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 79 HIS : no HD1:sc= -0.0738 X(o=-0.57,f=-1) USER MOD Set 1.2: B 9 ASN : amide:sc= -0.499 K(o=-0.57,f=-4.1!) USER MOD Set 2.1: A 58 MET CE :methyl -115:sc= -0.313 (180deg=-2.71!) USER MOD Set 2.2: A 68 LYS NZ :NH3+ -172:sc= 0.352 (180deg=0.195) USER MOD Set 3.1: A 18 GLN :FLIP amide:sc= 1.09 F(o=-1.7,f=2.3) USER MOD Set 3.2: B 18 TYR OH : rot -73:sc= 1.18 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -139:sc= -3.48 (180deg=-7.31!) USER MOD Single : A 14 SER OG : rot -41:sc= 0.156 USER MOD Single : A 20 GLN : amide:sc= -0.0521 X(o=-0.052,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.2!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0.062) USER MOD Single : A 35 MET CE :methyl -155:sc=-0.000488 (180deg=-0.918) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -7.75! C(o=-9.2!,f=-7.7!) USER MOD Single : A 38 THR OG1 : rot 91:sc= -0.515 USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0.102 (180deg=0.0591) USER MOD Single : A 44 THR OG1 : rot 92:sc= 1.09 USER MOD Single : A 46 MET CE :methyl -148:sc= -0.0497 (180deg=-0.471) USER MOD Single : A 52 ASN : amide:sc= -10.6! C(o=-11!,f=-10!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.24) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 110:sc= -0.799! USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 67:sc= -3.12! USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.506 -7.832 -12.146 1.00 0.00 N ATOM 95 CA THR A 8 -4.340 -6.667 -11.864 1.00 0.00 C ATOM 96 C THR A 8 -5.402 -6.497 -12.939 1.00 0.00 C ATOM 97 O THR A 8 -6.543 -6.139 -12.640 1.00 0.00 O ATOM 98 CB THR A 8 -3.479 -5.397 -11.783 1.00 0.00 C ATOM 99 OG1 THR A 8 -3.193 -4.901 -13.079 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.155 -5.601 -11.071 1.00 0.00 C ATOM 0 HA THR A 8 -4.831 -6.826 -10.904 1.00 0.00 H new ATOM 0 HB THR A 8 -4.075 -4.689 -11.206 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.645 -4.092 -13.006 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.603 -4.661 -11.053 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.339 -5.933 -10.049 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.571 -6.355 -11.598 1.00 0.00 H new ATOM 108 N ALA A 9 -5.045 -6.784 -14.182 1.00 0.00 N ATOM 109 CA ALA A 9 -6.003 -6.686 -15.273 1.00 0.00 C ATOM 110 C ALA A 9 -7.179 -7.616 -15.005 1.00 0.00 C ATOM 111 O ALA A 9 -8.300 -7.167 -14.766 1.00 0.00 O ATOM 112 CB ALA A 9 -5.340 -7.025 -16.600 1.00 0.00 C ATOM 0 H ALA A 9 -4.110 -7.083 -14.459 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.369 -5.661 -15.334 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.072 -6.946 -17.403 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.521 -6.330 -16.786 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.951 -8.042 -16.563 1.00 0.00 H new ATOM 118 N SER A 10 -6.919 -8.918 -15.073 1.00 0.00 N ATOM 119 CA SER A 10 -7.959 -9.922 -14.869 1.00 0.00 C ATOM 120 C SER A 10 -8.646 -9.763 -13.513 1.00 0.00 C ATOM 121 O SER A 10 -9.807 -10.147 -13.354 1.00 0.00 O ATOM 122 CB SER A 10 -7.356 -11.325 -14.979 1.00 0.00 C ATOM 123 OG SER A 10 -7.475 -11.832 -16.299 1.00 0.00 O ATOM 0 H SER A 10 -5.995 -9.304 -15.268 1.00 0.00 H new ATOM 0 HA SER A 10 -8.712 -9.779 -15.644 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.305 -11.296 -14.691 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.859 -11.996 -14.282 1.00 0.00 H new ATOM 0 HG SER A 10 -7.081 -12.728 -16.342 1.00 0.00 H new ATOM 129 N MET A 11 -7.948 -9.192 -12.538 1.00 0.00 N ATOM 130 CA MET A 11 -8.540 -9.007 -11.222 1.00 0.00 C ATOM 131 C MET A 11 -9.742 -8.076 -11.313 1.00 0.00 C ATOM 132 O MET A 11 -10.789 -8.339 -10.724 1.00 0.00 O ATOM 133 CB MET A 11 -7.483 -8.487 -10.239 1.00 0.00 C ATOM 134 CG MET A 11 -7.749 -7.104 -9.663 1.00 0.00 C ATOM 135 SD MET A 11 -8.861 -7.152 -8.253 1.00 0.00 S ATOM 136 CE MET A 11 -7.713 -7.559 -6.936 1.00 0.00 C ATOM 0 H MET A 11 -6.990 -8.855 -12.632 1.00 0.00 H new ATOM 0 HA MET A 11 -8.897 -9.965 -10.845 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.399 -9.195 -9.414 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.518 -8.471 -10.745 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.804 -6.651 -9.362 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.176 -6.467 -10.437 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.171 -8.286 -6.265 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.804 -7.982 -7.364 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.465 -6.656 -6.378 1.00 0.00 H new ATOM 146 N LEU A 12 -9.590 -7.003 -12.067 1.00 0.00 N ATOM 147 CA LEU A 12 -10.677 -6.050 -12.246 1.00 0.00 C ATOM 148 C LEU A 12 -11.911 -6.762 -12.792 1.00 0.00 C ATOM 149 O LEU A 12 -12.977 -6.736 -12.179 1.00 0.00 O ATOM 150 CB LEU A 12 -10.252 -4.909 -13.183 1.00 0.00 C ATOM 151 CG LEU A 12 -10.640 -3.494 -12.727 1.00 0.00 C ATOM 152 CD1 LEU A 12 -12.046 -3.151 -13.189 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.535 -3.359 -11.213 1.00 0.00 C ATOM 0 H LEU A 12 -8.731 -6.768 -12.564 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.923 -5.616 -11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.170 -4.948 -13.305 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.690 -5.087 -14.165 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.941 -2.792 -13.182 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.303 -2.145 -12.857 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.093 -3.197 -14.277 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.752 -3.865 -12.765 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.815 -2.348 -10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.205 -4.075 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.510 -3.557 -10.900 1.00 0.00 H new ATOM 165 N ALA A 13 -11.747 -7.419 -13.936 1.00 0.00 N ATOM 166 CA ALA A 13 -12.836 -8.164 -14.566 1.00 0.00 C ATOM 167 C ALA A 13 -13.186 -9.434 -13.786 1.00 0.00 C ATOM 168 O ALA A 13 -14.010 -10.233 -14.226 1.00 0.00 O ATOM 169 CB ALA A 13 -12.457 -8.525 -15.989 1.00 0.00 C ATOM 0 H ALA A 13 -10.866 -7.451 -14.449 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.717 -7.522 -14.568 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.272 -9.080 -16.453 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.268 -7.614 -16.557 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.558 -9.141 -15.981 1.00 0.00 H new ATOM 175 N SER A 14 -12.573 -9.599 -12.621 1.00 0.00 N ATOM 176 CA SER A 14 -12.837 -10.756 -11.776 1.00 0.00 C ATOM 177 C SER A 14 -13.765 -10.399 -10.615 1.00 0.00 C ATOM 178 O SER A 14 -13.994 -11.216 -9.724 1.00 0.00 O ATOM 179 CB SER A 14 -11.531 -11.338 -11.238 1.00 0.00 C ATOM 180 OG SER A 14 -11.711 -12.675 -10.803 1.00 0.00 O ATOM 0 H SER A 14 -11.889 -8.946 -12.240 1.00 0.00 H new ATOM 0 HA SER A 14 -13.334 -11.505 -12.392 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.767 -11.304 -12.014 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.171 -10.728 -10.410 1.00 0.00 H new ATOM 0 HG SER A 14 -12.564 -12.752 -10.326 1.00 0.00 H new ATOM 186 N ALA A 15 -14.304 -9.181 -10.629 1.00 0.00 N ATOM 187 CA ALA A 15 -15.204 -8.739 -9.576 1.00 0.00 C ATOM 188 C ALA A 15 -16.453 -8.086 -10.164 1.00 0.00 C ATOM 189 O ALA A 15 -16.384 -7.431 -11.203 1.00 0.00 O ATOM 190 CB ALA A 15 -14.487 -7.767 -8.654 1.00 0.00 C ATOM 0 H ALA A 15 -14.131 -8.488 -11.357 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.516 -9.611 -9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.168 -7.441 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.625 -8.260 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.153 -6.902 -9.226 1.00 0.00 H new ATOM 196 N PRO A 16 -17.617 -8.272 -9.511 1.00 0.00 N ATOM 197 CA PRO A 16 -18.890 -7.711 -9.967 1.00 0.00 C ATOM 198 C PRO A 16 -18.764 -6.269 -10.467 1.00 0.00 C ATOM 199 O PRO A 16 -17.690 -5.670 -10.411 1.00 0.00 O ATOM 200 CB PRO A 16 -19.787 -7.757 -8.722 1.00 0.00 C ATOM 201 CG PRO A 16 -19.042 -8.523 -7.671 1.00 0.00 C ATOM 202 CD PRO A 16 -17.779 -9.063 -8.288 1.00 0.00 C ATOM 0 HA PRO A 16 -19.281 -8.274 -10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -20.016 -6.750 -8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.737 -8.240 -8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.806 -7.877 -6.826 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.656 -9.338 -7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.926 -8.945 -7.620 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.866 -10.127 -8.509 1.00 0.00 H new ATOM 210 N PRO A 17 -19.872 -5.689 -10.967 1.00 0.00 N ATOM 211 CA PRO A 17 -19.882 -4.316 -11.482 1.00 0.00 C ATOM 212 C PRO A 17 -19.223 -3.315 -10.531 1.00 0.00 C ATOM 213 O PRO A 17 -18.089 -2.906 -10.755 1.00 0.00 O ATOM 214 CB PRO A 17 -21.372 -4.010 -11.656 1.00 0.00 C ATOM 215 CG PRO A 17 -22.009 -5.338 -11.870 1.00 0.00 C ATOM 216 CD PRO A 17 -21.199 -6.328 -11.073 1.00 0.00 C ATOM 0 HA PRO A 17 -19.307 -4.228 -12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.779 -3.513 -10.776 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.544 -3.347 -12.504 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -23.048 -5.329 -11.539 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -22.014 -5.601 -12.928 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.637 -6.506 -10.091 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -21.140 -7.294 -11.575 1.00 0.00 H new ATOM 224 N GLN A 18 -19.942 -2.912 -9.483 1.00 0.00 N ATOM 225 CA GLN A 18 -19.424 -1.945 -8.515 1.00 0.00 C ATOM 226 C GLN A 18 -18.132 -2.425 -7.868 1.00 0.00 C ATOM 227 O GLN A 18 -17.381 -1.626 -7.311 1.00 0.00 O ATOM 228 CB GLN A 18 -20.474 -1.642 -7.440 1.00 0.00 C ATOM 229 CG GLN A 18 -21.243 -2.865 -6.961 1.00 0.00 C ATOM 230 CD GLN A 18 -22.173 -2.547 -5.805 1.00 0.00 C ATOM 231 OE1 GLN A 18 -21.705 -2.779 -4.585 1.00 0.00 O flip ATOM 232 NE2 GLN A 18 -23.299 -2.093 -6.008 1.00 0.00 N flip ATOM 0 H GLN A 18 -20.886 -3.241 -9.283 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.200 -1.029 -9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.981 -1.179 -6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.182 -0.912 -7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -21.823 -3.273 -7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.538 -3.637 -6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.619 -1.930 -6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.912 -1.880 -5.221 1.00 0.00 H new ATOM 241 N GLU A 19 -17.859 -3.721 -7.953 1.00 0.00 N ATOM 242 CA GLU A 19 -16.638 -4.260 -7.381 1.00 0.00 C ATOM 243 C GLU A 19 -15.493 -4.157 -8.377 1.00 0.00 C ATOM 244 O GLU A 19 -14.637 -5.036 -8.447 1.00 0.00 O ATOM 245 CB GLU A 19 -16.834 -5.710 -6.944 1.00 0.00 C ATOM 246 CG GLU A 19 -17.755 -5.852 -5.747 1.00 0.00 C ATOM 247 CD GLU A 19 -17.435 -7.070 -4.904 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.440 -7.761 -5.211 1.00 0.00 O ATOM 249 OE2 GLU A 19 -18.176 -7.331 -3.935 1.00 0.00 O ATOM 0 H GLU A 19 -18.460 -4.409 -8.407 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.388 -3.670 -6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.241 -6.283 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.864 -6.144 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.681 -4.958 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.787 -5.916 -6.093 1.00 0.00 H new ATOM 256 N GLN A 20 -15.457 -3.047 -9.107 1.00 0.00 N ATOM 257 CA GLN A 20 -14.375 -2.799 -10.054 1.00 0.00 C ATOM 258 C GLN A 20 -13.090 -2.525 -9.288 1.00 0.00 C ATOM 259 O GLN A 20 -12.277 -3.415 -9.044 1.00 0.00 O ATOM 260 CB GLN A 20 -14.675 -1.623 -11.011 1.00 0.00 C ATOM 261 CG GLN A 20 -15.953 -0.854 -10.721 1.00 0.00 C ATOM 262 CD GLN A 20 -16.383 -0.005 -11.900 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.544 -0.032 -12.311 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.443 0.752 -12.455 1.00 0.00 N ATOM 0 H GLN A 20 -16.160 -2.309 -9.062 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.270 -3.691 -10.671 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.837 -0.927 -10.977 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.727 -2.010 -12.029 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.749 -1.555 -10.469 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.803 -0.216 -9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.494 0.743 -12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.670 1.343 -13.255 1.00 0.00 H new ATOM 273 N LYS A 21 -12.939 -1.261 -8.905 1.00 0.00 N ATOM 274 CA LYS A 21 -11.783 -0.782 -8.154 1.00 0.00 C ATOM 275 C LYS A 21 -11.894 -1.121 -6.668 1.00 0.00 C ATOM 276 O LYS A 21 -11.201 -0.531 -5.838 1.00 0.00 O ATOM 277 CB LYS A 21 -11.632 0.730 -8.340 1.00 0.00 C ATOM 278 CG LYS A 21 -12.263 1.252 -9.627 1.00 0.00 C ATOM 279 CD LYS A 21 -11.229 1.861 -10.555 1.00 0.00 C ATOM 280 CE LYS A 21 -11.289 1.233 -11.936 1.00 0.00 C ATOM 281 NZ LYS A 21 -10.833 2.178 -12.993 1.00 0.00 N ATOM 0 H LYS A 21 -13.623 -0.532 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.899 -1.287 -8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.086 1.240 -7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.572 0.984 -8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.774 0.436 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.018 1.999 -9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.396 2.935 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.233 1.724 -10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.667 0.338 -11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.310 0.916 -12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.888 1.713 -13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.442 3.021 -12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.850 2.461 -12.805 1.00 0.00 H new ATOM 295 N GLN A 22 -12.765 -2.068 -6.338 1.00 0.00 N ATOM 296 CA GLN A 22 -12.968 -2.476 -4.946 1.00 0.00 C ATOM 297 C GLN A 22 -11.704 -3.077 -4.359 1.00 0.00 C ATOM 298 O GLN A 22 -11.140 -2.548 -3.402 1.00 0.00 O ATOM 299 CB GLN A 22 -14.114 -3.487 -4.838 1.00 0.00 C ATOM 300 CG GLN A 22 -15.333 -2.944 -4.112 1.00 0.00 C ATOM 301 CD GLN A 22 -15.637 -3.672 -2.818 1.00 0.00 C ATOM 302 OE1 GLN A 22 -15.336 -4.856 -2.667 1.00 0.00 O ATOM 303 NE2 GLN A 22 -16.239 -2.956 -1.876 1.00 0.00 N ATOM 0 H GLN A 22 -13.343 -2.569 -7.012 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.225 -1.582 -4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.407 -3.801 -5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.757 -4.376 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.178 -1.887 -3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.199 -3.012 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.469 -1.977 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.472 -3.385 -0.980 1.00 0.00 H new ATOM 312 N MET A 23 -11.267 -4.189 -4.931 1.00 0.00 N ATOM 313 CA MET A 23 -10.076 -4.861 -4.452 1.00 0.00 C ATOM 314 C MET A 23 -8.871 -3.920 -4.504 1.00 0.00 C ATOM 315 O MET A 23 -8.609 -3.211 -3.541 1.00 0.00 O ATOM 316 CB MET A 23 -9.826 -6.135 -5.263 1.00 0.00 C ATOM 317 CG MET A 23 -11.083 -6.957 -5.523 1.00 0.00 C ATOM 318 SD MET A 23 -11.139 -8.487 -4.572 1.00 0.00 S ATOM 319 CE MET A 23 -12.885 -8.872 -4.669 1.00 0.00 C ATOM 0 H MET A 23 -11.720 -4.641 -5.725 1.00 0.00 H new ATOM 0 HA MET A 23 -10.226 -5.148 -3.411 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.377 -5.864 -6.218 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.101 -6.754 -4.734 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.959 -6.355 -5.283 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.141 -7.195 -6.585 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.084 -9.796 -4.127 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.462 -8.060 -4.226 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.173 -8.995 -5.713 1.00 0.00 H new ATOM 329 N LEU A 24 -8.145 -3.906 -5.622 1.00 0.00 N ATOM 330 CA LEU A 24 -6.970 -3.035 -5.767 1.00 0.00 C ATOM 331 C LEU A 24 -7.337 -1.556 -5.697 1.00 0.00 C ATOM 332 O LEU A 24 -6.977 -0.800 -6.600 1.00 0.00 O ATOM 333 CB LEU A 24 -6.226 -3.287 -7.094 1.00 0.00 C ATOM 334 CG LEU A 24 -6.898 -4.202 -8.110 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.148 -3.548 -8.677 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.909 -4.542 -9.213 1.00 0.00 C ATOM 0 H LEU A 24 -8.345 -4.483 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.318 -3.285 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.053 -2.323 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.248 -3.706 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.206 -5.124 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.613 -4.218 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.850 -3.343 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.878 -2.613 -9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.387 -5.197 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.585 -3.626 -9.706 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.044 -5.048 -8.783 1.00 0.00 H new ATOM 348 N GLY A 25 -8.039 -1.122 -4.643 1.00 0.00 N ATOM 349 CA GLY A 25 -8.405 0.277 -4.551 1.00 0.00 C ATOM 350 C GLY A 25 -8.554 0.920 -5.923 1.00 0.00 C ATOM 351 O GLY A 25 -9.067 0.298 -6.855 1.00 0.00 O ATOM 0 H GLY A 25 -8.352 -1.707 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.343 0.371 -4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.647 0.813 -3.980 1.00 0.00 H new ATOM 355 N GLU A 26 -8.082 2.149 -6.059 1.00 0.00 N ATOM 356 CA GLU A 26 -8.136 2.853 -7.338 1.00 0.00 C ATOM 357 C GLU A 26 -7.081 2.305 -8.306 1.00 0.00 C ATOM 358 O GLU A 26 -7.358 1.440 -9.138 1.00 0.00 O ATOM 359 CB GLU A 26 -7.945 4.367 -7.157 1.00 0.00 C ATOM 360 CG GLU A 26 -7.485 4.782 -5.766 1.00 0.00 C ATOM 361 CD GLU A 26 -8.604 4.760 -4.741 1.00 0.00 C ATOM 362 OE1 GLU A 26 -9.058 3.656 -4.376 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.024 5.849 -4.300 1.00 0.00 O ATOM 0 H GLU A 26 -7.656 2.683 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.127 2.683 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.216 4.719 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.887 4.869 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.687 4.115 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.063 5.786 -5.813 1.00 0.00 H new ATOM 370 N ARG A 27 -5.868 2.848 -8.184 1.00 0.00 N ATOM 371 CA ARG A 27 -4.738 2.465 -9.035 1.00 0.00 C ATOM 372 C ARG A 27 -3.448 2.368 -8.228 1.00 0.00 C ATOM 373 O ARG A 27 -2.348 2.365 -8.788 1.00 0.00 O ATOM 374 CB ARG A 27 -4.552 3.498 -10.150 1.00 0.00 C ATOM 375 CG ARG A 27 -5.122 3.067 -11.488 1.00 0.00 C ATOM 376 CD ARG A 27 -4.396 1.850 -12.034 1.00 0.00 C ATOM 377 NE ARG A 27 -4.305 1.877 -13.493 1.00 0.00 N ATOM 378 CZ ARG A 27 -4.564 0.829 -14.274 1.00 0.00 C ATOM 379 NH1 ARG A 27 -4.860 -0.351 -13.740 1.00 0.00 N ATOM 380 NH2 ARG A 27 -4.510 0.954 -15.593 1.00 0.00 N ATOM 0 H ARG A 27 -5.641 3.564 -7.494 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.958 1.487 -9.463 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.025 4.433 -9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.488 3.703 -10.268 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.182 2.841 -11.377 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.044 3.889 -12.200 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.393 1.805 -11.609 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.917 0.946 -11.720 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.027 2.751 -13.940 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.890 -0.459 -12.726 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.057 -1.149 -14.344 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.270 1.853 -16.011 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.708 0.151 -16.190 1.00 0.00 H new ATOM 394 N LEU A 28 -3.577 2.305 -6.913 1.00 0.00 N ATOM 395 CA LEU A 28 -2.420 2.232 -6.039 1.00 0.00 C ATOM 396 C LEU A 28 -1.802 0.838 -6.005 1.00 0.00 C ATOM 397 O LEU A 28 -0.595 0.679 -6.193 1.00 0.00 O ATOM 398 CB LEU A 28 -2.839 2.648 -4.642 1.00 0.00 C ATOM 399 CG LEU A 28 -2.106 3.860 -4.100 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.007 4.622 -3.144 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.808 3.422 -3.433 1.00 0.00 C ATOM 0 H LEU A 28 -4.474 2.303 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.657 2.905 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.909 2.857 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.680 1.810 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.847 4.533 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.475 5.492 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.903 4.949 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.290 3.973 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.285 4.296 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.032 2.740 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.177 2.916 -4.163 1.00 0.00 H new ATOM 413 N PHE A 29 -2.639 -0.168 -5.773 1.00 0.00 N ATOM 414 CA PHE A 29 -2.186 -1.557 -5.719 1.00 0.00 C ATOM 415 C PHE A 29 -1.235 -1.863 -6.875 1.00 0.00 C ATOM 416 O PHE A 29 -0.164 -2.421 -6.670 1.00 0.00 O ATOM 417 CB PHE A 29 -3.395 -2.493 -5.772 1.00 0.00 C ATOM 418 CG PHE A 29 -3.294 -3.750 -4.934 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.381 -3.879 -3.894 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.135 -4.821 -5.206 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.322 -5.053 -3.154 1.00 0.00 C ATOM 422 CE2 PHE A 29 -4.078 -5.984 -4.472 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.168 -6.103 -3.446 1.00 0.00 C ATOM 0 H PHE A 29 -3.640 -0.048 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.647 -1.713 -4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.276 -1.936 -5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.560 -2.783 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.714 -3.062 -3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.850 -4.740 -6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.611 -5.144 -2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.746 -6.801 -4.701 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.116 -7.016 -2.871 1.00 0.00 H new ATOM 433 N PRO A 30 -1.611 -1.483 -8.107 1.00 0.00 N ATOM 434 CA PRO A 30 -0.782 -1.701 -9.296 1.00 0.00 C ATOM 435 C PRO A 30 0.580 -1.031 -9.173 1.00 0.00 C ATOM 436 O PRO A 30 1.612 -1.623 -9.489 1.00 0.00 O ATOM 437 CB PRO A 30 -1.573 -1.036 -10.429 1.00 0.00 C ATOM 438 CG PRO A 30 -2.966 -0.897 -9.919 1.00 0.00 C ATOM 439 CD PRO A 30 -2.864 -0.790 -8.428 1.00 0.00 C ATOM 0 HA PRO A 30 -0.588 -2.762 -9.455 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.150 -0.064 -10.684 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.546 -1.643 -11.334 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.447 -0.014 -10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.572 -1.757 -10.206 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.839 0.250 -8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.716 -1.258 -7.935 1.00 0.00 H new ATOM 447 N LEU A 31 0.561 0.219 -8.720 1.00 0.00 N ATOM 448 CA LEU A 31 1.783 1.004 -8.559 1.00 0.00 C ATOM 449 C LEU A 31 2.655 0.449 -7.440 1.00 0.00 C ATOM 450 O LEU A 31 3.857 0.190 -7.612 1.00 0.00 O ATOM 451 CB LEU A 31 1.425 2.458 -8.247 1.00 0.00 C ATOM 452 CG LEU A 31 0.395 3.079 -9.191 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.283 4.291 -8.567 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.057 3.463 -10.491 1.00 0.00 C ATOM 0 H LEU A 31 -0.291 0.713 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 31 2.344 0.949 -9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.043 2.513 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.335 3.057 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.377 2.333 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.008 4.704 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.794 3.991 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.467 5.047 -8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.318 3.905 -11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.849 4.187 -10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.484 2.575 -10.958 1.00 0.00 H new ATOM 466 N ILE A 32 2.041 0.254 -6.294 1.00 0.00 N ATOM 467 CA ILE A 32 2.760 -0.269 -5.162 1.00 0.00 C ATOM 468 C ILE A 32 3.165 -1.709 -5.423 1.00 0.00 C ATOM 469 O ILE A 32 4.299 -2.089 -5.157 1.00 0.00 O ATOM 470 CB ILE A 32 1.954 -0.157 -3.868 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.884 -0.430 -2.683 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.755 -1.096 -3.903 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.113 -1.899 -2.400 1.00 0.00 C ATOM 0 H ILE A 32 1.054 0.449 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 32 3.658 0.335 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 32 1.551 0.850 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.846 0.046 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.467 0.039 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.193 -1.003 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.112 -0.834 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.101 -2.123 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.782 -2.005 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.160 -2.379 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.561 -2.372 -3.274 1.00 0.00 H new ATOM 485 N GLN A 33 2.252 -2.503 -5.980 1.00 0.00 N ATOM 486 CA GLN A 33 2.567 -3.887 -6.309 1.00 0.00 C ATOM 487 C GLN A 33 3.945 -3.945 -6.964 1.00 0.00 C ATOM 488 O GLN A 33 4.766 -4.808 -6.651 1.00 0.00 O ATOM 489 CB GLN A 33 1.518 -4.490 -7.247 1.00 0.00 C ATOM 490 CG GLN A 33 1.666 -5.991 -7.440 1.00 0.00 C ATOM 491 CD GLN A 33 2.298 -6.356 -8.772 1.00 0.00 C ATOM 492 OE1 GLN A 33 3.521 -6.414 -8.896 1.00 0.00 O ATOM 493 NE2 GLN A 33 1.463 -6.607 -9.777 1.00 0.00 N ATOM 0 H GLN A 33 1.301 -2.214 -6.210 1.00 0.00 H new ATOM 0 HA GLN A 33 2.566 -4.471 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.525 -4.279 -6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.585 -3.999 -8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.273 -6.398 -6.632 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.685 -6.460 -7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.455 -6.547 -9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.830 -6.859 -10.694 1.00 0.00 H new ATOM 502 N ALA A 34 4.182 -3.000 -7.877 1.00 0.00 N ATOM 503 CA ALA A 34 5.456 -2.913 -8.592 1.00 0.00 C ATOM 504 C ALA A 34 6.630 -2.795 -7.628 1.00 0.00 C ATOM 505 O ALA A 34 7.714 -3.325 -7.880 1.00 0.00 O ATOM 506 CB ALA A 34 5.444 -1.732 -9.552 1.00 0.00 C ATOM 0 H ALA A 34 3.506 -2.283 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 34 5.581 -3.834 -9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.398 -1.680 -10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.639 -1.859 -10.275 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.287 -0.810 -8.992 1.00 0.00 H new ATOM 512 N MET A 35 6.406 -2.095 -6.533 1.00 0.00 N ATOM 513 CA MET A 35 7.455 -1.899 -5.522 1.00 0.00 C ATOM 514 C MET A 35 7.312 -2.872 -4.348 1.00 0.00 C ATOM 515 O MET A 35 8.275 -3.537 -3.965 1.00 0.00 O ATOM 516 CB MET A 35 7.439 -0.464 -5.002 1.00 0.00 C ATOM 517 CG MET A 35 8.292 0.479 -5.830 1.00 0.00 C ATOM 518 SD MET A 35 10.060 0.240 -5.554 1.00 0.00 S ATOM 519 CE MET A 35 10.574 -0.404 -7.146 1.00 0.00 C ATOM 0 H MET A 35 5.515 -1.650 -6.311 1.00 0.00 H new ATOM 0 HA MET A 35 8.408 -2.099 -6.011 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.412 -0.100 -4.990 1.00 0.00 H new ATOM 0 HB3 MET A 35 7.793 -0.454 -3.971 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.070 0.331 -6.887 1.00 0.00 H new ATOM 0 HG3 MET A 35 8.027 1.509 -5.590 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.479 -0.999 -7.023 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.782 -1.029 -7.559 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.774 0.424 -7.826 1.00 0.00 H new ATOM 529 N HIS A 36 6.111 -2.967 -3.795 1.00 0.00 N ATOM 530 CA HIS A 36 5.843 -3.876 -2.685 1.00 0.00 C ATOM 531 C HIS A 36 6.762 -3.627 -1.493 1.00 0.00 C ATOM 532 O HIS A 36 7.366 -4.562 -0.965 1.00 0.00 O ATOM 533 CB HIS A 36 5.983 -5.328 -3.143 1.00 0.00 C ATOM 534 CG HIS A 36 4.696 -5.918 -3.620 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.456 -5.391 -3.661 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.581 -7.200 -4.116 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.618 -6.351 -4.172 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.321 -7.434 -4.440 1.00 0.00 N flip ATOM 0 H HIS A 36 5.302 -2.424 -4.097 1.00 0.00 H new ATOM 0 HA HIS A 36 4.820 -3.685 -2.360 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.719 -5.380 -3.945 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.367 -5.928 -2.318 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.394 -7.903 -4.223 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.556 -6.238 -4.329 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.955 -8.303 -4.830 1.00 0.00 H new ATOM 546 N PRO A 37 6.867 -2.376 -1.022 1.00 0.00 N ATOM 547 CA PRO A 37 7.700 -2.071 0.131 1.00 0.00 C ATOM 548 C PRO A 37 7.139 -2.725 1.388 1.00 0.00 C ATOM 549 O PRO A 37 7.714 -3.676 1.916 1.00 0.00 O ATOM 550 CB PRO A 37 7.661 -0.542 0.235 1.00 0.00 C ATOM 551 CG PRO A 37 6.457 -0.113 -0.535 1.00 0.00 C ATOM 552 CD PRO A 37 6.171 -1.190 -1.547 1.00 0.00 C ATOM 0 HA PRO A 37 8.717 -2.448 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.594 -0.222 1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.567 -0.099 -0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.605 0.027 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.636 0.842 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.100 -1.368 -1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.541 -0.916 -2.535 1.00 0.00 H new ATOM 560 N THR A 38 6.025 -2.192 1.878 1.00 0.00 N ATOM 561 CA THR A 38 5.400 -2.709 3.091 1.00 0.00 C ATOM 562 C THR A 38 4.274 -3.691 2.771 1.00 0.00 C ATOM 563 O THR A 38 4.330 -4.860 3.156 1.00 0.00 O ATOM 564 CB THR A 38 4.866 -1.554 3.946 1.00 0.00 C ATOM 565 OG1 THR A 38 3.584 -1.140 3.490 1.00 0.00 O ATOM 566 CG2 THR A 38 5.781 -0.341 3.956 1.00 0.00 C ATOM 0 H THR A 38 5.536 -1.403 1.455 1.00 0.00 H new ATOM 0 HA THR A 38 6.163 -3.249 3.652 1.00 0.00 H new ATOM 0 HB THR A 38 4.809 -1.945 4.962 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.890 -1.642 3.966 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.344 0.439 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.755 -0.623 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.902 0.032 2.939 1.00 0.00 H new ATOM 574 N LEU A 39 3.248 -3.210 2.077 1.00 0.00 N ATOM 575 CA LEU A 39 2.108 -4.047 1.719 1.00 0.00 C ATOM 576 C LEU A 39 1.208 -3.344 0.703 1.00 0.00 C ATOM 577 O LEU A 39 0.528 -2.374 1.032 1.00 0.00 O ATOM 578 CB LEU A 39 1.301 -4.405 2.972 1.00 0.00 C ATOM 579 CG LEU A 39 1.306 -5.889 3.352 1.00 0.00 C ATOM 580 CD1 LEU A 39 0.356 -6.143 4.514 1.00 0.00 C ATOM 581 CD2 LEU A 39 0.933 -6.749 2.153 1.00 0.00 C ATOM 0 H LEU A 39 3.182 -2.246 1.751 1.00 0.00 H new ATOM 0 HA LEU A 39 2.489 -4.961 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.691 -3.830 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.269 -4.089 2.822 1.00 0.00 H new ATOM 0 HG LEU A 39 2.313 -6.162 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.371 -7.202 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.671 -5.555 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.655 -5.854 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.942 -7.800 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.064 -6.477 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.653 -6.587 1.351 1.00 0.00 H new ATOM 593 N ALA A 40 1.203 -3.846 -0.529 1.00 0.00 N ATOM 594 CA ALA A 40 0.385 -3.283 -1.608 1.00 0.00 C ATOM 595 C ALA A 40 -1.074 -3.083 -1.195 1.00 0.00 C ATOM 596 O ALA A 40 -1.658 -2.032 -1.457 1.00 0.00 O ATOM 597 CB ALA A 40 0.512 -4.169 -2.841 1.00 0.00 C ATOM 0 H ALA A 40 1.762 -4.651 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 40 0.758 -2.286 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.093 -3.758 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.555 -4.210 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.165 -5.175 -2.604 1.00 0.00 H new ATOM 603 N GLY A 41 -1.670 -4.089 -0.581 1.00 0.00 N ATOM 604 CA GLY A 41 -3.058 -3.978 -0.177 1.00 0.00 C ATOM 605 C GLY A 41 -3.319 -2.810 0.763 1.00 0.00 C ATOM 606 O GLY A 41 -4.028 -1.866 0.413 1.00 0.00 O ATOM 0 H GLY A 41 -1.223 -4.978 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.680 -3.867 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.362 -4.904 0.311 1.00 0.00 H new ATOM 610 N LYS A 42 -2.763 -2.892 1.968 1.00 0.00 N ATOM 611 CA LYS A 42 -2.954 -1.855 2.986 1.00 0.00 C ATOM 612 C LYS A 42 -2.356 -0.508 2.576 1.00 0.00 C ATOM 613 O LYS A 42 -2.947 0.546 2.820 1.00 0.00 O ATOM 614 CB LYS A 42 -2.336 -2.305 4.312 1.00 0.00 C ATOM 615 CG LYS A 42 -3.232 -3.239 5.105 1.00 0.00 C ATOM 616 CD LYS A 42 -4.014 -2.491 6.173 1.00 0.00 C ATOM 617 CE LYS A 42 -5.355 -2.006 5.643 1.00 0.00 C ATOM 618 NZ LYS A 42 -6.491 -2.487 6.479 1.00 0.00 N ATOM 0 H LYS A 42 -2.173 -3.668 2.268 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.029 -1.714 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.388 -2.805 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.112 -1.427 4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.925 -3.740 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.626 -4.015 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.175 -3.143 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.431 -1.640 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.361 -0.916 5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.487 -2.352 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.368 -2.015 6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.595 -3.515 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.304 -2.267 7.478 1.00 0.00 H new ATOM 632 N ILE A 43 -1.187 -0.549 1.956 1.00 0.00 N ATOM 633 CA ILE A 43 -0.513 0.669 1.517 1.00 0.00 C ATOM 634 C ILE A 43 -1.444 1.533 0.667 1.00 0.00 C ATOM 635 O ILE A 43 -1.480 2.756 0.804 1.00 0.00 O ATOM 636 CB ILE A 43 0.745 0.321 0.702 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.680 1.519 0.573 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.352 -0.204 -0.666 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.138 1.130 0.682 1.00 0.00 C ATOM 0 H ILE A 43 -0.683 -1.410 1.744 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.226 1.230 2.406 1.00 0.00 H new ATOM 0 HB ILE A 43 1.288 -0.458 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.508 2.008 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.442 2.247 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.250 -0.447 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.258 -1.100 -0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.219 0.557 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.760 2.019 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.319 0.666 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.386 0.424 -0.110 1.00 0.00 H new ATOM 651 N THR A 44 -2.188 0.874 -0.210 1.00 0.00 N ATOM 652 CA THR A 44 -3.122 1.551 -1.101 1.00 0.00 C ATOM 653 C THR A 44 -4.066 2.456 -0.317 1.00 0.00 C ATOM 654 O THR A 44 -4.283 3.605 -0.689 1.00 0.00 O ATOM 655 CB THR A 44 -3.912 0.517 -1.908 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.027 -0.275 -2.686 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.935 1.126 -2.847 1.00 0.00 C ATOM 0 H THR A 44 -2.162 -0.139 -0.324 1.00 0.00 H new ATOM 0 HA THR A 44 -2.554 2.178 -1.788 1.00 0.00 H new ATOM 0 HB THR A 44 -4.447 -0.081 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.766 -1.071 -2.177 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.454 0.332 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.656 1.707 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.431 1.777 -3.561 1.00 0.00 H new ATOM 665 N GLY A 45 -4.607 1.949 0.783 1.00 0.00 N ATOM 666 CA GLY A 45 -5.506 2.756 1.589 1.00 0.00 C ATOM 667 C GLY A 45 -4.860 4.043 2.047 1.00 0.00 C ATOM 668 O GLY A 45 -5.518 5.076 2.163 1.00 0.00 O ATOM 0 H GLY A 45 -4.443 1.004 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.402 2.986 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.826 2.182 2.459 1.00 0.00 H new ATOM 672 N MET A 46 -3.564 3.971 2.310 1.00 0.00 N ATOM 673 CA MET A 46 -2.807 5.124 2.769 1.00 0.00 C ATOM 674 C MET A 46 -2.621 6.149 1.656 1.00 0.00 C ATOM 675 O MET A 46 -3.081 7.285 1.777 1.00 0.00 O ATOM 676 CB MET A 46 -1.459 4.671 3.316 1.00 0.00 C ATOM 677 CG MET A 46 -1.553 4.082 4.715 1.00 0.00 C ATOM 678 SD MET A 46 -2.659 2.664 4.815 1.00 0.00 S ATOM 679 CE MET A 46 -3.541 3.050 6.324 1.00 0.00 C ATOM 0 H MET A 46 -3.012 3.119 2.212 1.00 0.00 H new ATOM 0 HA MET A 46 -3.371 5.609 3.566 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.031 3.928 2.643 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.775 5.520 3.330 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.558 3.782 5.044 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.898 4.853 5.404 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.812 2.125 6.834 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.904 3.650 6.974 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.445 3.610 6.084 1.00 0.00 H new ATOM 689 N LEU A 47 -1.935 5.764 0.581 1.00 0.00 N ATOM 690 CA LEU A 47 -1.703 6.689 -0.515 1.00 0.00 C ATOM 691 C LEU A 47 -3.037 7.179 -1.068 1.00 0.00 C ATOM 692 O LEU A 47 -3.091 8.208 -1.741 1.00 0.00 O ATOM 693 CB LEU A 47 -0.887 6.042 -1.638 1.00 0.00 C ATOM 694 CG LEU A 47 0.536 5.584 -1.317 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.547 6.627 -1.785 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.726 5.254 0.154 1.00 0.00 C ATOM 0 H LEU A 47 -1.538 4.833 0.451 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.131 7.531 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.443 5.177 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.831 6.752 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 47 0.709 4.657 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.556 6.287 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.453 6.767 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.355 7.573 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.754 4.935 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.516 6.138 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.045 4.452 0.438 1.00 0.00 H new ATOM 708 N LEU A 48 -4.118 6.423 -0.807 1.00 0.00 N ATOM 709 CA LEU A 48 -5.459 6.775 -1.301 1.00 0.00 C ATOM 710 C LEU A 48 -5.940 8.129 -0.765 1.00 0.00 C ATOM 711 O LEU A 48 -7.142 8.396 -0.737 1.00 0.00 O ATOM 712 CB LEU A 48 -6.472 5.678 -0.916 1.00 0.00 C ATOM 713 CG LEU A 48 -7.182 4.992 -2.098 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.300 3.920 -2.713 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.517 4.386 -1.668 1.00 0.00 C ATOM 0 H LEU A 48 -4.088 5.565 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.390 6.854 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.954 4.916 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.228 6.117 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.378 5.758 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.824 3.451 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.376 4.372 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.065 3.167 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.993 3.909 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.345 3.643 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.166 5.172 -1.283 1.00 0.00 H new ATOM 727 N GLU A 49 -5.006 8.985 -0.364 1.00 0.00 N ATOM 728 CA GLU A 49 -5.336 10.303 0.140 1.00 0.00 C ATOM 729 C GLU A 49 -5.732 11.223 -1.018 1.00 0.00 C ATOM 730 O GLU A 49 -6.274 12.309 -0.809 1.00 0.00 O ATOM 731 CB GLU A 49 -4.119 10.868 0.885 1.00 0.00 C ATOM 732 CG GLU A 49 -4.257 12.319 1.301 1.00 0.00 C ATOM 733 CD GLU A 49 -4.291 12.499 2.808 1.00 0.00 C ATOM 734 OE1 GLU A 49 -5.093 11.809 3.472 1.00 0.00 O ATOM 735 OE2 GLU A 49 -3.515 13.331 3.324 1.00 0.00 O ATOM 0 H GLU A 49 -4.007 8.782 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.181 10.237 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.940 10.263 1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.240 10.767 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.425 12.891 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.170 12.730 0.870 1.00 0.00 H new ATOM 742 N ILE A 50 -5.447 10.780 -2.245 1.00 0.00 N ATOM 743 CA ILE A 50 -5.750 11.556 -3.437 1.00 0.00 C ATOM 744 C ILE A 50 -6.945 10.980 -4.218 1.00 0.00 C ATOM 745 O ILE A 50 -7.466 9.916 -3.881 1.00 0.00 O ATOM 746 CB ILE A 50 -4.497 11.635 -4.334 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.465 12.960 -5.096 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.418 10.445 -5.277 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.180 13.732 -4.892 1.00 0.00 C ATOM 0 H ILE A 50 -5.004 9.881 -2.433 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.036 12.559 -3.122 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.616 11.596 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.599 12.764 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.306 13.576 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.525 10.530 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.372 9.523 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.301 10.428 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.220 14.662 -5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.055 13.958 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.337 13.133 -5.237 1.00 0.00 H new ATOM 761 N ASP A 51 -7.355 11.686 -5.275 1.00 0.00 N ATOM 762 CA ASP A 51 -8.464 11.261 -6.132 1.00 0.00 C ATOM 763 C ASP A 51 -8.069 10.099 -7.050 1.00 0.00 C ATOM 764 O ASP A 51 -6.935 10.041 -7.520 1.00 0.00 O ATOM 765 CB ASP A 51 -8.953 12.448 -6.966 1.00 0.00 C ATOM 766 CG ASP A 51 -10.450 12.655 -6.847 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.204 11.952 -7.551 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.869 13.518 -6.046 1.00 0.00 O ATOM 0 H ASP A 51 -6.928 12.567 -5.560 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.267 10.906 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.436 13.353 -6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.693 12.286 -8.012 1.00 0.00 H new ATOM 773 N ASN A 52 -9.014 9.189 -7.331 1.00 0.00 N ATOM 774 CA ASN A 52 -8.741 8.055 -8.227 1.00 0.00 C ATOM 775 C ASN A 52 -8.036 8.522 -9.503 1.00 0.00 C ATOM 776 O ASN A 52 -7.345 7.748 -10.163 1.00 0.00 O ATOM 777 CB ASN A 52 -10.039 7.338 -8.635 1.00 0.00 C ATOM 778 CG ASN A 52 -9.769 5.989 -9.294 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.616 5.608 -9.491 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.830 5.257 -9.641 1.00 0.00 N ATOM 0 H ASN A 52 -9.962 9.215 -6.956 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.100 7.368 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.664 7.192 -7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.601 7.970 -9.322 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.699 4.348 -10.086 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.771 5.606 -9.461 1.00 0.00 H new ATOM 787 N SER A 53 -8.253 9.784 -9.861 1.00 0.00 N ATOM 788 CA SER A 53 -7.680 10.346 -11.082 1.00 0.00 C ATOM 789 C SER A 53 -6.171 10.569 -10.984 1.00 0.00 C ATOM 790 O SER A 53 -5.471 10.533 -11.996 1.00 0.00 O ATOM 791 CB SER A 53 -8.380 11.661 -11.421 1.00 0.00 C ATOM 792 OG SER A 53 -9.140 11.541 -12.610 1.00 0.00 O ATOM 0 H SER A 53 -8.822 10.438 -9.323 1.00 0.00 H new ATOM 0 HA SER A 53 -7.840 9.617 -11.876 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.031 11.953 -10.597 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.639 12.452 -11.537 1.00 0.00 H new ATOM 0 HG SER A 53 -9.580 12.395 -12.805 1.00 0.00 H new ATOM 798 N GLU A 54 -5.672 10.809 -9.780 1.00 0.00 N ATOM 799 CA GLU A 54 -4.244 11.048 -9.590 1.00 0.00 C ATOM 800 C GLU A 54 -3.453 9.744 -9.640 1.00 0.00 C ATOM 801 O GLU A 54 -2.385 9.678 -10.248 1.00 0.00 O ATOM 802 CB GLU A 54 -3.999 11.760 -8.263 1.00 0.00 C ATOM 803 CG GLU A 54 -3.283 13.089 -8.423 1.00 0.00 C ATOM 804 CD GLU A 54 -1.854 12.922 -8.900 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.641 12.849 -10.129 1.00 0.00 O ATOM 806 OE2 GLU A 54 -0.947 12.864 -8.045 1.00 0.00 O ATOM 0 H GLU A 54 -6.227 10.844 -8.925 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.899 11.684 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.954 11.926 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.410 11.113 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.830 13.710 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.285 13.617 -7.469 1.00 0.00 H new ATOM 813 N LEU A 55 -3.988 8.715 -9.003 1.00 0.00 N ATOM 814 CA LEU A 55 -3.339 7.411 -8.975 1.00 0.00 C ATOM 815 C LEU A 55 -3.172 6.869 -10.387 1.00 0.00 C ATOM 816 O LEU A 55 -2.203 6.175 -10.690 1.00 0.00 O ATOM 817 CB LEU A 55 -4.149 6.435 -8.124 1.00 0.00 C ATOM 818 CG LEU A 55 -4.395 6.895 -6.687 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.721 7.633 -6.578 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.357 5.713 -5.732 1.00 0.00 C ATOM 0 H LEU A 55 -4.872 8.756 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.351 7.525 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.111 6.265 -8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.630 5.477 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.598 7.585 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.876 7.952 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.706 8.507 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.532 6.970 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.534 6.061 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.129 4.996 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.380 5.233 -5.786 1.00 0.00 H new ATOM 832 N LEU A 56 -4.116 7.214 -11.254 1.00 0.00 N ATOM 833 CA LEU A 56 -4.067 6.786 -12.643 1.00 0.00 C ATOM 834 C LEU A 56 -2.887 7.444 -13.344 1.00 0.00 C ATOM 835 O LEU A 56 -2.130 6.789 -14.057 1.00 0.00 O ATOM 836 CB LEU A 56 -5.369 7.147 -13.359 1.00 0.00 C ATOM 837 CG LEU A 56 -6.367 6.000 -13.497 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.011 5.692 -12.155 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.422 6.337 -14.541 1.00 0.00 C ATOM 0 H LEU A 56 -4.924 7.789 -11.018 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.943 5.703 -12.673 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.849 7.964 -12.819 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.128 7.521 -14.354 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.832 5.110 -13.829 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.720 4.872 -12.271 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.241 5.407 -11.439 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.535 6.576 -11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.126 5.509 -14.627 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.957 7.238 -14.240 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.940 6.505 -15.504 1.00 0.00 H new ATOM 851 N HIS A 57 -2.739 8.745 -13.120 1.00 0.00 N ATOM 852 CA HIS A 57 -1.654 9.517 -13.713 1.00 0.00 C ATOM 853 C HIS A 57 -0.301 8.919 -13.335 1.00 0.00 C ATOM 854 O HIS A 57 0.611 8.849 -14.159 1.00 0.00 O ATOM 855 CB HIS A 57 -1.717 10.974 -13.244 1.00 0.00 C ATOM 856 CG HIS A 57 -2.766 11.800 -13.923 1.00 0.00 C ATOM 857 ND1 HIS A 57 -3.267 11.518 -15.177 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.404 12.922 -13.512 1.00 0.00 C ATOM 859 CE1 HIS A 57 -4.165 12.430 -15.509 1.00 0.00 C ATOM 860 NE2 HIS A 57 -4.266 13.292 -14.514 1.00 0.00 N ATOM 0 H HIS A 57 -3.363 9.291 -12.526 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.768 9.483 -14.797 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.900 10.989 -12.170 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.744 11.438 -13.408 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.261 13.431 -12.570 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.720 12.464 -16.435 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.885 14.102 -14.493 1.00 0.00 H new ATOM 868 N MET A 58 -0.185 8.485 -12.081 1.00 0.00 N ATOM 869 CA MET A 58 1.050 7.888 -11.588 1.00 0.00 C ATOM 870 C MET A 58 1.388 6.635 -12.391 1.00 0.00 C ATOM 871 O MET A 58 2.524 6.445 -12.828 1.00 0.00 O ATOM 872 CB MET A 58 0.920 7.536 -10.100 1.00 0.00 C ATOM 873 CG MET A 58 0.787 8.747 -9.188 1.00 0.00 C ATOM 874 SD MET A 58 0.236 8.302 -7.529 1.00 0.00 S ATOM 875 CE MET A 58 -0.962 9.596 -7.219 1.00 0.00 C ATOM 0 H MET A 58 -0.933 8.537 -11.389 1.00 0.00 H new ATOM 0 HA MET A 58 1.855 8.614 -11.707 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.050 6.894 -9.964 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.793 6.959 -9.796 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.748 9.257 -9.124 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.080 9.452 -9.626 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.615 10.224 -6.398 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.081 10.204 -8.116 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.920 9.149 -6.954 1.00 0.00 H new ATOM 885 N LEU A 59 0.393 5.778 -12.574 1.00 0.00 N ATOM 886 CA LEU A 59 0.590 4.536 -13.309 1.00 0.00 C ATOM 887 C LEU A 59 1.049 4.818 -14.737 1.00 0.00 C ATOM 888 O LEU A 59 1.644 3.959 -15.388 1.00 0.00 O ATOM 889 CB LEU A 59 -0.708 3.718 -13.332 1.00 0.00 C ATOM 890 CG LEU A 59 -0.788 2.655 -14.429 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.348 1.350 -13.878 1.00 0.00 C ATOM 892 CD2 LEU A 59 -1.628 3.171 -15.588 1.00 0.00 C ATOM 0 H LEU A 59 -0.555 5.919 -12.225 1.00 0.00 H new ATOM 0 HA LEU A 59 1.365 3.962 -12.801 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.828 3.229 -12.365 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.548 4.403 -13.449 1.00 0.00 H new ATOM 0 HG LEU A 59 0.217 2.449 -14.797 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.396 0.609 -14.676 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.701 0.984 -13.081 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.349 1.522 -13.482 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.681 2.410 -16.366 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.633 3.400 -15.235 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.172 4.074 -15.994 1.00 0.00 H new ATOM 904 N GLU A 60 0.777 6.023 -15.219 1.00 0.00 N ATOM 905 CA GLU A 60 1.174 6.404 -16.566 1.00 0.00 C ATOM 906 C GLU A 60 2.524 7.123 -16.564 1.00 0.00 C ATOM 907 O GLU A 60 3.128 7.323 -17.618 1.00 0.00 O ATOM 908 CB GLU A 60 0.102 7.290 -17.203 1.00 0.00 C ATOM 909 CG GLU A 60 -1.311 6.768 -17.003 1.00 0.00 C ATOM 910 CD GLU A 60 -2.307 7.396 -17.957 1.00 0.00 C ATOM 911 OE1 GLU A 60 -2.074 8.544 -18.385 1.00 0.00 O ATOM 912 OE2 GLU A 60 -3.321 6.738 -18.272 1.00 0.00 O ATOM 0 H GLU A 60 0.285 6.750 -14.699 1.00 0.00 H new ATOM 0 HA GLU A 60 1.279 5.494 -17.156 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.174 8.293 -16.782 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.301 7.377 -18.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.317 5.686 -17.138 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.624 6.963 -15.977 1.00 0.00 H new ATOM 919 N SER A 61 2.998 7.507 -15.380 1.00 0.00 N ATOM 920 CA SER A 61 4.280 8.194 -15.260 1.00 0.00 C ATOM 921 C SER A 61 5.023 7.762 -13.993 1.00 0.00 C ATOM 922 O SER A 61 4.783 8.302 -12.913 1.00 0.00 O ATOM 923 CB SER A 61 4.068 9.711 -15.256 1.00 0.00 C ATOM 924 OG SER A 61 4.677 10.314 -16.386 1.00 0.00 O ATOM 0 H SER A 61 2.515 7.354 -14.495 1.00 0.00 H new ATOM 0 HA SER A 61 4.891 7.921 -16.120 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.001 9.932 -15.253 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.485 10.137 -14.343 1.00 0.00 H new ATOM 0 HG SER A 61 4.526 11.282 -16.361 1.00 0.00 H new ATOM 930 N PRO A 62 5.941 6.781 -14.107 1.00 0.00 N ATOM 931 CA PRO A 62 6.718 6.287 -12.960 1.00 0.00 C ATOM 932 C PRO A 62 7.396 7.415 -12.184 1.00 0.00 C ATOM 933 O PRO A 62 7.661 7.291 -10.989 1.00 0.00 O ATOM 934 CB PRO A 62 7.772 5.385 -13.609 1.00 0.00 C ATOM 935 CG PRO A 62 7.156 4.938 -14.889 1.00 0.00 C ATOM 936 CD PRO A 62 6.294 6.080 -15.358 1.00 0.00 C ATOM 0 HA PRO A 62 6.086 5.779 -12.232 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.701 5.927 -13.785 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.014 4.536 -12.969 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.921 4.699 -15.627 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.562 4.036 -14.742 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.832 6.733 -16.046 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.407 5.725 -15.883 1.00 0.00 H new ATOM 944 N GLU A 63 7.682 8.508 -12.883 1.00 0.00 N ATOM 945 CA GLU A 63 8.342 9.666 -12.289 1.00 0.00 C ATOM 946 C GLU A 63 7.542 10.216 -11.116 1.00 0.00 C ATOM 947 O GLU A 63 7.993 10.185 -9.971 1.00 0.00 O ATOM 948 CB GLU A 63 8.521 10.762 -13.343 1.00 0.00 C ATOM 949 CG GLU A 63 8.576 10.239 -14.768 1.00 0.00 C ATOM 950 CD GLU A 63 9.184 11.231 -15.740 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.439 12.094 -16.253 1.00 0.00 O ATOM 952 OE2 GLU A 63 10.404 11.144 -15.989 1.00 0.00 O ATOM 0 H GLU A 63 7.464 8.617 -13.874 1.00 0.00 H new ATOM 0 HA GLU A 63 9.316 9.345 -11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.699 11.472 -13.258 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.439 11.310 -13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.156 9.316 -14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.567 9.989 -15.096 1.00 0.00 H new ATOM 959 N SER A 64 6.350 10.713 -11.412 1.00 0.00 N ATOM 960 CA SER A 64 5.477 11.264 -10.387 1.00 0.00 C ATOM 961 C SER A 64 4.969 10.145 -9.501 1.00 0.00 C ATOM 962 O SER A 64 4.749 10.323 -8.304 1.00 0.00 O ATOM 963 CB SER A 64 4.304 12.004 -11.029 1.00 0.00 C ATOM 964 OG SER A 64 4.481 13.406 -10.951 1.00 0.00 O ATOM 0 H SER A 64 5.965 10.746 -12.356 1.00 0.00 H new ATOM 0 HA SER A 64 6.041 11.974 -9.782 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.208 11.704 -12.073 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.376 11.723 -10.530 1.00 0.00 H new ATOM 0 HG SER A 64 3.718 13.856 -11.370 1.00 0.00 H new ATOM 970 N LEU A 65 4.771 8.990 -10.118 1.00 0.00 N ATOM 971 CA LEU A 65 4.274 7.824 -9.416 1.00 0.00 C ATOM 972 C LEU A 65 5.177 7.471 -8.248 1.00 0.00 C ATOM 973 O LEU A 65 4.736 7.455 -7.100 1.00 0.00 O ATOM 974 CB LEU A 65 4.186 6.640 -10.378 1.00 0.00 C ATOM 975 CG LEU A 65 3.871 5.270 -9.755 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.152 4.534 -9.402 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.979 5.394 -8.525 1.00 0.00 C ATOM 0 H LEU A 65 4.949 8.838 -11.111 1.00 0.00 H new ATOM 0 HA LEU A 65 3.282 8.052 -9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.420 6.861 -11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.134 6.562 -10.911 1.00 0.00 H new ATOM 0 HG LEU A 65 3.325 4.695 -10.503 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.907 3.567 -8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.745 4.383 -10.304 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.725 5.123 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.782 4.403 -8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.480 6.003 -7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.037 5.865 -8.805 1.00 0.00 H new ATOM 989 N ARG A 66 6.436 7.178 -8.537 1.00 0.00 N ATOM 990 CA ARG A 66 7.367 6.809 -7.479 1.00 0.00 C ATOM 991 C ARG A 66 7.474 7.919 -6.442 1.00 0.00 C ATOM 992 O ARG A 66 7.737 7.661 -5.273 1.00 0.00 O ATOM 993 CB ARG A 66 8.747 6.477 -8.055 1.00 0.00 C ATOM 994 CG ARG A 66 8.994 4.981 -8.219 1.00 0.00 C ATOM 995 CD ARG A 66 9.097 4.581 -9.685 1.00 0.00 C ATOM 996 NE ARG A 66 7.981 3.736 -10.110 1.00 0.00 N ATOM 997 CZ ARG A 66 7.905 2.426 -9.872 1.00 0.00 C ATOM 998 NH1 ARG A 66 8.882 1.803 -9.227 1.00 0.00 N ATOM 999 NH2 ARG A 66 6.855 1.733 -10.294 1.00 0.00 N ATOM 0 H ARG A 66 6.832 7.187 -9.477 1.00 0.00 H new ATOM 0 HA ARG A 66 6.980 5.916 -6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.854 6.963 -9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.514 6.895 -7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.913 4.706 -7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.184 4.425 -7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.126 5.478 -10.303 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.035 4.050 -9.849 1.00 0.00 H new ATOM 0 HE ARG A 66 7.214 4.176 -10.619 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.698 2.326 -8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.817 0.801 -9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.105 2.202 -10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.798 0.731 -10.111 1.00 0.00 H new ATOM 1013 N SER A 67 7.257 9.150 -6.879 1.00 0.00 N ATOM 1014 CA SER A 67 7.324 10.300 -5.986 1.00 0.00 C ATOM 1015 C SER A 67 6.353 10.149 -4.816 1.00 0.00 C ATOM 1016 O SER A 67 6.713 10.387 -3.666 1.00 0.00 O ATOM 1017 CB SER A 67 7.002 11.580 -6.758 1.00 0.00 C ATOM 1018 OG SER A 67 7.782 12.674 -6.298 1.00 0.00 O ATOM 0 H SER A 67 7.033 9.380 -7.847 1.00 0.00 H new ATOM 0 HA SER A 67 8.337 10.358 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.186 11.422 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.943 11.815 -6.650 1.00 0.00 H new ATOM 0 HG SER A 67 7.555 13.477 -6.812 1.00 0.00 H new ATOM 1024 N LYS A 68 5.120 9.766 -5.122 1.00 0.00 N ATOM 1025 CA LYS A 68 4.090 9.598 -4.098 1.00 0.00 C ATOM 1026 C LYS A 68 4.296 8.307 -3.305 1.00 0.00 C ATOM 1027 O LYS A 68 4.301 8.317 -2.074 1.00 0.00 O ATOM 1028 CB LYS A 68 2.698 9.612 -4.739 1.00 0.00 C ATOM 1029 CG LYS A 68 2.550 10.622 -5.871 1.00 0.00 C ATOM 1030 CD LYS A 68 2.144 11.996 -5.350 1.00 0.00 C ATOM 1031 CE LYS A 68 2.113 13.036 -6.461 1.00 0.00 C ATOM 1032 NZ LYS A 68 1.581 12.477 -7.735 1.00 0.00 N ATOM 0 H LYS A 68 4.806 9.565 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 68 4.170 10.433 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.475 8.616 -5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.957 9.831 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.492 10.702 -6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.803 10.266 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.160 11.932 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.843 12.312 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.497 13.880 -6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.120 13.420 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.702 13.174 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.098 11.607 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.570 12.259 -7.623 1.00 0.00 H new ATOM 1046 N VAL A 69 4.465 7.196 -4.018 1.00 0.00 N ATOM 1047 CA VAL A 69 4.674 5.894 -3.384 1.00 0.00 C ATOM 1048 C VAL A 69 5.880 5.916 -2.451 1.00 0.00 C ATOM 1049 O VAL A 69 5.783 5.524 -1.289 1.00 0.00 O ATOM 1050 CB VAL A 69 4.869 4.789 -4.434 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.836 3.416 -3.777 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.805 4.902 -5.512 1.00 0.00 C ATOM 0 H VAL A 69 4.461 7.170 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 69 3.778 5.680 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 69 5.846 4.914 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.976 2.646 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.635 3.347 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.874 3.271 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.951 4.115 -6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.818 4.798 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.881 5.875 -5.998 1.00 0.00 H new ATOM 1062 N ASP A 70 7.011 6.393 -2.963 1.00 0.00 N ATOM 1063 CA ASP A 70 8.239 6.483 -2.165 1.00 0.00 C ATOM 1064 C ASP A 70 7.963 7.233 -0.867 1.00 0.00 C ATOM 1065 O ASP A 70 8.238 6.739 0.226 1.00 0.00 O ATOM 1066 CB ASP A 70 9.339 7.208 -2.951 1.00 0.00 C ATOM 1067 CG ASP A 70 10.671 6.482 -2.918 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.959 5.809 -1.907 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.429 6.596 -3.905 1.00 0.00 O ATOM 0 H ASP A 70 7.107 6.723 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 70 8.576 5.472 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.021 7.324 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.468 8.211 -2.543 1.00 0.00 H new ATOM 1074 N GLU A 71 7.406 8.429 -1.010 1.00 0.00 N ATOM 1075 CA GLU A 71 7.068 9.283 0.127 1.00 0.00 C ATOM 1076 C GLU A 71 6.286 8.512 1.180 1.00 0.00 C ATOM 1077 O GLU A 71 6.719 8.388 2.324 1.00 0.00 O ATOM 1078 CB GLU A 71 6.251 10.482 -0.363 1.00 0.00 C ATOM 1079 CG GLU A 71 7.090 11.583 -0.999 1.00 0.00 C ATOM 1080 CD GLU A 71 8.242 12.037 -0.127 1.00 0.00 C ATOM 1081 OE1 GLU A 71 9.247 11.304 -0.042 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.137 13.128 0.473 1.00 0.00 O ATOM 0 H GLU A 71 7.175 8.836 -1.916 1.00 0.00 H new ATOM 0 HA GLU A 71 7.993 9.632 0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.515 10.135 -1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.698 10.900 0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.483 11.227 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.450 12.438 -1.218 1.00 0.00 H new ATOM 1089 N ALA A 72 5.137 7.992 0.793 1.00 0.00 N ATOM 1090 CA ALA A 72 4.304 7.237 1.712 1.00 0.00 C ATOM 1091 C ALA A 72 5.103 6.171 2.450 1.00 0.00 C ATOM 1092 O ALA A 72 4.942 5.990 3.655 1.00 0.00 O ATOM 1093 CB ALA A 72 3.153 6.616 0.966 1.00 0.00 C ATOM 0 H ALA A 72 4.759 8.078 -0.150 1.00 0.00 H new ATOM 0 HA ALA A 72 3.915 7.927 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.532 6.051 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.556 7.400 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.537 5.947 0.196 1.00 0.00 H new ATOM 1099 N VAL A 73 5.974 5.472 1.732 1.00 0.00 N ATOM 1100 CA VAL A 73 6.792 4.437 2.356 1.00 0.00 C ATOM 1101 C VAL A 73 7.496 5.010 3.583 1.00 0.00 C ATOM 1102 O VAL A 73 7.711 4.312 4.572 1.00 0.00 O ATOM 1103 CB VAL A 73 7.840 3.853 1.388 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.487 2.610 1.985 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.206 3.536 0.041 1.00 0.00 C ATOM 0 H VAL A 73 6.132 5.599 0.732 1.00 0.00 H new ATOM 0 HA VAL A 73 6.124 3.625 2.645 1.00 0.00 H new ATOM 0 HB VAL A 73 8.618 4.601 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.224 2.212 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.979 2.870 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.722 1.857 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.961 3.125 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.407 2.808 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.795 4.448 -0.392 1.00 0.00 H new ATOM 1115 N ALA A 74 7.831 6.296 3.512 1.00 0.00 N ATOM 1116 CA ALA A 74 8.484 6.978 4.617 1.00 0.00 C ATOM 1117 C ALA A 74 7.493 7.232 5.752 1.00 0.00 C ATOM 1118 O ALA A 74 7.688 6.765 6.874 1.00 0.00 O ATOM 1119 CB ALA A 74 9.105 8.283 4.143 1.00 0.00 C ATOM 0 H ALA A 74 7.659 6.885 2.697 1.00 0.00 H new ATOM 0 HA ALA A 74 9.280 6.337 4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.590 8.781 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.844 8.074 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.327 8.930 3.737 1.00 0.00 H new ATOM 1125 N VAL A 75 6.429 7.975 5.449 1.00 0.00 N ATOM 1126 CA VAL A 75 5.402 8.288 6.442 1.00 0.00 C ATOM 1127 C VAL A 75 4.668 7.026 6.896 1.00 0.00 C ATOM 1128 O VAL A 75 4.628 6.715 8.084 1.00 0.00 O ATOM 1129 CB VAL A 75 4.350 9.289 5.911 1.00 0.00 C ATOM 1130 CG1 VAL A 75 4.111 10.398 6.924 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.755 9.876 4.568 1.00 0.00 C ATOM 0 H VAL A 75 6.256 8.371 4.525 1.00 0.00 H new ATOM 0 HA VAL A 75 5.931 8.741 7.280 1.00 0.00 H new ATOM 0 HB VAL A 75 3.421 8.739 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.368 11.093 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.749 9.967 7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.044 10.930 7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.989 10.574 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.704 10.401 4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.862 9.074 3.838 1.00 0.00 H new ATOM 1141 N LEU A 76 4.067 6.322 5.941 1.00 0.00 N ATOM 1142 CA LEU A 76 3.304 5.108 6.228 1.00 0.00 C ATOM 1143 C LEU A 76 4.092 4.140 7.093 1.00 0.00 C ATOM 1144 O LEU A 76 3.702 3.833 8.218 1.00 0.00 O ATOM 1145 CB LEU A 76 2.926 4.410 4.922 1.00 0.00 C ATOM 1146 CG LEU A 76 1.745 3.444 5.016 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.441 2.845 3.655 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.005 2.334 6.028 1.00 0.00 C ATOM 0 H LEU A 76 4.094 6.573 4.953 1.00 0.00 H new ATOM 0 HA LEU A 76 2.408 5.406 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.694 5.171 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.795 3.862 4.558 1.00 0.00 H new ATOM 0 HG LEU A 76 0.882 4.015 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.598 2.160 3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.192 3.642 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.314 2.303 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.143 1.668 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.888 1.769 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.170 2.771 7.013 1.00 0.00 H new ATOM 1160 N GLN A 77 5.190 3.642 6.545 1.00 0.00 N ATOM 1161 CA GLN A 77 6.016 2.679 7.255 1.00 0.00 C ATOM 1162 C GLN A 77 6.313 3.186 8.666 1.00 0.00 C ATOM 1163 O GLN A 77 6.498 2.399 9.595 1.00 0.00 O ATOM 1164 CB GLN A 77 7.316 2.436 6.492 1.00 0.00 C ATOM 1165 CG GLN A 77 8.077 1.201 6.945 1.00 0.00 C ATOM 1166 CD GLN A 77 9.579 1.387 6.859 1.00 0.00 C ATOM 1167 OE1 GLN A 77 10.212 1.854 7.804 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.156 1.026 5.718 1.00 0.00 N ATOM 0 H GLN A 77 5.528 3.888 5.615 1.00 0.00 H new ATOM 0 HA GLN A 77 5.476 1.735 7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.090 2.341 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.960 3.308 6.604 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.801 0.963 7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.783 0.350 6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.591 0.643 4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.164 1.132 5.600 1.00 0.00 H new ATOM 1177 N ALA A 78 6.327 4.509 8.819 1.00 0.00 N ATOM 1178 CA ALA A 78 6.570 5.137 10.114 1.00 0.00 C ATOM 1179 C ALA A 78 5.293 5.173 10.962 1.00 0.00 C ATOM 1180 O ALA A 78 5.297 4.760 12.122 1.00 0.00 O ATOM 1181 CB ALA A 78 7.118 6.541 9.920 1.00 0.00 C ATOM 0 H ALA A 78 6.172 5.169 8.057 1.00 0.00 H new ATOM 0 HA ALA A 78 7.308 4.539 10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.296 7.000 10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.055 6.492 9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.397 7.139 9.363 1.00 0.00 H new ATOM 1187 N HIS A 79 4.204 5.678 10.374 1.00 0.00 N ATOM 1188 CA HIS A 79 2.925 5.780 11.073 1.00 0.00 C ATOM 1189 C HIS A 79 2.368 4.400 11.412 1.00 0.00 C ATOM 1190 O HIS A 79 1.807 4.194 12.488 1.00 0.00 O ATOM 1191 CB HIS A 79 1.917 6.560 10.217 1.00 0.00 C ATOM 1192 CG HIS A 79 1.634 7.936 10.734 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.623 8.211 11.631 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.237 9.121 10.476 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.615 9.504 11.903 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.585 10.079 11.216 1.00 0.00 N ATOM 0 H HIS A 79 4.186 6.022 9.414 1.00 0.00 H new ATOM 0 HA HIS A 79 3.093 6.315 12.008 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.298 6.634 9.198 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.983 6.000 10.168 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.074 9.283 9.813 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.068 10.005 12.573 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.814 11.073 11.232 1.00 0.00 H new ATOM 1536 N LYS B 5 6.076 13.119 4.523 1.00 0.00 N ATOM 1537 CA LYS B 5 6.143 12.988 3.076 1.00 0.00 C ATOM 1538 C LYS B 5 4.831 13.426 2.417 1.00 0.00 C ATOM 1539 O LYS B 5 3.966 14.007 3.071 1.00 0.00 O ATOM 1540 CB LYS B 5 6.503 11.560 2.680 1.00 0.00 C ATOM 1541 CG LYS B 5 7.582 10.940 3.553 1.00 0.00 C ATOM 1542 CD LYS B 5 8.973 11.175 2.984 1.00 0.00 C ATOM 1543 CE LYS B 5 9.965 11.552 4.073 1.00 0.00 C ATOM 1544 NZ LYS B 5 10.434 12.955 3.928 1.00 0.00 N ATOM 0 HA LYS B 5 6.930 13.650 2.716 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.607 10.941 2.730 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.838 11.553 1.643 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.524 11.361 4.557 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.403 9.869 3.646 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.316 10.274 2.474 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.932 11.968 2.237 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.499 11.423 5.050 1.00 0.00 H new ATOM 0 HE3 LYS B 5 10.820 10.877 4.036 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.109 13.176 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.901 13.071 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.621 13.601 3.989 1.00 0.00 H new ATOM 1558 N LEU B 6 4.701 13.168 1.117 1.00 0.00 N ATOM 1559 CA LEU B 6 3.503 13.562 0.368 1.00 0.00 C ATOM 1560 C LEU B 6 2.318 12.634 0.629 1.00 0.00 C ATOM 1561 O LEU B 6 1.171 13.082 0.660 1.00 0.00 O ATOM 1562 CB LEU B 6 3.806 13.600 -1.130 1.00 0.00 C ATOM 1563 CG LEU B 6 5.031 14.427 -1.520 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.550 13.992 -2.880 1.00 0.00 C ATOM 1565 CD2 LEU B 6 4.693 15.910 -1.520 1.00 0.00 C ATOM 0 H LEU B 6 5.408 12.689 0.559 1.00 0.00 H new ATOM 0 HA LEU B 6 3.224 14.556 0.716 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.949 12.579 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.936 13.999 -1.652 1.00 0.00 H new ATOM 0 HG LEU B 6 5.816 14.257 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.422 14.590 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.829 12.939 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.771 14.135 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.576 16.484 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.894 16.101 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.366 16.209 -0.524 1.00 0.00 H new ATOM 1577 N SER B 7 2.584 11.347 0.823 1.00 0.00 N ATOM 1578 CA SER B 7 1.515 10.396 1.084 1.00 0.00 C ATOM 1579 C SER B 7 1.597 9.862 2.510 1.00 0.00 C ATOM 1580 O SER B 7 2.489 9.089 2.843 1.00 0.00 O ATOM 1581 CB SER B 7 1.583 9.250 0.082 1.00 0.00 C ATOM 1582 OG SER B 7 1.227 9.695 -1.218 1.00 0.00 O ATOM 0 H SER B 7 3.521 10.943 0.805 1.00 0.00 H new ATOM 0 HA SER B 7 0.560 10.910 0.972 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.591 8.835 0.066 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.913 8.449 0.393 1.00 0.00 H new ATOM 0 HG SER B 7 2.022 9.698 -1.792 1.00 0.00 H new ATOM 1588 N VAL B 8 0.662 10.287 3.349 1.00 0.00 N ATOM 1589 CA VAL B 8 0.637 9.848 4.738 1.00 0.00 C ATOM 1590 C VAL B 8 -0.247 8.618 4.908 1.00 0.00 C ATOM 1591 O VAL B 8 -0.698 8.030 3.925 1.00 0.00 O ATOM 1592 CB VAL B 8 0.143 10.969 5.670 1.00 0.00 C ATOM 1593 CG1 VAL B 8 1.217 12.033 5.827 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.151 11.573 5.144 1.00 0.00 C ATOM 0 H VAL B 8 -0.086 10.932 3.094 1.00 0.00 H new ATOM 0 HA VAL B 8 1.660 9.590 5.012 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.062 10.542 6.652 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.855 12.820 6.488 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.114 11.584 6.254 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.453 12.459 4.852 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.484 12.363 5.817 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.981 11.989 4.151 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -1.917 10.799 5.087 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.482 8.218 6.154 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.301 7.047 6.431 1.00 0.00 C ATOM 1606 C ASN B 9 -2.798 7.351 6.299 1.00 0.00 C ATOM 1607 O ASN B 9 -3.570 7.110 7.227 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.991 6.506 7.831 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.383 7.478 8.928 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.798 8.555 9.057 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.376 7.104 9.724 1.00 0.00 N ATOM 0 H ASN B 9 -0.118 8.687 6.984 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.054 6.289 5.688 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.519 5.564 7.978 1.00 0.00 H new ATOM 0 HB3 ASN B 9 0.075 6.289 7.906 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.683 7.717 10.479 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.833 6.203 9.581 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.202 7.898 5.150 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.600 8.247 4.906 1.00 0.00 C ATOM 1620 C ALA B 10 -5.547 7.089 5.235 1.00 0.00 C ATOM 1621 O ALA B 10 -5.112 6.027 5.680 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.766 8.677 3.458 1.00 0.00 C ATOM 0 H ALA B 10 -2.577 8.109 4.372 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.865 9.072 5.568 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.808 8.938 3.273 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.135 9.543 3.261 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.475 7.859 2.800 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.867 7.284 5.015 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.889 6.260 5.285 1.00 0.00 C ATOM 1630 C PRO B 11 -7.550 4.914 4.655 1.00 0.00 C ATOM 1631 O PRO B 11 -6.417 4.681 4.245 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.150 6.844 4.649 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.942 8.318 4.708 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.468 8.526 4.490 1.00 0.00 C ATOM 0 HA PRO B 11 -7.986 6.055 6.351 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.273 6.500 3.622 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.045 6.546 5.195 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.527 8.828 3.943 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.257 8.720 5.671 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.234 8.671 3.435 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.103 9.405 5.021 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.541 4.034 4.548 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.342 2.731 3.929 1.00 0.00 C ATOM 1644 C GLU B 12 -8.449 2.805 2.405 1.00 0.00 C ATOM 1645 O GLU B 12 -8.679 3.872 1.835 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.355 1.727 4.476 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.732 0.400 4.870 1.00 0.00 C ATOM 1648 CD GLU B 12 -8.285 0.375 6.318 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.530 1.283 6.725 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -8.684 -0.561 7.044 1.00 0.00 O ATOM 0 H GLU B 12 -9.490 4.201 4.883 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.333 2.399 4.176 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.852 2.159 5.344 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.124 1.551 3.724 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.453 -0.400 4.702 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.876 0.199 4.226 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.307 1.646 1.763 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.418 1.556 0.308 1.00 0.00 C ATOM 1659 C PHE B 13 -9.768 0.955 -0.064 1.00 0.00 C ATOM 1660 O PHE B 13 -10.027 -0.224 0.172 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.267 0.749 -0.305 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.346 -0.741 -0.119 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.208 -1.317 1.136 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.536 -1.569 -1.211 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.265 -2.691 1.292 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.591 -2.938 -1.059 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.457 -3.498 0.186 1.00 0.00 C ATOM 0 H PHE B 13 -8.115 0.758 2.227 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.348 2.563 -0.104 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.226 0.962 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.330 1.102 0.126 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -7.055 -0.687 2.000 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.643 -1.137 -2.195 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.160 -3.131 2.273 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.740 -3.571 -1.922 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.502 -4.571 0.302 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.614 1.787 -0.664 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.939 1.368 -1.093 1.00 0.00 C ATOM 1679 C TYR B 14 -12.091 1.500 -2.608 1.00 0.00 C ATOM 1680 O TYR B 14 -11.227 2.067 -3.277 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.996 2.192 -0.356 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.273 1.665 1.034 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -14.019 0.508 1.229 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -12.765 2.314 2.150 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -14.251 0.015 2.501 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -12.989 1.828 3.423 1.00 0.00 C ATOM 1687 CZ TYR B 14 -13.733 0.679 3.594 1.00 0.00 C ATOM 1688 OH TYR B 14 -13.954 0.188 4.862 1.00 0.00 O ATOM 0 H TYR B 14 -10.400 2.764 -0.864 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.078 0.316 -0.846 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.663 3.228 -0.289 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.921 2.191 -0.933 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -14.424 -0.014 0.375 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -12.184 3.215 2.021 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -14.834 -0.884 2.637 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -12.584 2.345 4.280 1.00 0.00 H new ATOM 0 HH TYR B 14 -13.521 0.772 5.519 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.201 0.991 -3.175 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.460 1.076 -4.618 1.00 0.00 C ATOM 1700 C PRO B 15 -13.580 2.518 -5.101 1.00 0.00 C ATOM 1701 O PRO B 15 -14.664 3.106 -5.085 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.797 0.364 -4.787 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.430 0.441 -3.441 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.297 0.303 -2.470 1.00 0.00 C ATOM 0 HA PRO B 15 -12.647 0.638 -5.197 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.413 0.849 -5.544 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.659 -0.670 -5.103 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.953 1.387 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.165 -0.352 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.522 0.771 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.059 -0.741 -2.267 1.00 0.00 H new ATOM 1712 N SER B 16 -12.466 3.074 -5.544 1.00 0.00 N ATOM 1713 CA SER B 16 -12.442 4.445 -6.040 1.00 0.00 C ATOM 1714 C SER B 16 -13.524 4.660 -7.087 1.00 0.00 C ATOM 1715 O SER B 16 -14.461 5.428 -6.876 1.00 0.00 O ATOM 1716 CB SER B 16 -11.077 4.774 -6.620 1.00 0.00 C ATOM 1717 OG SER B 16 -10.624 6.030 -6.147 1.00 0.00 O ATOM 0 H SER B 16 -11.564 2.599 -5.572 1.00 0.00 H new ATOM 0 HA SER B 16 -12.638 5.114 -5.202 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.363 3.997 -6.347 1.00 0.00 H new ATOM 0 HB3 SER B 16 -11.132 4.788 -7.709 1.00 0.00 H new ATOM 0 HG SER B 16 -10.457 5.975 -5.183 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.399 3.968 -8.209 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.387 4.090 -9.263 1.00 0.00 C ATOM 1725 C GLY B 17 -15.625 3.259 -8.982 1.00 0.00 C ATOM 1726 O GLY B 17 -16.013 2.419 -9.794 1.00 0.00 O ATOM 0 H GLY B 17 -12.633 3.325 -8.410 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.671 5.137 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.947 3.776 -10.210 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.245 3.495 -7.828 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.448 2.767 -7.440 1.00 0.00 C ATOM 1732 C TYR B 18 -18.622 3.131 -8.347 1.00 0.00 C ATOM 1733 O TYR B 18 -19.468 3.946 -7.981 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.801 3.080 -5.983 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.396 1.911 -5.227 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.805 0.655 -5.273 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.549 2.067 -4.465 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.347 -0.414 -4.578 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.095 1.004 -3.768 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.491 -0.235 -3.828 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.031 -1.296 -3.133 1.00 0.00 O ATOM 0 H TYR B 18 -15.933 4.186 -7.145 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.251 1.700 -7.544 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.901 3.413 -5.466 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.507 3.910 -5.962 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.910 0.509 -5.859 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.026 3.035 -4.417 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.875 -1.385 -4.623 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.990 1.143 -3.180 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.450 -1.920 -3.762 1.00 0.00 H new