USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 666 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot -152:sc= 0.234 USER MOD Set 2.1: A 43 SER OG : rot -87:sc= -0.287 USER MOD Set 2.2: A 46 HIS : no HE2:sc= -8.27! C(o=-8.6!,f=-18!) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0.528 USER MOD Set 3.2: A 60 SER OG : rot -135:sc= -1.01 USER MOD Set 4.1: A 10 THR OG1 : rot 69:sc= 0.089 USER MOD Set 4.2: A 88 THR OG1 : rot -179:sc= 0.195 USER MOD Single : A 4 THR OG1 : rot 180:sc= -6.26! USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 0.238 (180deg=0.198) USER MOD Single : A 8 SER OG : rot 180:sc= -0.503 USER MOD Single : A 9 MET CE :methyl -125:sc=-0.000267 (180deg=-0.742) USER MOD Single : A -1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -6:sc= 0.662! USER MOD Single : A 21 CYS SG : rot -103:sc= -0.0614 USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00799 USER MOD Single : A 30 THR OG1 : rot 90:sc= 0.155 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.04! K(o=-2!,f=-0.6) USER MOD Single : A 41 SER OG : rot 180:sc= 0.095 USER MOD Single : A 42 THR OG1 : rot 63:sc= 0.399 USER MOD Single : A 47 GLN : amide:sc= -4.32! C(o=-4.3!,f=-4.4!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0636 USER MOD Single : A 50 THR OG1 : rot 160:sc= -1.77 USER MOD Single : A 51 THR OG1 : rot 87:sc= 0.881 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -134:sc= -4.06! USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.49! USER MOD Single : A 61 SER OG : rot 15:sc= 0.536! USER MOD Single : A 69 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.1!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 74:sc= 0.049 USER MOD Single : A 76 ASN : amide:sc= -10.5! C(o=-10!,f=-12!) USER MOD Single : A 77 SER OG : rot -101:sc= -0.436 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= -0.0345 (180deg=-0.0345) USER MOD Single : A 81 GLN : amide:sc= -1.75 K(o=-1.8,f=-2.5!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N ALA A -1 19.220 0.977 7.487 1.00 0.00 N ATOM 82 CA ALA A -1 18.590 -0.225 6.857 1.00 0.00 C ATOM 83 C ALA A -1 17.273 0.152 6.165 1.00 0.00 C ATOM 84 O ALA A -1 17.272 0.641 5.053 1.00 0.00 O ATOM 85 CB ALA A -1 18.362 -1.195 8.021 1.00 0.00 C ATOM 0 H1 ALA A -1 20.109 0.700 7.950 1.00 0.00 H new ATOM 0 H2 ALA A -1 19.417 1.689 6.755 1.00 0.00 H new ATOM 0 H3 ALA A -1 18.572 1.378 8.195 1.00 0.00 H new ATOM 0 HA ALA A -1 19.214 -0.668 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.901 -2.109 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A -1 19.318 -1.435 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.705 -0.732 8.757 1.00 0.00 H new ATOM 91 N ALA A 0 16.156 -0.066 6.804 1.00 0.00 N ATOM 92 CA ALA A 0 14.852 0.289 6.175 1.00 0.00 C ATOM 93 C ALA A 0 13.835 0.642 7.262 1.00 0.00 C ATOM 94 O ALA A 0 13.621 -0.113 8.190 1.00 0.00 O ATOM 95 CB ALA A 0 14.419 -0.967 5.419 1.00 0.00 C ATOM 0 H ALA A 0 16.090 -0.475 7.736 1.00 0.00 H new ATOM 0 HA ALA A 0 14.928 1.151 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 0 13.464 -0.784 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 0 15.170 -1.218 4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 0 14.314 -1.795 6.120 1.00 0.00 H new ATOM 101 N ARG A 1 13.211 1.782 7.163 1.00 0.00 N ATOM 102 CA ARG A 1 12.218 2.171 8.205 1.00 0.00 C ATOM 103 C ARG A 1 11.125 3.045 7.593 1.00 0.00 C ATOM 104 O ARG A 1 11.380 3.866 6.734 1.00 0.00 O ATOM 105 CB ARG A 1 13.017 2.961 9.242 1.00 0.00 C ATOM 106 CG ARG A 1 13.769 4.103 8.549 1.00 0.00 C ATOM 107 CD ARG A 1 13.458 5.423 9.254 1.00 0.00 C ATOM 108 NE ARG A 1 14.601 6.315 8.914 1.00 0.00 N ATOM 109 CZ ARG A 1 14.585 7.567 9.282 1.00 0.00 C ATOM 110 NH1 ARG A 1 13.953 7.919 10.368 1.00 0.00 N ATOM 111 NH2 ARG A 1 15.201 8.467 8.566 1.00 0.00 N ATOM 0 H ARG A 1 13.344 2.458 6.411 1.00 0.00 H new ATOM 0 HA ARG A 1 11.723 1.305 8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.348 3.362 10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.722 2.304 9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.842 3.911 8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.477 4.161 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.513 5.842 8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.371 5.285 10.332 1.00 0.00 H new ATOM 0 HE ARG A 1 15.397 5.947 8.393 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.472 7.216 10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.940 8.897 10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.696 8.192 7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.188 9.445 8.855 1.00 0.00 H new ATOM 125 N ILE A 2 9.907 2.880 8.029 1.00 0.00 N ATOM 126 CA ILE A 2 8.809 3.708 7.467 1.00 0.00 C ATOM 127 C ILE A 2 8.656 4.996 8.276 1.00 0.00 C ATOM 128 O ILE A 2 8.595 4.989 9.490 1.00 0.00 O ATOM 129 CB ILE A 2 7.551 2.836 7.555 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.677 1.693 6.539 1.00 0.00 C ATOM 131 CG2 ILE A 2 6.309 3.680 7.232 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.368 0.903 6.456 1.00 0.00 C ATOM 0 H ILE A 2 9.627 2.211 8.746 1.00 0.00 H new ATOM 0 HA ILE A 2 9.003 4.010 6.438 1.00 0.00 H new ATOM 0 HB ILE A 2 7.449 2.432 8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.928 2.096 5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.492 1.029 6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.418 3.055 7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.230 4.499 7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.396 4.085 6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.475 0.096 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.134 0.483 7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.562 1.567 6.144 1.00 0.00 H new ATOM 144 N LEU A 3 8.594 6.097 7.592 1.00 0.00 N ATOM 145 CA LEU A 3 8.445 7.414 8.264 1.00 0.00 C ATOM 146 C LEU A 3 6.959 7.730 8.431 1.00 0.00 C ATOM 147 O LEU A 3 6.488 8.055 9.503 1.00 0.00 O ATOM 148 CB LEU A 3 9.104 8.381 7.282 1.00 0.00 C ATOM 149 CG LEU A 3 9.129 9.790 7.860 1.00 0.00 C ATOM 150 CD1 LEU A 3 10.537 10.367 7.698 1.00 0.00 C ATOM 151 CD2 LEU A 3 8.125 10.662 7.100 1.00 0.00 C ATOM 0 H LEU A 3 8.641 6.142 6.574 1.00 0.00 H new ATOM 0 HA LEU A 3 8.889 7.461 9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.120 8.052 7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.559 8.378 6.338 1.00 0.00 H new ATOM 0 HG LEU A 3 8.862 9.767 8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.566 11.376 8.109 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.251 9.738 8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.798 10.398 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.138 11.672 7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.397 10.694 6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.125 10.241 7.205 1.00 0.00 H new ATOM 163 N THR A 4 6.226 7.610 7.368 1.00 0.00 N ATOM 164 CA THR A 4 4.761 7.867 7.407 1.00 0.00 C ATOM 165 C THR A 4 4.051 6.796 6.580 1.00 0.00 C ATOM 166 O THR A 4 4.493 6.439 5.507 1.00 0.00 O ATOM 167 CB THR A 4 4.573 9.243 6.766 1.00 0.00 C ATOM 168 OG1 THR A 4 5.519 10.151 7.309 1.00 0.00 O ATOM 169 CG2 THR A 4 3.157 9.750 7.047 1.00 0.00 C ATOM 0 H THR A 4 6.585 7.339 6.453 1.00 0.00 H new ATOM 0 HA THR A 4 4.354 7.840 8.418 1.00 0.00 H new ATOM 0 HB THR A 4 4.722 9.165 5.689 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.400 11.032 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.024 10.731 6.590 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.431 9.053 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.005 9.828 8.124 1.00 0.00 H new ATOM 177 N LYS A 5 2.964 6.272 7.063 1.00 0.00 N ATOM 178 CA LYS A 5 2.249 5.226 6.292 1.00 0.00 C ATOM 179 C LYS A 5 1.057 5.860 5.556 1.00 0.00 C ATOM 180 O LYS A 5 0.913 7.066 5.552 1.00 0.00 O ATOM 181 CB LYS A 5 1.819 4.200 7.358 1.00 0.00 C ATOM 182 CG LYS A 5 0.546 4.663 8.079 1.00 0.00 C ATOM 183 CD LYS A 5 0.218 3.688 9.212 1.00 0.00 C ATOM 184 CE LYS A 5 -0.999 4.197 9.987 1.00 0.00 C ATOM 185 NZ LYS A 5 -2.175 3.750 9.191 1.00 0.00 N ATOM 0 H LYS A 5 2.541 6.522 7.957 1.00 0.00 H new ATOM 0 HA LYS A 5 2.852 4.750 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.644 3.232 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.622 4.063 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.686 5.667 8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.285 4.713 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.015 2.697 8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.073 3.590 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.025 3.785 10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.979 5.282 10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.049 3.957 9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.190 4.254 8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.109 2.727 9.018 1.00 0.00 H new ATOM 199 N PRO A 6 0.240 5.037 4.952 1.00 0.00 N ATOM 200 CA PRO A 6 -0.931 5.558 4.220 1.00 0.00 C ATOM 201 C PRO A 6 -2.070 5.855 5.201 1.00 0.00 C ATOM 202 O PRO A 6 -2.181 5.239 6.244 1.00 0.00 O ATOM 203 CB PRO A 6 -1.296 4.424 3.270 1.00 0.00 C ATOM 204 CG PRO A 6 -0.755 3.177 3.906 1.00 0.00 C ATOM 205 CD PRO A 6 0.316 3.574 4.893 1.00 0.00 C ATOM 0 HA PRO A 6 -0.735 6.491 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.375 4.358 3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.860 4.583 2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.553 2.631 4.410 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.344 2.511 3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.138 3.128 5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.301 3.241 4.565 1.00 0.00 H new ATOM 213 N ARG A 7 -2.905 6.804 4.885 1.00 0.00 N ATOM 214 CA ARG A 7 -4.026 7.152 5.807 1.00 0.00 C ATOM 215 C ARG A 7 -5.272 6.323 5.489 1.00 0.00 C ATOM 216 O ARG A 7 -6.374 6.683 5.851 1.00 0.00 O ATOM 217 CB ARG A 7 -4.292 8.634 5.553 1.00 0.00 C ATOM 218 CG ARG A 7 -4.703 8.839 4.093 1.00 0.00 C ATOM 219 CD ARG A 7 -3.627 9.648 3.363 1.00 0.00 C ATOM 220 NE ARG A 7 -3.496 10.909 4.144 1.00 0.00 N ATOM 221 CZ ARG A 7 -2.622 11.811 3.788 1.00 0.00 C ATOM 222 NH1 ARG A 7 -1.347 11.527 3.800 1.00 0.00 N ATOM 223 NH2 ARG A 7 -3.021 12.997 3.418 1.00 0.00 N ATOM 0 H ARG A 7 -2.861 7.355 4.028 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.777 6.947 6.848 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.079 8.991 6.217 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.399 9.218 5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.840 7.874 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.659 9.360 4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.682 9.106 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.917 9.851 2.332 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.090 11.068 4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.034 10.600 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.665 12.232 3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.016 13.220 3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.338 13.701 3.140 1.00 0.00 H new ATOM 237 N SER A 8 -5.110 5.214 4.822 1.00 0.00 N ATOM 238 CA SER A 8 -6.286 4.359 4.483 1.00 0.00 C ATOM 239 C SER A 8 -7.415 5.212 3.888 1.00 0.00 C ATOM 240 O SER A 8 -7.220 6.358 3.540 1.00 0.00 O ATOM 241 CB SER A 8 -6.739 3.730 5.803 1.00 0.00 C ATOM 242 OG SER A 8 -5.789 3.996 6.830 1.00 0.00 O ATOM 0 H SER A 8 -4.211 4.860 4.495 1.00 0.00 H new ATOM 0 HA SER A 8 -6.029 3.602 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.713 4.128 6.088 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.858 2.654 5.679 1.00 0.00 H new ATOM 0 HG SER A 8 -6.092 3.590 7.669 1.00 0.00 H new ATOM 248 N MET A 9 -8.592 4.654 3.774 1.00 0.00 N ATOM 249 CA MET A 9 -9.746 5.412 3.202 1.00 0.00 C ATOM 250 C MET A 9 -10.991 4.523 3.212 1.00 0.00 C ATOM 251 O MET A 9 -10.942 3.370 3.590 1.00 0.00 O ATOM 252 CB MET A 9 -9.340 5.740 1.763 1.00 0.00 C ATOM 253 CG MET A 9 -10.054 6.995 1.257 1.00 0.00 C ATOM 254 SD MET A 9 -9.712 8.407 2.341 1.00 0.00 S ATOM 255 CE MET A 9 -8.060 8.787 1.708 1.00 0.00 C ATOM 0 H MET A 9 -8.806 3.697 4.055 1.00 0.00 H new ATOM 0 HA MET A 9 -9.977 6.313 3.770 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.261 5.887 1.712 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.578 4.897 1.114 1.00 0.00 H new ATOM 0 HG2 MET A 9 -9.727 7.221 0.242 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.128 6.816 1.213 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.347 8.791 2.532 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.767 8.032 0.978 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.070 9.767 1.232 1.00 0.00 H new ATOM 265 N THR A 10 -12.104 5.052 2.804 1.00 0.00 N ATOM 266 CA THR A 10 -13.354 4.241 2.790 1.00 0.00 C ATOM 267 C THR A 10 -14.281 4.691 1.662 1.00 0.00 C ATOM 268 O THR A 10 -14.654 5.842 1.565 1.00 0.00 O ATOM 269 CB THR A 10 -13.997 4.498 4.148 1.00 0.00 C ATOM 270 OG1 THR A 10 -15.180 3.722 4.267 1.00 0.00 O ATOM 271 CG2 THR A 10 -14.337 5.981 4.284 1.00 0.00 C ATOM 0 H THR A 10 -12.206 6.013 2.478 1.00 0.00 H new ATOM 0 HA THR A 10 -13.155 3.183 2.620 1.00 0.00 H new ATOM 0 HB THR A 10 -13.300 4.217 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.944 2.773 4.331 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.796 6.161 5.256 1.00 0.00 H new ATOM 0 HG22 THR A 10 -13.426 6.573 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.032 6.269 3.495 1.00 0.00 H new ATOM 279 N VAL A 11 -14.659 3.777 0.815 1.00 0.00 N ATOM 280 CA VAL A 11 -15.568 4.119 -0.310 1.00 0.00 C ATOM 281 C VAL A 11 -16.684 3.076 -0.404 1.00 0.00 C ATOM 282 O VAL A 11 -16.747 2.158 0.382 1.00 0.00 O ATOM 283 CB VAL A 11 -14.691 4.071 -1.558 1.00 0.00 C ATOM 284 CG1 VAL A 11 -13.528 5.051 -1.411 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.142 2.658 -1.743 1.00 0.00 C ATOM 0 H VAL A 11 -14.374 2.798 0.855 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.040 5.093 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.289 4.347 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.905 5.013 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.917 6.061 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.931 4.779 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.516 2.625 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.548 2.381 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.970 1.958 -1.855 1.00 0.00 H new ATOM 295 N TYR A 12 -17.551 3.203 -1.369 1.00 0.00 N ATOM 296 CA TYR A 12 -18.651 2.203 -1.526 1.00 0.00 C ATOM 297 C TYR A 12 -18.246 1.125 -2.528 1.00 0.00 C ATOM 298 O TYR A 12 -18.930 0.139 -2.716 1.00 0.00 O ATOM 299 CB TYR A 12 -19.820 3.000 -2.069 1.00 0.00 C ATOM 300 CG TYR A 12 -21.000 2.838 -1.152 1.00 0.00 C ATOM 301 CD1 TYR A 12 -20.857 3.084 0.216 1.00 0.00 C ATOM 302 CD2 TYR A 12 -22.233 2.439 -1.672 1.00 0.00 C ATOM 303 CE1 TYR A 12 -21.955 2.930 1.070 1.00 0.00 C ATOM 304 CE2 TYR A 12 -23.333 2.285 -0.820 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.194 2.531 0.552 1.00 0.00 C ATOM 306 OH TYR A 12 -24.277 2.378 1.393 1.00 0.00 O ATOM 0 H TYR A 12 -17.548 3.955 -2.058 1.00 0.00 H new ATOM 0 HA TYR A 12 -18.888 1.700 -0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.550 4.053 -2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -20.074 2.657 -3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -19.901 3.392 0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -22.338 2.249 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -21.847 3.119 2.128 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -24.288 1.977 -1.220 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.059 2.098 0.872 1.00 0.00 H new ATOM 316 N GLU A 13 -17.143 1.321 -3.181 1.00 0.00 N ATOM 317 CA GLU A 13 -16.670 0.327 -4.179 1.00 0.00 C ATOM 318 C GLU A 13 -15.260 0.718 -4.643 1.00 0.00 C ATOM 319 O GLU A 13 -14.398 1.004 -3.836 1.00 0.00 O ATOM 320 CB GLU A 13 -17.687 0.404 -5.320 1.00 0.00 C ATOM 321 CG GLU A 13 -17.669 1.808 -5.925 1.00 0.00 C ATOM 322 CD GLU A 13 -17.635 1.712 -7.451 1.00 0.00 C ATOM 323 OE1 GLU A 13 -18.138 0.731 -7.975 1.00 0.00 O ATOM 324 OE2 GLU A 13 -17.108 2.622 -8.071 1.00 0.00 O ATOM 0 H GLU A 13 -16.540 2.136 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.603 -0.688 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.449 -0.336 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.685 0.169 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.551 2.363 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.799 2.358 -5.566 1.00 0.00 H new ATOM 331 N GLY A 14 -15.011 0.746 -5.923 1.00 0.00 N ATOM 332 CA GLY A 14 -13.658 1.129 -6.404 1.00 0.00 C ATOM 333 C GLY A 14 -13.702 2.561 -6.933 1.00 0.00 C ATOM 334 O GLY A 14 -13.411 2.817 -8.084 1.00 0.00 O ATOM 0 H GLY A 14 -15.686 0.520 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.934 1.050 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.332 0.448 -7.190 1.00 0.00 H new ATOM 338 N GLU A 15 -14.063 3.499 -6.103 1.00 0.00 N ATOM 339 CA GLU A 15 -14.119 4.912 -6.568 1.00 0.00 C ATOM 340 C GLU A 15 -12.708 5.386 -6.913 1.00 0.00 C ATOM 341 O GLU A 15 -12.266 5.281 -8.041 1.00 0.00 O ATOM 342 CB GLU A 15 -14.698 5.698 -5.391 1.00 0.00 C ATOM 343 CG GLU A 15 -16.222 5.567 -5.392 1.00 0.00 C ATOM 344 CD GLU A 15 -16.847 6.856 -4.857 1.00 0.00 C ATOM 345 OE1 GLU A 15 -16.771 7.076 -3.660 1.00 0.00 O ATOM 346 OE2 GLU A 15 -17.391 7.602 -5.655 1.00 0.00 O ATOM 0 H GLU A 15 -14.321 3.349 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.728 5.043 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.290 5.322 -4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.412 6.747 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.580 5.369 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.525 4.721 -4.776 1.00 0.00 H new ATOM 353 N SER A 16 -11.983 5.891 -5.954 1.00 0.00 N ATOM 354 CA SER A 16 -10.593 6.348 -6.236 1.00 0.00 C ATOM 355 C SER A 16 -9.937 6.886 -4.968 1.00 0.00 C ATOM 356 O SER A 16 -9.648 8.060 -4.856 1.00 0.00 O ATOM 357 CB SER A 16 -10.714 7.453 -7.283 1.00 0.00 C ATOM 358 OG SER A 16 -9.730 7.242 -8.285 1.00 0.00 O ATOM 0 H SER A 16 -12.292 6.007 -4.989 1.00 0.00 H new ATOM 0 HA SER A 16 -9.972 5.527 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.710 7.447 -7.725 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.577 8.430 -6.819 1.00 0.00 H new ATOM 0 HG SER A 16 -9.799 7.945 -8.964 1.00 0.00 H new ATOM 364 N ALA A 17 -9.675 6.029 -4.023 1.00 0.00 N ATOM 365 CA ALA A 17 -9.010 6.484 -2.775 1.00 0.00 C ATOM 366 C ALA A 17 -7.499 6.391 -2.972 1.00 0.00 C ATOM 367 O ALA A 17 -6.973 5.342 -3.286 1.00 0.00 O ATOM 368 CB ALA A 17 -9.481 5.514 -1.691 1.00 0.00 C ATOM 0 H ALA A 17 -9.893 5.033 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.250 7.513 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.030 5.787 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.567 5.562 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.183 4.500 -1.956 1.00 0.00 H new ATOM 374 N ARG A 18 -6.797 7.479 -2.822 1.00 0.00 N ATOM 375 CA ARG A 18 -5.324 7.435 -3.033 1.00 0.00 C ATOM 376 C ARG A 18 -4.581 7.438 -1.694 1.00 0.00 C ATOM 377 O ARG A 18 -4.766 8.307 -0.864 1.00 0.00 O ATOM 378 CB ARG A 18 -4.999 8.697 -3.832 1.00 0.00 C ATOM 379 CG ARG A 18 -4.606 8.311 -5.260 1.00 0.00 C ATOM 380 CD ARG A 18 -4.252 9.571 -6.052 1.00 0.00 C ATOM 381 NE ARG A 18 -5.267 9.640 -7.139 1.00 0.00 N ATOM 382 CZ ARG A 18 -4.892 9.562 -8.387 1.00 0.00 C ATOM 383 NH1 ARG A 18 -3.859 10.243 -8.802 1.00 0.00 N ATOM 384 NH2 ARG A 18 -5.551 8.803 -9.219 1.00 0.00 N ATOM 0 H ARG A 18 -7.176 8.390 -2.564 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.016 6.529 -3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.862 9.362 -3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.185 9.243 -3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.756 7.629 -5.242 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.428 7.783 -5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.290 10.458 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.242 9.511 -6.458 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.255 9.748 -6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.344 10.836 -8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.566 10.182 -9.777 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.358 8.271 -8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.259 8.742 -10.194 1.00 0.00 H new ATOM 398 N PHE A 19 -3.740 6.467 -1.490 1.00 0.00 N ATOM 399 CA PHE A 19 -2.966 6.380 -0.211 1.00 0.00 C ATOM 400 C PHE A 19 -1.483 6.630 -0.489 1.00 0.00 C ATOM 401 O PHE A 19 -1.010 6.434 -1.589 1.00 0.00 O ATOM 402 CB PHE A 19 -3.153 4.942 0.308 1.00 0.00 C ATOM 403 CG PHE A 19 -4.576 4.484 0.088 1.00 0.00 C ATOM 404 CD1 PHE A 19 -4.970 4.015 -1.168 1.00 0.00 C ATOM 405 CD2 PHE A 19 -5.497 4.538 1.135 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.287 3.602 -1.379 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.815 4.127 0.924 1.00 0.00 C ATOM 408 CZ PHE A 19 -7.212 3.659 -0.332 1.00 0.00 C ATOM 0 H PHE A 19 -3.550 5.720 -2.158 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.310 7.118 0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.465 4.271 -0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.910 4.897 1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.255 3.972 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.191 4.897 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.591 3.239 -2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.529 4.171 1.733 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.232 3.342 -0.493 1.00 0.00 H new ATOM 418 N SER A 20 -0.741 7.051 0.495 1.00 0.00 N ATOM 419 CA SER A 20 0.712 7.293 0.270 1.00 0.00 C ATOM 420 C SER A 20 1.497 7.085 1.568 1.00 0.00 C ATOM 421 O SER A 20 1.156 7.627 2.601 1.00 0.00 O ATOM 422 CB SER A 20 0.806 8.747 -0.190 1.00 0.00 C ATOM 423 OG SER A 20 0.703 9.603 0.939 1.00 0.00 O ATOM 0 H SER A 20 -1.074 7.238 1.441 1.00 0.00 H new ATOM 0 HA SER A 20 1.134 6.606 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.751 8.917 -0.705 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.011 8.968 -0.902 1.00 0.00 H new ATOM 0 HG SER A 20 0.504 9.070 1.737 1.00 0.00 H new ATOM 429 N CYS A 21 2.553 6.321 1.526 1.00 0.00 N ATOM 430 CA CYS A 21 3.357 6.108 2.755 1.00 0.00 C ATOM 431 C CYS A 21 4.811 6.469 2.448 1.00 0.00 C ATOM 432 O CYS A 21 5.403 5.936 1.535 1.00 0.00 O ATOM 433 CB CYS A 21 3.215 4.623 3.074 1.00 0.00 C ATOM 434 SG CYS A 21 3.721 3.633 1.651 1.00 0.00 S ATOM 0 H CYS A 21 2.891 5.837 0.694 1.00 0.00 H new ATOM 0 HA CYS A 21 3.032 6.718 3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.826 4.369 3.940 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.181 4.396 3.336 1.00 0.00 H new ATOM 0 HG CYS A 21 2.666 3.181 1.039 1.00 0.00 H new ATOM 440 N ASP A 22 5.390 7.384 3.173 1.00 0.00 N ATOM 441 CA ASP A 22 6.797 7.780 2.870 1.00 0.00 C ATOM 442 C ASP A 22 7.789 6.914 3.642 1.00 0.00 C ATOM 443 O ASP A 22 7.810 6.906 4.847 1.00 0.00 O ATOM 444 CB ASP A 22 6.907 9.234 3.314 1.00 0.00 C ATOM 445 CG ASP A 22 5.793 10.063 2.666 1.00 0.00 C ATOM 446 OD1 ASP A 22 4.666 9.964 3.122 1.00 0.00 O ATOM 447 OD2 ASP A 22 6.089 10.781 1.726 1.00 0.00 O ATOM 0 H ASP A 22 4.956 7.873 3.956 1.00 0.00 H new ATOM 0 HA ASP A 22 7.030 7.652 1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.835 9.298 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.881 9.636 3.035 1.00 0.00 H new ATOM 452 N THR A 23 8.615 6.185 2.950 1.00 0.00 N ATOM 453 CA THR A 23 9.610 5.319 3.644 1.00 0.00 C ATOM 454 C THR A 23 11.034 5.769 3.296 1.00 0.00 C ATOM 455 O THR A 23 11.313 6.158 2.181 1.00 0.00 O ATOM 456 CB THR A 23 9.343 3.912 3.108 1.00 0.00 C ATOM 457 OG1 THR A 23 9.692 3.857 1.731 1.00 0.00 O ATOM 458 CG2 THR A 23 7.859 3.572 3.275 1.00 0.00 C ATOM 0 H THR A 23 8.646 6.150 1.931 1.00 0.00 H new ATOM 0 HA THR A 23 9.520 5.367 4.729 1.00 0.00 H new ATOM 0 HB THR A 23 9.943 3.191 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.523 2.955 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.670 2.569 2.893 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.593 3.614 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.256 4.291 2.720 1.00 0.00 H new ATOM 466 N ASP A 24 11.938 5.719 4.241 1.00 0.00 N ATOM 467 CA ASP A 24 13.339 6.146 3.950 1.00 0.00 C ATOM 468 C ASP A 24 14.297 4.954 4.063 1.00 0.00 C ATOM 469 O ASP A 24 13.980 3.946 4.663 1.00 0.00 O ATOM 470 CB ASP A 24 13.662 7.192 5.013 1.00 0.00 C ATOM 471 CG ASP A 24 13.113 8.551 4.579 1.00 0.00 C ATOM 472 OD1 ASP A 24 13.207 8.857 3.400 1.00 0.00 O ATOM 473 OD2 ASP A 24 12.608 9.264 5.430 1.00 0.00 O ATOM 0 H ASP A 24 11.768 5.403 5.196 1.00 0.00 H new ATOM 0 HA ASP A 24 13.446 6.541 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.226 6.901 5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.740 7.254 5.160 1.00 0.00 H new ATOM 478 N GLY A 25 15.467 5.067 3.492 1.00 0.00 N ATOM 479 CA GLY A 25 16.447 3.944 3.566 1.00 0.00 C ATOM 480 C GLY A 25 17.533 4.133 2.502 1.00 0.00 C ATOM 481 O GLY A 25 17.601 5.151 1.842 1.00 0.00 O ATOM 0 H GLY A 25 15.786 5.888 2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.899 3.908 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.937 2.993 3.413 1.00 0.00 H new ATOM 485 N GLU A 26 18.382 3.154 2.330 1.00 0.00 N ATOM 486 CA GLU A 26 19.467 3.270 1.307 1.00 0.00 C ATOM 487 C GLU A 26 19.694 1.912 0.610 1.00 0.00 C ATOM 488 O GLU A 26 19.623 0.885 1.257 1.00 0.00 O ATOM 489 CB GLU A 26 20.717 3.676 2.086 1.00 0.00 C ATOM 490 CG GLU A 26 21.006 2.642 3.176 1.00 0.00 C ATOM 491 CD GLU A 26 22.031 1.623 2.673 1.00 0.00 C ATOM 492 OE1 GLU A 26 22.175 1.497 1.470 1.00 0.00 O ATOM 493 OE2 GLU A 26 22.659 0.989 3.503 1.00 0.00 O ATOM 0 H GLU A 26 18.372 2.278 2.853 1.00 0.00 H new ATOM 0 HA GLU A 26 19.216 3.993 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 26 21.569 3.754 1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.575 4.660 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.384 3.139 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 26 20.085 2.133 3.460 1.00 0.00 H new ATOM 500 N PRO A 27 19.975 1.929 -0.685 1.00 0.00 N ATOM 501 CA PRO A 27 20.060 3.192 -1.473 1.00 0.00 C ATOM 502 C PRO A 27 18.659 3.748 -1.709 1.00 0.00 C ATOM 503 O PRO A 27 18.456 4.938 -1.827 1.00 0.00 O ATOM 504 CB PRO A 27 20.708 2.760 -2.786 1.00 0.00 C ATOM 505 CG PRO A 27 20.385 1.306 -2.914 1.00 0.00 C ATOM 506 CD PRO A 27 20.249 0.752 -1.519 1.00 0.00 C ATOM 0 HA PRO A 27 20.626 3.978 -0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.312 3.328 -3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.785 2.925 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.461 1.166 -3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.171 0.784 -3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.440 0.024 -1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.160 0.244 -1.202 1.00 0.00 H new ATOM 514 N VAL A 28 17.697 2.882 -1.763 1.00 0.00 N ATOM 515 CA VAL A 28 16.296 3.313 -1.968 1.00 0.00 C ATOM 516 C VAL A 28 15.365 2.256 -1.356 1.00 0.00 C ATOM 517 O VAL A 28 15.548 1.075 -1.579 1.00 0.00 O ATOM 518 CB VAL A 28 16.138 3.397 -3.488 1.00 0.00 C ATOM 519 CG1 VAL A 28 14.659 3.481 -3.848 1.00 0.00 C ATOM 520 CG2 VAL A 28 16.852 4.651 -3.999 1.00 0.00 C ATOM 0 H VAL A 28 17.825 1.874 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 28 16.052 4.266 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 28 16.572 2.509 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.551 3.541 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.144 2.593 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.223 4.369 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.743 4.716 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.412 5.534 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.910 4.597 -3.744 1.00 0.00 H new ATOM 530 N PRO A 29 14.408 2.703 -0.585 1.00 0.00 N ATOM 531 CA PRO A 29 13.466 1.764 0.077 1.00 0.00 C ATOM 532 C PRO A 29 12.578 1.064 -0.954 1.00 0.00 C ATOM 533 O PRO A 29 12.458 1.493 -2.085 1.00 0.00 O ATOM 534 CB PRO A 29 12.633 2.669 0.977 1.00 0.00 C ATOM 535 CG PRO A 29 12.724 4.015 0.346 1.00 0.00 C ATOM 536 CD PRO A 29 14.096 4.101 -0.263 1.00 0.00 C ATOM 0 HA PRO A 29 13.975 0.970 0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.599 2.328 1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.022 2.682 1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.952 4.142 -0.413 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.576 4.802 1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.103 4.730 -1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.820 4.525 0.433 1.00 0.00 H new ATOM 544 N THR A 30 11.948 -0.002 -0.557 1.00 0.00 N ATOM 545 CA THR A 30 11.046 -0.742 -1.490 1.00 0.00 C ATOM 546 C THR A 30 9.668 -0.875 -0.846 1.00 0.00 C ATOM 547 O THR A 30 9.540 -0.811 0.360 1.00 0.00 O ATOM 548 CB THR A 30 11.694 -2.116 -1.674 1.00 0.00 C ATOM 549 OG1 THR A 30 13.094 -1.957 -1.846 1.00 0.00 O ATOM 550 CG2 THR A 30 11.100 -2.804 -2.904 1.00 0.00 C ATOM 0 H THR A 30 12.017 -0.399 0.380 1.00 0.00 H new ATOM 0 HA THR A 30 10.917 -0.236 -2.447 1.00 0.00 H new ATOM 0 HB THR A 30 11.503 -2.729 -0.793 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.537 -1.991 -0.972 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.563 -3.782 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.025 -2.926 -2.769 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.288 -2.194 -3.788 1.00 0.00 H new ATOM 558 N VAL A 31 8.631 -1.044 -1.623 1.00 0.00 N ATOM 559 CA VAL A 31 7.278 -1.157 -1.007 1.00 0.00 C ATOM 560 C VAL A 31 6.464 -2.307 -1.610 1.00 0.00 C ATOM 561 O VAL A 31 6.303 -2.413 -2.810 1.00 0.00 O ATOM 562 CB VAL A 31 6.603 0.199 -1.274 1.00 0.00 C ATOM 563 CG1 VAL A 31 5.992 0.230 -2.679 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.494 0.424 -0.245 1.00 0.00 C ATOM 0 H VAL A 31 8.660 -1.108 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 31 7.346 -1.382 0.057 1.00 0.00 H new ATOM 0 HB VAL A 31 7.356 0.984 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.519 1.197 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.776 0.074 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.246 -0.559 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.014 1.385 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.755 -0.373 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.922 0.421 0.758 1.00 0.00 H new ATOM 574 N THR A 32 5.906 -3.132 -0.775 1.00 0.00 N ATOM 575 CA THR A 32 5.050 -4.234 -1.279 1.00 0.00 C ATOM 576 C THR A 32 3.741 -4.192 -0.514 1.00 0.00 C ATOM 577 O THR A 32 3.700 -4.441 0.667 1.00 0.00 O ATOM 578 CB THR A 32 5.783 -5.537 -0.983 1.00 0.00 C ATOM 579 OG1 THR A 32 7.061 -5.516 -1.605 1.00 0.00 O ATOM 580 CG2 THR A 32 4.957 -6.711 -1.529 1.00 0.00 C ATOM 0 H THR A 32 6.007 -3.090 0.239 1.00 0.00 H new ATOM 0 HA THR A 32 4.850 -4.147 -2.347 1.00 0.00 H new ATOM 0 HB THR A 32 5.913 -5.652 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.532 -6.353 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.474 -7.648 -1.321 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.979 -6.722 -1.048 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.831 -6.597 -2.606 1.00 0.00 H new ATOM 588 N TRP A 33 2.673 -3.889 -1.169 1.00 0.00 N ATOM 589 CA TRP A 33 1.371 -3.837 -0.456 1.00 0.00 C ATOM 590 C TRP A 33 0.780 -5.239 -0.453 1.00 0.00 C ATOM 591 O TRP A 33 0.599 -5.852 -1.487 1.00 0.00 O ATOM 592 CB TRP A 33 0.512 -2.864 -1.255 1.00 0.00 C ATOM 593 CG TRP A 33 1.201 -1.543 -1.336 1.00 0.00 C ATOM 594 CD1 TRP A 33 2.235 -1.265 -2.145 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.920 -0.327 -0.598 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.624 0.052 -1.949 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.836 0.674 -0.999 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.031 -0.007 0.371 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.802 1.958 -0.445 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.075 1.278 0.929 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.842 2.260 0.521 1.00 0.00 C ATOM 0 H TRP A 33 2.637 -3.674 -2.165 1.00 0.00 H new ATOM 0 HA TRP A 33 1.449 -3.508 0.580 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.335 -3.256 -2.257 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.463 -2.749 -0.781 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.691 -1.956 -2.838 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.394 0.504 -2.443 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.739 -0.756 0.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.512 2.708 -0.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.818 1.514 1.677 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.804 3.248 0.955 1.00 0.00 H new ATOM 612 N LEU A 34 0.516 -5.770 0.707 1.00 0.00 N ATOM 613 CA LEU A 34 -0.019 -7.155 0.769 1.00 0.00 C ATOM 614 C LEU A 34 -0.906 -7.359 1.981 1.00 0.00 C ATOM 615 O LEU A 34 -0.760 -6.724 3.007 1.00 0.00 O ATOM 616 CB LEU A 34 1.210 -8.051 0.864 1.00 0.00 C ATOM 617 CG LEU A 34 1.961 -7.742 2.154 1.00 0.00 C ATOM 618 CD1 LEU A 34 2.195 -9.041 2.927 1.00 0.00 C ATOM 619 CD2 LEU A 34 3.294 -7.088 1.808 1.00 0.00 C ATOM 0 H LEU A 34 0.646 -5.309 1.607 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.636 -7.377 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.912 -9.099 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.860 -7.889 0.004 1.00 0.00 H new ATOM 0 HG LEU A 34 1.377 -7.062 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.732 -8.823 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.236 -9.501 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.784 -9.726 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.838 -6.863 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.884 -7.768 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.114 -6.165 1.258 1.00 0.00 H new ATOM 631 N ARG A 35 -1.822 -8.258 1.857 1.00 0.00 N ATOM 632 CA ARG A 35 -2.735 -8.553 2.969 1.00 0.00 C ATOM 633 C ARG A 35 -3.371 -9.917 2.713 1.00 0.00 C ATOM 634 O ARG A 35 -3.223 -10.479 1.647 1.00 0.00 O ATOM 635 CB ARG A 35 -3.769 -7.439 2.901 1.00 0.00 C ATOM 636 CG ARG A 35 -4.845 -7.669 3.961 1.00 0.00 C ATOM 637 CD ARG A 35 -4.199 -7.691 5.349 1.00 0.00 C ATOM 638 NE ARG A 35 -5.307 -8.011 6.289 1.00 0.00 N ATOM 639 CZ ARG A 35 -5.042 -8.325 7.529 1.00 0.00 C ATOM 640 NH1 ARG A 35 -3.953 -7.882 8.097 1.00 0.00 N ATOM 641 NH2 ARG A 35 -5.865 -9.084 8.200 1.00 0.00 N ATOM 0 H ARG A 35 -1.978 -8.811 1.014 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.256 -8.593 3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.289 -6.474 3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.222 -7.410 1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.595 -6.880 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.360 -8.611 3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.408 -8.439 5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.745 -6.729 5.588 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.274 -7.985 5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.309 -7.290 7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.747 -8.128 9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.715 -9.432 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.658 -9.329 9.168 1.00 0.00 H new ATOM 655 N LYS A 36 -4.089 -10.450 3.658 1.00 0.00 N ATOM 656 CA LYS A 36 -4.750 -11.770 3.437 1.00 0.00 C ATOM 657 C LYS A 36 -5.493 -11.776 2.087 1.00 0.00 C ATOM 658 O LYS A 36 -5.742 -12.818 1.514 1.00 0.00 O ATOM 659 CB LYS A 36 -5.739 -11.915 4.594 1.00 0.00 C ATOM 660 CG LYS A 36 -6.364 -13.311 4.561 1.00 0.00 C ATOM 661 CD LYS A 36 -7.887 -13.190 4.625 1.00 0.00 C ATOM 662 CE LYS A 36 -8.527 -14.400 3.940 1.00 0.00 C ATOM 663 NZ LYS A 36 -9.864 -13.923 3.489 1.00 0.00 N ATOM 0 H LYS A 36 -4.249 -10.032 4.575 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.033 -12.591 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.229 -11.756 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.517 -11.155 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.068 -13.832 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.000 -13.904 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.214 -13.132 5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.210 -12.270 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.925 -14.742 3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.619 -15.241 4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.365 -14.698 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.417 -13.611 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.745 -13.127 2.830 1.00 0.00 H new ATOM 677 N GLY A 37 -5.839 -10.619 1.571 1.00 0.00 N ATOM 678 CA GLY A 37 -6.550 -10.567 0.262 1.00 0.00 C ATOM 679 C GLY A 37 -5.679 -11.214 -0.820 1.00 0.00 C ATOM 680 O GLY A 37 -5.612 -12.422 -0.938 1.00 0.00 O ATOM 0 H GLY A 37 -5.658 -9.713 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.505 -11.087 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.770 -9.533 -0.004 1.00 0.00 H new ATOM 684 N GLN A 38 -5.008 -10.418 -1.610 1.00 0.00 N ATOM 685 CA GLN A 38 -4.139 -10.984 -2.684 1.00 0.00 C ATOM 686 C GLN A 38 -3.158 -9.916 -3.181 1.00 0.00 C ATOM 687 O GLN A 38 -3.405 -9.264 -4.172 1.00 0.00 O ATOM 688 CB GLN A 38 -5.099 -11.388 -3.803 1.00 0.00 C ATOM 689 CG GLN A 38 -4.328 -12.136 -4.891 1.00 0.00 C ATOM 690 CD GLN A 38 -3.715 -13.407 -4.300 1.00 0.00 C ATOM 691 OE1 GLN A 38 -4.305 -14.467 -4.364 1.00 0.00 O ATOM 692 NE2 GLN A 38 -2.546 -13.345 -3.724 1.00 0.00 N ATOM 0 H GLN A 38 -5.024 -9.399 -1.558 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.546 -11.829 -2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.893 -12.020 -3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.577 -10.503 -4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.995 -12.390 -5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.545 -11.498 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.051 -12.455 -3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.128 -14.186 -3.328 1.00 0.00 H new ATOM 701 N VAL A 39 -2.061 -9.744 -2.472 1.00 0.00 N ATOM 702 CA VAL A 39 -1.010 -8.718 -2.826 1.00 0.00 C ATOM 703 C VAL A 39 -1.590 -7.517 -3.592 1.00 0.00 C ATOM 704 O VAL A 39 -1.843 -7.560 -4.780 1.00 0.00 O ATOM 705 CB VAL A 39 0.056 -9.457 -3.644 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.733 -10.502 -2.754 1.00 0.00 C ATOM 707 CG2 VAL A 39 -0.581 -10.155 -4.849 1.00 0.00 C ATOM 0 H VAL A 39 -1.842 -10.288 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.581 -8.287 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 39 0.790 -8.736 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.493 -11.032 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.201 -10.007 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.012 -11.212 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.190 -10.674 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.323 -10.875 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.064 -9.414 -5.485 1.00 0.00 H new ATOM 717 N LEU A 40 -1.764 -6.434 -2.894 1.00 0.00 N ATOM 718 CA LEU A 40 -2.293 -5.180 -3.497 1.00 0.00 C ATOM 719 C LEU A 40 -1.502 -4.864 -4.765 1.00 0.00 C ATOM 720 O LEU A 40 -1.985 -4.234 -5.682 1.00 0.00 O ATOM 721 CB LEU A 40 -2.013 -4.127 -2.422 1.00 0.00 C ATOM 722 CG LEU A 40 -3.193 -3.980 -1.453 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.411 -5.270 -0.662 1.00 0.00 C ATOM 724 CD2 LEU A 40 -2.871 -2.866 -0.463 1.00 0.00 C ATOM 0 H LEU A 40 -1.555 -6.363 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.346 -5.232 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.117 -4.404 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.810 -3.167 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.092 -3.756 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.253 -5.142 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.623 -6.088 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.513 -5.501 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.700 -2.748 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.966 -3.120 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.716 -1.932 -1.004 1.00 0.00 H new ATOM 736 N SER A 41 -0.276 -5.304 -4.802 1.00 0.00 N ATOM 737 CA SER A 41 0.593 -5.052 -5.987 1.00 0.00 C ATOM 738 C SER A 41 -0.134 -5.401 -7.289 1.00 0.00 C ATOM 739 O SER A 41 -0.078 -6.522 -7.752 1.00 0.00 O ATOM 740 CB SER A 41 1.802 -5.962 -5.790 1.00 0.00 C ATOM 741 OG SER A 41 2.211 -5.911 -4.429 1.00 0.00 O ATOM 0 H SER A 41 0.168 -5.835 -4.052 1.00 0.00 H new ATOM 0 HA SER A 41 0.874 -4.002 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.551 -6.985 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.619 -5.647 -6.439 1.00 0.00 H new ATOM 0 HG SER A 41 2.986 -6.496 -4.298 1.00 0.00 H new ATOM 747 N THR A 42 -0.791 -4.425 -7.876 1.00 0.00 N ATOM 748 CA THR A 42 -1.536 -4.606 -9.164 1.00 0.00 C ATOM 749 C THR A 42 -2.003 -6.047 -9.388 1.00 0.00 C ATOM 750 O THR A 42 -1.785 -6.626 -10.434 1.00 0.00 O ATOM 751 CB THR A 42 -0.554 -4.190 -10.251 1.00 0.00 C ATOM 752 OG1 THR A 42 0.470 -5.167 -10.371 1.00 0.00 O ATOM 753 CG2 THR A 42 0.067 -2.831 -9.911 1.00 0.00 C ATOM 0 H THR A 42 -0.842 -3.478 -7.500 1.00 0.00 H new ATOM 0 HA THR A 42 -2.448 -4.010 -9.163 1.00 0.00 H new ATOM 0 HB THR A 42 -1.089 -4.108 -11.197 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.078 -6.018 -10.659 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.767 -2.544 -10.696 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.720 -2.080 -9.835 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.596 -2.900 -8.960 1.00 0.00 H new ATOM 761 N SER A 43 -2.648 -6.624 -8.421 1.00 0.00 N ATOM 762 CA SER A 43 -3.133 -8.023 -8.586 1.00 0.00 C ATOM 763 C SER A 43 -4.080 -8.098 -9.782 1.00 0.00 C ATOM 764 O SER A 43 -3.959 -8.958 -10.632 1.00 0.00 O ATOM 765 CB SER A 43 -3.878 -8.341 -7.292 1.00 0.00 C ATOM 766 OG SER A 43 -5.195 -7.810 -7.369 1.00 0.00 O ATOM 0 H SER A 43 -2.862 -6.191 -7.522 1.00 0.00 H new ATOM 0 HA SER A 43 -2.323 -8.729 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.916 -9.419 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.350 -7.914 -6.440 1.00 0.00 H new ATOM 0 HG SER A 43 -5.192 -6.880 -7.059 1.00 0.00 H new ATOM 772 N ALA A 44 -5.026 -7.196 -9.853 1.00 0.00 N ATOM 773 CA ALA A 44 -6.001 -7.185 -10.993 1.00 0.00 C ATOM 774 C ALA A 44 -7.134 -6.195 -10.706 1.00 0.00 C ATOM 775 O ALA A 44 -7.737 -5.645 -11.607 1.00 0.00 O ATOM 776 CB ALA A 44 -6.566 -8.608 -11.084 1.00 0.00 C ATOM 0 H ALA A 44 -5.168 -6.458 -9.164 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.521 -6.882 -11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.286 -8.662 -11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.754 -9.311 -11.269 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.061 -8.864 -10.147 1.00 0.00 H new ATOM 782 N ARG A 45 -7.434 -5.978 -9.457 1.00 0.00 N ATOM 783 CA ARG A 45 -8.541 -5.036 -9.103 1.00 0.00 C ATOM 784 C ARG A 45 -7.973 -3.699 -8.623 1.00 0.00 C ATOM 785 O ARG A 45 -8.670 -2.705 -8.564 1.00 0.00 O ATOM 786 CB ARG A 45 -9.316 -5.713 -7.962 1.00 0.00 C ATOM 787 CG ARG A 45 -9.484 -7.209 -8.246 1.00 0.00 C ATOM 788 CD ARG A 45 -10.831 -7.690 -7.700 1.00 0.00 C ATOM 789 NE ARG A 45 -10.926 -9.116 -8.118 1.00 0.00 N ATOM 790 CZ ARG A 45 -10.674 -10.067 -7.259 1.00 0.00 C ATOM 791 NH1 ARG A 45 -9.473 -10.201 -6.765 1.00 0.00 N ATOM 792 NH2 ARG A 45 -11.623 -10.884 -6.894 1.00 0.00 N ATOM 0 H ARG A 45 -6.963 -6.411 -8.663 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.178 -4.830 -9.963 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.786 -5.572 -7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.294 -5.245 -7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.429 -7.394 -9.319 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.672 -7.770 -7.784 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.875 -7.592 -6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.655 -7.103 -8.107 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.188 -9.350 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.730 -9.563 -7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.277 -10.944 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.562 -10.780 -7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.426 -11.627 -6.223 1.00 0.00 H new ATOM 806 N HIS A 46 -6.719 -3.664 -8.265 1.00 0.00 N ATOM 807 CA HIS A 46 -6.122 -2.383 -7.773 1.00 0.00 C ATOM 808 C HIS A 46 -4.781 -2.121 -8.462 1.00 0.00 C ATOM 809 O HIS A 46 -4.277 -2.953 -9.185 1.00 0.00 O ATOM 810 CB HIS A 46 -5.917 -2.563 -6.259 1.00 0.00 C ATOM 811 CG HIS A 46 -5.430 -3.953 -5.943 1.00 0.00 C ATOM 812 ND1 HIS A 46 -5.981 -4.712 -4.922 1.00 0.00 N ATOM 813 CD2 HIS A 46 -4.459 -4.735 -6.510 1.00 0.00 C ATOM 814 CE1 HIS A 46 -5.341 -5.894 -4.907 1.00 0.00 C ATOM 815 NE2 HIS A 46 -4.404 -5.961 -5.855 1.00 0.00 N ATOM 0 H HIS A 46 -6.082 -4.460 -8.290 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.769 -1.533 -7.990 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.197 -1.830 -5.896 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.855 -2.374 -5.736 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.734 -4.426 -4.297 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.831 -4.444 -7.339 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.559 -6.692 -4.213 1.00 0.00 H new ATOM 823 N GLN A 47 -4.200 -0.968 -8.246 1.00 0.00 N ATOM 824 CA GLN A 47 -2.890 -0.657 -8.888 1.00 0.00 C ATOM 825 C GLN A 47 -1.975 0.056 -7.887 1.00 0.00 C ATOM 826 O GLN A 47 -2.382 0.981 -7.218 1.00 0.00 O ATOM 827 CB GLN A 47 -3.232 0.269 -10.058 1.00 0.00 C ATOM 828 CG GLN A 47 -1.946 0.691 -10.775 1.00 0.00 C ATOM 829 CD GLN A 47 -1.326 1.890 -10.052 1.00 0.00 C ATOM 830 OE1 GLN A 47 -2.030 2.736 -9.539 1.00 0.00 O ATOM 831 NE2 GLN A 47 -0.027 1.999 -9.994 1.00 0.00 N ATOM 0 H GLN A 47 -4.578 -0.229 -7.652 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.366 -1.553 -9.220 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.898 -0.240 -10.755 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.763 1.149 -9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.240 -0.139 -10.796 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.163 0.951 -11.811 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.564 1.288 -10.425 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.397 2.795 -9.518 1.00 0.00 H new ATOM 840 N VAL A 48 -0.744 -0.365 -7.776 1.00 0.00 N ATOM 841 CA VAL A 48 0.181 0.296 -6.815 1.00 0.00 C ATOM 842 C VAL A 48 1.390 0.890 -7.554 1.00 0.00 C ATOM 843 O VAL A 48 1.657 0.574 -8.695 1.00 0.00 O ATOM 844 CB VAL A 48 0.593 -0.821 -5.828 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.982 -1.388 -6.154 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.624 -0.254 -4.414 1.00 0.00 C ATOM 0 H VAL A 48 -0.341 -1.136 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.282 1.132 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.138 -1.625 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.233 -2.170 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.977 -1.806 -7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.723 -0.591 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.914 -1.038 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.345 0.562 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.365 0.120 -4.150 1.00 0.00 H new ATOM 856 N THR A 49 2.124 1.730 -6.890 1.00 0.00 N ATOM 857 CA THR A 49 3.331 2.341 -7.513 1.00 0.00 C ATOM 858 C THR A 49 4.351 2.669 -6.419 1.00 0.00 C ATOM 859 O THR A 49 4.038 2.650 -5.247 1.00 0.00 O ATOM 860 CB THR A 49 2.834 3.616 -8.199 1.00 0.00 C ATOM 861 OG1 THR A 49 3.947 4.355 -8.683 1.00 0.00 O ATOM 862 CG2 THR A 49 2.051 4.466 -7.200 1.00 0.00 C ATOM 0 H THR A 49 1.940 2.025 -5.931 1.00 0.00 H new ATOM 0 HA THR A 49 3.820 1.677 -8.226 1.00 0.00 H new ATOM 0 HB THR A 49 2.183 3.350 -9.032 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.631 5.171 -9.124 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.699 5.373 -7.691 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.197 3.898 -6.830 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.698 4.734 -6.365 1.00 0.00 H new ATOM 870 N THR A 50 5.564 2.972 -6.783 1.00 0.00 N ATOM 871 CA THR A 50 6.585 3.302 -5.748 1.00 0.00 C ATOM 872 C THR A 50 7.610 4.287 -6.315 1.00 0.00 C ATOM 873 O THR A 50 8.127 4.105 -7.398 1.00 0.00 O ATOM 874 CB THR A 50 7.251 1.969 -5.407 1.00 0.00 C ATOM 875 OG1 THR A 50 6.276 0.935 -5.436 1.00 0.00 O ATOM 876 CG2 THR A 50 7.864 2.054 -4.010 1.00 0.00 C ATOM 0 H THR A 50 5.893 3.006 -7.748 1.00 0.00 H new ATOM 0 HA THR A 50 6.145 3.772 -4.868 1.00 0.00 H new ATOM 0 HB THR A 50 8.033 1.752 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.721 0.068 -5.539 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.340 1.105 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.608 2.850 -3.987 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.082 2.268 -3.282 1.00 0.00 H new ATOM 884 N THR A 51 7.901 5.333 -5.592 1.00 0.00 N ATOM 885 CA THR A 51 8.886 6.333 -6.089 1.00 0.00 C ATOM 886 C THR A 51 10.251 6.097 -5.431 1.00 0.00 C ATOM 887 O THR A 51 10.627 4.976 -5.150 1.00 0.00 O ATOM 888 CB THR A 51 8.313 7.694 -5.677 1.00 0.00 C ATOM 889 OG1 THR A 51 6.892 7.626 -5.640 1.00 0.00 O ATOM 890 CG2 THR A 51 8.747 8.758 -6.685 1.00 0.00 C ATOM 0 H THR A 51 7.498 5.538 -4.678 1.00 0.00 H new ATOM 0 HA THR A 51 9.038 6.268 -7.166 1.00 0.00 H new ATOM 0 HB THR A 51 8.687 7.957 -4.687 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.603 7.306 -4.760 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.339 9.725 -6.391 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.835 8.815 -6.708 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.376 8.494 -7.675 1.00 0.00 H new ATOM 898 N LYS A 52 10.998 7.139 -5.188 1.00 0.00 N ATOM 899 CA LYS A 52 12.334 6.966 -4.554 1.00 0.00 C ATOM 900 C LYS A 52 12.188 6.533 -3.093 1.00 0.00 C ATOM 901 O LYS A 52 12.567 5.440 -2.720 1.00 0.00 O ATOM 902 CB LYS A 52 12.990 8.345 -4.639 1.00 0.00 C ATOM 903 CG LYS A 52 13.147 8.746 -6.106 1.00 0.00 C ATOM 904 CD LYS A 52 14.596 9.164 -6.367 1.00 0.00 C ATOM 905 CE LYS A 52 15.418 7.934 -6.759 1.00 0.00 C ATOM 906 NZ LYS A 52 16.670 8.034 -5.956 1.00 0.00 N ATOM 0 H LYS A 52 10.740 8.103 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 52 12.925 6.196 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.383 9.081 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.964 8.327 -4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.875 7.912 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.471 9.568 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.634 9.908 -7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.018 9.628 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.880 7.013 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.634 7.928 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.286 7.224 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.165 8.917 -6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.434 8.031 -4.943 1.00 0.00 H new ATOM 920 N TYR A 53 11.652 7.383 -2.258 1.00 0.00 N ATOM 921 CA TYR A 53 11.499 7.017 -0.819 1.00 0.00 C ATOM 922 C TYR A 53 10.061 7.204 -0.368 1.00 0.00 C ATOM 923 O TYR A 53 9.791 7.479 0.781 1.00 0.00 O ATOM 924 CB TYR A 53 12.397 7.980 -0.066 1.00 0.00 C ATOM 925 CG TYR A 53 13.785 7.952 -0.655 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.105 8.812 -1.708 1.00 0.00 C ATOM 927 CD2 TYR A 53 14.743 7.063 -0.157 1.00 0.00 C ATOM 928 CE1 TYR A 53 15.386 8.791 -2.265 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.026 7.040 -0.713 1.00 0.00 C ATOM 930 CZ TYR A 53 16.349 7.905 -1.768 1.00 0.00 C ATOM 931 OH TYR A 53 17.614 7.884 -2.316 1.00 0.00 O ATOM 0 H TYR A 53 11.314 8.312 -2.509 1.00 0.00 H new ATOM 0 HA TYR A 53 11.761 5.974 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.989 8.989 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.434 7.708 0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.361 9.494 -2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.493 6.396 0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.633 9.458 -3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 53 16.768 6.356 -0.330 1.00 0.00 H new ATOM 0 HH TYR A 53 18.002 6.990 -2.209 1.00 0.00 H new ATOM 941 N LYS A 54 9.145 7.071 -1.266 1.00 0.00 N ATOM 942 CA LYS A 54 7.709 7.246 -0.905 1.00 0.00 C ATOM 943 C LYS A 54 6.841 6.396 -1.833 1.00 0.00 C ATOM 944 O LYS A 54 6.804 6.606 -3.026 1.00 0.00 O ATOM 945 CB LYS A 54 7.401 8.747 -1.076 1.00 0.00 C ATOM 946 CG LYS A 54 8.225 9.358 -2.223 1.00 0.00 C ATOM 947 CD LYS A 54 7.350 10.326 -3.021 1.00 0.00 C ATOM 948 CE LYS A 54 7.238 11.652 -2.268 1.00 0.00 C ATOM 949 NZ LYS A 54 7.022 12.678 -3.325 1.00 0.00 N ATOM 0 H LYS A 54 9.321 6.847 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 54 7.501 6.927 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.338 8.882 -1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.620 9.274 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.093 9.882 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.601 8.569 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.780 10.492 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.360 9.897 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.410 11.635 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.143 11.859 -1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.935 13.616 -2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.829 12.676 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.150 12.459 -3.848 1.00 0.00 H new ATOM 963 N SER A 55 6.141 5.435 -1.297 1.00 0.00 N ATOM 964 CA SER A 55 5.285 4.578 -2.151 1.00 0.00 C ATOM 965 C SER A 55 3.863 5.115 -2.157 1.00 0.00 C ATOM 966 O SER A 55 3.494 5.923 -1.335 1.00 0.00 O ATOM 967 CB SER A 55 5.314 3.208 -1.486 1.00 0.00 C ATOM 968 OG SER A 55 4.262 2.417 -2.015 1.00 0.00 O ATOM 0 H SER A 55 6.128 5.209 -0.302 1.00 0.00 H new ATOM 0 HA SER A 55 5.632 4.545 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.275 2.724 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.202 3.311 -0.407 1.00 0.00 H new ATOM 0 HG SER A 55 3.786 1.973 -1.282 1.00 0.00 H new ATOM 974 N THR A 56 3.062 4.659 -3.064 1.00 0.00 N ATOM 975 CA THR A 56 1.660 5.130 -3.107 1.00 0.00 C ATOM 976 C THR A 56 0.773 4.041 -3.684 1.00 0.00 C ATOM 977 O THR A 56 1.147 3.336 -4.598 1.00 0.00 O ATOM 978 CB THR A 56 1.674 6.360 -4.011 1.00 0.00 C ATOM 979 OG1 THR A 56 2.495 6.107 -5.144 1.00 0.00 O ATOM 980 CG2 THR A 56 2.225 7.549 -3.231 1.00 0.00 C ATOM 0 H THR A 56 3.316 3.979 -3.780 1.00 0.00 H new ATOM 0 HA THR A 56 1.269 5.371 -2.118 1.00 0.00 H new ATOM 0 HB THR A 56 0.661 6.582 -4.345 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.503 6.896 -5.725 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.237 8.430 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.593 7.740 -2.364 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.239 7.328 -2.899 1.00 0.00 H new ATOM 988 N PHE A 57 -0.393 3.894 -3.150 1.00 0.00 N ATOM 989 CA PHE A 57 -1.312 2.850 -3.653 1.00 0.00 C ATOM 990 C PHE A 57 -2.606 3.510 -4.115 1.00 0.00 C ATOM 991 O PHE A 57 -2.982 4.544 -3.623 1.00 0.00 O ATOM 992 CB PHE A 57 -1.535 1.946 -2.437 1.00 0.00 C ATOM 993 CG PHE A 57 -2.462 0.797 -2.765 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.479 0.229 -4.045 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.302 0.293 -1.765 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.339 -0.841 -4.323 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.158 -0.776 -2.042 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.178 -1.344 -3.321 1.00 0.00 C ATOM 0 H PHE A 57 -0.755 4.456 -2.379 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.929 2.288 -4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.578 1.556 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.954 2.531 -1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.830 0.616 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.288 0.731 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.355 -1.278 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.804 -1.164 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.840 -2.170 -3.535 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.282 2.946 -5.069 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.541 3.580 -5.549 1.00 0.00 C ATOM 1010 C GLU A 58 -5.540 2.487 -5.946 1.00 0.00 C ATOM 1011 O GLU A 58 -5.209 1.562 -6.661 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.099 4.437 -6.757 1.00 0.00 C ATOM 1013 CG GLU A 58 -5.214 4.558 -7.817 1.00 0.00 C ATOM 1014 CD GLU A 58 -6.379 5.385 -7.265 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -7.211 4.820 -6.577 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -6.427 6.570 -7.551 1.00 0.00 O ATOM 0 H GLU A 58 -3.022 2.078 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.043 4.191 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.817 5.432 -6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.213 3.994 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.820 5.027 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.565 3.566 -8.102 1.00 0.00 H new ATOM 1023 N ILE A 59 -6.760 2.593 -5.505 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.765 1.557 -5.889 1.00 0.00 C ATOM 1025 C ILE A 59 -9.009 2.215 -6.478 1.00 0.00 C ATOM 1026 O ILE A 59 -9.579 3.129 -5.914 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.131 0.802 -4.615 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -6.858 0.428 -3.842 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -8.896 -0.471 -4.994 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -7.216 -0.452 -2.641 1.00 0.00 C ATOM 0 H ILE A 59 -7.105 3.340 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.357 0.884 -6.643 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.754 1.435 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.166 -0.101 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.349 1.331 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.162 -1.018 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.803 -0.203 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.268 -1.099 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.308 -0.713 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.891 0.092 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.705 -1.362 -2.989 1.00 0.00 H new ATOM 1042 N SER A 60 -9.428 1.741 -7.610 1.00 0.00 N ATOM 1043 CA SER A 60 -10.641 2.307 -8.270 1.00 0.00 C ATOM 1044 C SER A 60 -11.334 1.236 -9.126 1.00 0.00 C ATOM 1045 O SER A 60 -12.152 1.541 -9.971 1.00 0.00 O ATOM 1046 CB SER A 60 -10.119 3.437 -9.157 1.00 0.00 C ATOM 1047 OG SER A 60 -9.410 4.377 -8.358 1.00 0.00 O ATOM 0 H SER A 60 -8.981 0.977 -8.117 1.00 0.00 H new ATOM 0 HA SER A 60 -11.375 2.659 -7.545 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.465 3.034 -9.930 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.949 3.928 -9.665 1.00 0.00 H new ATOM 0 HG SER A 60 -9.678 5.286 -8.607 1.00 0.00 H new ATOM 1053 N SER A 61 -11.002 -0.012 -8.928 1.00 0.00 N ATOM 1054 CA SER A 61 -11.626 -1.098 -9.743 1.00 0.00 C ATOM 1055 C SER A 61 -12.118 -2.244 -8.847 1.00 0.00 C ATOM 1056 O SER A 61 -12.662 -3.220 -9.324 1.00 0.00 O ATOM 1057 CB SER A 61 -10.492 -1.576 -10.637 1.00 0.00 C ATOM 1058 OG SER A 61 -10.676 -2.948 -10.965 1.00 0.00 O ATOM 0 H SER A 61 -10.324 -0.328 -8.235 1.00 0.00 H new ATOM 0 HA SER A 61 -12.496 -0.753 -10.302 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.459 -0.977 -11.547 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.536 -1.440 -10.131 1.00 0.00 H new ATOM 0 HG SER A 61 -11.594 -3.215 -10.752 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.916 -2.137 -7.559 1.00 0.00 N ATOM 1065 CA VAL A 62 -12.352 -3.218 -6.620 1.00 0.00 C ATOM 1066 C VAL A 62 -13.751 -3.742 -6.978 1.00 0.00 C ATOM 1067 O VAL A 62 -14.585 -3.019 -7.486 1.00 0.00 O ATOM 1068 CB VAL A 62 -12.352 -2.549 -5.241 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -13.498 -1.540 -5.146 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -12.519 -3.615 -4.156 1.00 0.00 C ATOM 0 H VAL A 62 -11.463 -1.340 -7.112 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.694 -4.086 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.406 -2.027 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.489 -1.071 -4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.375 -0.776 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.448 -2.053 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.519 -3.139 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.462 -4.140 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.695 -4.326 -4.214 1.00 0.00 H new ATOM 1130 N GLU A 67 -13.126 -6.333 1.272 1.00 0.00 N ATOM 1131 CA GLU A 67 -13.243 -5.570 2.568 1.00 0.00 C ATOM 1132 C GLU A 67 -12.176 -4.467 2.695 1.00 0.00 C ATOM 1133 O GLU A 67 -11.725 -3.919 1.707 1.00 0.00 O ATOM 1134 CB GLU A 67 -13.114 -6.636 3.668 1.00 0.00 C ATOM 1135 CG GLU A 67 -11.883 -7.513 3.431 1.00 0.00 C ATOM 1136 CD GLU A 67 -12.251 -8.677 2.507 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -13.286 -9.283 2.734 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -11.494 -8.941 1.590 1.00 0.00 O ATOM 0 HA GLU A 67 -14.190 -5.035 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.040 -6.153 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.010 -7.256 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.083 -6.921 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.507 -7.894 4.381 1.00 0.00 H new ATOM 1145 N GLY A 68 -11.785 -4.106 3.891 1.00 0.00 N ATOM 1146 CA GLY A 68 -10.768 -3.028 4.029 1.00 0.00 C ATOM 1147 C GLY A 68 -9.848 -3.287 5.205 1.00 0.00 C ATOM 1148 O GLY A 68 -10.128 -2.922 6.308 1.00 0.00 O ATOM 0 H GLY A 68 -12.123 -4.507 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.181 -2.960 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.268 -2.068 4.160 1.00 0.00 H new ATOM 1152 N ASN A 69 -8.757 -3.920 4.952 1.00 0.00 N ATOM 1153 CA ASN A 69 -7.752 -4.209 6.011 1.00 0.00 C ATOM 1154 C ASN A 69 -6.413 -4.585 5.350 1.00 0.00 C ATOM 1155 O ASN A 69 -5.874 -5.638 5.619 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.332 -5.377 6.768 1.00 0.00 C ATOM 1157 CG ASN A 69 -8.912 -4.900 8.099 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -8.210 -4.335 8.914 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -10.171 -5.111 8.357 1.00 0.00 N ATOM 0 H ASN A 69 -8.502 -4.265 4.026 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.556 -3.361 6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.110 -5.856 6.174 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.560 -6.126 6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.569 -4.802 9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.759 -5.585 7.672 1.00 0.00 H new ATOM 1166 N TYR A 70 -5.894 -3.782 4.463 1.00 0.00 N ATOM 1167 CA TYR A 70 -4.621 -4.173 3.761 1.00 0.00 C ATOM 1168 C TYR A 70 -3.383 -3.700 4.512 1.00 0.00 C ATOM 1169 O TYR A 70 -3.476 -3.055 5.523 1.00 0.00 O ATOM 1170 CB TYR A 70 -4.668 -3.464 2.407 1.00 0.00 C ATOM 1171 CG TYR A 70 -5.776 -4.010 1.537 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -6.096 -5.371 1.550 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -6.470 -3.138 0.698 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -7.115 -5.859 0.724 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -7.490 -3.622 -0.130 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.813 -4.984 -0.117 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.816 -5.463 -0.935 1.00 0.00 O ATOM 0 H TYR A 70 -6.285 -2.880 4.190 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.554 -5.258 3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.816 -2.395 2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.711 -3.584 1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.557 -6.046 2.198 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.220 -2.087 0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.363 -6.910 0.735 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.027 -2.945 -0.778 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.198 -4.723 -1.452 1.00 0.00 H new ATOM 1187 N SER A 71 -2.213 -4.002 4.001 1.00 0.00 N ATOM 1188 CA SER A 71 -0.971 -3.531 4.677 1.00 0.00 C ATOM 1189 C SER A 71 0.134 -3.286 3.641 1.00 0.00 C ATOM 1190 O SER A 71 -0.069 -3.459 2.457 1.00 0.00 O ATOM 1191 CB SER A 71 -0.558 -4.626 5.658 1.00 0.00 C ATOM 1192 OG SER A 71 -1.562 -5.634 5.722 1.00 0.00 O ATOM 0 H SER A 71 -2.069 -4.549 3.153 1.00 0.00 H new ATOM 0 HA SER A 71 -1.140 -2.590 5.201 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.389 -5.066 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.400 -4.197 6.647 1.00 0.00 H new ATOM 0 HG SER A 71 -1.531 -6.179 4.908 1.00 0.00 H new ATOM 1198 N VAL A 72 1.295 -2.870 4.077 1.00 0.00 N ATOM 1199 CA VAL A 72 2.409 -2.599 3.107 1.00 0.00 C ATOM 1200 C VAL A 72 3.771 -2.845 3.764 1.00 0.00 C ATOM 1201 O VAL A 72 4.202 -2.095 4.609 1.00 0.00 O ATOM 1202 CB VAL A 72 2.259 -1.118 2.735 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.207 -0.285 4.011 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.454 -0.652 1.889 1.00 0.00 C ATOM 0 H VAL A 72 1.524 -2.706 5.057 1.00 0.00 H new ATOM 0 HA VAL A 72 2.357 -3.252 2.236 1.00 0.00 H new ATOM 0 HB VAL A 72 1.342 -0.992 2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.100 0.769 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.356 -0.599 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.127 -0.429 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.331 0.401 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.375 -0.783 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.505 -1.243 0.975 1.00 0.00 H new ATOM 1214 N VAL A 73 4.452 -3.882 3.369 1.00 0.00 N ATOM 1215 CA VAL A 73 5.786 -4.165 3.970 1.00 0.00 C ATOM 1216 C VAL A 73 6.895 -3.450 3.192 1.00 0.00 C ATOM 1217 O VAL A 73 7.314 -3.877 2.136 1.00 0.00 O ATOM 1218 CB VAL A 73 5.974 -5.686 3.888 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.846 -6.385 4.647 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.975 -6.158 2.432 1.00 0.00 C ATOM 0 H VAL A 73 4.145 -4.545 2.658 1.00 0.00 H new ATOM 0 HA VAL A 73 5.838 -3.808 4.999 1.00 0.00 H new ATOM 0 HB VAL A 73 6.935 -5.938 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.982 -7.465 4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.863 -6.074 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.887 -6.115 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.110 -7.239 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.026 -5.897 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.790 -5.675 1.893 1.00 0.00 H new ATOM 1230 N VAL A 74 7.375 -2.362 3.720 1.00 0.00 N ATOM 1231 CA VAL A 74 8.460 -1.611 3.039 1.00 0.00 C ATOM 1232 C VAL A 74 9.823 -2.156 3.515 1.00 0.00 C ATOM 1233 O VAL A 74 10.172 -2.056 4.674 1.00 0.00 O ATOM 1234 CB VAL A 74 8.202 -0.139 3.450 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.358 0.450 4.276 1.00 0.00 C ATOM 1236 CG2 VAL A 74 8.005 0.703 2.189 1.00 0.00 C ATOM 0 H VAL A 74 7.059 -1.958 4.602 1.00 0.00 H new ATOM 0 HA VAL A 74 8.475 -1.707 1.953 1.00 0.00 H new ATOM 0 HB VAL A 74 7.309 -0.121 4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.128 1.483 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.490 -0.135 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.276 0.421 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.823 1.741 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.900 0.646 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.151 0.323 1.628 1.00 0.00 H new ATOM 1246 N GLU A 75 10.586 -2.739 2.630 1.00 0.00 N ATOM 1247 CA GLU A 75 11.910 -3.295 3.039 1.00 0.00 C ATOM 1248 C GLU A 75 13.024 -2.731 2.151 1.00 0.00 C ATOM 1249 O GLU A 75 12.779 -2.259 1.060 1.00 0.00 O ATOM 1250 CB GLU A 75 11.778 -4.805 2.839 1.00 0.00 C ATOM 1251 CG GLU A 75 13.111 -5.487 3.154 1.00 0.00 C ATOM 1252 CD GLU A 75 13.018 -6.975 2.807 1.00 0.00 C ATOM 1253 OE1 GLU A 75 12.514 -7.283 1.739 1.00 0.00 O ATOM 1254 OE2 GLU A 75 13.451 -7.780 3.614 1.00 0.00 O ATOM 0 H GLU A 75 10.352 -2.855 1.644 1.00 0.00 H new ATOM 0 HA GLU A 75 12.167 -3.037 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.995 -5.200 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.482 -5.021 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.914 -5.019 2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.354 -5.363 4.209 1.00 0.00 H new ATOM 1261 N ASN A 76 14.246 -2.779 2.607 1.00 0.00 N ATOM 1262 CA ASN A 76 15.368 -2.242 1.774 1.00 0.00 C ATOM 1263 C ASN A 76 16.718 -2.823 2.252 1.00 0.00 C ATOM 1264 O ASN A 76 16.787 -3.976 2.623 1.00 0.00 O ATOM 1265 CB ASN A 76 15.279 -0.716 1.955 1.00 0.00 C ATOM 1266 CG ASN A 76 16.094 0.035 0.884 1.00 0.00 C ATOM 1267 OD1 ASN A 76 16.204 1.243 0.946 1.00 0.00 O ATOM 1268 ND2 ASN A 76 16.688 -0.613 -0.085 1.00 0.00 N ATOM 0 H ASN A 76 14.518 -3.163 3.512 1.00 0.00 H new ATOM 0 HA ASN A 76 15.297 -2.517 0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.236 -0.404 1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.644 -0.445 2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.236 -0.104 -0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.603 -1.628 -0.147 1.00 0.00 H new ATOM 1275 N SER A 77 17.779 -2.030 2.223 1.00 0.00 N ATOM 1276 CA SER A 77 19.157 -2.480 2.641 1.00 0.00 C ATOM 1277 C SER A 77 19.143 -3.718 3.536 1.00 0.00 C ATOM 1278 O SER A 77 19.711 -4.742 3.216 1.00 0.00 O ATOM 1279 CB SER A 77 19.719 -1.286 3.408 1.00 0.00 C ATOM 1280 OG SER A 77 21.035 -1.005 2.950 1.00 0.00 O ATOM 0 H SER A 77 17.741 -1.058 1.916 1.00 0.00 H new ATOM 0 HA SER A 77 19.750 -2.769 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.079 -0.415 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.732 -1.500 4.477 1.00 0.00 H new ATOM 0 HG SER A 77 21.687 -1.360 3.590 1.00 0.00 H new ATOM 1286 N GLU A 78 18.500 -3.618 4.647 1.00 0.00 N ATOM 1287 CA GLU A 78 18.433 -4.778 5.583 1.00 0.00 C ATOM 1288 C GLU A 78 17.359 -4.534 6.640 1.00 0.00 C ATOM 1289 O GLU A 78 17.408 -5.065 7.731 1.00 0.00 O ATOM 1290 CB GLU A 78 19.817 -4.862 6.229 1.00 0.00 C ATOM 1291 CG GLU A 78 20.203 -3.501 6.810 1.00 0.00 C ATOM 1292 CD GLU A 78 21.564 -3.079 6.254 1.00 0.00 C ATOM 1293 OE1 GLU A 78 22.563 -3.546 6.772 1.00 0.00 O ATOM 1294 OE2 GLU A 78 21.583 -2.297 5.318 1.00 0.00 O ATOM 0 H GLU A 78 18.010 -2.780 4.961 1.00 0.00 H new ATOM 0 HA GLU A 78 18.174 -5.705 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.815 -5.616 7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.555 -5.174 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.448 -2.757 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.243 -3.556 7.898 1.00 0.00 H new ATOM 1301 N GLY A 79 16.384 -3.737 6.315 1.00 0.00 N ATOM 1302 CA GLY A 79 15.293 -3.455 7.284 1.00 0.00 C ATOM 1303 C GLY A 79 13.969 -3.869 6.653 1.00 0.00 C ATOM 1304 O GLY A 79 13.681 -3.530 5.523 1.00 0.00 O ATOM 0 H GLY A 79 16.295 -3.266 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.459 -4.003 8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.277 -2.395 7.539 1.00 0.00 H new ATOM 1308 N LYS A 80 13.163 -4.608 7.358 1.00 0.00 N ATOM 1309 CA LYS A 80 11.868 -5.041 6.772 1.00 0.00 C ATOM 1310 C LYS A 80 10.701 -4.527 7.622 1.00 0.00 C ATOM 1311 O LYS A 80 10.151 -5.241 8.435 1.00 0.00 O ATOM 1312 CB LYS A 80 11.913 -6.569 6.798 1.00 0.00 C ATOM 1313 CG LYS A 80 11.162 -7.124 5.586 1.00 0.00 C ATOM 1314 CD LYS A 80 9.662 -6.869 5.753 1.00 0.00 C ATOM 1315 CE LYS A 80 8.891 -7.623 4.667 1.00 0.00 C ATOM 1316 NZ LYS A 80 7.738 -8.245 5.377 1.00 0.00 N ATOM 0 H LYS A 80 13.343 -4.929 8.309 1.00 0.00 H new ATOM 0 HA LYS A 80 11.722 -4.652 5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.947 -6.913 6.787 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.464 -6.941 7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.523 -6.650 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.351 -8.193 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.335 -7.196 6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.454 -5.801 5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.553 -6.947 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.516 -8.379 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.160 -8.781 4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.090 -8.888 6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.157 -7.501 5.814 1.00 0.00 H new ATOM 1330 N GLN A 81 10.315 -3.295 7.435 1.00 0.00 N ATOM 1331 CA GLN A 81 9.180 -2.739 8.226 1.00 0.00 C ATOM 1332 C GLN A 81 7.920 -2.707 7.358 1.00 0.00 C ATOM 1333 O GLN A 81 7.963 -3.038 6.193 1.00 0.00 O ATOM 1334 CB GLN A 81 9.619 -1.323 8.601 1.00 0.00 C ATOM 1335 CG GLN A 81 8.645 -0.737 9.625 1.00 0.00 C ATOM 1336 CD GLN A 81 9.293 0.455 10.326 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.473 0.440 10.615 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.561 1.493 10.615 1.00 0.00 N ATOM 0 H GLN A 81 10.737 -2.648 6.768 1.00 0.00 H new ATOM 0 HA GLN A 81 8.947 -3.334 9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.628 -1.342 9.013 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.650 -0.694 7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.726 -0.425 9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.371 -1.497 10.357 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.571 1.503 10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.978 2.296 11.085 1.00 0.00 H new ATOM 1347 N GLU A 82 6.800 -2.320 7.909 1.00 0.00 N ATOM 1348 CA GLU A 82 5.550 -2.274 7.094 1.00 0.00 C ATOM 1349 C GLU A 82 4.607 -1.190 7.613 1.00 0.00 C ATOM 1350 O GLU A 82 4.962 -0.380 8.447 1.00 0.00 O ATOM 1351 CB GLU A 82 4.922 -3.665 7.245 1.00 0.00 C ATOM 1352 CG GLU A 82 4.465 -3.881 8.693 1.00 0.00 C ATOM 1353 CD GLU A 82 2.986 -3.506 8.833 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.331 -3.352 7.815 1.00 0.00 O ATOM 1355 OE2 GLU A 82 2.533 -3.378 9.959 1.00 0.00 O ATOM 0 H GLU A 82 6.696 -2.035 8.883 1.00 0.00 H new ATOM 0 HA GLU A 82 5.751 -2.032 6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.073 -3.765 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.645 -4.431 6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.614 -4.922 8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.069 -3.275 9.369 1.00 0.00 H new ATOM 1362 N ALA A 83 3.406 -1.179 7.117 1.00 0.00 N ATOM 1363 CA ALA A 83 2.413 -0.162 7.555 1.00 0.00 C ATOM 1364 C ALA A 83 1.011 -0.703 7.306 1.00 0.00 C ATOM 1365 O ALA A 83 0.592 -0.870 6.178 1.00 0.00 O ATOM 1366 CB ALA A 83 2.683 1.062 6.680 1.00 0.00 C ATOM 0 H ALA A 83 3.064 -1.839 6.418 1.00 0.00 H new ATOM 0 HA ALA A 83 2.491 0.083 8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.988 1.859 6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.705 1.405 6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.549 0.796 5.631 1.00 0.00 H new ATOM 1372 N GLU A 84 0.288 -1.005 8.343 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.074 -1.564 8.146 1.00 0.00 C ATOM 1374 C GLU A 84 -2.125 -0.454 8.073 1.00 0.00 C ATOM 1375 O GLU A 84 -2.013 0.581 8.697 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.318 -2.454 9.365 1.00 0.00 C ATOM 1377 CG GLU A 84 -1.480 -3.905 8.907 1.00 0.00 C ATOM 1378 CD GLU A 84 -2.464 -4.627 9.828 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -2.489 -4.307 11.004 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -3.176 -5.490 9.340 1.00 0.00 O ATOM 0 H GLU A 84 0.579 -0.890 9.314 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.149 -2.116 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.484 -2.372 10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.212 -2.126 9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.840 -3.934 7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.515 -4.411 8.921 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.154 -0.689 7.313 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.255 0.291 7.167 1.00 0.00 C ATOM 1389 C PHE A 85 -5.454 -0.481 6.637 1.00 0.00 C ATOM 1390 O PHE A 85 -5.347 -1.658 6.345 1.00 0.00 O ATOM 1391 CB PHE A 85 -3.778 1.321 6.137 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.366 0.610 4.873 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -2.082 0.067 4.756 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -4.274 0.491 3.818 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -1.709 -0.598 3.582 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -3.903 -0.171 2.645 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.621 -0.717 2.527 1.00 0.00 C ATOM 0 H PHE A 85 -3.278 -1.545 6.773 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.524 0.792 8.097 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.574 2.034 5.923 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.939 1.890 6.537 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.379 0.161 5.571 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.265 0.912 3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.719 -1.019 3.490 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.606 -0.261 1.830 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.334 -1.231 1.621 1.00 0.00 H new ATOM 1407 N THR A 86 -6.585 0.134 6.508 1.00 0.00 N ATOM 1408 CA THR A 86 -7.753 -0.626 5.996 1.00 0.00 C ATOM 1409 C THR A 86 -8.459 0.161 4.896 1.00 0.00 C ATOM 1410 O THR A 86 -8.540 1.373 4.934 1.00 0.00 O ATOM 1411 CB THR A 86 -8.644 -0.842 7.205 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.177 0.401 7.643 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.833 -1.489 8.328 1.00 0.00 C ATOM 0 H THR A 86 -6.755 1.115 6.730 1.00 0.00 H new ATOM 0 HA THR A 86 -7.470 -1.577 5.544 1.00 0.00 H new ATOM 0 HB THR A 86 -9.468 -1.501 6.932 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.752 0.254 8.422 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.473 -1.644 9.196 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.443 -2.449 7.989 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.004 -0.836 8.601 1.00 0.00 H new ATOM 1421 N LEU A 87 -8.941 -0.527 3.896 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.613 0.164 2.753 1.00 0.00 C ATOM 1423 C LEU A 87 -10.992 -0.427 2.527 1.00 0.00 C ATOM 1424 O LEU A 87 -11.145 -1.482 1.948 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.694 -0.100 1.556 1.00 0.00 C ATOM 1426 CG LEU A 87 -7.831 1.139 1.273 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -7.284 1.706 2.582 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -6.656 0.751 0.378 1.00 0.00 C ATOM 0 H LEU A 87 -8.899 -1.543 3.820 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.759 1.230 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.055 -0.959 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.290 -0.347 0.677 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.447 1.890 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.673 2.584 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.113 1.988 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.675 0.951 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.045 1.631 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.051 -0.005 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.032 0.349 -0.563 1.00 0.00 H new ATOM 1440 N THR A 88 -11.996 0.238 2.995 1.00 0.00 N ATOM 1441 CA THR A 88 -13.375 -0.318 2.841 1.00 0.00 C ATOM 1442 C THR A 88 -13.999 0.077 1.507 1.00 0.00 C ATOM 1443 O THR A 88 -13.541 0.969 0.821 1.00 0.00 O ATOM 1444 CB THR A 88 -14.214 0.228 4.009 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.466 1.163 4.775 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.640 -0.939 4.902 1.00 0.00 C ATOM 0 H THR A 88 -11.934 1.136 3.475 1.00 0.00 H new ATOM 0 HA THR A 88 -13.339 -1.407 2.855 1.00 0.00 H new ATOM 0 HB THR A 88 -15.091 0.736 3.608 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.013 1.487 5.521 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.236 -0.562 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.234 -1.644 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.754 -1.443 5.289 1.00 0.00 H new ATOM 1454 N ILE A 89 -15.041 -0.614 1.135 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.715 -0.336 -0.158 1.00 0.00 C ATOM 1456 C ILE A 89 -17.228 -0.447 0.007 1.00 0.00 C ATOM 1457 O ILE A 89 -17.924 -0.932 -0.858 1.00 0.00 O ATOM 1458 CB ILE A 89 -15.202 -1.401 -1.133 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -15.368 -2.813 -0.523 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -13.734 -1.122 -1.467 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -14.280 -3.115 0.519 1.00 0.00 C ATOM 0 H ILE A 89 -15.457 -1.368 1.681 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.502 0.670 -0.519 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.787 -1.361 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.350 -2.895 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.328 -3.559 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.368 -1.879 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.646 -0.137 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.141 -1.151 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.432 -4.116 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.299 -3.059 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.337 -2.385 1.326 1.00 0.00 H new