USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 667 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 46 MET CE :methyl -143:sc= -0.417 (180deg=-0.228) USER MOD Set 1.2: B 9 ASN : amide:sc= -0.051 K(o=-0.47,f=-1.6) USER MOD Set 2.1: A 11 MET CE :methyl 173:sc= -1.62 (180deg=-1.73) USER MOD Set 2.2: A 23 MET CE :methyl 146:sc= -2.68! (180deg=-1.46!) USER MOD Single : A 8 THR OG1 : rot -28:sc= 0.0865 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 105:sc= 1.17 USER MOD Single : A 18 GLN : amide:sc= -2.65! C(o=-2.7!,f=-4.3!) USER MOD Single : A 20 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.064) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 33 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.019) USER MOD Single : A 35 MET CE :methyl -163:sc= -4.02! (180deg=-4.66!) USER MOD Single : A 36 HIS : no HE2:sc= -9.35! C(o=-9.4!,f=-8.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -2.11! USER MOD Single : A 42 LYS NZ :NH3+ -135:sc= 1.2 (180deg=-0.0788) USER MOD Single : A 44 THR OG1 : rot 86:sc= 1.17 USER MOD Single : A 52 ASN : amide:sc= -7.84! C(o=-7.8!,f=-5.8!) USER MOD Single : A 53 SER OG : rot 100:sc= 0.117 USER MOD Single : A 57 HIS : no HD1:sc= -0.33 K(o=-0.33,f=-0.91) USER MOD Single : A 58 MET CE :methyl -133:sc= -3.27! (180deg=-6.47!) USER MOD Single : A 61 SER OG : rot 76:sc= 0.416 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 92:sc= 0.122 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.21) USER MOD Single : A 77 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.077) USER MOD Single : A 79 HIS : no HD1:sc= -0.0982 X(o=-0.098,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 120:sc= -1.82! USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot -22:sc= -4.57! USER MOD Single : B 18 TYR OH : rot 180:sc= -1.77! USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.436 -7.792 -12.027 1.00 0.00 N ATOM 95 CA THR A 8 -4.248 -6.623 -11.716 1.00 0.00 C ATOM 96 C THR A 8 -5.332 -6.421 -12.761 1.00 0.00 C ATOM 97 O THR A 8 -6.469 -6.086 -12.426 1.00 0.00 O ATOM 98 CB THR A 8 -3.366 -5.372 -11.651 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.703 -5.169 -12.886 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.308 -5.431 -10.569 1.00 0.00 C ATOM 0 HA THR A 8 -4.721 -6.789 -10.748 1.00 0.00 H new ATOM 0 HB THR A 8 -4.046 -4.552 -11.421 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.580 -6.030 -13.337 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.722 -4.512 -10.583 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.788 -5.541 -9.597 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.651 -6.282 -10.748 1.00 0.00 H new ATOM 108 N ALA A 9 -4.996 -6.648 -14.022 1.00 0.00 N ATOM 109 CA ALA A 9 -5.975 -6.507 -15.085 1.00 0.00 C ATOM 110 C ALA A 9 -7.143 -7.448 -14.830 1.00 0.00 C ATOM 111 O ALA A 9 -8.261 -7.012 -14.556 1.00 0.00 O ATOM 112 CB ALA A 9 -5.339 -6.789 -16.439 1.00 0.00 C ATOM 0 H ALA A 9 -4.065 -6.927 -14.330 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.344 -5.482 -15.097 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.088 -6.678 -17.223 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.525 -6.085 -16.613 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.947 -7.806 -16.452 1.00 0.00 H new ATOM 118 N SER A 10 -6.881 -8.744 -14.950 1.00 0.00 N ATOM 119 CA SER A 10 -7.914 -9.758 -14.764 1.00 0.00 C ATOM 120 C SER A 10 -8.577 -9.663 -13.391 1.00 0.00 C ATOM 121 O SER A 10 -9.728 -10.079 -13.226 1.00 0.00 O ATOM 122 CB SER A 10 -7.321 -11.153 -14.954 1.00 0.00 C ATOM 123 OG SER A 10 -6.296 -11.408 -14.008 1.00 0.00 O ATOM 0 H SER A 10 -5.960 -9.119 -15.176 1.00 0.00 H new ATOM 0 HA SER A 10 -8.683 -9.577 -15.515 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.107 -11.902 -14.853 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.919 -11.246 -15.963 1.00 0.00 H new ATOM 0 HG SER A 10 -5.935 -12.308 -14.151 1.00 0.00 H new ATOM 129 N MET A 11 -7.873 -9.113 -12.401 1.00 0.00 N ATOM 130 CA MET A 11 -8.449 -8.994 -11.070 1.00 0.00 C ATOM 131 C MET A 11 -9.665 -8.076 -11.119 1.00 0.00 C ATOM 132 O MET A 11 -10.681 -8.338 -10.475 1.00 0.00 O ATOM 133 CB MET A 11 -7.383 -8.503 -10.071 1.00 0.00 C ATOM 134 CG MET A 11 -7.640 -7.139 -9.435 1.00 0.00 C ATOM 135 SD MET A 11 -7.962 -7.250 -7.663 1.00 0.00 S ATOM 136 CE MET A 11 -9.251 -8.491 -7.622 1.00 0.00 C ATOM 0 H MET A 11 -6.924 -8.751 -12.495 1.00 0.00 H new ATOM 0 HA MET A 11 -8.786 -9.970 -10.722 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.292 -9.242 -9.275 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.422 -8.467 -10.584 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.777 -6.495 -9.604 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.491 -6.667 -9.926 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.467 -8.757 -6.587 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.152 -8.095 -8.090 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.920 -9.377 -8.163 1.00 0.00 H new ATOM 146 N LEU A 12 -9.554 -7.010 -11.893 1.00 0.00 N ATOM 147 CA LEU A 12 -10.650 -6.062 -12.038 1.00 0.00 C ATOM 148 C LEU A 12 -11.872 -6.750 -12.633 1.00 0.00 C ATOM 149 O LEU A 12 -12.958 -6.722 -12.052 1.00 0.00 O ATOM 150 CB LEU A 12 -10.233 -4.872 -12.910 1.00 0.00 C ATOM 151 CG LEU A 12 -10.686 -3.501 -12.396 1.00 0.00 C ATOM 152 CD1 LEU A 12 -12.157 -3.272 -12.710 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.434 -3.380 -10.901 1.00 0.00 C ATOM 0 H LEU A 12 -8.719 -6.778 -12.430 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.906 -5.686 -11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.147 -4.869 -12.999 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.634 -5.018 -13.913 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.102 -2.734 -12.905 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.461 -2.294 -12.338 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.309 -3.313 -13.789 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.756 -4.045 -12.229 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.762 -2.400 -10.555 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.990 -4.156 -10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.369 -3.498 -10.701 1.00 0.00 H new ATOM 165 N ALA A 13 -11.684 -7.382 -13.786 1.00 0.00 N ATOM 166 CA ALA A 13 -12.764 -8.103 -14.455 1.00 0.00 C ATOM 167 C ALA A 13 -13.135 -9.381 -13.699 1.00 0.00 C ATOM 168 O ALA A 13 -13.963 -10.166 -14.158 1.00 0.00 O ATOM 169 CB ALA A 13 -12.355 -8.440 -15.877 1.00 0.00 C ATOM 0 H ALA A 13 -10.792 -7.410 -14.279 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.642 -7.457 -14.472 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.165 -8.978 -16.371 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.144 -7.520 -16.423 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.462 -9.065 -15.860 1.00 0.00 H new ATOM 175 N SER A 14 -12.529 -9.571 -12.532 1.00 0.00 N ATOM 176 CA SER A 14 -12.804 -10.739 -11.704 1.00 0.00 C ATOM 177 C SER A 14 -13.740 -10.393 -10.542 1.00 0.00 C ATOM 178 O SER A 14 -13.995 -11.232 -9.676 1.00 0.00 O ATOM 179 CB SER A 14 -11.501 -11.331 -11.167 1.00 0.00 C ATOM 180 OG SER A 14 -10.824 -12.065 -12.172 1.00 0.00 O ATOM 0 H SER A 14 -11.842 -8.929 -12.137 1.00 0.00 H new ATOM 0 HA SER A 14 -13.301 -11.479 -12.331 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.858 -10.531 -10.801 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.715 -11.981 -10.319 1.00 0.00 H new ATOM 0 HG SER A 14 -10.060 -11.545 -12.498 1.00 0.00 H new ATOM 186 N ALA A 15 -14.260 -9.163 -10.526 1.00 0.00 N ATOM 187 CA ALA A 15 -15.172 -8.735 -9.472 1.00 0.00 C ATOM 188 C ALA A 15 -16.418 -8.066 -10.055 1.00 0.00 C ATOM 189 O ALA A 15 -16.355 -7.436 -11.112 1.00 0.00 O ATOM 190 CB ALA A 15 -14.462 -7.795 -8.516 1.00 0.00 C ATOM 0 H ALA A 15 -14.064 -8.451 -11.230 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.495 -9.619 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.153 -7.482 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.612 -8.308 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.110 -6.919 -9.061 1.00 0.00 H new ATOM 196 N PRO A 16 -17.575 -8.207 -9.374 1.00 0.00 N ATOM 197 CA PRO A 16 -18.848 -7.632 -9.817 1.00 0.00 C ATOM 198 C PRO A 16 -18.710 -6.205 -10.352 1.00 0.00 C ATOM 199 O PRO A 16 -17.630 -5.614 -10.311 1.00 0.00 O ATOM 200 CB PRO A 16 -19.725 -7.642 -8.553 1.00 0.00 C ATOM 201 CG PRO A 16 -18.923 -8.306 -7.474 1.00 0.00 C ATOM 202 CD PRO A 16 -17.735 -8.958 -8.126 1.00 0.00 C ATOM 0 HA PRO A 16 -19.265 -8.204 -10.646 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.997 -6.627 -8.263 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.655 -8.182 -8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.600 -7.575 -6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.526 -9.047 -6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.846 -8.890 -7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.912 -10.017 -8.315 1.00 0.00 H new ATOM 210 N PRO A 17 -19.813 -5.632 -10.868 1.00 0.00 N ATOM 211 CA PRO A 17 -19.819 -4.277 -11.424 1.00 0.00 C ATOM 212 C PRO A 17 -19.162 -3.252 -10.500 1.00 0.00 C ATOM 213 O PRO A 17 -18.025 -2.853 -10.732 1.00 0.00 O ATOM 214 CB PRO A 17 -21.310 -3.973 -11.615 1.00 0.00 C ATOM 215 CG PRO A 17 -21.946 -5.308 -11.790 1.00 0.00 C ATOM 216 CD PRO A 17 -21.143 -6.269 -10.956 1.00 0.00 C ATOM 0 HA PRO A 17 -19.241 -4.217 -12.346 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.721 -3.448 -10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.477 -3.337 -12.485 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.987 -5.288 -11.467 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.943 -5.606 -12.838 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.585 -6.409 -9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -21.086 -7.252 -11.423 1.00 0.00 H new ATOM 224 N GLN A 18 -19.878 -2.823 -9.466 1.00 0.00 N ATOM 225 CA GLN A 18 -19.358 -1.833 -8.528 1.00 0.00 C ATOM 226 C GLN A 18 -18.095 -2.325 -7.827 1.00 0.00 C ATOM 227 O GLN A 18 -17.353 -1.530 -7.250 1.00 0.00 O ATOM 228 CB GLN A 18 -20.431 -1.462 -7.502 1.00 0.00 C ATOM 229 CG GLN A 18 -20.765 -2.577 -6.524 1.00 0.00 C ATOM 230 CD GLN A 18 -21.522 -3.722 -7.165 1.00 0.00 C ATOM 231 OE1 GLN A 18 -20.937 -4.741 -7.532 1.00 0.00 O ATOM 232 NE2 GLN A 18 -22.832 -3.559 -7.307 1.00 0.00 N ATOM 0 H GLN A 18 -20.822 -3.146 -9.256 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.089 -0.944 -9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -20.096 -0.589 -6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.339 -1.172 -8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.842 -2.959 -6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.359 -2.169 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.276 -2.698 -6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.394 -4.295 -7.735 1.00 0.00 H new ATOM 241 N GLU A 19 -17.836 -3.628 -7.893 1.00 0.00 N ATOM 242 CA GLU A 19 -16.639 -4.189 -7.278 1.00 0.00 C ATOM 243 C GLU A 19 -15.458 -4.084 -8.241 1.00 0.00 C ATOM 244 O GLU A 19 -14.591 -4.953 -8.275 1.00 0.00 O ATOM 245 CB GLU A 19 -16.870 -5.650 -6.879 1.00 0.00 C ATOM 246 CG GLU A 19 -17.270 -5.824 -5.421 1.00 0.00 C ATOM 247 CD GLU A 19 -16.341 -6.752 -4.662 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.117 -6.506 -4.672 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.839 -7.726 -4.056 1.00 0.00 O ATOM 0 H GLU A 19 -18.433 -4.309 -8.362 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.413 -3.620 -6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.648 -6.073 -7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.960 -6.219 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.280 -4.849 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.286 -6.215 -5.372 1.00 0.00 H new ATOM 256 N GLN A 20 -15.397 -2.978 -8.977 1.00 0.00 N ATOM 257 CA GLN A 20 -14.283 -2.735 -9.890 1.00 0.00 C ATOM 258 C GLN A 20 -13.018 -2.434 -9.096 1.00 0.00 C ATOM 259 O GLN A 20 -12.219 -3.321 -8.798 1.00 0.00 O ATOM 260 CB GLN A 20 -14.573 -1.596 -10.891 1.00 0.00 C ATOM 261 CG GLN A 20 -15.886 -0.862 -10.669 1.00 0.00 C ATOM 262 CD GLN A 20 -16.307 -0.060 -11.883 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.474 -0.075 -12.277 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.355 0.641 -12.486 1.00 0.00 N ATOM 0 H GLN A 20 -16.101 -2.240 -8.960 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.141 -3.642 -10.477 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.758 -0.874 -10.842 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.572 -2.010 -11.899 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.666 -1.583 -10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.787 -0.196 -9.812 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.402 0.623 -12.124 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.577 1.198 -13.312 1.00 0.00 H new ATOM 273 N LYS A 21 -12.866 -1.158 -8.753 1.00 0.00 N ATOM 274 CA LYS A 21 -11.726 -0.671 -7.983 1.00 0.00 C ATOM 275 C LYS A 21 -11.888 -0.976 -6.496 1.00 0.00 C ATOM 276 O LYS A 21 -11.173 -0.424 -5.659 1.00 0.00 O ATOM 277 CB LYS A 21 -11.582 0.831 -8.203 1.00 0.00 C ATOM 278 CG LYS A 21 -11.961 1.249 -9.613 1.00 0.00 C ATOM 279 CD LYS A 21 -10.876 2.081 -10.270 1.00 0.00 C ATOM 280 CE LYS A 21 -10.095 1.269 -11.286 1.00 0.00 C ATOM 281 NZ LYS A 21 -10.510 1.587 -12.679 1.00 0.00 N ATOM 0 H LYS A 21 -13.534 -0.429 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.827 -1.183 -8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.211 1.362 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.552 1.128 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.152 0.361 -10.216 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.889 1.820 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.325 2.945 -10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.197 2.463 -9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.030 1.467 -11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.244 0.206 -11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.955 1.013 -13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.521 1.374 -12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.344 2.596 -12.869 1.00 0.00 H new ATOM 295 N GLN A 22 -12.829 -1.858 -6.177 1.00 0.00 N ATOM 296 CA GLN A 22 -13.092 -2.239 -4.789 1.00 0.00 C ATOM 297 C GLN A 22 -11.887 -2.928 -4.176 1.00 0.00 C ATOM 298 O GLN A 22 -11.320 -2.454 -3.190 1.00 0.00 O ATOM 299 CB GLN A 22 -14.309 -3.165 -4.704 1.00 0.00 C ATOM 300 CG GLN A 22 -15.393 -2.668 -3.758 1.00 0.00 C ATOM 301 CD GLN A 22 -15.416 -3.415 -2.439 1.00 0.00 C ATOM 302 OE1 GLN A 22 -14.381 -3.595 -1.795 1.00 0.00 O ATOM 303 NE2 GLN A 22 -16.601 -3.851 -2.025 1.00 0.00 N ATOM 0 H GLN A 22 -13.425 -2.325 -6.861 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.297 -1.326 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.735 -3.282 -5.700 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.981 -4.152 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.240 -1.606 -3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.364 -2.768 -4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.433 -3.680 -2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.679 -4.357 -1.143 1.00 0.00 H new ATOM 312 N MET A 23 -11.500 -4.054 -4.759 1.00 0.00 N ATOM 313 CA MET A 23 -10.370 -4.813 -4.268 1.00 0.00 C ATOM 314 C MET A 23 -9.106 -3.956 -4.246 1.00 0.00 C ATOM 315 O MET A 23 -8.853 -3.245 -3.279 1.00 0.00 O ATOM 316 CB MET A 23 -10.165 -6.060 -5.131 1.00 0.00 C ATOM 317 CG MET A 23 -11.366 -6.992 -5.158 1.00 0.00 C ATOM 318 SD MET A 23 -11.444 -8.074 -3.718 1.00 0.00 S ATOM 319 CE MET A 23 -9.866 -8.915 -3.828 1.00 0.00 C ATOM 0 H MET A 23 -11.957 -4.459 -5.576 1.00 0.00 H new ATOM 0 HA MET A 23 -10.578 -5.125 -3.244 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.934 -5.751 -6.150 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.299 -6.609 -4.760 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.279 -6.399 -5.211 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.328 -7.600 -6.062 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.491 -9.117 -2.825 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.991 -9.855 -4.365 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.154 -8.285 -4.361 1.00 0.00 H new ATOM 329 N LEU A 24 -8.319 -4.038 -5.311 1.00 0.00 N ATOM 330 CA LEU A 24 -7.072 -3.287 -5.427 1.00 0.00 C ATOM 331 C LEU A 24 -7.283 -1.772 -5.433 1.00 0.00 C ATOM 332 O LEU A 24 -6.821 -1.096 -6.353 1.00 0.00 O ATOM 333 CB LEU A 24 -6.345 -3.707 -6.703 1.00 0.00 C ATOM 334 CG LEU A 24 -7.201 -3.814 -7.972 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.988 -2.537 -8.227 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.313 -4.140 -9.161 1.00 0.00 C ATOM 0 H LEU A 24 -8.525 -4.626 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.474 -3.520 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.544 -2.992 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.875 -4.674 -6.526 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.924 -4.617 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.582 -2.651 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.649 -2.342 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.298 -1.702 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.923 -4.215 -10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.573 -3.350 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.805 -5.088 -8.987 1.00 0.00 H new ATOM 348 N GLY A 25 -7.959 -1.229 -4.416 1.00 0.00 N ATOM 349 CA GLY A 25 -8.190 0.204 -4.365 1.00 0.00 C ATOM 350 C GLY A 25 -8.349 0.820 -5.742 1.00 0.00 C ATOM 351 O GLY A 25 -8.862 0.181 -6.659 1.00 0.00 O ATOM 0 H GLY A 25 -8.347 -1.755 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.086 0.403 -3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.358 0.684 -3.850 1.00 0.00 H new ATOM 355 N GLU A 26 -7.900 2.056 -5.892 1.00 0.00 N ATOM 356 CA GLU A 26 -7.987 2.737 -7.175 1.00 0.00 C ATOM 357 C GLU A 26 -6.943 2.182 -8.151 1.00 0.00 C ATOM 358 O GLU A 26 -7.244 1.330 -8.987 1.00 0.00 O ATOM 359 CB GLU A 26 -7.833 4.262 -7.024 1.00 0.00 C ATOM 360 CG GLU A 26 -7.585 4.756 -5.600 1.00 0.00 C ATOM 361 CD GLU A 26 -8.785 4.595 -4.684 1.00 0.00 C ATOM 362 OE1 GLU A 26 -9.244 3.450 -4.486 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.265 5.620 -4.155 1.00 0.00 O ATOM 0 H GLU A 26 -7.474 2.606 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.981 2.548 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.007 4.591 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.735 4.741 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.740 4.212 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.302 5.808 -5.633 1.00 0.00 H new ATOM 370 N ARG A 27 -5.717 2.697 -8.042 1.00 0.00 N ATOM 371 CA ARG A 27 -4.615 2.288 -8.917 1.00 0.00 C ATOM 372 C ARG A 27 -3.275 2.251 -8.175 1.00 0.00 C ATOM 373 O ARG A 27 -2.217 2.146 -8.801 1.00 0.00 O ATOM 374 CB ARG A 27 -4.509 3.251 -10.103 1.00 0.00 C ATOM 375 CG ARG A 27 -4.264 2.570 -11.436 1.00 0.00 C ATOM 376 CD ARG A 27 -5.341 1.550 -11.758 1.00 0.00 C ATOM 377 NE ARG A 27 -4.764 0.252 -12.077 1.00 0.00 N ATOM 378 CZ ARG A 27 -5.468 -0.790 -12.510 1.00 0.00 C ATOM 379 NH1 ARG A 27 -6.779 -0.686 -12.690 1.00 0.00 N ATOM 380 NH2 ARG A 27 -4.858 -1.939 -12.768 1.00 0.00 N ATOM 0 H ARG A 27 -5.461 3.403 -7.352 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.834 1.279 -9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.429 3.832 -10.168 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.699 3.956 -9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.227 3.321 -12.226 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.292 2.078 -11.419 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.016 1.451 -10.908 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.938 1.902 -12.600 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.757 0.134 -11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.252 0.197 -12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.313 -1.489 -13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.850 -2.023 -12.634 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.397 -2.739 -13.100 1.00 0.00 H new ATOM 394 N LEU A 28 -3.311 2.327 -6.851 1.00 0.00 N ATOM 395 CA LEU A 28 -2.083 2.296 -6.061 1.00 0.00 C ATOM 396 C LEU A 28 -1.531 0.883 -5.958 1.00 0.00 C ATOM 397 O LEU A 28 -0.335 0.659 -6.134 1.00 0.00 O ATOM 398 CB LEU A 28 -2.334 2.849 -4.664 1.00 0.00 C ATOM 399 CG LEU A 28 -2.197 4.360 -4.543 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.021 4.874 -3.377 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.737 4.755 -4.403 1.00 0.00 C ATOM 0 H LEU A 28 -4.168 2.410 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.348 2.920 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.338 2.563 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.637 2.378 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.580 4.820 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.912 5.956 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.070 4.624 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.673 4.411 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.660 5.839 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.318 4.290 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.184 4.420 -5.280 1.00 0.00 H new ATOM 413 N PHE A 29 -2.413 -0.069 -5.675 1.00 0.00 N ATOM 414 CA PHE A 29 -2.020 -1.467 -5.552 1.00 0.00 C ATOM 415 C PHE A 29 -1.130 -1.888 -6.716 1.00 0.00 C ATOM 416 O PHE A 29 -0.073 -2.472 -6.510 1.00 0.00 O ATOM 417 CB PHE A 29 -3.266 -2.349 -5.483 1.00 0.00 C ATOM 418 CG PHE A 29 -3.051 -3.704 -4.877 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.192 -3.896 -3.807 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.740 -4.790 -5.376 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.033 -5.159 -3.256 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.590 -6.045 -4.830 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.735 -6.232 -3.768 1.00 0.00 C ATOM 0 H PHE A 29 -3.407 0.103 -5.526 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.446 -1.588 -4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.031 -1.827 -4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.658 -2.477 -6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.644 -3.059 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.410 -4.653 -6.212 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.359 -5.303 -2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.142 -6.881 -5.234 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.614 -7.215 -3.337 1.00 0.00 H new ATOM 433 N PRO A 30 -1.541 -1.576 -7.956 1.00 0.00 N ATOM 434 CA PRO A 30 -0.765 -1.910 -9.153 1.00 0.00 C ATOM 435 C PRO A 30 0.623 -1.278 -9.128 1.00 0.00 C ATOM 436 O PRO A 30 1.621 -1.932 -9.440 1.00 0.00 O ATOM 437 CB PRO A 30 -1.586 -1.322 -10.309 1.00 0.00 C ATOM 438 CG PRO A 30 -2.949 -1.089 -9.755 1.00 0.00 C ATOM 439 CD PRO A 30 -2.782 -0.862 -8.282 1.00 0.00 C ATOM 0 HA PRO A 30 -0.603 -2.985 -9.237 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.145 -0.393 -10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.619 -2.008 -11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.417 -0.226 -10.229 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.595 -1.946 -9.944 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.706 0.200 -8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.629 -1.254 -7.718 1.00 0.00 H new ATOM 447 N LEU A 31 0.678 0.001 -8.767 1.00 0.00 N ATOM 448 CA LEU A 31 1.947 0.727 -8.713 1.00 0.00 C ATOM 449 C LEU A 31 2.813 0.237 -7.551 1.00 0.00 C ATOM 450 O LEU A 31 4.007 -0.058 -7.712 1.00 0.00 O ATOM 451 CB LEU A 31 1.694 2.230 -8.580 1.00 0.00 C ATOM 452 CG LEU A 31 0.595 2.795 -9.487 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.040 4.098 -8.923 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.129 3.005 -10.892 1.00 0.00 C ATOM 0 H LEU A 31 -0.138 0.556 -8.508 1.00 0.00 H new ATOM 0 HA LEU A 31 2.483 0.537 -9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.434 2.447 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.624 2.758 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.220 2.073 -9.529 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.738 4.479 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.381 3.916 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.842 4.832 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.338 3.407 -11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.963 3.707 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.470 2.053 -11.298 1.00 0.00 H new ATOM 466 N ILE A 32 2.204 0.123 -6.382 1.00 0.00 N ATOM 467 CA ILE A 32 2.928 -0.346 -5.219 1.00 0.00 C ATOM 468 C ILE A 32 3.311 -1.799 -5.418 1.00 0.00 C ATOM 469 O ILE A 32 4.422 -2.199 -5.093 1.00 0.00 O ATOM 470 CB ILE A 32 2.114 -0.179 -3.928 1.00 0.00 C ATOM 471 CG1 ILE A 32 3.030 -0.352 -2.707 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.944 -1.150 -3.909 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.172 -1.782 -2.225 1.00 0.00 C ATOM 0 H ILE A 32 1.223 0.346 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 32 3.826 0.262 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 32 1.696 0.827 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.019 0.035 -2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.644 0.257 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.377 -1.019 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.296 -0.956 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.319 -2.172 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.836 -1.810 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.193 -2.170 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.590 -2.395 -3.023 1.00 0.00 H new ATOM 485 N GLN A 33 2.399 -2.583 -5.995 1.00 0.00 N ATOM 486 CA GLN A 33 2.686 -3.981 -6.277 1.00 0.00 C ATOM 487 C GLN A 33 4.077 -4.089 -6.904 1.00 0.00 C ATOM 488 O GLN A 33 4.867 -4.972 -6.568 1.00 0.00 O ATOM 489 CB GLN A 33 1.647 -4.579 -7.232 1.00 0.00 C ATOM 490 CG GLN A 33 0.868 -5.737 -6.633 1.00 0.00 C ATOM 491 CD GLN A 33 0.140 -6.553 -7.681 1.00 0.00 C ATOM 492 OE1 GLN A 33 -1.069 -6.766 -7.590 1.00 0.00 O ATOM 493 NE2 GLN A 33 0.875 -7.014 -8.686 1.00 0.00 N ATOM 0 H GLN A 33 1.467 -2.274 -6.272 1.00 0.00 H new ATOM 0 HA GLN A 33 2.648 -4.539 -5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.948 -3.798 -7.531 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.151 -4.920 -8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.552 -6.385 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.147 -5.351 -5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.874 -6.813 -8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.440 -7.569 -9.423 1.00 0.00 H new ATOM 502 N ALA A 34 4.353 -3.157 -7.823 1.00 0.00 N ATOM 503 CA ALA A 34 5.633 -3.101 -8.522 1.00 0.00 C ATOM 504 C ALA A 34 6.799 -2.985 -7.554 1.00 0.00 C ATOM 505 O ALA A 34 7.877 -3.533 -7.788 1.00 0.00 O ATOM 506 CB ALA A 34 5.646 -1.934 -9.498 1.00 0.00 C ATOM 0 H ALA A 34 3.697 -2.426 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 34 5.750 -4.035 -9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.606 -1.902 -10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.846 -2.061 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.496 -1.002 -8.953 1.00 0.00 H new ATOM 512 N MET A 35 6.575 -2.263 -6.472 1.00 0.00 N ATOM 513 CA MET A 35 7.619 -2.063 -5.458 1.00 0.00 C ATOM 514 C MET A 35 7.438 -3.018 -4.279 1.00 0.00 C ATOM 515 O MET A 35 8.357 -3.758 -3.921 1.00 0.00 O ATOM 516 CB MET A 35 7.612 -0.620 -4.956 1.00 0.00 C ATOM 517 CG MET A 35 7.671 0.412 -6.070 1.00 0.00 C ATOM 518 SD MET A 35 6.117 1.299 -6.275 1.00 0.00 S ATOM 519 CE MET A 35 6.698 2.817 -7.023 1.00 0.00 C ATOM 0 H MET A 35 5.688 -1.804 -6.264 1.00 0.00 H new ATOM 0 HA MET A 35 8.579 -2.274 -5.930 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.711 -0.454 -4.366 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.462 -0.472 -4.289 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.467 1.126 -5.857 1.00 0.00 H new ATOM 0 HG3 MET A 35 7.929 -0.083 -7.006 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.927 3.583 -6.939 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.600 3.153 -6.511 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.922 2.642 -8.075 1.00 0.00 H new ATOM 529 N HIS A 36 6.244 -3.025 -3.704 1.00 0.00 N ATOM 530 CA HIS A 36 5.929 -3.920 -2.595 1.00 0.00 C ATOM 531 C HIS A 36 6.834 -3.707 -1.383 1.00 0.00 C ATOM 532 O HIS A 36 7.299 -4.674 -0.781 1.00 0.00 O ATOM 533 CB HIS A 36 6.026 -5.378 -3.054 1.00 0.00 C ATOM 534 CG HIS A 36 4.707 -5.958 -3.442 1.00 0.00 C ATOM 535 ND1 HIS A 36 4.542 -7.256 -3.879 1.00 0.00 N ATOM 536 CD2 HIS A 36 3.480 -5.400 -3.454 1.00 0.00 C ATOM 537 CE1 HIS A 36 3.263 -7.470 -4.144 1.00 0.00 C ATOM 538 NE2 HIS A 36 2.598 -6.358 -3.893 1.00 0.00 N ATOM 0 H HIS A 36 5.474 -2.419 -3.987 1.00 0.00 H new ATOM 0 HA HIS A 36 4.911 -3.687 -2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.708 -5.441 -3.902 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.458 -5.977 -2.252 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.289 -7.943 -3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.235 -4.387 -3.171 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.837 -8.395 -4.504 1.00 0.00 H new ATOM 546 N PRO A 37 7.089 -2.454 -0.979 1.00 0.00 N ATOM 547 CA PRO A 37 7.923 -2.194 0.188 1.00 0.00 C ATOM 548 C PRO A 37 7.327 -2.836 1.437 1.00 0.00 C ATOM 549 O PRO A 37 7.871 -3.802 1.971 1.00 0.00 O ATOM 550 CB PRO A 37 7.933 -0.664 0.312 1.00 0.00 C ATOM 551 CG PRO A 37 6.777 -0.192 -0.502 1.00 0.00 C ATOM 552 CD PRO A 37 6.583 -1.214 -1.589 1.00 0.00 C ATOM 0 HA PRO A 37 8.925 -2.611 0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.833 -0.354 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.870 -0.246 -0.057 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.880 -0.101 0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.975 0.793 -0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.535 -1.304 -1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.138 -0.953 -2.490 1.00 0.00 H new ATOM 560 N THR A 38 6.224 -2.270 1.916 1.00 0.00 N ATOM 561 CA THR A 38 5.570 -2.760 3.123 1.00 0.00 C ATOM 562 C THR A 38 4.441 -3.742 2.819 1.00 0.00 C ATOM 563 O THR A 38 4.488 -4.901 3.234 1.00 0.00 O ATOM 564 CB THR A 38 5.025 -1.579 3.932 1.00 0.00 C ATOM 565 OG1 THR A 38 3.782 -1.135 3.407 1.00 0.00 O ATOM 566 CG2 THR A 38 5.969 -0.393 3.959 1.00 0.00 C ATOM 0 H THR A 38 5.763 -1.469 1.485 1.00 0.00 H new ATOM 0 HA THR A 38 6.320 -3.298 3.702 1.00 0.00 H new ATOM 0 HB THR A 38 4.906 -1.953 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.452 -0.382 3.940 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.527 0.411 4.547 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.916 -0.692 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.144 -0.044 2.941 1.00 0.00 H new ATOM 574 N LEU A 39 3.409 -3.266 2.129 1.00 0.00 N ATOM 575 CA LEU A 39 2.253 -4.099 1.815 1.00 0.00 C ATOM 576 C LEU A 39 1.332 -3.395 0.814 1.00 0.00 C ATOM 577 O LEU A 39 0.634 -2.447 1.164 1.00 0.00 O ATOM 578 CB LEU A 39 1.486 -4.427 3.109 1.00 0.00 C ATOM 579 CG LEU A 39 1.851 -3.567 4.338 1.00 0.00 C ATOM 580 CD1 LEU A 39 0.621 -2.871 4.895 1.00 0.00 C ATOM 581 CD2 LEU A 39 2.512 -4.416 5.416 1.00 0.00 C ATOM 0 H LEU A 39 3.349 -2.310 1.777 1.00 0.00 H new ATOM 0 HA LEU A 39 2.601 -5.026 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.419 -4.317 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.659 -5.474 3.357 1.00 0.00 H new ATOM 0 HG LEU A 39 2.561 -2.806 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.903 -2.271 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.191 -2.225 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.115 -3.617 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.760 -3.789 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.827 -5.204 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.423 -4.864 5.019 1.00 0.00 H new ATOM 593 N ALA A 40 1.336 -3.868 -0.432 1.00 0.00 N ATOM 594 CA ALA A 40 0.511 -3.291 -1.500 1.00 0.00 C ATOM 595 C ALA A 40 -0.963 -3.159 -1.114 1.00 0.00 C ATOM 596 O ALA A 40 -1.557 -2.100 -1.301 1.00 0.00 O ATOM 597 CB ALA A 40 0.686 -4.107 -2.775 1.00 0.00 C ATOM 0 H ALA A 40 1.907 -4.658 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 40 0.858 -2.272 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.073 -3.679 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.733 -4.091 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.377 -5.136 -2.594 1.00 0.00 H new ATOM 603 N GLY A 41 -1.566 -4.219 -0.599 1.00 0.00 N ATOM 604 CA GLY A 41 -2.972 -4.143 -0.232 1.00 0.00 C ATOM 605 C GLY A 41 -3.279 -2.950 0.663 1.00 0.00 C ATOM 606 O GLY A 41 -3.954 -2.006 0.252 1.00 0.00 O ATOM 0 H GLY A 41 -1.119 -5.120 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.577 -4.079 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.260 -5.061 0.280 1.00 0.00 H new ATOM 610 N LYS A 42 -2.800 -3.019 1.896 1.00 0.00 N ATOM 611 CA LYS A 42 -3.032 -1.970 2.889 1.00 0.00 C ATOM 612 C LYS A 42 -2.409 -0.624 2.492 1.00 0.00 C ATOM 613 O LYS A 42 -2.981 0.431 2.769 1.00 0.00 O ATOM 614 CB LYS A 42 -2.481 -2.413 4.240 1.00 0.00 C ATOM 615 CG LYS A 42 -3.537 -2.947 5.190 1.00 0.00 C ATOM 616 CD LYS A 42 -3.686 -2.058 6.413 1.00 0.00 C ATOM 617 CE LYS A 42 -4.846 -1.094 6.254 1.00 0.00 C ATOM 618 NZ LYS A 42 -6.074 -1.590 6.934 1.00 0.00 N ATOM 0 H LYS A 42 -2.241 -3.800 2.240 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.110 -1.818 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.728 -3.184 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.977 -1.569 4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.493 -3.017 4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.270 -3.956 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.842 -2.676 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.764 -1.498 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.570 -0.123 6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.052 -0.945 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.893 -1.464 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.962 -2.599 7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.225 -1.054 7.812 1.00 0.00 H new ATOM 632 N ILE A 43 -1.243 -0.655 1.850 1.00 0.00 N ATOM 633 CA ILE A 43 -0.575 0.582 1.435 1.00 0.00 C ATOM 634 C ILE A 43 -1.498 1.421 0.560 1.00 0.00 C ATOM 635 O ILE A 43 -1.547 2.646 0.672 1.00 0.00 O ATOM 636 CB ILE A 43 0.726 0.289 0.658 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.642 1.505 0.641 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.417 -0.139 -0.763 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.107 1.140 0.717 1.00 0.00 C ATOM 0 H ILE A 43 -0.744 -1.511 1.607 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.326 1.133 2.342 1.00 0.00 H new ATOM 0 HB ILE A 43 1.239 -0.525 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.462 2.076 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.391 2.154 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.348 -0.341 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.194 -1.042 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.126 0.657 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.710 2.048 0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.298 0.594 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.371 0.514 -0.136 1.00 0.00 H new ATOM 651 N THR A 44 -2.224 0.738 -0.314 1.00 0.00 N ATOM 652 CA THR A 44 -3.153 1.386 -1.228 1.00 0.00 C ATOM 653 C THR A 44 -4.060 2.365 -0.491 1.00 0.00 C ATOM 654 O THR A 44 -4.214 3.513 -0.907 1.00 0.00 O ATOM 655 CB THR A 44 -3.994 0.328 -1.946 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.164 -0.616 -2.597 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.933 0.899 -2.983 1.00 0.00 C ATOM 0 H THR A 44 -2.186 -0.277 -0.409 1.00 0.00 H new ATOM 0 HA THR A 44 -2.576 1.950 -1.961 1.00 0.00 H new ATOM 0 HB THR A 44 -4.590 -0.138 -1.161 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.918 -1.325 -1.967 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.495 0.090 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.624 1.593 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.358 1.427 -3.744 1.00 0.00 H new ATOM 665 N GLY A 45 -4.652 1.910 0.609 1.00 0.00 N ATOM 666 CA GLY A 45 -5.531 2.766 1.382 1.00 0.00 C ATOM 667 C GLY A 45 -4.824 4.002 1.881 1.00 0.00 C ATOM 668 O GLY A 45 -5.412 5.082 1.953 1.00 0.00 O ATOM 0 H GLY A 45 -4.539 0.966 0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.383 3.059 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.926 2.207 2.230 1.00 0.00 H new ATOM 672 N MET A 46 -3.555 3.844 2.221 1.00 0.00 N ATOM 673 CA MET A 46 -2.758 4.949 2.716 1.00 0.00 C ATOM 674 C MET A 46 -2.553 5.992 1.628 1.00 0.00 C ATOM 675 O MET A 46 -3.001 7.129 1.758 1.00 0.00 O ATOM 676 CB MET A 46 -1.414 4.443 3.223 1.00 0.00 C ATOM 677 CG MET A 46 -1.421 4.131 4.705 1.00 0.00 C ATOM 678 SD MET A 46 -2.186 2.544 5.082 1.00 0.00 S ATOM 679 CE MET A 46 -3.716 3.093 5.834 1.00 0.00 C ATOM 0 H MET A 46 -3.055 2.957 2.162 1.00 0.00 H new ATOM 0 HA MET A 46 -3.292 5.416 3.543 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.137 3.546 2.670 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.649 5.192 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.396 4.132 5.077 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.953 4.921 5.235 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.979 2.424 6.653 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.590 4.105 6.219 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.511 3.085 5.089 1.00 0.00 H new ATOM 689 N LEU A 47 -1.864 5.606 0.561 1.00 0.00 N ATOM 690 CA LEU A 47 -1.602 6.526 -0.523 1.00 0.00 C ATOM 691 C LEU A 47 -2.914 7.050 -1.101 1.00 0.00 C ATOM 692 O LEU A 47 -2.920 8.057 -1.809 1.00 0.00 O ATOM 693 CB LEU A 47 -0.778 5.843 -1.616 1.00 0.00 C ATOM 694 CG LEU A 47 0.652 5.438 -1.248 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.642 6.523 -1.666 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.800 5.108 0.229 1.00 0.00 C ATOM 0 H LEU A 47 -1.482 4.669 0.429 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.030 7.368 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.313 4.949 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.732 6.512 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 47 0.879 4.525 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.653 6.217 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.584 6.673 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.397 7.455 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.832 4.827 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.534 5.981 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.140 4.279 0.485 1.00 0.00 H new ATOM 708 N LEU A 48 -4.024 6.353 -0.826 1.00 0.00 N ATOM 709 CA LEU A 48 -5.340 6.747 -1.349 1.00 0.00 C ATOM 710 C LEU A 48 -5.774 8.133 -0.847 1.00 0.00 C ATOM 711 O LEU A 48 -6.966 8.440 -0.819 1.00 0.00 O ATOM 712 CB LEU A 48 -6.396 5.693 -0.957 1.00 0.00 C ATOM 713 CG LEU A 48 -7.180 5.058 -2.121 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.367 3.965 -2.790 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.504 4.479 -1.636 1.00 0.00 C ATOM 0 H LEU A 48 -4.038 5.515 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.257 6.804 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.898 4.897 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.109 6.158 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.382 5.846 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.943 3.533 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.441 4.388 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.132 3.189 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.038 4.037 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.313 3.713 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.110 5.273 -1.199 1.00 0.00 H new ATOM 727 N GLU A 49 -4.811 8.970 -0.470 1.00 0.00 N ATOM 728 CA GLU A 49 -5.101 10.316 0.007 1.00 0.00 C ATOM 729 C GLU A 49 -5.484 11.232 -1.157 1.00 0.00 C ATOM 730 O GLU A 49 -5.937 12.357 -0.949 1.00 0.00 O ATOM 731 CB GLU A 49 -3.876 10.882 0.738 1.00 0.00 C ATOM 732 CG GLU A 49 -4.214 11.689 1.982 1.00 0.00 C ATOM 733 CD GLU A 49 -3.912 13.167 1.819 1.00 0.00 C ATOM 734 OE1 GLU A 49 -2.951 13.500 1.094 1.00 0.00 O ATOM 735 OE2 GLU A 49 -4.637 13.990 2.415 1.00 0.00 O ATOM 0 H GLU A 49 -3.818 8.736 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.943 10.267 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.221 10.057 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.315 11.514 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.271 11.562 2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.650 11.298 2.829 1.00 0.00 H new ATOM 742 N ILE A 50 -5.288 10.742 -2.384 1.00 0.00 N ATOM 743 CA ILE A 50 -5.600 11.517 -3.582 1.00 0.00 C ATOM 744 C ILE A 50 -6.830 10.955 -4.316 1.00 0.00 C ATOM 745 O ILE A 50 -7.315 9.872 -3.990 1.00 0.00 O ATOM 746 CB ILE A 50 -4.371 11.565 -4.524 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.404 12.804 -5.430 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.272 10.294 -5.358 1.00 0.00 C ATOM 749 CD1 ILE A 50 -4.844 14.075 -4.731 1.00 0.00 C ATOM 0 H ILE A 50 -4.914 9.812 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.844 12.533 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.482 11.634 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.410 12.959 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.077 12.611 -6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.401 10.354 -6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.172 9.432 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.172 10.185 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.839 14.901 -5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.851 13.943 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.159 14.296 -3.913 1.00 0.00 H new ATOM 761 N ASP A 51 -7.307 11.691 -5.326 1.00 0.00 N ATOM 762 CA ASP A 51 -8.452 11.273 -6.137 1.00 0.00 C ATOM 763 C ASP A 51 -8.083 10.147 -7.106 1.00 0.00 C ATOM 764 O ASP A 51 -6.956 10.094 -7.596 1.00 0.00 O ATOM 765 CB ASP A 51 -9.000 12.467 -6.921 1.00 0.00 C ATOM 766 CG ASP A 51 -10.401 12.219 -7.448 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.124 11.401 -6.843 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.772 12.844 -8.464 1.00 0.00 O ATOM 0 H ASP A 51 -6.911 12.589 -5.602 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.215 10.894 -5.458 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.007 13.348 -6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.334 12.687 -7.756 1.00 0.00 H new ATOM 773 N ASN A 52 -9.039 9.261 -7.398 1.00 0.00 N ATOM 774 CA ASN A 52 -8.796 8.158 -8.333 1.00 0.00 C ATOM 775 C ASN A 52 -8.131 8.651 -9.621 1.00 0.00 C ATOM 776 O ASN A 52 -7.466 7.885 -10.320 1.00 0.00 O ATOM 777 CB ASN A 52 -10.102 7.440 -8.691 1.00 0.00 C ATOM 778 CG ASN A 52 -9.844 6.107 -9.377 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.698 5.758 -9.660 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.906 5.351 -9.648 1.00 0.00 N ATOM 0 H ASN A 52 -9.980 9.284 -7.005 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.125 7.461 -7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.686 7.276 -7.786 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.699 8.076 -9.345 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.785 4.448 -10.106 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.840 5.675 -9.398 1.00 0.00 H new ATOM 787 N SER A 53 -8.343 9.926 -9.943 1.00 0.00 N ATOM 788 CA SER A 53 -7.795 10.516 -11.166 1.00 0.00 C ATOM 789 C SER A 53 -6.272 10.639 -11.128 1.00 0.00 C ATOM 790 O SER A 53 -5.615 10.581 -12.169 1.00 0.00 O ATOM 791 CB SER A 53 -8.414 11.895 -11.410 1.00 0.00 C ATOM 792 OG SER A 53 -9.833 11.848 -11.349 1.00 0.00 O ATOM 0 H SER A 53 -8.891 10.572 -9.374 1.00 0.00 H new ATOM 0 HA SER A 53 -8.049 9.841 -11.984 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.040 12.599 -10.667 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.103 12.267 -12.386 1.00 0.00 H new ATOM 0 HG SER A 53 -10.133 12.165 -10.472 1.00 0.00 H new ATOM 798 N GLU A 54 -5.711 10.816 -9.939 1.00 0.00 N ATOM 799 CA GLU A 54 -4.264 10.955 -9.804 1.00 0.00 C ATOM 800 C GLU A 54 -3.568 9.609 -9.954 1.00 0.00 C ATOM 801 O GLU A 54 -2.496 9.515 -10.551 1.00 0.00 O ATOM 802 CB GLU A 54 -3.910 11.584 -8.456 1.00 0.00 C ATOM 803 CG GLU A 54 -3.402 13.011 -8.575 1.00 0.00 C ATOM 804 CD GLU A 54 -1.920 13.077 -8.884 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.562 13.039 -10.080 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.117 13.165 -7.931 1.00 0.00 O ATOM 0 H GLU A 54 -6.228 10.867 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.915 11.611 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.791 11.571 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.150 10.975 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.956 13.526 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.599 13.542 -7.644 1.00 0.00 H new ATOM 813 N LEU A 55 -4.179 8.569 -9.406 1.00 0.00 N ATOM 814 CA LEU A 55 -3.611 7.232 -9.481 1.00 0.00 C ATOM 815 C LEU A 55 -3.482 6.779 -10.931 1.00 0.00 C ATOM 816 O LEU A 55 -2.565 6.034 -11.277 1.00 0.00 O ATOM 817 CB LEU A 55 -4.457 6.247 -8.677 1.00 0.00 C ATOM 818 CG LEU A 55 -4.602 6.591 -7.192 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.901 7.326 -6.936 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.545 5.332 -6.355 1.00 0.00 C ATOM 0 H LEU A 55 -5.066 8.625 -8.906 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.611 7.259 -9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.450 6.195 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.016 5.254 -8.765 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.775 7.243 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.983 7.561 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.916 8.250 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.740 6.697 -7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.649 5.591 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.356 4.664 -6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.589 4.833 -6.513 1.00 0.00 H new ATOM 832 N LEU A 56 -4.391 7.248 -11.782 1.00 0.00 N ATOM 833 CA LEU A 56 -4.350 6.901 -13.200 1.00 0.00 C ATOM 834 C LEU A 56 -3.111 7.509 -13.850 1.00 0.00 C ATOM 835 O LEU A 56 -2.391 6.840 -14.590 1.00 0.00 O ATOM 836 CB LEU A 56 -5.609 7.397 -13.916 1.00 0.00 C ATOM 837 CG LEU A 56 -6.782 6.410 -13.930 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.943 6.946 -13.103 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.232 6.122 -15.357 1.00 0.00 C ATOM 0 H LEU A 56 -5.159 7.865 -11.517 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.307 5.815 -13.287 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.938 8.321 -13.441 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.349 7.643 -14.946 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.443 5.475 -13.484 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.766 6.232 -13.125 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.618 7.094 -12.073 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.277 7.897 -13.518 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.065 5.419 -15.341 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.549 7.050 -15.833 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.404 5.690 -15.919 1.00 0.00 H new ATOM 851 N HIS A 57 -2.871 8.784 -13.557 1.00 0.00 N ATOM 852 CA HIS A 57 -1.718 9.496 -14.103 1.00 0.00 C ATOM 853 C HIS A 57 -0.416 8.803 -13.709 1.00 0.00 C ATOM 854 O HIS A 57 0.469 8.605 -14.542 1.00 0.00 O ATOM 855 CB HIS A 57 -1.707 10.944 -13.607 1.00 0.00 C ATOM 856 CG HIS A 57 -2.301 11.920 -14.576 1.00 0.00 C ATOM 857 ND1 HIS A 57 -2.688 11.576 -15.854 1.00 0.00 N ATOM 858 CD2 HIS A 57 -2.573 13.240 -14.448 1.00 0.00 C ATOM 859 CE1 HIS A 57 -3.172 12.639 -16.471 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.113 13.664 -15.638 1.00 0.00 N ATOM 0 H HIS A 57 -3.460 9.347 -12.943 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.799 9.491 -15.190 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.256 11.000 -12.667 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.679 11.237 -13.394 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.398 13.847 -13.572 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.551 12.666 -17.482 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.419 14.615 -15.845 1.00 0.00 H new ATOM 868 N MET A 58 -0.309 8.431 -12.436 1.00 0.00 N ATOM 869 CA MET A 58 0.882 7.755 -11.928 1.00 0.00 C ATOM 870 C MET A 58 1.174 6.497 -12.738 1.00 0.00 C ATOM 871 O MET A 58 2.315 6.229 -13.111 1.00 0.00 O ATOM 872 CB MET A 58 0.686 7.379 -10.459 1.00 0.00 C ATOM 873 CG MET A 58 0.630 8.569 -9.515 1.00 0.00 C ATOM 874 SD MET A 58 0.553 8.071 -7.784 1.00 0.00 S ATOM 875 CE MET A 58 -1.187 8.300 -7.429 1.00 0.00 C ATOM 0 H MET A 58 -1.034 8.587 -11.736 1.00 0.00 H new ATOM 0 HA MET A 58 1.726 8.438 -12.020 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.237 6.808 -10.362 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.500 6.723 -10.151 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.509 9.195 -9.671 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.242 9.178 -9.754 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.299 8.840 -6.489 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.650 8.872 -8.233 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.673 7.328 -7.349 1.00 0.00 H new ATOM 885 N LEU A 59 0.126 5.722 -12.981 1.00 0.00 N ATOM 886 CA LEU A 59 0.249 4.474 -13.724 1.00 0.00 C ATOM 887 C LEU A 59 0.796 4.729 -15.128 1.00 0.00 C ATOM 888 O LEU A 59 1.380 3.838 -15.745 1.00 0.00 O ATOM 889 CB LEU A 59 -1.113 3.774 -13.792 1.00 0.00 C ATOM 890 CG LEU A 59 -1.250 2.698 -14.873 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.913 1.452 -14.306 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.036 3.234 -16.061 1.00 0.00 C ATOM 0 H LEU A 59 -0.823 5.936 -12.673 1.00 0.00 H new ATOM 0 HA LEU A 59 0.954 3.825 -13.204 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.316 3.318 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.882 4.529 -13.956 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.252 2.426 -15.218 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.002 0.699 -15.089 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.308 1.057 -13.490 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.905 1.706 -13.933 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.124 2.456 -16.820 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.031 3.535 -15.733 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.517 4.095 -16.482 1.00 0.00 H new ATOM 904 N GLU A 60 0.625 5.952 -15.618 1.00 0.00 N ATOM 905 CA GLU A 60 1.125 6.318 -16.939 1.00 0.00 C ATOM 906 C GLU A 60 2.351 7.227 -16.832 1.00 0.00 C ATOM 907 O GLU A 60 2.949 7.596 -17.843 1.00 0.00 O ATOM 908 CB GLU A 60 0.028 7.006 -17.750 1.00 0.00 C ATOM 909 CG GLU A 60 -1.259 6.203 -17.826 1.00 0.00 C ATOM 910 CD GLU A 60 -2.176 6.670 -18.939 1.00 0.00 C ATOM 911 OE1 GLU A 60 -1.712 7.435 -19.811 1.00 0.00 O ATOM 912 OE2 GLU A 60 -3.359 6.270 -18.940 1.00 0.00 O ATOM 0 H GLU A 60 0.146 6.704 -15.123 1.00 0.00 H new ATOM 0 HA GLU A 60 1.424 5.403 -17.451 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.185 7.979 -17.307 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.394 7.189 -18.760 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.017 5.151 -17.977 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.784 6.276 -16.874 1.00 0.00 H new ATOM 919 N SER A 61 2.723 7.584 -15.602 1.00 0.00 N ATOM 920 CA SER A 61 3.875 8.446 -15.365 1.00 0.00 C ATOM 921 C SER A 61 4.626 8.020 -14.105 1.00 0.00 C ATOM 922 O SER A 61 4.375 8.542 -13.018 1.00 0.00 O ATOM 923 CB SER A 61 3.425 9.903 -15.234 1.00 0.00 C ATOM 924 OG SER A 61 2.368 10.193 -16.134 1.00 0.00 O ATOM 0 H SER A 61 2.240 7.287 -14.754 1.00 0.00 H new ATOM 0 HA SER A 61 4.549 8.353 -16.216 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.100 10.096 -14.212 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.267 10.566 -15.431 1.00 0.00 H new ATOM 0 HG SER A 61 1.533 9.808 -15.793 1.00 0.00 H new ATOM 930 N PRO A 62 5.561 7.061 -14.234 1.00 0.00 N ATOM 931 CA PRO A 62 6.349 6.566 -13.099 1.00 0.00 C ATOM 932 C PRO A 62 6.997 7.694 -12.300 1.00 0.00 C ATOM 933 O PRO A 62 7.278 7.546 -11.112 1.00 0.00 O ATOM 934 CB PRO A 62 7.422 5.702 -13.765 1.00 0.00 C ATOM 935 CG PRO A 62 6.811 5.259 -15.047 1.00 0.00 C ATOM 936 CD PRO A 62 5.921 6.387 -15.495 1.00 0.00 C ATOM 0 HA PRO A 62 5.731 6.029 -12.380 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.336 6.270 -13.938 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.689 4.851 -13.139 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.578 5.048 -15.792 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.239 4.342 -14.910 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.439 7.061 -16.177 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.039 6.019 -16.020 1.00 0.00 H new ATOM 944 N GLU A 63 7.244 8.815 -12.967 1.00 0.00 N ATOM 945 CA GLU A 63 7.875 9.968 -12.333 1.00 0.00 C ATOM 946 C GLU A 63 7.077 10.439 -11.120 1.00 0.00 C ATOM 947 O GLU A 63 7.615 10.562 -10.020 1.00 0.00 O ATOM 948 CB GLU A 63 8.025 11.113 -13.339 1.00 0.00 C ATOM 949 CG GLU A 63 6.756 11.418 -14.121 1.00 0.00 C ATOM 950 CD GLU A 63 7.035 11.773 -15.568 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.046 12.461 -15.826 1.00 0.00 O ATOM 952 OE2 GLU A 63 6.245 11.365 -16.444 1.00 0.00 O ATOM 0 H GLU A 63 7.016 8.951 -13.952 1.00 0.00 H new ATOM 0 HA GLU A 63 8.863 9.661 -11.991 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.337 12.012 -12.807 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.821 10.865 -14.041 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.094 10.553 -14.084 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.229 12.244 -13.643 1.00 0.00 H new ATOM 959 N SER A 64 5.794 10.701 -11.329 1.00 0.00 N ATOM 960 CA SER A 64 4.920 11.160 -10.257 1.00 0.00 C ATOM 961 C SER A 64 4.519 9.993 -9.373 1.00 0.00 C ATOM 962 O SER A 64 4.318 10.144 -8.168 1.00 0.00 O ATOM 963 CB SER A 64 3.674 11.827 -10.843 1.00 0.00 C ATOM 964 OG SER A 64 3.724 13.235 -10.687 1.00 0.00 O ATOM 0 H SER A 64 5.334 10.603 -12.234 1.00 0.00 H new ATOM 0 HA SER A 64 5.459 11.890 -9.653 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.589 11.579 -11.901 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.784 11.436 -10.351 1.00 0.00 H new ATOM 0 HG SER A 64 2.917 13.636 -11.072 1.00 0.00 H new ATOM 970 N LEU A 65 4.392 8.826 -9.989 1.00 0.00 N ATOM 971 CA LEU A 65 4.001 7.630 -9.267 1.00 0.00 C ATOM 972 C LEU A 65 4.969 7.355 -8.126 1.00 0.00 C ATOM 973 O LEU A 65 4.584 7.371 -6.957 1.00 0.00 O ATOM 974 CB LEU A 65 3.960 6.424 -10.208 1.00 0.00 C ATOM 975 CG LEU A 65 3.645 5.080 -9.539 1.00 0.00 C ATOM 976 CD1 LEU A 65 4.929 4.335 -9.217 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.818 5.291 -8.276 1.00 0.00 C ATOM 0 H LEU A 65 4.554 8.685 -10.986 1.00 0.00 H new ATOM 0 HA LEU A 65 3.005 7.794 -8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.213 6.611 -10.979 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.924 6.344 -10.711 1.00 0.00 H new ATOM 0 HG LEU A 65 3.061 4.477 -10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.688 3.384 -8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.484 4.152 -10.137 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.537 4.934 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.604 4.326 -7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.376 5.912 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.881 5.786 -8.533 1.00 0.00 H new ATOM 989 N ARG A 66 6.226 7.101 -8.464 1.00 0.00 N ATOM 990 CA ARG A 66 7.237 6.819 -7.452 1.00 0.00 C ATOM 991 C ARG A 66 7.311 7.948 -6.433 1.00 0.00 C ATOM 992 O ARG A 66 7.562 7.721 -5.252 1.00 0.00 O ATOM 993 CB ARG A 66 8.603 6.617 -8.107 1.00 0.00 C ATOM 994 CG ARG A 66 9.649 6.035 -7.170 1.00 0.00 C ATOM 995 CD ARG A 66 9.991 4.599 -7.535 1.00 0.00 C ATOM 996 NE ARG A 66 11.196 4.133 -6.852 1.00 0.00 N ATOM 997 CZ ARG A 66 12.412 4.133 -7.397 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.597 4.573 -8.636 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.448 3.691 -6.698 1.00 0.00 N ATOM 0 H ARG A 66 6.569 7.084 -9.424 1.00 0.00 H new ATOM 0 HA ARG A 66 6.953 5.903 -6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.490 5.956 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.960 7.575 -8.486 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.551 6.645 -7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.281 6.073 -6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.154 3.950 -7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.133 4.523 -8.613 1.00 0.00 H new ATOM 0 HE ARG A 66 11.100 3.786 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.804 4.915 -9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.532 4.569 -9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.313 3.352 -5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.380 3.690 -7.113 1.00 0.00 H new ATOM 1013 N SER A 67 7.091 9.167 -6.906 1.00 0.00 N ATOM 1014 CA SER A 67 7.135 10.348 -6.051 1.00 0.00 C ATOM 1015 C SER A 67 6.217 10.204 -4.840 1.00 0.00 C ATOM 1016 O SER A 67 6.598 10.533 -3.718 1.00 0.00 O ATOM 1017 CB SER A 67 6.733 11.581 -6.855 1.00 0.00 C ATOM 1018 OG SER A 67 7.866 12.228 -7.403 1.00 0.00 O ATOM 0 H SER A 67 6.879 9.366 -7.884 1.00 0.00 H new ATOM 0 HA SER A 67 8.156 10.457 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.054 11.290 -7.657 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.190 12.275 -6.214 1.00 0.00 H new ATOM 0 HG SER A 67 8.042 11.875 -8.300 1.00 0.00 H new ATOM 1024 N LYS A 68 5.001 9.729 -5.073 1.00 0.00 N ATOM 1025 CA LYS A 68 4.025 9.570 -3.998 1.00 0.00 C ATOM 1026 C LYS A 68 4.300 8.304 -3.185 1.00 0.00 C ATOM 1027 O LYS A 68 4.283 8.333 -1.955 1.00 0.00 O ATOM 1028 CB LYS A 68 2.600 9.547 -4.569 1.00 0.00 C ATOM 1029 CG LYS A 68 2.430 10.386 -5.834 1.00 0.00 C ATOM 1030 CD LYS A 68 1.399 11.493 -5.657 1.00 0.00 C ATOM 1031 CE LYS A 68 1.990 12.859 -5.983 1.00 0.00 C ATOM 1032 NZ LYS A 68 1.484 13.389 -7.280 1.00 0.00 N ATOM 0 H LYS A 68 4.665 9.447 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 68 4.118 10.424 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.323 8.516 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.908 9.909 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.389 10.826 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.129 9.740 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.542 11.302 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.031 11.489 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.746 13.560 -5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.077 12.785 -6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.815 14.366 -7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.839 12.798 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.444 13.373 -7.279 1.00 0.00 H new ATOM 1046 N VAL A 69 4.564 7.200 -3.876 1.00 0.00 N ATOM 1047 CA VAL A 69 4.854 5.930 -3.214 1.00 0.00 C ATOM 1048 C VAL A 69 6.056 6.059 -2.282 1.00 0.00 C ATOM 1049 O VAL A 69 5.991 5.689 -1.110 1.00 0.00 O ATOM 1050 CB VAL A 69 5.131 4.814 -4.234 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.248 3.470 -3.534 1.00 0.00 C ATOM 1052 CG2 VAL A 69 4.039 4.780 -5.292 1.00 0.00 C ATOM 0 H VAL A 69 4.583 7.158 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 69 3.970 5.668 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 69 6.080 5.023 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.444 2.692 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.067 3.504 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.317 3.249 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.250 3.985 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.076 4.594 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.007 5.737 -5.813 1.00 0.00 H new ATOM 1062 N ASP A 70 7.148 6.598 -2.814 1.00 0.00 N ATOM 1063 CA ASP A 70 8.374 6.793 -2.037 1.00 0.00 C ATOM 1064 C ASP A 70 8.059 7.486 -0.717 1.00 0.00 C ATOM 1065 O ASP A 70 8.358 6.975 0.361 1.00 0.00 O ATOM 1066 CB ASP A 70 9.379 7.634 -2.831 1.00 0.00 C ATOM 1067 CG ASP A 70 10.814 7.191 -2.615 1.00 0.00 C ATOM 1068 OD1 ASP A 70 11.415 7.601 -1.600 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.335 6.436 -3.463 1.00 0.00 O ATOM 0 H ASP A 70 7.212 6.910 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 70 8.810 5.815 -1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.140 7.572 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.279 8.680 -2.543 1.00 0.00 H new ATOM 1074 N GLU A 71 7.447 8.655 -0.827 1.00 0.00 N ATOM 1075 CA GLU A 71 7.066 9.452 0.333 1.00 0.00 C ATOM 1076 C GLU A 71 6.283 8.623 1.339 1.00 0.00 C ATOM 1077 O GLU A 71 6.678 8.503 2.496 1.00 0.00 O ATOM 1078 CB GLU A 71 6.247 10.656 -0.131 1.00 0.00 C ATOM 1079 CG GLU A 71 7.095 11.870 -0.509 1.00 0.00 C ATOM 1080 CD GLU A 71 8.381 11.506 -1.230 1.00 0.00 C ATOM 1081 OE1 GLU A 71 9.385 11.223 -0.543 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.386 11.512 -2.478 1.00 0.00 O ATOM 0 H GLU A 71 7.200 9.079 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 71 7.969 9.800 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.644 10.364 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.555 10.940 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.506 12.532 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.339 12.429 0.394 1.00 0.00 H new ATOM 1089 N ALA A 72 5.178 8.047 0.899 1.00 0.00 N ATOM 1090 CA ALA A 72 4.361 7.225 1.777 1.00 0.00 C ATOM 1091 C ALA A 72 5.205 6.189 2.503 1.00 0.00 C ATOM 1092 O ALA A 72 5.023 5.949 3.693 1.00 0.00 O ATOM 1093 CB ALA A 72 3.268 6.559 0.982 1.00 0.00 C ATOM 0 H ALA A 72 4.827 8.132 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 72 3.909 7.869 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.659 5.944 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.642 7.320 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.711 5.930 0.210 1.00 0.00 H new ATOM 1099 N VAL A 73 6.141 5.584 1.780 1.00 0.00 N ATOM 1100 CA VAL A 73 7.017 4.584 2.373 1.00 0.00 C ATOM 1101 C VAL A 73 7.662 5.141 3.635 1.00 0.00 C ATOM 1102 O VAL A 73 7.877 4.425 4.602 1.00 0.00 O ATOM 1103 CB VAL A 73 8.112 4.125 1.393 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.921 2.984 1.993 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.500 3.714 0.062 1.00 0.00 C ATOM 0 H VAL A 73 6.311 5.767 0.791 1.00 0.00 H new ATOM 0 HA VAL A 73 6.404 3.717 2.620 1.00 0.00 H new ATOM 0 HB VAL A 73 8.787 4.962 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.690 2.673 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.392 3.318 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.261 2.143 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.289 3.393 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.801 2.893 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.970 4.562 -0.372 1.00 0.00 H new ATOM 1115 N ALA A 74 7.949 6.434 3.623 1.00 0.00 N ATOM 1116 CA ALA A 74 8.545 7.085 4.774 1.00 0.00 C ATOM 1117 C ALA A 74 7.511 7.263 5.889 1.00 0.00 C ATOM 1118 O ALA A 74 7.707 6.795 7.011 1.00 0.00 O ATOM 1119 CB ALA A 74 9.154 8.420 4.374 1.00 0.00 C ATOM 0 H ALA A 74 7.778 7.051 2.829 1.00 0.00 H new ATOM 0 HA ALA A 74 9.344 6.450 5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.597 8.895 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.925 8.257 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.377 9.066 3.965 1.00 0.00 H new ATOM 1125 N VAL A 75 6.410 7.951 5.573 1.00 0.00 N ATOM 1126 CA VAL A 75 5.351 8.197 6.554 1.00 0.00 C ATOM 1127 C VAL A 75 4.638 6.911 6.981 1.00 0.00 C ATOM 1128 O VAL A 75 4.635 6.559 8.162 1.00 0.00 O ATOM 1129 CB VAL A 75 4.277 9.180 6.032 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.949 10.211 7.103 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.713 9.868 4.748 1.00 0.00 C ATOM 0 H VAL A 75 6.230 8.346 4.650 1.00 0.00 H new ATOM 0 HA VAL A 75 5.864 8.635 7.410 1.00 0.00 H new ATOM 0 HB VAL A 75 3.382 8.602 5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.192 10.899 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.570 9.705 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.850 10.768 7.360 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.930 10.549 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.630 10.429 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.893 9.119 3.977 1.00 0.00 H new ATOM 1141 N LEU A 76 4.012 6.228 6.024 1.00 0.00 N ATOM 1142 CA LEU A 76 3.269 5.002 6.314 1.00 0.00 C ATOM 1143 C LEU A 76 4.114 4.024 7.121 1.00 0.00 C ATOM 1144 O LEU A 76 3.715 3.596 8.201 1.00 0.00 O ATOM 1145 CB LEU A 76 2.797 4.339 5.018 1.00 0.00 C ATOM 1146 CG LEU A 76 2.381 2.871 5.149 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.214 2.728 6.116 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.028 2.293 3.788 1.00 0.00 C ATOM 0 H LEU A 76 4.004 6.502 5.042 1.00 0.00 H new ATOM 0 HA LEU A 76 2.398 5.276 6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.952 4.905 4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.597 4.409 4.281 1.00 0.00 H new ATOM 0 HG LEU A 76 3.225 2.309 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.934 1.678 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.507 3.100 7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.364 3.304 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.735 1.249 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.201 2.857 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.894 2.357 3.130 1.00 0.00 H new ATOM 1160 N GLN A 77 5.276 3.670 6.589 1.00 0.00 N ATOM 1161 CA GLN A 77 6.161 2.733 7.271 1.00 0.00 C ATOM 1162 C GLN A 77 6.367 3.172 8.721 1.00 0.00 C ATOM 1163 O GLN A 77 6.565 2.344 9.611 1.00 0.00 O ATOM 1164 CB GLN A 77 7.508 2.654 6.556 1.00 0.00 C ATOM 1165 CG GLN A 77 7.983 1.238 6.289 1.00 0.00 C ATOM 1166 CD GLN A 77 8.060 0.394 7.543 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.077 0.380 8.236 1.00 0.00 O ATOM 1168 NE2 GLN A 77 6.981 -0.321 7.839 1.00 0.00 N ATOM 0 H GLN A 77 5.627 4.014 5.695 1.00 0.00 H new ATOM 0 HA GLN A 77 5.700 1.745 7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.436 3.187 5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.257 3.170 7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.308 0.762 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.966 1.273 5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.160 -0.279 7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.973 -0.913 8.670 1.00 0.00 H new ATOM 1177 N ALA A 78 6.295 4.481 8.943 1.00 0.00 N ATOM 1178 CA ALA A 78 6.452 5.048 10.276 1.00 0.00 C ATOM 1179 C ALA A 78 5.148 4.963 11.067 1.00 0.00 C ATOM 1180 O ALA A 78 5.136 4.515 12.213 1.00 0.00 O ATOM 1181 CB ALA A 78 6.922 6.492 10.185 1.00 0.00 C ATOM 0 H ALA A 78 6.128 5.172 8.211 1.00 0.00 H new ATOM 0 HA ALA A 78 7.206 4.465 10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.035 6.902 11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.881 6.531 9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.188 7.079 9.633 1.00 0.00 H new ATOM 1187 N HIS A 79 4.050 5.402 10.448 1.00 0.00 N ATOM 1188 CA HIS A 79 2.746 5.378 11.102 1.00 0.00 C ATOM 1189 C HIS A 79 2.173 3.961 11.156 1.00 0.00 C ATOM 1190 O HIS A 79 1.123 3.731 11.756 1.00 0.00 O ATOM 1191 CB HIS A 79 1.773 6.320 10.385 1.00 0.00 C ATOM 1192 CG HIS A 79 1.752 7.698 10.968 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.953 8.056 12.032 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.446 8.813 10.633 1.00 0.00 C ATOM 1195 CE1 HIS A 79 1.154 9.327 12.330 1.00 0.00 C ATOM 1196 NE2 HIS A 79 2.055 9.810 11.496 1.00 0.00 N ATOM 0 H HIS A 79 4.040 5.776 9.499 1.00 0.00 H new ATOM 0 HA HIS A 79 2.881 5.722 12.128 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.046 6.382 9.332 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.769 5.898 10.429 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.171 8.902 9.837 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.665 9.877 13.121 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.405 10.768 11.492 1.00 0.00 H new ATOM 1536 N LYS B 5 5.942 13.162 4.769 1.00 0.00 N ATOM 1537 CA LYS B 5 6.079 13.018 3.328 1.00 0.00 C ATOM 1538 C LYS B 5 4.803 13.432 2.598 1.00 0.00 C ATOM 1539 O LYS B 5 3.893 14.008 3.191 1.00 0.00 O ATOM 1540 CB LYS B 5 6.470 11.593 2.964 1.00 0.00 C ATOM 1541 CG LYS B 5 7.550 11.023 3.864 1.00 0.00 C ATOM 1542 CD LYS B 5 8.918 11.579 3.510 1.00 0.00 C ATOM 1543 CE LYS B 5 9.771 11.789 4.752 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.453 13.075 5.432 1.00 0.00 N ATOM 0 HA LYS B 5 6.875 13.688 3.004 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.587 10.956 3.017 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.817 11.571 1.931 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.319 11.255 4.904 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.563 9.937 3.776 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.425 10.895 2.830 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.802 12.526 2.982 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.613 10.963 5.445 1.00 0.00 H new ATOM 0 HE3 LYS B 5 10.825 11.775 4.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.055 13.181 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.628 13.865 4.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 8.453 13.078 5.719 1.00 0.00 H new ATOM 1558 N LEU B 6 4.762 13.153 1.302 1.00 0.00 N ATOM 1559 CA LEU B 6 3.624 13.504 0.460 1.00 0.00 C ATOM 1560 C LEU B 6 2.397 12.639 0.752 1.00 0.00 C ATOM 1561 O LEU B 6 1.279 13.148 0.818 1.00 0.00 O ATOM 1562 CB LEU B 6 4.017 13.393 -1.018 1.00 0.00 C ATOM 1563 CG LEU B 6 2.880 13.601 -2.025 1.00 0.00 C ATOM 1564 CD1 LEU B 6 2.045 12.336 -2.156 1.00 0.00 C ATOM 1565 CD2 LEU B 6 2.012 14.786 -1.621 1.00 0.00 C ATOM 0 H LEU B 6 5.515 12.678 0.804 1.00 0.00 H new ATOM 0 HA LEU B 6 3.349 14.534 0.689 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.798 14.125 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.451 12.408 -1.187 1.00 0.00 H new ATOM 0 HG LEU B 6 3.319 13.821 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.243 12.502 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.677 11.517 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.616 12.081 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.211 14.916 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.581 14.603 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.622 15.689 -1.587 1.00 0.00 H new ATOM 1577 N SER B 7 2.600 11.337 0.946 1.00 0.00 N ATOM 1578 CA SER B 7 1.491 10.444 1.249 1.00 0.00 C ATOM 1579 C SER B 7 1.611 9.921 2.675 1.00 0.00 C ATOM 1580 O SER B 7 2.610 9.304 3.038 1.00 0.00 O ATOM 1581 CB SER B 7 1.447 9.284 0.257 1.00 0.00 C ATOM 1582 OG SER B 7 0.158 9.158 -0.316 1.00 0.00 O ATOM 0 H SER B 7 3.513 10.884 0.899 1.00 0.00 H new ATOM 0 HA SER B 7 0.561 11.005 1.159 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.185 9.444 -0.529 1.00 0.00 H new ATOM 0 HB3 SER B 7 1.717 8.357 0.763 1.00 0.00 H new ATOM 0 HG SER B 7 0.220 9.267 -1.288 1.00 0.00 H new ATOM 1588 N VAL B 8 0.594 10.179 3.486 1.00 0.00 N ATOM 1589 CA VAL B 8 0.600 9.737 4.875 1.00 0.00 C ATOM 1590 C VAL B 8 -0.272 8.502 5.064 1.00 0.00 C ATOM 1591 O VAL B 8 -0.710 7.891 4.088 1.00 0.00 O ATOM 1592 CB VAL B 8 0.113 10.859 5.812 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.994 12.089 5.668 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.342 11.204 5.526 1.00 0.00 C ATOM 0 H VAL B 8 -0.244 10.690 3.208 1.00 0.00 H new ATOM 0 HA VAL B 8 1.629 9.482 5.129 1.00 0.00 H new ATOM 0 HB VAL B 8 0.182 10.504 6.840 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.637 12.873 6.336 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.022 11.833 5.926 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.956 12.445 4.639 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.667 11.998 6.198 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.440 11.540 4.494 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -1.962 10.321 5.681 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.521 8.131 6.317 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.340 6.964 6.614 1.00 0.00 C ATOM 1606 C ASN B 9 -2.829 7.256 6.392 1.00 0.00 C ATOM 1607 O ASN B 9 -3.652 7.030 7.281 1.00 0.00 O ATOM 1608 CB ASN B 9 -1.100 6.507 8.055 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.406 5.037 8.256 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.535 4.182 8.093 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.649 4.732 8.611 1.00 0.00 N ATOM 0 H ASN B 9 -0.168 8.621 7.139 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.050 6.165 5.931 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -0.062 6.699 8.325 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.720 7.099 8.729 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.913 3.758 8.759 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.340 5.472 8.735 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.167 7.781 5.210 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.550 8.130 4.883 1.00 0.00 C ATOM 1620 C ALA B 10 -5.511 6.982 5.186 1.00 0.00 C ATOM 1621 O ALA B 10 -5.095 5.914 5.627 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.650 8.532 3.420 1.00 0.00 C ATOM 0 H ALA B 10 -2.499 7.973 4.463 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.841 8.973 5.510 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.682 8.790 3.183 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.009 9.394 3.235 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.331 7.700 2.792 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.822 7.197 4.957 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.850 6.178 5.206 1.00 0.00 C ATOM 1630 C PRO B 11 -7.507 4.844 4.549 1.00 0.00 C ATOM 1631 O PRO B 11 -6.382 4.641 4.099 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.106 6.785 4.577 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.883 8.254 4.648 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.407 8.450 4.440 1.00 0.00 C ATOM 0 HA PRO B 11 -7.959 5.951 6.267 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.235 6.452 3.547 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.004 6.493 5.121 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.459 8.775 3.883 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.199 8.652 5.612 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.166 8.603 3.388 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.036 9.320 4.981 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.481 3.947 4.462 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.271 2.657 3.817 1.00 0.00 C ATOM 1644 C GLU B 12 -8.424 2.759 2.299 1.00 0.00 C ATOM 1645 O GLU B 12 -8.665 3.836 1.757 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.251 1.623 4.373 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.632 0.252 4.585 1.00 0.00 C ATOM 1648 CD GLU B 12 -9.143 -0.432 5.838 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -10.103 0.084 6.449 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -8.580 -1.484 6.210 1.00 0.00 O ATOM 0 H GLU B 12 -9.422 4.088 4.829 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.251 2.339 4.032 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.648 1.984 5.322 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.095 1.530 3.689 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.845 -0.376 3.720 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.548 0.352 4.647 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.314 1.613 1.632 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.474 1.556 0.181 1.00 0.00 C ATOM 1659 C PHE B 13 -9.845 0.982 -0.155 1.00 0.00 C ATOM 1660 O PHE B 13 -10.141 -0.176 0.143 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.354 0.750 -0.488 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.344 -0.717 -0.174 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.072 -1.179 1.105 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.584 -1.637 -1.174 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.049 -2.536 1.370 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.561 -2.989 -0.915 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.295 -3.440 0.354 1.00 0.00 C ATOM 0 H PHE B 13 -8.115 0.714 2.071 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.404 2.569 -0.214 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.436 0.873 -1.568 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.395 1.175 -0.190 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.877 -0.474 1.900 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.793 -1.291 -2.176 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.839 -2.889 2.369 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.752 -3.695 -1.710 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.278 -4.500 0.558 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.672 1.814 -0.781 1.00 0.00 N ATOM 1678 CA TYR B 14 -12.020 1.428 -1.178 1.00 0.00 C ATOM 1679 C TYR B 14 -12.189 1.499 -2.696 1.00 0.00 C ATOM 1680 O TYR B 14 -11.260 1.886 -3.407 1.00 0.00 O ATOM 1681 CB TYR B 14 -13.031 2.320 -0.459 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.556 1.694 0.812 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -14.225 0.477 0.786 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -13.363 2.311 2.042 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -14.688 -0.108 1.948 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -13.827 1.733 3.210 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.488 0.523 3.157 1.00 0.00 C ATOM 1688 OH TYR B 14 -14.946 -0.059 4.317 1.00 0.00 O ATOM 0 H TYR B 14 -10.426 2.773 -1.027 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.197 0.392 -0.889 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.563 3.276 -0.223 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.865 2.530 -1.128 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -14.386 -0.020 -0.159 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -12.843 3.256 2.087 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -15.205 -1.056 1.910 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -13.673 2.226 4.158 1.00 0.00 H new ATOM 0 HH TYR B 14 -14.723 0.514 5.080 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.379 1.136 -3.228 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.634 1.183 -4.672 1.00 0.00 C ATOM 1700 C PRO B 15 -13.673 2.608 -5.206 1.00 0.00 C ATOM 1701 O PRO B 15 -14.714 3.267 -5.195 1.00 0.00 O ATOM 1702 CB PRO B 15 -15.001 0.534 -4.821 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.661 0.737 -3.504 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.562 0.658 -2.484 1.00 0.00 C ATOM 0 HA PRO B 15 -12.846 0.682 -5.234 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.573 0.996 -5.626 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.912 -0.526 -5.060 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.165 1.703 -3.463 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.419 -0.026 -3.324 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.772 1.283 -1.616 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.424 -0.359 -2.118 1.00 0.00 H new ATOM 1712 N SER B 16 -12.532 3.070 -5.686 1.00 0.00 N ATOM 1713 CA SER B 16 -12.422 4.415 -6.228 1.00 0.00 C ATOM 1714 C SER B 16 -13.445 4.643 -7.336 1.00 0.00 C ATOM 1715 O SER B 16 -14.316 5.502 -7.218 1.00 0.00 O ATOM 1716 CB SER B 16 -11.011 4.651 -6.745 1.00 0.00 C ATOM 1717 OG SER B 16 -10.521 5.908 -6.313 1.00 0.00 O ATOM 0 H SER B 16 -11.665 2.533 -5.712 1.00 0.00 H new ATOM 0 HA SER B 16 -12.630 5.128 -5.430 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.352 3.858 -6.392 1.00 0.00 H new ATOM 0 HB3 SER B 16 -11.006 4.608 -7.834 1.00 0.00 H new ATOM 0 HG SER B 16 -11.274 6.493 -6.089 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.346 3.862 -8.407 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.280 3.991 -9.509 1.00 0.00 C ATOM 1725 C GLY B 17 -15.545 3.184 -9.291 1.00 0.00 C ATOM 1726 O GLY B 17 -15.937 2.388 -10.145 1.00 0.00 O ATOM 0 H GLY B 17 -12.635 3.142 -8.531 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.540 5.041 -9.640 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.798 3.664 -10.431 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.193 3.396 -8.149 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.429 2.692 -7.823 1.00 0.00 C ATOM 1732 C TYR B 18 -18.590 3.205 -8.677 1.00 0.00 C ATOM 1733 O TYR B 18 -19.563 3.751 -8.154 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.746 2.893 -6.339 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.568 1.790 -5.715 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -18.005 0.554 -5.430 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.901 1.995 -5.390 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.749 -0.449 -4.836 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.654 0.998 -4.801 1.00 0.00 C ATOM 1740 CZ TYR B 18 -20.073 -0.221 -4.524 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.816 -1.213 -3.928 1.00 0.00 O ATOM 0 H TYR B 18 -15.881 4.051 -7.432 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.296 1.631 -8.033 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.809 2.984 -5.790 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.278 3.837 -6.220 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.969 0.373 -5.676 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.358 2.951 -5.601 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -18.296 -1.405 -4.618 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.692 1.172 -4.559 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.728 -0.890 -3.774 1.00 0.00 H new