74 -12.928 4.494 -9.739 1.00 0.00 O ATOM 0 H TYR A 74 -11.272 9.851 -3.616 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.128 9.895 -6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.020 8.580 -6.195 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.777 7.628 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.679 8.295 -8.575 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.451 5.926 -5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.495 6.676 -10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.312 4.329 -7.141 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.414 3.778 -9.279 1.00 0.00 H new ATOM 1076 N THR A 75 -14.188 8.590 -5.840 1.00 0.00 N ATOM 1077 CA THR A 75 -15.520 8.143 -5.489 1.00 0.00 C ATOM 1078 C THR A 75 -15.599 6.645 -5.762 1.00 0.00 C ATOM 1079 O THR A 75 -15.645 6.212 -6.916 1.00 0.00 O ATOM 1080 CB THR A 75 -16.530 8.998 -6.258 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.459 10.324 -5.760 1.00 0.00 O ATOM 1082 CG2 THR A 75 -17.966 8.515 -6.099 1.00 0.00 C ATOM 0 H THR A 75 -14.047 8.679 -6.846 1.00 0.00 H new ATOM 0 HA THR A 75 -15.758 8.275 -4.433 1.00 0.00 H new ATOM 0 HB THR A 75 -16.273 8.933 -7.315 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.099 10.889 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.633 9.163 -6.668 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.049 7.493 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.245 8.543 -5.046 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.588 5.859 -4.688 1.00 0.00 N ATOM 1091 CA VAL A 76 -15.927 4.448 -4.729 1.00 0.00 C ATOM 1092 C VAL A 76 -17.379 4.336 -5.176 1.00 0.00 C ATOM 1093 O VAL A 76 -18.205 5.164 -4.783 1.00 0.00 O ATOM 1094 CB VAL A 76 -15.753 3.826 -3.333 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.011 2.312 -3.382 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.331 4.049 -2.806 1.00 0.00 C ATOM 0 H VAL A 76 -15.340 6.193 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.274 3.916 -5.421 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.471 4.310 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.883 1.889 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.028 2.127 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.305 1.845 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.235 3.600 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.615 3.588 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.131 5.118 -2.739 1.00 0.00 H new ATOM 1106 N ARG A 77 -17.704 3.324 -5.981 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.048 3.085 -6.500 1.00 0.00 C ATOM 1108 C ARG A 77 -19.411 1.604 -6.504 1.00 0.00 C ATOM 1109 O ARG A 77 -18.576 0.737 -6.218 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.110 3.662 -7.915 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.098 5.190 -7.904 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.146 5.732 -9.321 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.430 7.175 -9.323 1.00 0.00 N ATOM 1114 CZ ARG A 77 -19.881 7.864 -10.375 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -20.054 7.281 -11.552 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -20.180 9.150 -10.265 1.00 0.00 N ATOM 0 H ARG A 77 -17.024 2.633 -6.297 1.00 0.00 H new ATOM 0 HA ARG A 77 -19.775 3.573 -5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.263 3.296 -8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.013 3.309 -8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.951 5.562 -7.337 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.200 5.549 -7.401 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.195 5.544 -9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.913 5.206 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.271 7.688 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.842 6.290 -11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.399 7.823 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.067 9.625 -9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.523 9.665 -11.076 1.00 0.00 H new ATOM 1130 N GLY A 78 -20.653 1.310 -6.887 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.175 -0.037 -7.047 1.00 0.00 C ATOM 1132 C GLY A 78 -21.560 -0.675 -5.724 1.00 0.00 C ATOM 1133 O GLY A 78 -21.775 -1.881 -5.677 1.00 0.00 O ATOM 0 H GLY A 78 -21.343 2.031 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.047 -0.009 -7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.426 -0.657 -7.541 1.00 0.00 H new ATOM 1137 N LEU A 79 -21.619 0.103 -4.643 1.00 0.00 N ATOM 1138 CA LEU A 79 -21.862 -0.435 -3.310 1.00 0.00 C ATOM 1139 C LEU A 79 -23.333 -0.821 -3.169 1.00 0.00 C ATOM 1140 O LEU A 79 -24.153 -0.636 -4.073 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.432 0.575 -2.230 1.00 0.00 C ATOM 1142 CG LEU A 79 -19.960 0.991 -2.343 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.690 2.229 -1.496 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -18.984 -0.118 -1.952 1.00 0.00 C ATOM 0 H LEU A 79 -21.500 1.116 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.260 -1.333 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.060 1.463 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.605 0.140 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.789 1.211 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.641 2.511 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.318 3.050 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.918 2.013 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -17.961 0.244 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.162 -0.412 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.131 -0.979 -2.604 1.00 0.00 H new ATOM 1156 N ARG A 80 -23.677 -1.337 -1.996 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.054 -1.682 -1.633 1.00 0.00 C ATOM 1158 C ARG A 80 -25.578 -0.615 -0.688 1.00 0.00 C ATOM 1159 O ARG A 80 -24.812 -0.220 0.189 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.145 -3.062 -0.977 1.00 0.00 C ATOM 1161 CG ARG A 80 -24.735 -4.111 -2.002 1.00 0.00 C ATOM 1162 CD ARG A 80 -24.768 -5.539 -1.451 1.00 0.00 C ATOM 1163 NE ARG A 80 -25.947 -6.269 -1.913 1.00 0.00 N ATOM 1164 CZ ARG A 80 -26.131 -6.754 -3.144 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -25.217 -6.617 -4.102 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -27.261 -7.379 -3.410 1.00 0.00 N ATOM 0 H ARG A 80 -23.002 -1.532 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.658 -1.723 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.494 -3.110 -0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.160 -3.250 -0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.399 -4.046 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -23.729 -3.889 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -23.867 -6.069 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -24.762 -5.509 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 80 -26.695 -6.421 -1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -24.343 -6.129 -3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -25.391 -7.000 -5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -27.970 -7.483 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -27.427 -7.759 -4.342 1.00 0.00 H new ATOM 1180 N PRO A 81 -26.825 -0.154 -0.832 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.387 0.867 0.039 1.00 0.00 C ATOM 1182 C PRO A 81 -27.642 0.342 1.450 1.00 0.00 C ATOM 1183 O PRO A 81 -27.997 -0.823 1.624 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.655 1.349 -0.663 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.022 0.260 -1.676 1.00 0.00 C ATOM 1186 CD PRO A 81 -27.752 -0.558 -1.874 1.00 0.00 C ATOM 0 HA PRO A 81 -26.694 1.695 0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.462 1.503 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.485 2.303 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.836 -0.363 -1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.358 0.696 -2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -27.965 -1.625 -1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.326 -0.378 -2.861 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.493 1.223 2.444 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.630 0.978 3.881 1.00 0.00 C ATOM 1196 C ASN A 82 -26.924 -0.310 4.328 1.00 0.00 C ATOM 1197 O ASN A 82 -27.437 -1.073 5.145 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.128 1.039 4.234 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.393 1.573 5.632 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -28.633 2.368 6.173 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -30.514 1.203 6.218 1.00 0.00 N ATOM 0 H ASN A 82 -27.256 2.196 2.250 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.115 1.754 4.447 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.640 1.670 3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.556 0.040 4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -30.759 1.579 7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -31.137 0.541 5.756 1.00 0.00 H new ATOM 1208 N THR A 83 -25.724 -0.543 3.802 1.00 0.00 N ATOM 1209 CA THR A 83 -24.855 -1.679 4.068 1.00 0.00 C ATOM 1210 C THR A 83 -23.487 -1.107 4.408 1.00 0.00 C ATOM 1211 O THR A 83 -23.031 -0.138 3.797 1.00 0.00 O ATOM 1212 CB THR A 83 -24.876 -2.615 2.836 1.00 0.00 C ATOM 1213 OG1 THR A 83 -26.138 -3.252 2.746 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.783 -3.685 2.833 1.00 0.00 C ATOM 0 H THR A 83 -25.307 0.104 3.133 1.00 0.00 H new ATOM 0 HA THR A 83 -25.176 -2.293 4.909 1.00 0.00 H new ATOM 0 HB THR A 83 -24.684 -1.974 1.976 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.804 -2.614 2.414 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.873 -4.295 1.934 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.804 -3.205 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.891 -4.318 3.713 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.872 -1.675 5.443 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.553 -1.281 5.885 1.00 0.00 C ATOM 1224 C ILE A 84 -20.507 -1.766 4.894 1.00 0.00 C ATOM 1225 O ILE A 84 -20.608 -2.882 4.369 1.00 0.00 O ATOM 1226 CB ILE A 84 -21.284 -1.835 7.294 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -22.135 -1.147 8.374 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.798 -1.780 7.708 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.954 0.364 8.513 1.00 0.00 C ATOM 0 H ILE A 84 -23.285 -2.426 5.997 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.497 -0.193 5.932 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.575 -2.883 7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.185 -1.348 8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.909 -1.609 9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.685 -2.187 8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -19.204 -2.368 7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.455 -0.746 7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.604 0.737 9.304 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.916 0.585 8.762 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.212 0.849 7.572 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.465 -0.954 4.740 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.236 -1.288 4.044 1.00 0.00 C ATOM 1243 C TYR A 85 -17.057 -0.705 4.797 1.00 0.00 C ATOM 1244 O TYR A 85 -17.166 0.308 5.488 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.242 -0.717 2.617 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.159 -1.437 1.657 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.532 -1.130 1.635 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -18.632 -2.401 0.775 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.395 -1.818 0.770 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -19.480 -3.058 -0.131 1.00 0.00 C ATOM 1251 CZ TYR A 85 -20.863 -2.786 -0.110 1.00 0.00 C ATOM 1252 OH TYR A 85 -21.679 -3.469 -0.943 1.00 0.00 O ATOM 0 H TYR A 85 -19.459 -0.005 5.115 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.156 -2.374 3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.534 0.332 2.661 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.226 -0.749 2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.922 -0.362 2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.578 -2.634 0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.455 -1.610 0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.076 -3.767 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.149 -4.095 -1.480 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.912 -1.337 4.588 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.586 -0.825 4.874 1.00 0.00 C ATOM 1264 C LEU A 86 -13.899 -0.505 3.580 1.00 0.00 C ATOM 1265 O LEU A 86 -14.355 -0.987 2.548 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.776 -1.885 5.610 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.337 -2.245 6.985 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.699 -3.549 7.432 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -14.024 -1.183 8.027 1.00 0.00 C ATOM 0 H LEU A 86 -15.885 -2.276 4.191 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.667 0.069 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.733 -2.786 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.752 -1.530 5.727 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.420 -2.328 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.085 -3.826 8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.935 -4.334 6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.618 -3.424 7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.442 -1.482 8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.944 -1.072 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.461 -0.233 7.721 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.790 0.236 3.657 1.00 0.00 N ATOM 1282 CA PHE A 87 -11.925 0.485 2.519 1.00 0.00 C ATOM 1283 C PHE A 87 -10.466 0.587 2.946 1.00 0.00 C ATOM 1284 O PHE A 87 -10.163 1.296 3.908 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.319 1.768 1.781 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.772 1.885 1.414 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.306 1.088 0.390 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.588 2.790 2.104 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.680 1.141 0.099 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -15.934 2.903 1.749 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.495 2.066 0.771 1.00 0.00 C ATOM 0 H PHE A 87 -12.472 0.679 4.519 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.046 -0.363 1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.050 2.621 2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.725 1.839 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.660 0.433 -0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.181 3.394 2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -16.106 0.475 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.552 3.644 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.547 2.133 0.537 1.00 0.00 H new ATOM 1301 N MET A 88 -9.564 -0.033 2.186 1.00 0.00 N ATOM 1302 CA MET A 88 -8.136 0.244 2.167 1.00 0.00 C ATOM 1303 C MET A 88 -7.858 1.007 0.878 1.00 0.00 C ATOM 1304 O MET A 88 -8.539 0.795 -0.123 1.00 0.00 O ATOM 1305 CB MET A 88 -7.353 -1.073 2.088 1.00 0.00 C ATOM 1306 CG MET A 88 -7.165 -1.779 3.410 1.00 0.00 C ATOM 1307 SD MET A 88 -5.509 -2.499 3.484 1.00 0.00 S ATOM 1308 CE MET A 88 -6.064 -3.983 4.284 1.00 0.00 C ATOM 0 H MET A 88 -9.826 -0.776 1.538 1.00 0.00 H new ATOM 0 HA MET A 88 -7.845 0.797 3.060 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.869 -1.746 1.403 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.372 -0.871 1.657 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.304 -1.076 4.232 1.00 0.00 H new ATOM 0 HG3 MET A 88 -7.917 -2.559 3.527 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.207 -4.618 4.508 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.578 -3.727 5.211 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.749 -4.517 3.625 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.839 1.851 0.870 1.00 0.00 N ATOM 1319 CA VAL A 89 -6.117 2.240 -0.331 1.00 0.00 C ATOM 1320 C VAL A 89 -4.811 1.434 -0.311 1.00 0.00 C ATOM 1321 O VAL A 89 -4.264 1.145 0.761 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.881 3.766 -0.322 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.126 4.273 -1.556 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.197 4.546 -0.289 1.00 0.00 C ATOM 0 H VAL A 89 -6.483 2.295 1.717 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.667 2.028 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.288 3.934 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.995 5.353 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.149 3.792 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.696 4.036 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.986 5.615 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.789 4.297 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.754 4.282 0.610 1.00 0.00 H new ATOM 1334 N ARG A 90 -4.267 1.100 -1.476 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.890 0.628 -1.614 1.00 0.00 C ATOM 1336 C ARG A 90 -2.237 1.539 -2.627 1.00 0.00 C ATOM 1337 O ARG A 90 -2.883 1.870 -3.621 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.858 -0.845 -2.064 1.00 0.00 C ATOM 1339 CG ARG A 90 -3.225 -1.778 -0.909 1.00 0.00 C ATOM 1340 CD ARG A 90 -3.444 -3.206 -1.415 1.00 0.00 C ATOM 1341 NE ARG A 90 -3.201 -4.162 -0.327 1.00 0.00 N ATOM 1342 CZ ARG A 90 -3.240 -5.491 -0.432 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -3.971 -6.088 -1.364 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -2.494 -6.178 0.423 1.00 0.00 N ATOM 0 H ARG A 90 -4.772 1.149 -2.361 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.356 0.661 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.554 -0.992 -2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.864 -1.094 -2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.431 -1.769 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.129 -1.418 -0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.462 -3.317 -1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.774 -3.413 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.983 -3.775 0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.518 -5.529 -2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.986 -7.106 -1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.929 -5.687 1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.486 -7.197 0.388 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.989 1.935 -2.414 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.203 2.547 -3.468 1.00 0.00 C ATOM 1360 C ALA A 91 0.446 1.413 -4.246 1.00 0.00 C ATOM 1361 O ALA A 91 0.697 0.341 -3.694 1.00 0.00 O ATOM 1362 CB ALA A 91 0.846 3.488 -2.877 1.00 0.00 C ATOM 0 H ALA A 91 -0.503 1.842 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.828 3.151 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.426 3.938 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.350 4.272 -2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.511 2.926 -2.221 1.00 0.00 H new ATOM 1368 N ILE A 92 0.694 1.650 -5.524 1.00 0.00 N ATOM 1369 CA ILE A 92 1.240 0.697 -6.477 1.00 0.00 C ATOM 1370 C ILE A 92 2.479 1.302 -7.112 1.00 0.00 C ATOM 1371 O ILE A 92 2.575 2.522 -7.243 1.00 0.00 O ATOM 1372 CB ILE A 92 0.121 0.320 -7.484 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.551 -0.916 -6.883 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.584 0.094 -8.932 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.638 -1.529 -7.752 1.00 0.00 C ATOM 0 H ILE A 92 0.510 2.560 -5.947 1.00 0.00 H new ATOM 0 HA ILE A 92 1.561 -0.232 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.566 1.158 -7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.211 -1.671 -6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.983 -0.646 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.274 -0.164 -9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.046 1.005 -9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.309 -0.719 -8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.059 -2.399 -7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.424 -0.794 -7.924 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.211 -1.834 -8.707 1.00 0.00 H new ATOM 1387 N ASN A 93 3.408 0.453 -7.539 1.00 0.00 N ATOM 1388 CA ASN A 93 4.662 0.823 -8.207 1.00 0.00 C ATOM 1389 C ASN A 93 5.098 -0.327 -9.141 1.00 0.00 C ATOM 1390 O ASN A 93 4.339 -1.293 -9.265 1.00 0.00 O ATOM 1391 CB ASN A 93 5.701 1.242 -7.144 1.00 0.00 C ATOM 1392 CG ASN A 93 6.601 0.131 -6.638 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.248 -1.039 -6.666 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.787 0.497 -6.194 1.00 0.00 N ATOM 0 H ASN A 93 3.308 -0.556 -7.427 1.00 0.00 H new ATOM 0 HA ASN A 93 4.541 1.693 -8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.326 2.030 -7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.172 1.673 -6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.445 -0.206 -5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.046 1.483 -6.186 1.00 0.00 H new ATOM 1401 N PRO A 94 6.260 -0.258 -9.825 1.00 0.00 N ATOM 1402 CA PRO A 94 6.705 -1.315 -10.733 1.00 0.00 C ATOM 1403 C PRO A 94 6.907 -2.696 -10.094 1.00 0.00 C ATOM 1404 O PRO A 94 7.091 -3.662 -10.837 1.00 0.00 O ATOM 1405 CB PRO A 94 8.048 -0.854 -11.315 1.00 0.00 C ATOM 1406 CG PRO A 94 8.124 0.640 -11.031 1.00 0.00 C ATOM 1407 CD PRO A 94 7.195 0.859 -9.846 1.00 0.00 C ATOM 0 HA PRO A 94 5.916 -1.454 -11.472 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.879 -1.384 -10.851 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.101 -1.053 -12.385 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.143 0.947 -10.796 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.807 1.223 -11.895 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.761 0.905 -8.916 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.663 1.805 -9.943 1.00 0.00 H new ATOM 1415 N GLN A 95 6.953 -2.800 -8.762 1.00 0.00 N ATOM 1416 CA GLN A 95 7.445 -3.962 -8.029 1.00 0.00 C ATOM 1417 C GLN A 95 6.352 -4.628 -7.190 1.00 0.00 C ATOM 1418 O GLN A 95 6.559 -5.753 -6.736 1.00 0.00 O ATOM 1419 CB GLN A 95 8.639 -3.573 -7.142 1.00 0.00 C ATOM 1420 CG GLN A 95 9.787 -2.887 -7.901 1.00 0.00 C ATOM 1421 CD GLN A 95 10.668 -3.811 -8.741 1.00 0.00 C ATOM 1422 OE1 GLN A 95 10.309 -4.911 -9.151 1.00 0.00 O ATOM 1423 NE2 GLN A 95 11.870 -3.350 -9.023 1.00 0.00 N ATOM 0 H GLN A 95 6.637 -2.050 -8.147 1.00 0.00 H new ATOM 0 HA GLN A 95 7.772 -4.692 -8.770 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.290 -2.907 -6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.024 -4.469 -6.655 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.362 -2.126 -8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.419 -2.370 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.159 -2.435 -8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.511 -3.908 -9.587 1.00 0.00 H new ATOM 1432 N GLY A 96 5.206 -3.980 -6.969 1.00 0.00 N ATOM 1433 CA GLY A 96 4.161 -4.487 -6.095 1.00 0.00 C ATOM 1434 C GLY A 96 3.305 -3.336 -5.589 1.00 0.00 C ATOM 1435 O GLY A 96 3.008 -2.398 -6.339 1.00 0.00 O ATOM 0 H GLY A 96 4.981 -3.082 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.541 -5.204 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.605 -5.019 -5.253 1.00 0.00 H new ATOM 1439 N LEU A 97 2.860 -3.436 -4.336 1.00 0.00 N ATOM 1440 CA LEU A 97 1.960 -2.516 -3.668 1.00 0.00 C ATOM 1441 C LEU A 97 2.406 -2.306 -2.211 1.00 0.00 C ATOM 1442 O LEU A 97 3.132 -3.127 -1.652 1.00 0.00 O ATOM 1443 CB LEU A 97 0.537 -3.089 -3.795 1.00 0.00 C ATOM 1444 CG LEU A 97 0.326 -4.406 -3.021 1.00 0.00 C ATOM 1445 CD1 LEU A 97 -0.137 -4.138 -1.591 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -0.689 -5.287 -3.743 1.00 0.00 C ATOM 0 H LEU A 97 3.139 -4.209 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 97 1.976 -1.527 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.177 -2.348 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.316 -3.258 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 97 1.283 -4.926 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.277 -5.085 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.615 -3.546 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.080 -3.592 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.828 -6.213 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.641 -4.761 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.324 -5.517 -4.744 1.00 0.00 H new ATOM 1458 N SER A 98 1.939 -1.224 -1.595 1.00 0.00 N ATOM 1459 CA SER A 98 2.418 -0.655 -0.339 1.00 0.00 C ATOM 1460 C SER A 98 2.055 -1.472 0.908 1.00 0.00 C ATOM 1461 O SER A 98 1.207 -2.378 0.882 1.00 0.00 O ATOM 1462 CB SER A 98 1.905 0.789 -0.224 1.00 0.00 C ATOM 1463 OG SER A 98 0.485 0.851 -0.129 1.00 0.00 O ATOM 0 H SER A 98 1.165 -0.686 -1.985 1.00 0.00 H new ATOM 0 HA SER A 98 3.507 -0.676 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.347 1.261 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.234 1.360 -1.092 1.00 0.00 H new ATOM 0 HG SER A 98 0.203 0.544 0.758 1.00 0.00 H new ATOM 1469 N ASP A 99 2.681 -1.120 2.035 1.00 0.00 N ATOM 1470 CA ASP A 99 2.060 -1.185 3.361 1.00 0.00 C ATOM 1471 C ASP A 99 0.549 -0.907 3.247 1.00 0.00 C ATOM 1472 O ASP A 99 0.136 -0.064 2.435 1.00 0.00 O ATOM 1473 CB ASP A 99 2.621 -0.075 4.264 1.00 0.00 C ATOM 1474 CG ASP A 99 3.863 -0.411 5.076 1.00 0.00 C ATOM 1475 OD1 ASP A 99 3.741 -1.178 6.060 1.00 0.00 O ATOM 1476 OD2 ASP A 99 4.920 0.218 4.849 1.00 0.00 O ATOM 0 H ASP A 99 3.642 -0.779 2.052 1.00 0.00 H new ATOM 0 HA ASP A 99 2.261 -2.175 3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.848 0.789 3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.835 0.229 4.956 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.290 -1.552 4.073 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.708 -1.243 4.131 1.00 0.00 C ATOM 1483 C PRO A 100 -1.889 0.182 4.663 1.00 0.00 C ATOM 1484 O PRO A 100 -1.300 0.552 5.686 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.311 -2.294 5.069 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.157 -2.652 6.006 1.00 0.00 C ATOM 1487 CD PRO A 100 0.074 -2.507 5.108 1.00 0.00 C ATOM 0 HA PRO A 100 -2.199 -1.276 3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.164 -1.897 5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.664 -3.166 4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.111 -1.982 6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.254 -3.665 6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.933 -2.154 5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.353 -3.466 4.672 1.00 0.00 H new ATOM 1495 N SER A 101 -2.722 0.984 3.996 1.00 0.00 N ATOM 1496 CA SER A 101 -3.217 2.197 4.632 1.00 0.00 C ATOM 1497 C SER A 101 -4.022 1.827 5.891 1.00 0.00 C ATOM 1498 O SER A 101 -4.576 0.723 5.973 1.00 0.00 O ATOM 1499 CB SER A 101 -4.054 3.031 3.662 1.00 0.00 C ATOM 1500 OG SER A 101 -5.030 2.244 3.012 1.00 0.00 O ATOM 0 H SER A 101 -3.057 0.820 3.047 1.00 0.00 H new ATOM 0 HA SER A 101 -2.366 2.811 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.541 3.842 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.402 3.491 2.919 1.00 0.00 H new ATOM 0 HG SER A 101 -4.608 1.726 2.295 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.120 2.731 6.874 1.00 0.00 N ATOM 1507 CA PRO A 102 -4.932 2.520 8.065 1.00 0.00 C ATOM 1508 C PRO A 102 -6.400 2.367 7.684 1.00 0.00 C ATOM 1509 O PRO A 102 -6.890 3.123 6.846 1.00 0.00 O ATOM 1510 CB PRO A 102 -4.757 3.776 8.923 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.525 4.450 8.338 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.514 4.044 6.881 1.00 0.00 C ATOM 0 HA PRO A 102 -4.628 1.617 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.632 4.424 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.614 3.525 9.974 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.579 5.533 8.446 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.617 4.124 8.846 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.078 4.746 6.268 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.500 4.017 6.483 1.00 0.00 H new ATOM 1520 N MET A 103 -7.136 1.483 8.359 1.00 0.00 N ATOM 1521 CA MET A 103 -8.563 1.365 8.152 1.00 0.00 C ATOM 1522 C MET A 103 -9.294 2.694 8.295 1.00 0.00 C ATOM 1523 O MET A 103 -9.151 3.385 9.304 1.00 0.00 O ATOM 1524 CB MET A 103 -9.138 0.326 9.123 1.00 0.00 C ATOM 1525 CG MET A 103 -9.334 -1.004 8.412 1.00 0.00 C ATOM 1526 SD MET A 103 -10.509 -0.905 7.057 1.00 0.00 S ATOM 1527 CE MET A 103 -9.294 -1.206 5.762 1.00 0.00 C ATOM 0 H MET A 103 -6.757 0.840 9.054 1.00 0.00 H new ATOM 0 HA MET A 103 -8.719 1.038 7.124 1.00 0.00 H new ATOM 0 HB2 MET A 103 -8.465 0.198 9.971 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.090 0.677 9.522 1.00 0.00 H new ATOM 0 HG2 MET A 103 -8.374 -1.351 8.029 1.00 0.00 H new ATOM 0 HG3 MET A 103 -9.678 -1.748 9.131 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.761 -1.071 4.786 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.467 -0.504 5.868 1.00 0.00 H new ATOM 0 HE3 MET A 103 -8.917 -2.225 5.846 1.00 0.00 H new ATOM 1537 N SER A 104 -10.154 2.984 7.317 1.00 0.00 N ATOM 1538 CA SER A 104 -11.112 4.084 7.317 1.00 0.00 C ATOM 1539 C SER A 104 -12.084 4.009 8.510 1.00 0.00 C ATOM 1540 O SER A 104 -12.716 5.012 8.841 1.00 0.00 O ATOM 1541 CB SER A 104 -11.813 4.076 5.933 1.00 0.00 C ATOM 1542 OG SER A 104 -13.206 4.350 5.945 1.00 0.00 O ATOM 0 H SER A 104 -10.201 2.429 6.463 1.00 0.00 H new ATOM 0 HA SER A 104 -10.608 5.040 7.456 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.323 4.811 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.658 3.100 5.474 1.00 0.00 H new ATOM 0 HG SER A 104 -13.670 3.666 6.471 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.190 2.849 9.165 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.316 2.412 10.002 1.00 0.00 C ATOM 1550 C ASP A 105 -14.541 2.113 9.097 1.00 0.00 C ATOM 1551 O ASP A 105 -14.518 2.503 7.921 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.584 3.425 11.142 1.00 0.00 C ATOM 1553 CG ASP A 105 -14.056 2.787 12.444 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -13.517 1.725 12.835 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -14.946 3.351 13.116 1.00 0.00 O ATOM 0 H ASP A 105 -11.450 2.148 9.124 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.075 1.480 10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.671 3.987 11.336 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.335 4.141 10.808 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.567 1.359 9.554 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.693 0.961 8.718 1.00 0.00 C ATOM 1562 C PRO A 106 -17.645 2.139 8.478 1.00 0.00 C ATOM 1563 O PRO A 106 -18.214 2.685 9.437 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.409 -0.196 9.423 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.702 -0.398 10.755 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.670 0.720 10.851 1.00 0.00 C ATOM 0 HA PRO A 106 -16.340 0.641 7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.463 0.036 9.575 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -17.366 -1.103 8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.408 -0.350 11.584 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.224 -1.376 10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.966 1.445 11.609 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.703 0.319 11.154 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.870 2.498 7.216 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.902 3.451 6.808 1.00 0.00 C ATOM 1576 C VAL A 107 -20.175 2.688 6.469 1.00 0.00 C ATOM 1577 O VAL A 107 -20.109 1.520 6.095 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.397 4.294 5.621 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -18.233 3.498 4.322 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -19.232 5.550 5.343 1.00 0.00 C ATOM 0 H VAL A 107 -17.331 2.128 6.433 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.126 4.141 7.621 1.00 0.00 H new ATOM 0 HB VAL A 107 -17.410 4.613 5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.875 4.159 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.514 2.694 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.194 3.074 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -18.810 6.087 4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -20.259 5.262 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -19.222 6.196 6.221 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.316 3.374 6.509 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.575 2.949 5.897 1.00 0.00 C ATOM 1592 C ARG A 108 -22.806 3.783 4.649 1.00 0.00 C ATOM 1593 O ARG A 108 -22.632 5.003 4.701 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.736 3.193 6.873 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.989 2.345 6.573 1.00 0.00 C ATOM 1596 CD ARG A 108 -25.112 1.170 7.549 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.498 0.886 7.956 1.00 0.00 N ATOM 1598 CZ ARG A 108 -27.225 1.540 8.874 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -26.695 2.487 9.642 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -28.500 1.205 9.027 1.00 0.00 N ATOM 0 H ARG A 108 -21.393 4.273 6.985 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.525 1.888 5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.398 2.979 7.887 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -24.007 4.248 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.879 2.971 6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.940 1.968 5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -24.688 0.279 7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -24.517 1.382 8.437 1.00 0.00 H new ATOM 0 HE ARG A 108 -26.957 0.105 7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -25.710 2.733 9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -27.273 2.967 10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.905 0.465 8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -29.075 1.687 9.718 1.00 0.00 H new ATOM 1614 N THR A 109 -23.243 3.160 3.567 1.00 0.00 N ATOM 1615 CA THR A 109 -23.917 3.861 2.485 1.00 0.00 C ATOM 1616 C THR A 109 -25.254 4.403 2.983 1.00 0.00 C ATOM 1617 O THR A 109 -25.777 3.989 4.021 1.00 0.00 O ATOM 1618 CB THR A 109 -24.151 2.858 1.347 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.675 1.664 1.902 1.00 0.00 O ATOM 1620 CG2 THR A 109 -22.869 2.516 0.589 1.00 0.00 C ATOM 0 H THR A 109 -23.141 2.157 3.413 1.00 0.00 H new ATOM 0 HA THR A 109 -23.312 4.696 2.133 1.00 0.00 H new ATOM 0 HB THR A 109 -24.842 3.317 0.639 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.371 0.897 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.094 1.803 -0.204 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.451 3.423 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.146 2.077 1.277 1.00 0.00 H new ATOM 1628 N GLN A 110 -25.828 5.319 2.214 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.135 5.865 2.518 1.00 0.00 C ATOM 1630 C GLN A 110 -28.217 4.903 2.046 1.00 0.00 C ATOM 1631 O GLN A 110 -27.963 3.902 1.369 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.267 7.249 1.871 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.308 8.226 2.555 1.00 0.00 C ATOM 1634 CD GLN A 110 -26.984 9.006 3.673 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -27.578 8.419 4.573 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.911 10.322 3.643 1.00 0.00 N ATOM 0 H GLN A 110 -25.401 5.699 1.369 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.256 5.986 3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.042 7.187 0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.293 7.607 1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -25.459 7.676 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.913 8.923 1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -26.412 10.788 2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -27.354 10.874 4.378 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.443 5.250 2.400 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.644 4.606 1.889 1.00 0.00 C ATOM 1647 C ASP A 111 -30.834 4.927 0.397 1.00 0.00 C ATOM 1648 O ASP A 111 -30.275 5.906 -0.118 1.00 0.00 O ATOM 1649 CB ASP A 111 -31.856 5.051 2.715 1.00 0.00 C ATOM 1650 CG ASP A 111 -32.506 6.305 2.141 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -32.046 7.418 2.477 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -33.466 6.156 1.359 1.00 0.00 O ATOM 0 H ASP A 111 -29.636 6.001 3.063 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.542 3.525 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -32.589 4.245 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -31.545 5.241 3.742 1.00 0.00 H new