USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 781 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 Single : A 4 GLN : amide:sc= -0.911 X(o=-0.91,f=-0.51) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 14 GLN : amide:sc= -0.262 K(o=-0.26,f=-0.92) USER MOD Single : A 16 TYR OH : rot 180:sc=-0.00698 USER MOD Single : A 17 THR OG1 : rot 89:sc= 1.19 USER MOD Single : A 23 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.055) USER MOD Single : A 24 GLN : amide:sc= -2.39 K(o=-2.4,f=-4.8!) USER MOD Single : A 35 TYR OH : rot -152:sc= -1.23 USER MOD Single : A 37 THR OG1 : rot -66:sc= 0.833 USER MOD Single : B 10 THR OG1 : rot 91:sc= -0.484 USER MOD Single : B 14 GLN : amide:sc= -4.17 K(o=-4.2,f=-11!) USER MOD Single : B 16 TYR OH : rot 136:sc= 0.267 USER MOD Single : B 17 THR OG1 : rot 98:sc= 1.06 USER MOD Single : B 23 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.7!) USER MOD Single : B 24 GLN : amide:sc= 0.0126 X(o=0.013,f=-0.37) USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 THR OG1 : rot -15:sc= -0.179 USER MOD Single : C 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 602 ASN :FLIP amide:sc= 0.583 F(o=-1.1,f=0.58) USER MOD Single : C 605 LYS NZ :NH3+ -137:sc=-0.00222 (180deg=-0.0384) USER MOD Single : C 607 GLN : amide:sc= -0.416 K(o=-0.42,f=-2.7!) USER MOD Single : C 609 MET CE :methyl 171:sc= 0 (180deg=-0.148) USER MOD Single : C 610 THR OG1 : rot 180:sc= 0 USER MOD Single : C 613 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -18.219 7.752 -8.963 1.00 0.00 N ATOM 121 CA GLN A 4 -17.930 9.182 -8.873 1.00 0.00 C ATOM 122 C GLN A 4 -16.762 9.455 -7.926 1.00 0.00 C ATOM 123 O GLN A 4 -16.908 9.350 -6.711 1.00 0.00 O ATOM 124 CB GLN A 4 -19.172 9.947 -8.413 1.00 0.00 C ATOM 125 CG GLN A 4 -19.858 9.323 -7.206 1.00 0.00 C ATOM 126 CD GLN A 4 -20.862 8.249 -7.586 1.00 0.00 C ATOM 127 OE1 GLN A 4 -21.962 8.550 -8.051 1.00 0.00 O ATOM 128 NE2 GLN A 4 -20.490 6.989 -7.388 1.00 0.00 N ATOM 0 HA GLN A 4 -17.646 9.529 -9.867 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.889 10.971 -8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.883 10.000 -9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.103 8.891 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -20.366 10.104 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.569 6.784 -7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -21.125 6.227 -7.624 1.00 0.00 H new ATOM 137 N ILE A 5 -15.614 9.819 -8.486 1.00 0.00 N ATOM 138 CA ILE A 5 -14.426 10.119 -7.680 1.00 0.00 C ATOM 139 C ILE A 5 -14.807 10.945 -6.441 1.00 0.00 C ATOM 140 O ILE A 5 -15.022 12.153 -6.541 1.00 0.00 O ATOM 141 CB ILE A 5 -13.361 10.889 -8.504 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.913 10.068 -9.725 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.160 11.240 -7.632 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.471 8.659 -9.389 1.00 0.00 C ATOM 0 H ILE A 5 -15.476 9.915 -9.492 1.00 0.00 H new ATOM 0 HA ILE A 5 -14.000 9.167 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.814 11.814 -8.861 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.735 10.020 -10.439 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.092 10.588 -10.219 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.424 11.780 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.484 11.866 -6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.713 10.325 -7.244 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.170 8.145 -10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.628 8.697 -8.699 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.296 8.120 -8.924 1.00 0.00 H new ATOM 156 N PRO A 6 -14.911 10.302 -5.256 1.00 0.00 N ATOM 157 CA PRO A 6 -15.289 10.990 -4.011 1.00 0.00 C ATOM 158 C PRO A 6 -14.469 12.258 -3.750 1.00 0.00 C ATOM 159 O PRO A 6 -13.264 12.179 -3.517 1.00 0.00 O ATOM 160 CB PRO A 6 -14.999 9.940 -2.931 1.00 0.00 C ATOM 161 CG PRO A 6 -15.178 8.638 -3.625 1.00 0.00 C ATOM 162 CD PRO A 6 -14.687 8.855 -5.030 1.00 0.00 C ATOM 0 HA PRO A 6 -16.323 11.332 -4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.988 10.044 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.682 10.038 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.612 7.849 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.224 8.331 -3.619 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.634 8.591 -5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.239 8.247 -5.746 1.00 0.00 H new ATOM 170 N PRO A 7 -15.103 13.450 -3.767 1.00 0.00 N ATOM 171 CA PRO A 7 -14.397 14.710 -3.511 1.00 0.00 C ATOM 172 C PRO A 7 -13.512 14.627 -2.268 1.00 0.00 C ATOM 173 O PRO A 7 -13.795 13.859 -1.348 1.00 0.00 O ATOM 174 CB PRO A 7 -15.537 15.713 -3.300 1.00 0.00 C ATOM 175 CG PRO A 7 -16.664 15.167 -4.106 1.00 0.00 C ATOM 176 CD PRO A 7 -16.543 13.668 -4.023 1.00 0.00 C ATOM 0 HA PRO A 7 -13.722 14.981 -4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.805 15.795 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.255 16.711 -3.636 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.624 15.504 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.605 15.507 -5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.159 13.260 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.863 13.188 -4.948 1.00 0.00 H new ATOM 184 N GLY A 8 -12.443 15.418 -2.242 1.00 0.00 N ATOM 185 CA GLY A 8 -11.543 15.411 -1.099 1.00 0.00 C ATOM 186 C GLY A 8 -10.488 14.318 -1.179 1.00 0.00 C ATOM 187 O GLY A 8 -9.455 14.399 -0.518 1.00 0.00 O ATOM 0 H GLY A 8 -12.183 16.062 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.049 16.380 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.125 15.281 -0.186 1.00 0.00 H new ATOM 191 N LEU A 9 -10.744 13.293 -1.984 1.00 0.00 N ATOM 192 CA LEU A 9 -9.796 12.197 -2.129 1.00 0.00 C ATOM 193 C LEU A 9 -8.486 12.690 -2.735 1.00 0.00 C ATOM 194 O LEU A 9 -7.420 12.138 -2.470 1.00 0.00 O ATOM 195 CB LEU A 9 -10.393 11.086 -2.997 1.00 0.00 C ATOM 196 CG LEU A 9 -9.687 9.720 -2.886 1.00 0.00 C ATOM 197 CD1 LEU A 9 -10.677 8.623 -2.520 1.00 0.00 C ATOM 198 CD2 LEU A 9 -8.966 9.372 -4.183 1.00 0.00 C ATOM 0 H LEU A 9 -11.593 13.199 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.587 11.795 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.441 10.959 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.369 11.407 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.946 9.793 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.153 7.670 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.140 8.856 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.447 8.557 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.476 8.404 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.687 9.328 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.219 10.135 -4.400 1.00 0.00 H new ATOM 210 N THR A 10 -8.577 13.727 -3.563 1.00 0.00 N ATOM 211 CA THR A 10 -7.402 14.288 -4.222 1.00 0.00 C ATOM 212 C THR A 10 -6.479 14.994 -3.228 1.00 0.00 C ATOM 213 O THR A 10 -5.291 14.696 -3.158 1.00 0.00 O ATOM 214 CB THR A 10 -7.837 15.261 -5.328 1.00 0.00 C ATOM 215 OG1 THR A 10 -9.124 14.922 -5.814 1.00 0.00 O ATOM 216 CG2 THR A 10 -6.895 15.285 -6.514 1.00 0.00 C ATOM 0 H THR A 10 -9.453 14.196 -3.794 1.00 0.00 H new ATOM 0 HA THR A 10 -6.841 13.465 -4.664 1.00 0.00 H new ATOM 0 HB THR A 10 -7.833 16.246 -4.861 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.385 15.553 -6.516 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.263 15.993 -7.257 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.902 15.589 -6.184 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.842 14.290 -6.956 1.00 0.00 H new ATOM 224 N GLU A 11 -7.024 15.929 -2.465 1.00 0.00 N ATOM 225 CA GLU A 11 -6.220 16.660 -1.490 1.00 0.00 C ATOM 226 C GLU A 11 -5.654 15.719 -0.428 1.00 0.00 C ATOM 227 O GLU A 11 -4.611 16.001 0.164 1.00 0.00 O ATOM 228 CB GLU A 11 -7.029 17.791 -0.841 1.00 0.00 C ATOM 229 CG GLU A 11 -8.248 17.322 -0.060 1.00 0.00 C ATOM 230 CD GLU A 11 -7.901 16.783 1.316 1.00 0.00 C ATOM 231 OE1 GLU A 11 -6.739 16.947 1.745 1.00 0.00 O ATOM 232 OE2 GLU A 11 -8.793 16.200 1.965 1.00 0.00 O ATOM 0 H GLU A 11 -8.007 16.199 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.382 17.110 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.376 18.350 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.354 18.482 -1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.946 18.153 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.761 16.546 -0.629 1.00 0.00 H new ATOM 239 N LEU A 12 -6.342 14.604 -0.182 1.00 0.00 N ATOM 240 CA LEU A 12 -5.894 13.635 0.821 1.00 0.00 C ATOM 241 C LEU A 12 -4.665 12.856 0.348 1.00 0.00 C ATOM 242 O LEU A 12 -3.718 12.659 1.109 1.00 0.00 O ATOM 243 CB LEU A 12 -7.022 12.650 1.174 1.00 0.00 C ATOM 244 CG LEU A 12 -7.328 12.503 2.674 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.051 12.263 3.474 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.065 13.730 3.192 1.00 0.00 C ATOM 0 H LEU A 12 -7.207 14.349 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.620 14.202 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.932 12.969 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.762 11.669 0.776 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.972 11.633 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.297 12.163 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.570 11.349 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.373 13.105 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.273 13.608 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.447 14.616 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.003 13.847 2.650 1.00 0.00 H new ATOM 258 N LEU A 13 -4.691 12.400 -0.907 1.00 0.00 N ATOM 259 CA LEU A 13 -3.584 11.631 -1.457 1.00 0.00 C ATOM 260 C LEU A 13 -2.388 12.527 -1.746 1.00 0.00 C ATOM 261 O LEU A 13 -1.240 12.092 -1.666 1.00 0.00 O ATOM 262 CB LEU A 13 -4.019 10.906 -2.737 1.00 0.00 C ATOM 263 CG LEU A 13 -5.120 9.856 -2.559 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.472 9.222 -3.901 1.00 0.00 C ATOM 265 CD2 LEU A 13 -4.695 8.793 -1.552 1.00 0.00 C ATOM 0 H LEU A 13 -5.464 12.552 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.287 10.891 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.363 11.650 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.146 10.421 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.009 10.352 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.256 8.478 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.824 9.993 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.588 8.741 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.492 8.058 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.791 8.298 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.498 9.263 -0.588 1.00 0.00 H new ATOM 277 N GLN A 14 -2.665 13.782 -2.091 1.00 0.00 N ATOM 278 CA GLN A 14 -1.609 14.737 -2.401 1.00 0.00 C ATOM 279 C GLN A 14 -0.719 14.966 -1.187 1.00 0.00 C ATOM 280 O GLN A 14 0.505 15.001 -1.305 1.00 0.00 O ATOM 281 CB GLN A 14 -2.211 16.063 -2.885 1.00 0.00 C ATOM 282 CG GLN A 14 -1.337 16.797 -3.891 1.00 0.00 C ATOM 283 CD GLN A 14 -1.968 18.086 -4.382 1.00 0.00 C ATOM 284 OE1 GLN A 14 -2.878 18.068 -5.211 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.490 19.214 -3.870 1.00 0.00 N ATOM 0 H GLN A 14 -3.610 14.159 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.996 14.323 -3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.184 15.868 -3.336 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.382 16.710 -2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.373 17.020 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.143 16.145 -4.742 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.735 19.183 -3.185 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.878 20.111 -4.162 1.00 0.00 H new ATOM 294 N GLY A 15 -1.336 15.103 -0.018 1.00 0.00 N ATOM 295 CA GLY A 15 -0.571 15.303 1.197 1.00 0.00 C ATOM 296 C GLY A 15 0.437 14.194 1.402 1.00 0.00 C ATOM 297 O GLY A 15 1.590 14.444 1.754 1.00 0.00 O ATOM 0 H GLY A 15 -2.348 15.079 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.055 16.262 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.246 15.346 2.051 1.00 0.00 H new ATOM 301 N TYR A 16 0.000 12.959 1.170 1.00 0.00 N ATOM 302 CA TYR A 16 0.882 11.807 1.319 1.00 0.00 C ATOM 303 C TYR A 16 1.926 11.770 0.205 1.00 0.00 C ATOM 304 O TYR A 16 3.116 11.577 0.458 1.00 0.00 O ATOM 305 CB TYR A 16 0.080 10.503 1.311 1.00 0.00 C ATOM 306 CG TYR A 16 0.956 9.266 1.344 1.00 0.00 C ATOM 307 CD1 TYR A 16 1.800 9.029 2.418 1.00 0.00 C ATOM 308 CD2 TYR A 16 0.949 8.343 0.301 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.610 7.912 2.459 1.00 0.00 C ATOM 310 CE2 TYR A 16 1.759 7.222 0.336 1.00 0.00 C ATOM 311 CZ TYR A 16 2.585 7.011 1.416 1.00 0.00 C ATOM 312 OH TYR A 16 3.394 5.898 1.456 1.00 0.00 O ATOM 0 H TYR A 16 -0.951 12.732 0.881 1.00 0.00 H new ATOM 0 HA TYR A 16 1.392 11.906 2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.589 10.490 2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.546 10.474 0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.824 9.731 3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.301 8.505 -0.548 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.261 7.745 3.305 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.743 6.516 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 16 3.256 5.364 0.646 1.00 0.00 H new ATOM 322 N THR A 17 1.464 11.930 -1.033 1.00 0.00 N ATOM 323 CA THR A 17 2.345 11.887 -2.197 1.00 0.00 C ATOM 324 C THR A 17 3.481 12.903 -2.104 1.00 0.00 C ATOM 325 O THR A 17 4.654 12.539 -2.130 1.00 0.00 O ATOM 326 CB THR A 17 1.545 12.123 -3.480 1.00 0.00 C ATOM 327 OG1 THR A 17 0.326 11.402 -3.448 1.00 0.00 O ATOM 328 CG2 THR A 17 2.288 11.709 -4.738 1.00 0.00 C ATOM 0 H THR A 17 0.482 12.091 -1.256 1.00 0.00 H new ATOM 0 HA THR A 17 2.792 10.893 -2.220 1.00 0.00 H new ATOM 0 HB THR A 17 1.371 13.198 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.367 11.950 -3.025 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.664 11.903 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.213 12.280 -4.819 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.522 10.645 -4.689 1.00 0.00 H new ATOM 336 N VAL A 18 3.127 14.181 -2.008 1.00 0.00 N ATOM 337 CA VAL A 18 4.121 15.248 -1.928 1.00 0.00 C ATOM 338 C VAL A 18 5.140 14.984 -0.823 1.00 0.00 C ATOM 339 O VAL A 18 6.286 15.425 -0.911 1.00 0.00 O ATOM 340 CB VAL A 18 3.450 16.618 -1.681 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.914 16.715 -0.256 1.00 0.00 C ATOM 342 CG2 VAL A 18 4.426 17.748 -1.973 1.00 0.00 C ATOM 0 H VAL A 18 2.160 14.504 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 18 4.638 15.268 -2.887 1.00 0.00 H new ATOM 0 HB VAL A 18 2.604 16.712 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.447 17.689 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.176 15.930 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.735 16.596 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.938 18.706 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.295 17.656 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.746 17.693 -3.014 1.00 0.00 H new ATOM 352 N GLU A 19 4.720 14.275 0.220 1.00 0.00 N ATOM 353 CA GLU A 19 5.605 13.974 1.342 1.00 0.00 C ATOM 354 C GLU A 19 6.628 12.897 0.982 1.00 0.00 C ATOM 355 O GLU A 19 7.765 12.930 1.450 1.00 0.00 O ATOM 356 CB GLU A 19 4.787 13.541 2.565 1.00 0.00 C ATOM 357 CG GLU A 19 5.484 13.824 3.889 1.00 0.00 C ATOM 358 CD GLU A 19 5.363 15.274 4.317 1.00 0.00 C ATOM 359 OE1 GLU A 19 4.270 15.855 4.144 1.00 0.00 O ATOM 360 OE2 GLU A 19 6.360 15.829 4.824 1.00 0.00 O ATOM 0 H GLU A 19 3.776 13.899 0.313 1.00 0.00 H new ATOM 0 HA GLU A 19 6.153 14.885 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.826 14.056 2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.578 12.474 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.059 13.185 4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.538 13.562 3.803 1.00 0.00 H new ATOM 367 N VAL A 20 6.218 11.942 0.154 1.00 0.00 N ATOM 368 CA VAL A 20 7.103 10.855 -0.259 1.00 0.00 C ATOM 369 C VAL A 20 8.260 11.379 -1.111 1.00 0.00 C ATOM 370 O VAL A 20 9.363 10.833 -1.091 1.00 0.00 O ATOM 371 CB VAL A 20 6.314 9.763 -1.042 1.00 0.00 C ATOM 372 CG1 VAL A 20 6.389 9.981 -2.549 1.00 0.00 C ATOM 373 CG2 VAL A 20 6.804 8.366 -0.687 1.00 0.00 C ATOM 0 H VAL A 20 5.280 11.897 -0.245 1.00 0.00 H new ATOM 0 HA VAL A 20 7.516 10.407 0.644 1.00 0.00 H new ATOM 0 HB VAL A 20 5.270 9.851 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.826 9.199 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.964 10.954 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.430 9.947 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.234 7.627 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.861 8.277 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.668 8.193 0.381 1.00 0.00 H new ATOM 383 N LEU A 21 7.984 12.430 -1.875 1.00 0.00 N ATOM 384 CA LEU A 21 8.975 13.030 -2.762 1.00 0.00 C ATOM 385 C LEU A 21 10.003 13.862 -1.994 1.00 0.00 C ATOM 386 O LEU A 21 11.208 13.691 -2.178 1.00 0.00 O ATOM 387 CB LEU A 21 8.265 13.907 -3.796 1.00 0.00 C ATOM 388 CG LEU A 21 7.148 13.211 -4.581 1.00 0.00 C ATOM 389 CD1 LEU A 21 6.480 14.172 -5.567 1.00 0.00 C ATOM 390 CD2 LEU A 21 7.693 11.979 -5.295 1.00 0.00 C ATOM 0 H LEU A 21 7.073 12.888 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 21 9.513 12.223 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.844 14.774 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.006 14.281 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 21 6.383 12.888 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.692 13.648 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.049 15.012 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.222 14.542 -6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.889 11.494 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.481 12.278 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.099 11.283 -4.561 1.00 0.00 H new ATOM 402 N ARG A 22 9.530 14.771 -1.150 1.00 0.00 N ATOM 403 CA ARG A 22 10.429 15.634 -0.380 1.00 0.00 C ATOM 404 C ARG A 22 11.096 14.885 0.776 1.00 0.00 C ATOM 405 O ARG A 22 12.149 15.299 1.260 1.00 0.00 O ATOM 406 CB ARG A 22 9.687 16.867 0.147 1.00 0.00 C ATOM 407 CG ARG A 22 8.639 16.559 1.207 1.00 0.00 C ATOM 408 CD ARG A 22 8.105 17.832 1.865 1.00 0.00 C ATOM 409 NE ARG A 22 6.644 17.846 1.931 1.00 0.00 N ATOM 410 CZ ARG A 22 5.942 18.664 2.716 1.00 0.00 C ATOM 411 NH1 ARG A 22 6.559 19.566 3.472 1.00 0.00 N ATOM 412 NH2 ARG A 22 4.619 18.590 2.737 1.00 0.00 N ATOM 0 H ARG A 22 8.537 14.932 -0.979 1.00 0.00 H new ATOM 0 HA ARG A 22 11.215 15.959 -1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.414 17.564 0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.204 17.372 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.813 16.011 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.072 15.910 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.514 17.918 2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.451 18.701 1.305 1.00 0.00 H new ATOM 0 HE ARG A 22 6.131 17.191 1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.576 19.636 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.015 20.188 4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.137 17.907 2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.083 19.216 3.338 1.00 0.00 H new ATOM 426 N GLN A 23 10.481 13.789 1.223 1.00 0.00 N ATOM 427 CA GLN A 23 11.028 13.001 2.329 1.00 0.00 C ATOM 428 C GLN A 23 11.890 11.861 1.804 1.00 0.00 C ATOM 429 O GLN A 23 12.936 11.545 2.369 1.00 0.00 O ATOM 430 CB GLN A 23 9.892 12.445 3.191 1.00 0.00 C ATOM 431 CG GLN A 23 10.358 11.899 4.532 1.00 0.00 C ATOM 432 CD GLN A 23 10.761 12.994 5.499 1.00 0.00 C ATOM 433 OE1 GLN A 23 9.950 13.460 6.301 1.00 0.00 O ATOM 434 NE2 GLN A 23 12.019 13.412 5.431 1.00 0.00 N ATOM 0 H GLN A 23 9.608 13.428 0.839 1.00 0.00 H new ATOM 0 HA GLN A 23 11.653 13.653 2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.159 13.233 3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.385 11.652 2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.559 11.304 4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.204 11.230 4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.658 12.999 4.752 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.347 14.147 6.058 1.00 0.00 H new ATOM 443 N GLN A 24 11.437 11.252 0.718 1.00 0.00 N ATOM 444 CA GLN A 24 12.153 10.147 0.099 1.00 0.00 C ATOM 445 C GLN A 24 12.346 8.989 1.083 1.00 0.00 C ATOM 446 O GLN A 24 13.445 8.777 1.595 1.00 0.00 O ATOM 447 CB GLN A 24 13.514 10.613 -0.429 1.00 0.00 C ATOM 448 CG GLN A 24 13.443 11.842 -1.323 1.00 0.00 C ATOM 449 CD GLN A 24 12.856 11.540 -2.690 1.00 0.00 C ATOM 450 OE1 GLN A 24 12.296 10.467 -2.916 1.00 0.00 O ATOM 451 NE2 GLN A 24 12.983 12.489 -3.612 1.00 0.00 N ATOM 0 H GLN A 24 10.570 11.507 0.245 1.00 0.00 H new ATOM 0 HA GLN A 24 11.550 9.792 -0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.166 10.829 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.975 9.797 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.840 12.607 -0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.444 12.255 -1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.455 13.364 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.609 12.343 -4.550 1.00 0.00 H new ATOM 460 N PRO A 25 11.276 8.220 1.358 1.00 0.00 N ATOM 461 CA PRO A 25 11.325 7.086 2.273 1.00 0.00 C ATOM 462 C PRO A 25 11.693 5.781 1.561 1.00 0.00 C ATOM 463 O PRO A 25 11.631 5.699 0.335 1.00 0.00 O ATOM 464 CB PRO A 25 9.893 7.034 2.805 1.00 0.00 C ATOM 465 CG PRO A 25 9.042 7.554 1.688 1.00 0.00 C ATOM 466 CD PRO A 25 9.931 8.396 0.794 1.00 0.00 C ATOM 0 HA PRO A 25 12.084 7.199 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.610 6.017 3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.783 7.645 3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.602 6.731 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.217 8.149 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.886 8.061 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.629 9.443 0.804 1.00 0.00 H new ATOM 474 N PRO A 26 12.097 4.745 2.321 1.00 0.00 N ATOM 475 CA PRO A 26 12.486 3.452 1.749 1.00 0.00 C ATOM 476 C PRO A 26 11.292 2.569 1.390 1.00 0.00 C ATOM 477 O PRO A 26 11.366 1.770 0.455 1.00 0.00 O ATOM 478 CB PRO A 26 13.301 2.823 2.878 1.00 0.00 C ATOM 479 CG PRO A 26 12.662 3.343 4.118 1.00 0.00 C ATOM 480 CD PRO A 26 12.222 4.749 3.795 1.00 0.00 C ATOM 0 HA PRO A 26 13.026 3.565 0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.265 1.734 2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.351 3.110 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.813 2.725 4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 26 13.363 3.335 4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.275 4.993 4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.951 5.485 4.133 1.00 0.00 H new ATOM 488 N ASP A 27 10.194 2.704 2.138 1.00 0.00 N ATOM 489 CA ASP A 27 8.996 1.905 1.897 1.00 0.00 C ATOM 490 C ASP A 27 7.747 2.772 1.881 1.00 0.00 C ATOM 491 O ASP A 27 7.658 3.773 2.591 1.00 0.00 O ATOM 492 CB ASP A 27 8.862 0.818 2.966 1.00 0.00 C ATOM 493 CG ASP A 27 9.996 -0.186 2.915 1.00 0.00 C ATOM 494 OD1 ASP A 27 11.143 0.198 3.229 1.00 0.00 O ATOM 495 OD2 ASP A 27 9.738 -1.356 2.562 1.00 0.00 O ATOM 0 H ASP A 27 10.113 3.360 2.915 1.00 0.00 H new ATOM 0 HA ASP A 27 9.098 1.437 0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.836 1.283 3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.913 0.298 2.834 1.00 0.00 H new ATOM 500 N LEU A 28 6.783 2.368 1.066 1.00 0.00 N ATOM 501 CA LEU A 28 5.521 3.086 0.940 1.00 0.00 C ATOM 502 C LEU A 28 4.520 2.591 1.979 1.00 0.00 C ATOM 503 O LEU A 28 3.777 3.380 2.564 1.00 0.00 O ATOM 504 CB LEU A 28 4.940 2.907 -0.467 1.00 0.00 C ATOM 505 CG LEU A 28 5.858 3.327 -1.625 1.00 0.00 C ATOM 506 CD1 LEU A 28 6.428 4.718 -1.384 1.00 0.00 C ATOM 507 CD2 LEU A 28 6.984 2.315 -1.836 1.00 0.00 C ATOM 0 H LEU A 28 6.852 1.539 0.476 1.00 0.00 H new ATOM 0 HA LEU A 28 5.713 4.145 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.675 1.858 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.016 3.481 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 28 5.256 3.353 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.075 4.995 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.612 5.437 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.005 4.719 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.616 2.641 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.583 2.242 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.557 1.339 -2.068 1.00 0.00 H new ATOM 519 N VAL A 29 4.508 1.281 2.205 1.00 0.00 N ATOM 520 CA VAL A 29 3.599 0.683 3.175 1.00 0.00 C ATOM 521 C VAL A 29 3.885 1.204 4.582 1.00 0.00 C ATOM 522 O VAL A 29 2.966 1.522 5.334 1.00 0.00 O ATOM 523 CB VAL A 29 3.692 -0.860 3.165 1.00 0.00 C ATOM 524 CG1 VAL A 29 5.053 -1.331 3.664 1.00 0.00 C ATOM 525 CG2 VAL A 29 2.565 -1.472 3.988 1.00 0.00 C ATOM 0 H VAL A 29 5.117 0.615 1.730 1.00 0.00 H new ATOM 0 HA VAL A 29 2.588 0.970 2.886 1.00 0.00 H new ATOM 0 HB VAL A 29 3.582 -1.199 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.090 -2.420 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.835 -0.931 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.208 -0.979 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.649 -2.559 3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.635 -1.122 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.604 -1.174 3.568 1.00 0.00 H new ATOM 535 N GLU A 30 5.168 1.298 4.926 1.00 0.00 N ATOM 536 CA GLU A 30 5.574 1.791 6.238 1.00 0.00 C ATOM 537 C GLU A 30 5.391 3.301 6.311 1.00 0.00 C ATOM 538 O GLU A 30 4.901 3.834 7.304 1.00 0.00 O ATOM 539 CB GLU A 30 7.031 1.422 6.519 1.00 0.00 C ATOM 540 CG GLU A 30 7.454 1.669 7.958 1.00 0.00 C ATOM 541 CD GLU A 30 8.887 1.250 8.225 1.00 0.00 C ATOM 542 OE1 GLU A 30 9.795 2.084 8.027 1.00 0.00 O ATOM 543 OE2 GLU A 30 9.100 0.089 8.631 1.00 0.00 O ATOM 0 H GLU A 30 5.942 1.039 4.315 1.00 0.00 H new ATOM 0 HA GLU A 30 4.945 1.323 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.183 0.370 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.677 1.996 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.340 2.728 8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.789 1.123 8.627 1.00 0.00 H new ATOM 550 N PHE A 31 5.781 3.983 5.243 1.00 0.00 N ATOM 551 CA PHE A 31 5.651 5.431 5.170 1.00 0.00 C ATOM 552 C PHE A 31 4.180 5.836 5.094 1.00 0.00 C ATOM 553 O PHE A 31 3.809 6.944 5.480 1.00 0.00 O ATOM 554 CB PHE A 31 6.412 5.961 3.956 1.00 0.00 C ATOM 555 CG PHE A 31 6.374 7.456 3.824 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.024 8.259 4.746 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.695 8.059 2.776 1.00 0.00 C ATOM 558 CE1 PHE A 31 6.999 9.635 4.629 1.00 0.00 C ATOM 559 CE2 PHE A 31 5.667 9.435 2.652 1.00 0.00 C ATOM 560 CZ PHE A 31 6.319 10.224 3.580 1.00 0.00 C ATOM 0 H PHE A 31 6.191 3.555 4.413 1.00 0.00 H new ATOM 0 HA PHE A 31 6.078 5.866 6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.451 5.637 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.994 5.515 3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.557 7.803 5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.183 7.447 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.510 10.249 5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.136 9.893 1.831 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.297 11.300 3.486 1.00 0.00 H new ATOM 570 N ALA A 32 3.348 4.925 4.591 1.00 0.00 N ATOM 571 CA ALA A 32 1.917 5.176 4.456 1.00 0.00 C ATOM 572 C ALA A 32 1.216 5.191 5.809 1.00 0.00 C ATOM 573 O ALA A 32 0.472 6.119 6.117 1.00 0.00 O ATOM 574 CB ALA A 32 1.290 4.137 3.543 1.00 0.00 C ATOM 0 H ALA A 32 3.644 4.003 4.270 1.00 0.00 H new ATOM 0 HA ALA A 32 1.791 6.164 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.222 4.333 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.757 4.188 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.441 3.143 3.965 1.00 0.00 H new ATOM 580 N VAL A 33 1.467 4.171 6.621 1.00 0.00 N ATOM 581 CA VAL A 33 0.863 4.092 7.944 1.00 0.00 C ATOM 582 C VAL A 33 1.503 5.122 8.868 1.00 0.00 C ATOM 583 O VAL A 33 0.855 5.616 9.786 1.00 0.00 O ATOM 584 CB VAL A 33 1.009 2.673 8.545 1.00 0.00 C ATOM 585 CG1 VAL A 33 2.443 2.394 8.973 1.00 0.00 C ATOM 586 CG2 VAL A 33 0.055 2.484 9.709 1.00 0.00 C ATOM 0 H VAL A 33 2.082 3.391 6.388 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.201 4.306 7.845 1.00 0.00 H new ATOM 0 HB VAL A 33 0.751 1.955 7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.509 1.389 9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.102 2.472 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.746 3.121 9.727 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.173 1.480 10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.275 3.219 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.970 2.617 9.364 1.00 0.00 H new ATOM 596 N GLU A 34 2.761 5.458 8.629 1.00 0.00 N ATOM 597 CA GLU A 34 3.442 6.445 9.459 1.00 0.00 C ATOM 598 C GLU A 34 2.883 7.845 9.203 1.00 0.00 C ATOM 599 O GLU A 34 2.739 8.647 10.124 1.00 0.00 O ATOM 600 CB GLU A 34 4.951 6.421 9.188 1.00 0.00 C ATOM 601 CG GLU A 34 5.668 5.253 9.849 1.00 0.00 C ATOM 602 CD GLU A 34 7.101 5.104 9.376 1.00 0.00 C ATOM 603 OE1 GLU A 34 7.328 5.138 8.149 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.997 4.956 10.235 1.00 0.00 O ATOM 0 H GLU A 34 3.328 5.068 7.876 1.00 0.00 H new ATOM 0 HA GLU A 34 3.268 6.190 10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.118 6.378 8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.390 7.354 9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.659 5.391 10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.123 4.332 9.641 1.00 0.00 H new ATOM 611 N TYR A 35 2.576 8.129 7.939 1.00 0.00 N ATOM 612 CA TYR A 35 2.038 9.430 7.542 1.00 0.00 C ATOM 613 C TYR A 35 0.545 9.569 7.848 1.00 0.00 C ATOM 614 O TYR A 35 0.086 10.642 8.239 1.00 0.00 O ATOM 615 CB TYR A 35 2.276 9.659 6.049 1.00 0.00 C ATOM 616 CG TYR A 35 1.720 10.972 5.534 1.00 0.00 C ATOM 617 CD1 TYR A 35 0.406 11.068 5.094 1.00 0.00 C ATOM 618 CD2 TYR A 35 2.513 12.113 5.485 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.103 12.263 4.618 1.00 0.00 C ATOM 620 CE2 TYR A 35 2.010 13.312 5.012 1.00 0.00 C ATOM 621 CZ TYR A 35 0.703 13.381 4.579 1.00 0.00 C ATOM 622 OH TYR A 35 0.198 14.572 4.109 1.00 0.00 O ATOM 0 H TYR A 35 2.691 7.472 7.168 1.00 0.00 H new ATOM 0 HA TYR A 35 2.563 10.184 8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.348 9.627 5.853 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.825 8.840 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.229 10.195 5.124 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.538 12.063 5.822 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.127 12.320 4.279 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.638 14.190 4.982 1.00 0.00 H new ATOM 0 HH TYR A 35 0.925 15.108 3.729 1.00 0.00 H new ATOM 632 N PHE A 36 -0.218 8.500 7.629 1.00 0.00 N ATOM 633 CA PHE A 36 -1.665 8.536 7.844 1.00 0.00 C ATOM 634 C PHE A 36 -2.041 8.475 9.325 1.00 0.00 C ATOM 635 O PHE A 36 -2.819 9.303 9.799 1.00 0.00 O ATOM 636 CB PHE A 36 -2.348 7.401 7.064 1.00 0.00 C ATOM 637 CG PHE A 36 -2.816 7.817 5.692 1.00 0.00 C ATOM 638 CD1 PHE A 36 -3.890 8.682 5.556 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.186 7.351 4.547 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.327 9.075 4.306 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.621 7.741 3.293 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.693 8.605 3.173 1.00 0.00 C ATOM 0 H PHE A 36 0.139 7.601 7.304 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.022 9.495 7.469 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.653 6.567 6.966 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.201 7.038 7.637 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.391 9.053 6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.347 6.677 4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.165 9.750 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.123 7.371 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.034 8.912 2.195 1.00 0.00 H new ATOM 652 N THR A 37 -1.511 7.498 10.058 1.00 0.00 N ATOM 653 CA THR A 37 -1.838 7.372 11.477 1.00 0.00 C ATOM 654 C THR A 37 -1.599 8.690 12.207 1.00 0.00 C ATOM 655 O THR A 37 -2.434 9.129 12.998 1.00 0.00 O ATOM 656 CB THR A 37 -1.035 6.250 12.134 1.00 0.00 C ATOM 657 OG1 THR A 37 0.355 6.439 11.943 1.00 0.00 O ATOM 658 CG2 THR A 37 -1.398 4.876 11.620 1.00 0.00 C ATOM 0 H THR A 37 -0.865 6.794 9.702 1.00 0.00 H new ATOM 0 HA THR A 37 -2.896 7.120 11.550 1.00 0.00 H new ATOM 0 HB THR A 37 -1.288 6.299 13.193 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.569 6.354 10.990 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.792 4.126 12.127 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.453 4.682 11.814 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.212 4.828 10.547 1.00 0.00 H new ATOM 666 N ARG A 38 -0.463 9.322 11.932 1.00 0.00 N ATOM 667 CA ARG A 38 -0.131 10.596 12.560 1.00 0.00 C ATOM 668 C ARG A 38 -1.228 11.626 12.296 1.00 0.00 C ATOM 669 O ARG A 38 -1.739 12.256 13.221 1.00 0.00 O ATOM 670 CB ARG A 38 1.212 11.113 12.034 1.00 0.00 C ATOM 671 CG ARG A 38 2.399 10.233 12.413 1.00 0.00 C ATOM 672 CD ARG A 38 2.921 10.545 13.812 1.00 0.00 C ATOM 673 NE ARG A 38 3.894 11.636 13.802 1.00 0.00 N ATOM 674 CZ ARG A 38 5.119 11.534 13.290 1.00 0.00 C ATOM 675 NH1 ARG A 38 5.528 10.393 12.746 1.00 0.00 N ATOM 676 NH2 ARG A 38 5.938 12.576 13.321 1.00 0.00 N ATOM 0 H ARG A 38 0.241 8.975 11.281 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.052 10.439 13.636 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.161 11.191 10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.380 12.119 12.418 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.104 9.185 12.362 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.200 10.374 11.688 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.086 10.810 14.460 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.382 9.652 14.235 1.00 0.00 H new ATOM 0 HE ARG A 38 3.618 12.528 14.212 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.902 9.588 12.719 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.468 10.322 12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.630 13.455 13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.877 12.499 12.929 1.00 0.00 H new ATOM 690 N LEU A 39 -1.589 11.781 11.024 1.00 0.00 N ATOM 691 CA LEU A 39 -2.630 12.720 10.633 1.00 0.00 C ATOM 692 C LEU A 39 -3.938 12.391 11.351 1.00 0.00 C ATOM 693 O LEU A 39 -4.509 13.235 12.039 1.00 0.00 O ATOM 694 CB LEU A 39 -2.819 12.684 9.113 1.00 0.00 C ATOM 695 CG LEU A 39 -4.087 13.359 8.593 1.00 0.00 C ATOM 696 CD1 LEU A 39 -4.193 14.781 9.121 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.111 13.351 7.071 1.00 0.00 C ATOM 0 H LEU A 39 -1.173 11.266 10.248 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.329 13.727 10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.957 13.160 8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.823 11.643 8.789 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.947 12.795 8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.103 15.244 8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.225 14.763 10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.328 15.357 8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.021 13.836 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.243 13.889 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.086 12.322 6.712 1.00 0.00 H new ATOM 709 N ARG A 40 -4.403 11.155 11.196 1.00 0.00 N ATOM 710 CA ARG A 40 -5.638 10.713 11.842 1.00 0.00 C ATOM 711 C ARG A 40 -5.644 11.092 13.326 1.00 0.00 C ATOM 712 O ARG A 40 -6.535 11.798 13.794 1.00 0.00 O ATOM 713 CB ARG A 40 -5.796 9.193 11.695 1.00 0.00 C ATOM 714 CG ARG A 40 -7.243 8.716 11.677 1.00 0.00 C ATOM 715 CD ARG A 40 -8.062 9.327 12.803 1.00 0.00 C ATOM 716 NE ARG A 40 -9.425 8.812 12.808 1.00 0.00 N ATOM 717 CZ ARG A 40 -10.237 8.848 13.865 1.00 0.00 C ATOM 718 NH1 ARG A 40 -9.841 9.404 15.003 1.00 0.00 N ATOM 719 NH2 ARG A 40 -11.457 8.335 13.778 1.00 0.00 N ATOM 0 H ARG A 40 -3.945 10.441 10.630 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.474 11.212 11.353 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.309 8.875 10.773 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.274 8.703 12.517 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.697 8.972 10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.267 7.629 11.761 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.586 9.111 13.760 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.081 10.411 12.694 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.781 8.397 11.947 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.908 9.809 15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.470 9.426 15.806 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.772 7.914 12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.080 8.361 14.585 1.00 0.00 H new ATOM 963 N PRO B 7 8.913 4.182 -7.683 1.00 0.00 N ATOM 964 CA PRO B 7 8.252 3.059 -8.362 1.00 0.00 C ATOM 965 C PRO B 7 7.477 2.153 -7.404 1.00 0.00 C ATOM 966 O PRO B 7 7.914 1.896 -6.282 1.00 0.00 O ATOM 967 CB PRO B 7 9.426 2.307 -8.992 1.00 0.00 C ATOM 968 CG PRO B 7 10.420 3.373 -9.292 1.00 0.00 C ATOM 969 CD PRO B 7 10.293 4.382 -8.178 1.00 0.00 C ATOM 0 HA PRO B 7 7.502 3.397 -9.077 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.834 1.562 -8.310 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.122 1.779 -9.896 1.00 0.00 H new ATOM 0 HG2 PRO B 7 11.430 2.964 -9.336 1.00 0.00 H new ATOM 0 HG3 PRO B 7 10.220 3.833 -10.260 1.00 0.00 H new ATOM 0 HD2 PRO B 7 11.029 4.208 -7.394 1.00 0.00 H new ATOM 0 HD3 PRO B 7 10.446 5.399 -8.539 1.00 0.00 H new ATOM 977 N GLY B 8 6.317 1.676 -7.860 1.00 0.00 N ATOM 978 CA GLY B 8 5.486 0.808 -7.040 1.00 0.00 C ATOM 979 C GLY B 8 4.448 1.578 -6.245 1.00 0.00 C ATOM 980 O GLY B 8 3.438 1.021 -5.823 1.00 0.00 O ATOM 0 H GLY B 8 5.939 1.877 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.984 0.082 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.120 0.245 -6.355 1.00 0.00 H new ATOM 984 N LEU B 9 4.700 2.862 -6.035 1.00 0.00 N ATOM 985 CA LEU B 9 3.783 3.707 -5.282 1.00 0.00 C ATOM 986 C LEU B 9 2.444 3.862 -6.004 1.00 0.00 C ATOM 987 O LEU B 9 1.390 3.861 -5.369 1.00 0.00 O ATOM 988 CB LEU B 9 4.419 5.079 -5.056 1.00 0.00 C ATOM 989 CG LEU B 9 3.671 6.000 -4.084 1.00 0.00 C ATOM 990 CD1 LEU B 9 4.586 7.112 -3.599 1.00 0.00 C ATOM 991 CD2 LEU B 9 2.414 6.584 -4.730 1.00 0.00 C ATOM 0 H LEU B 9 5.533 3.342 -6.376 1.00 0.00 H new ATOM 0 HA LEU B 9 3.589 3.229 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.433 4.933 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.502 5.585 -6.018 1.00 0.00 H new ATOM 0 HG LEU B 9 3.359 5.403 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.041 7.757 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU B 9 5.445 6.679 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU B 9 4.929 7.699 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU B 9 1.906 7.232 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.693 7.162 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU B 9 1.746 5.774 -5.024 1.00 0.00 H new ATOM 1003 N THR B 10 2.478 3.996 -7.325 1.00 0.00 N ATOM 1004 CA THR B 10 1.249 4.160 -8.098 1.00 0.00 C ATOM 1005 C THR B 10 0.235 3.058 -7.796 1.00 0.00 C ATOM 1006 O THR B 10 -0.942 3.334 -7.575 1.00 0.00 O ATOM 1007 CB THR B 10 1.544 4.190 -9.604 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.788 4.822 -9.857 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.478 4.918 -10.417 1.00 0.00 C ATOM 0 H THR B 10 3.334 3.995 -7.880 1.00 0.00 H new ATOM 0 HA THR B 10 0.816 5.115 -7.800 1.00 0.00 H new ATOM 0 HB THR B 10 1.560 3.146 -9.916 1.00 0.00 H new ATOM 0 HG1 THR B 10 3.501 4.150 -9.862 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.750 4.901 -11.472 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.484 4.423 -10.282 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.404 5.951 -10.078 1.00 0.00 H new ATOM 1017 N GLU B 11 0.697 1.809 -7.796 1.00 0.00 N ATOM 1018 CA GLU B 11 -0.181 0.671 -7.531 1.00 0.00 C ATOM 1019 C GLU B 11 -0.674 0.668 -6.085 1.00 0.00 C ATOM 1020 O GLU B 11 -1.761 0.167 -5.795 1.00 0.00 O ATOM 1021 CB GLU B 11 0.523 -0.651 -7.852 1.00 0.00 C ATOM 1022 CG GLU B 11 1.834 -0.850 -7.110 1.00 0.00 C ATOM 1023 CD GLU B 11 2.309 -2.291 -7.136 1.00 0.00 C ATOM 1024 OE1 GLU B 11 1.532 -3.180 -6.728 1.00 0.00 O ATOM 1025 OE2 GLU B 11 3.457 -2.529 -7.564 1.00 0.00 O ATOM 0 H GLU B 11 1.670 1.560 -7.976 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.048 0.773 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -0.148 -1.476 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU B 11 0.714 -0.698 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU B 11 2.598 -0.212 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU B 11 1.713 -0.530 -6.075 1.00 0.00 H new ATOM 1032 N LEU B 12 0.119 1.236 -5.178 1.00 0.00 N ATOM 1033 CA LEU B 12 -0.259 1.296 -3.767 1.00 0.00 C ATOM 1034 C LEU B 12 -1.479 2.196 -3.583 1.00 0.00 C ATOM 1035 O LEU B 12 -2.501 1.765 -3.049 1.00 0.00 O ATOM 1036 CB LEU B 12 0.917 1.799 -2.908 1.00 0.00 C ATOM 1037 CG LEU B 12 1.661 0.717 -2.112 1.00 0.00 C ATOM 1038 CD1 LEU B 12 0.723 0.012 -1.135 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.313 -0.284 -3.055 1.00 0.00 C ATOM 0 H LEU B 12 1.022 1.659 -5.393 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.516 0.289 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.631 2.303 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.541 2.546 -2.209 1.00 0.00 H new ATOM 0 HG LEU B 12 2.445 1.202 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.276 -0.749 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.313 0.740 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.090 -0.459 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.836 -1.044 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.547 -0.759 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.024 0.233 -3.700 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.377 3.437 -4.046 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.487 4.378 -3.948 1.00 0.00 C ATOM 1053 C LEU B 13 -3.698 3.818 -4.693 1.00 0.00 C ATOM 1054 O LEU B 13 -4.841 4.021 -4.287 1.00 0.00 O ATOM 1055 CB LEU B 13 -2.083 5.745 -4.526 1.00 0.00 C ATOM 1056 CG LEU B 13 -1.497 6.746 -3.517 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.535 6.059 -2.552 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -0.808 7.897 -4.246 1.00 0.00 C ATOM 0 H LEU B 13 -0.540 3.814 -4.491 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.748 4.517 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.351 5.583 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.960 6.196 -4.991 1.00 0.00 H new ATOM 0 HG LEU B 13 -2.319 7.154 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -0.137 6.793 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -1.065 5.282 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU B 13 0.285 5.611 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.399 8.596 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.001 7.505 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.532 8.413 -4.877 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.430 3.099 -5.777 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.490 2.490 -6.575 1.00 0.00 C ATOM 1072 C GLN B 14 -5.182 1.390 -5.780 1.00 0.00 C ATOM 1073 O GLN B 14 -6.408 1.343 -5.695 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.917 1.913 -7.882 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.552 2.482 -9.137 1.00 0.00 C ATOM 1076 CD GLN B 14 -5.949 1.946 -9.381 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -6.939 2.645 -9.168 1.00 0.00 O ATOM 1078 NE2 GLN B 14 -6.035 0.698 -9.827 1.00 0.00 N ATOM 0 H GLN B 14 -2.487 2.923 -6.124 1.00 0.00 H new ATOM 0 HA GLN B 14 -5.220 3.260 -6.824 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -2.844 2.103 -7.912 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -4.049 0.831 -7.878 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.593 3.568 -9.058 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -3.923 2.248 -9.996 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.187 0.155 -9.990 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -6.949 0.283 -10.007 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.375 0.510 -5.200 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.903 -0.589 -4.410 1.00 0.00 C ATOM 1089 C GLY B 15 -5.850 -0.122 -3.321 1.00 0.00 C ATOM 1090 O GLY B 15 -6.833 -0.793 -3.008 1.00 0.00 O ATOM 0 H GLY B 15 -3.357 0.538 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.425 -1.285 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -4.076 -1.136 -3.957 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.543 1.033 -2.739 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.358 1.610 -1.674 1.00 0.00 C ATOM 1096 C TYR B 16 -7.582 2.331 -2.239 1.00 0.00 C ATOM 1097 O TYR B 16 -8.707 2.104 -1.797 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.518 2.585 -0.845 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.320 3.365 0.176 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -6.931 2.716 1.240 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -6.469 4.745 0.076 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.665 3.415 2.176 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.204 5.451 1.010 1.00 0.00 C ATOM 1104 CZ TYR B 16 -7.799 4.782 2.057 1.00 0.00 C ATOM 1105 OH TYR B 16 -8.531 5.481 2.989 1.00 0.00 O ATOM 0 H TYR B 16 -4.728 1.593 -2.990 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.707 0.797 -1.038 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.735 2.029 -0.330 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.023 3.286 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.830 1.645 1.337 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.003 5.272 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.133 2.894 2.998 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.311 6.522 0.919 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.047 6.294 3.242 1.00 0.00 H new ATOM 1115 N THR B 17 -7.350 3.216 -3.200 1.00 0.00 N ATOM 1116 CA THR B 17 -8.427 3.991 -3.812 1.00 0.00 C ATOM 1117 C THR B 17 -9.544 3.092 -4.348 1.00 0.00 C ATOM 1118 O THR B 17 -10.718 3.318 -4.061 1.00 0.00 O ATOM 1119 CB THR B 17 -7.864 4.870 -4.931 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.718 5.572 -4.481 1.00 0.00 O ATOM 1121 CG2 THR B 17 -8.848 5.899 -5.449 1.00 0.00 C ATOM 0 H THR B 17 -6.423 3.417 -3.575 1.00 0.00 H new ATOM 0 HA THR B 17 -8.864 4.624 -3.040 1.00 0.00 H new ATOM 0 HB THR B 17 -7.625 4.182 -5.742 1.00 0.00 H new ATOM 0 HG1 THR B 17 -5.910 5.098 -4.769 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.379 6.485 -6.240 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.728 5.393 -5.845 1.00 0.00 H new ATOM 0 HG23 THR B 17 -9.145 6.560 -4.635 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.180 2.074 -5.124 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.170 1.152 -5.690 1.00 0.00 C ATOM 1131 C VAL B 18 -11.142 0.655 -4.621 1.00 0.00 C ATOM 1132 O VAL B 18 -12.318 0.423 -4.896 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.500 -0.075 -6.347 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.662 0.335 -7.553 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.659 -0.830 -5.327 1.00 0.00 C ATOM 0 H VAL B 18 -8.214 1.865 -5.376 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.713 1.716 -6.448 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.285 -0.741 -6.705 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.203 -0.549 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.300 0.820 -8.292 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.883 1.028 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -8.194 -1.692 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.885 -0.171 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.296 -1.169 -4.510 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.635 0.503 -3.399 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.453 0.043 -2.280 1.00 0.00 C ATOM 1147 C GLU B 19 -12.338 1.177 -1.768 1.00 0.00 C ATOM 1148 O GLU B 19 -13.450 0.945 -1.296 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.569 -0.489 -1.146 1.00 0.00 C ATOM 1150 CG GLU B 19 -9.978 -1.861 -1.426 1.00 0.00 C ATOM 1151 CD GLU B 19 -11.033 -2.948 -1.490 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -11.604 -3.158 -2.580 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -11.287 -3.590 -0.449 1.00 0.00 O ATOM 0 H GLU B 19 -9.662 0.692 -3.159 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.089 -0.769 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -9.758 0.217 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -11.158 -0.537 -0.230 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -9.433 -1.832 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -9.255 -2.107 -0.648 1.00 0.00 H new ATOM 1160 N VAL B 20 -11.833 2.403 -1.869 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.573 3.576 -1.419 1.00 0.00 C ATOM 1162 C VAL B 20 -13.789 3.829 -2.304 1.00 0.00 C ATOM 1163 O VAL B 20 -14.907 3.983 -1.816 1.00 0.00 O ATOM 1164 CB VAL B 20 -11.678 4.837 -1.419 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.478 6.072 -1.019 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -10.480 4.649 -0.496 1.00 0.00 C ATOM 0 H VAL B 20 -10.913 2.609 -2.259 1.00 0.00 H new ATOM 0 HA VAL B 20 -12.904 3.373 -0.400 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.307 4.988 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -11.826 6.946 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -13.294 6.222 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.886 5.933 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -9.864 5.548 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -10.829 4.466 0.520 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.889 3.799 -0.836 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.556 3.887 -3.607 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.623 4.137 -4.567 1.00 0.00 C ATOM 1178 C LEU B 21 -15.678 3.031 -4.542 1.00 0.00 C ATOM 1179 O LEU B 21 -16.869 3.290 -4.720 1.00 0.00 O ATOM 1180 CB LEU B 21 -14.038 4.255 -5.980 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.420 5.613 -6.322 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -12.359 5.995 -5.301 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -12.833 5.585 -7.727 1.00 0.00 C ATOM 0 H LEU B 21 -12.634 3.764 -4.026 1.00 0.00 H new ATOM 0 HA LEU B 21 -15.107 5.072 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.276 3.486 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -14.827 4.042 -6.701 1.00 0.00 H new ATOM 0 HG LEU B 21 -14.205 6.369 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -11.933 6.963 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -12.811 6.054 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -11.571 5.242 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -12.397 6.557 -7.958 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -12.061 4.818 -7.784 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -13.621 5.361 -8.446 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.224 1.795 -4.360 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.102 0.633 -4.357 1.00 0.00 C ATOM 1197 C ARG B 22 -16.726 0.362 -2.983 1.00 0.00 C ATOM 1198 O ARG B 22 -17.784 -0.264 -2.899 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.299 -0.578 -4.858 1.00 0.00 C ATOM 1200 CG ARG B 22 -14.487 -1.285 -3.773 1.00 0.00 C ATOM 1201 CD ARG B 22 -15.197 -2.512 -3.201 1.00 0.00 C ATOM 1202 NE ARG B 22 -16.651 -2.462 -3.358 1.00 0.00 N ATOM 1203 CZ ARG B 22 -17.490 -3.317 -2.777 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -17.029 -4.296 -2.008 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -18.797 -3.196 -2.970 1.00 0.00 N ATOM 0 H ARG B 22 -14.240 1.572 -4.211 1.00 0.00 H new ATOM 0 HA ARG B 22 -16.943 0.828 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -15.987 -1.295 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -14.622 -0.250 -5.647 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -13.525 -1.588 -4.186 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -14.280 -0.582 -2.966 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -14.815 -3.407 -3.693 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -14.955 -2.603 -2.142 1.00 0.00 H new ATOM 0 HE ARG B 22 -17.045 -1.729 -3.947 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -16.025 -4.397 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -17.679 -4.947 -1.567 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -19.158 -2.449 -3.563 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -19.441 -3.850 -2.525 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.079 0.819 -1.910 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.594 0.594 -0.554 1.00 0.00 C ATOM 1221 C GLN B 23 -17.221 1.857 0.026 1.00 0.00 C ATOM 1222 O GLN B 23 -18.228 1.791 0.731 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.474 0.101 0.367 1.00 0.00 C ATOM 1224 CG GLN B 23 -15.983 -0.580 1.633 1.00 0.00 C ATOM 1225 CD GLN B 23 -15.010 -0.476 2.791 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -14.162 -1.346 2.985 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -15.132 0.594 3.567 1.00 0.00 N ATOM 0 H GLN B 23 -15.205 1.343 -1.950 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.370 -0.169 -0.621 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -14.843 -0.597 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -14.845 0.947 0.646 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -16.934 -0.133 1.923 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -16.177 -1.632 1.421 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -15.851 1.290 3.367 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -14.507 0.721 4.363 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.617 3.001 -0.269 1.00 0.00 N ATOM 1237 CA GLN B 24 -17.112 4.279 0.229 1.00 0.00 C ATOM 1238 C GLN B 24 -17.172 4.280 1.760 1.00 0.00 C ATOM 1239 O GLN B 24 -18.219 4.002 2.347 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.498 4.574 -0.357 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.502 4.681 -1.877 1.00 0.00 C ATOM 1242 CD GLN B 24 -19.886 4.514 -2.478 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -20.895 4.767 -1.820 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -19.938 4.086 -3.734 1.00 0.00 N ATOM 0 H GLN B 24 -15.782 3.071 -0.851 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.421 5.061 -0.086 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.188 3.786 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.873 5.506 0.066 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -18.099 5.651 -2.169 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -17.838 3.923 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -19.076 3.889 -4.242 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -20.840 3.955 -4.191 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.041 4.582 2.431 1.00 0.00 N ATOM 1254 CA PRO B 25 -15.960 4.604 3.892 1.00 0.00 C ATOM 1255 C PRO B 25 -16.343 5.961 4.482 1.00 0.00 C ATOM 1256 O PRO B 25 -16.518 6.934 3.749 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.483 4.307 4.131 1.00 0.00 C ATOM 1258 CG PRO B 25 -13.791 4.979 2.995 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.740 4.914 1.818 1.00 0.00 C ATOM 0 HA PRO B 25 -16.646 3.901 4.364 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.147 4.699 5.091 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.288 3.235 4.139 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.551 6.013 3.243 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -12.850 4.480 2.763 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.780 5.863 1.284 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.432 4.156 1.098 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.473 6.051 5.821 1.00 0.00 N ATOM 1268 CA PRO B 26 -16.831 7.302 6.494 1.00 0.00 C ATOM 1269 C PRO B 26 -15.683 8.309 6.477 1.00 0.00 C ATOM 1270 O PRO B 26 -15.909 9.517 6.408 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.154 6.870 7.941 1.00 0.00 C ATOM 1272 CG PRO B 26 -17.183 5.375 7.918 1.00 0.00 C ATOM 1273 CD PRO B 26 -16.285 4.961 6.790 1.00 0.00 C ATOM 0 HA PRO B 26 -17.663 7.804 6.001 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -16.400 7.237 8.637 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.112 7.276 8.266 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -16.835 4.963 8.865 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -18.197 5.007 7.764 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -15.246 4.875 7.108 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -16.572 3.995 6.375 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.450 7.802 6.544 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.264 8.651 6.539 1.00 0.00 C ATOM 1283 C ASP B 27 -12.235 8.127 5.553 1.00 0.00 C ATOM 1284 O ASP B 27 -12.362 7.019 5.032 1.00 0.00 O ATOM 1285 CB ASP B 27 -12.662 8.731 7.948 1.00 0.00 C ATOM 1286 CG ASP B 27 -11.926 10.033 8.197 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -10.990 10.342 7.431 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -12.287 10.746 9.158 1.00 0.00 O ATOM 0 H ASP B 27 -14.250 6.804 6.602 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.558 9.653 6.227 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.457 8.621 8.685 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -11.976 7.897 8.093 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.216 8.935 5.308 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.146 8.573 4.390 1.00 0.00 C ATOM 1295 C LEU B 28 -8.912 8.148 5.171 1.00 0.00 C ATOM 1296 O LEU B 28 -8.233 7.186 4.813 1.00 0.00 O ATOM 1297 CB LEU B 28 -9.809 9.755 3.475 1.00 0.00 C ATOM 1298 CG LEU B 28 -10.910 10.140 2.475 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -10.694 11.554 1.951 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -10.960 9.148 1.320 1.00 0.00 C ATOM 0 H LEU B 28 -11.107 9.854 5.736 1.00 0.00 H new ATOM 0 HA LEU B 28 -10.480 7.738 3.774 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -9.584 10.622 4.096 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -8.902 9.517 2.919 1.00 0.00 H new ATOM 0 HG LEU B 28 -11.866 10.109 2.998 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.485 11.805 1.245 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -10.714 12.257 2.783 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -9.728 11.613 1.450 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -11.746 9.439 0.624 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -10.001 9.143 0.803 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -11.169 8.150 1.706 1.00 0.00 H new ATOM 1312 N VAL B 29 -8.633 8.877 6.247 1.00 0.00 N ATOM 1313 CA VAL B 29 -7.481 8.579 7.092 1.00 0.00 C ATOM 1314 C VAL B 29 -7.713 7.313 7.918 1.00 0.00 C ATOM 1315 O VAL B 29 -6.803 6.504 8.084 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.126 9.756 8.047 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -6.224 10.789 7.361 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -8.384 10.417 8.609 1.00 0.00 C ATOM 0 H VAL B 29 -9.187 9.676 6.554 1.00 0.00 H new ATOM 0 HA VAL B 29 -6.641 8.423 6.415 1.00 0.00 H new ATOM 0 HB VAL B 29 -6.568 9.334 8.883 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -5.998 11.595 8.059 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -5.297 10.310 7.047 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -6.736 11.197 6.489 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -8.100 11.235 9.272 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -8.987 10.807 7.789 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -8.963 9.681 9.167 1.00 0.00 H new ATOM 1328 N GLU B 30 -8.928 7.141 8.437 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.252 5.966 9.246 1.00 0.00 C ATOM 1330 C GLU B 30 -9.333 4.714 8.378 1.00 0.00 C ATOM 1331 O GLU B 30 -8.966 3.622 8.811 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.571 6.179 9.995 1.00 0.00 C ATOM 1333 CG GLU B 30 -10.758 5.238 11.175 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.143 5.335 11.784 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -13.099 4.821 11.167 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -12.271 5.925 12.877 1.00 0.00 O ATOM 0 H GLU B 30 -9.700 7.796 8.313 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.454 5.826 9.975 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.615 7.208 10.351 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.400 6.046 9.300 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.579 4.213 10.850 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.013 5.465 11.938 1.00 0.00 H new ATOM 1343 N PHE B 31 -9.808 4.872 7.148 1.00 0.00 N ATOM 1344 CA PHE B 31 -9.909 3.743 6.232 1.00 0.00 C ATOM 1345 C PHE B 31 -8.528 3.362 5.705 1.00 0.00 C ATOM 1346 O PHE B 31 -8.272 2.203 5.379 1.00 0.00 O ATOM 1347 CB PHE B 31 -10.840 4.077 5.067 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.130 2.895 4.185 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.780 1.782 4.694 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -10.751 2.892 2.851 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.047 0.690 3.891 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.015 1.802 2.043 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.665 0.700 2.564 1.00 0.00 C ATOM 0 H PHE B 31 -10.126 5.762 6.765 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.325 2.896 6.778 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -11.778 4.468 5.460 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.391 4.869 4.467 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.081 1.768 5.731 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.244 3.752 2.439 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.554 -0.171 4.301 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.714 1.812 1.006 1.00 0.00 H new ATOM 0 HZ PHE B 31 -11.874 -0.152 1.935 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.639 4.351 5.627 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.277 4.135 5.145 1.00 0.00 C ATOM 1365 C ALA B 32 -5.404 3.491 6.215 1.00 0.00 C ATOM 1366 O ALA B 32 -4.728 2.495 5.959 1.00 0.00 O ATOM 1367 CB ALA B 32 -5.675 5.451 4.681 1.00 0.00 C ATOM 0 H ALA B 32 -7.840 5.315 5.893 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.320 3.448 4.300 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -4.660 5.281 4.323 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.280 5.863 3.873 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -5.653 6.155 5.513 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.425 4.057 7.416 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.632 3.522 8.519 1.00 0.00 C ATOM 1375 C VAL B 33 -4.871 2.021 8.680 1.00 0.00 C ATOM 1376 O VAL B 33 -3.928 1.242 8.786 1.00 0.00 O ATOM 1377 CB VAL B 33 -4.929 4.241 9.856 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -4.373 5.657 9.839 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -6.415 4.238 10.161 1.00 0.00 C ATOM 0 H VAL B 33 -5.978 4.881 7.651 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.586 3.699 8.268 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.429 3.692 10.654 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -4.592 6.145 10.788 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -3.294 5.622 9.690 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -4.834 6.219 9.027 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.593 4.750 11.106 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.951 4.752 9.363 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -6.770 3.210 10.233 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.139 1.622 8.683 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.496 0.213 8.820 1.00 0.00 C ATOM 1391 C GLU B 34 -6.025 -0.589 7.608 1.00 0.00 C ATOM 1392 O GLU B 34 -5.675 -1.762 7.726 1.00 0.00 O ATOM 1393 CB GLU B 34 -8.012 0.064 8.985 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.532 0.520 10.339 1.00 0.00 C ATOM 1395 CD GLU B 34 -10.046 0.494 10.419 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -10.644 -0.532 10.031 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -10.634 1.499 10.870 1.00 0.00 O ATOM 0 H GLU B 34 -6.936 2.253 8.592 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.999 -0.178 9.708 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.511 0.637 8.203 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.283 -0.981 8.836 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.119 -0.121 11.118 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.178 1.532 10.538 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.032 0.052 6.444 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.619 -0.598 5.202 1.00 0.00 C ATOM 1406 C TYR B 35 -4.115 -0.865 5.178 1.00 0.00 C ATOM 1407 O TYR B 35 -3.685 -1.945 4.775 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.016 0.270 4.003 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.650 -0.323 2.654 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.342 -0.275 2.186 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -6.614 -0.918 1.846 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -4.006 -0.803 0.953 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -6.283 -1.449 0.612 1.00 0.00 C ATOM 1414 CZ TYR B 35 -4.978 -1.388 0.170 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.645 -1.914 -1.056 1.00 0.00 O ATOM 0 H TYR B 35 -6.320 1.024 6.333 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.128 -1.560 5.142 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.092 0.439 4.032 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.537 1.244 4.100 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -3.576 0.182 2.795 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -7.637 -0.966 2.188 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -2.985 -0.757 0.604 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -7.043 -1.909 -0.002 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.445 -2.289 -1.479 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.310 0.113 5.587 1.00 0.00 N ATOM 1426 CA PHE B 36 -1.858 -0.050 5.580 1.00 0.00 C ATOM 1427 C PHE B 36 -1.371 -0.893 6.762 1.00 0.00 C ATOM 1428 O PHE B 36 -0.337 -1.554 6.671 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.172 1.319 5.571 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.253 2.004 4.232 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.425 1.612 3.194 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.163 3.028 4.008 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.497 2.227 1.960 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.242 3.645 2.773 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.407 3.244 1.747 1.00 0.00 C ATOM 0 H PHE B 36 -3.635 1.019 5.925 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.589 -0.587 4.670 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -1.631 1.955 6.328 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.125 1.197 5.849 1.00 0.00 H new ATOM 0 HD1 PHE B 36 0.286 0.815 3.352 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -2.816 3.346 4.807 1.00 0.00 H new ATOM 0 HE1 PHE B 36 0.158 1.913 1.161 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -2.955 4.439 2.610 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.466 3.725 0.782 1.00 0.00 H new ATOM 1445 N THR B 37 -2.117 -0.877 7.864 1.00 0.00 N ATOM 1446 CA THR B 37 -1.741 -1.654 9.047 1.00 0.00 C ATOM 1447 C THR B 37 -1.979 -3.146 8.812 1.00 0.00 C ATOM 1448 O THR B 37 -1.215 -3.987 9.283 1.00 0.00 O ATOM 1449 CB THR B 37 -2.527 -1.192 10.279 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.924 -1.323 10.071 1.00 0.00 O ATOM 1451 CG2 THR B 37 -2.252 0.247 10.671 1.00 0.00 C ATOM 0 H THR B 37 -2.978 -0.340 7.965 1.00 0.00 H new ATOM 0 HA THR B 37 -0.679 -1.489 9.228 1.00 0.00 H new ATOM 0 HB THR B 37 -2.188 -1.840 11.087 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.102 -1.445 9.115 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.843 0.504 11.550 1.00 0.00 H new ATOM 0 HG22 THR B 37 -1.193 0.366 10.898 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.523 0.907 9.847 1.00 0.00 H new ATOM 1459 N ARG B 38 -3.040 -3.462 8.076 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.370 -4.854 7.774 1.00 0.00 C ATOM 1461 C ARG B 38 -2.331 -5.450 6.825 1.00 0.00 C ATOM 1462 O ARG B 38 -1.992 -6.629 6.920 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.788 -4.964 7.180 1.00 0.00 C ATOM 1464 CG ARG B 38 -4.836 -5.025 5.657 1.00 0.00 C ATOM 1465 CD ARG B 38 -6.258 -4.880 5.132 1.00 0.00 C ATOM 1466 NE ARG B 38 -6.369 -5.293 3.734 1.00 0.00 N ATOM 1467 CZ ARG B 38 -5.906 -4.581 2.707 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -5.317 -3.410 2.908 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -6.040 -5.042 1.470 1.00 0.00 N ATOM 0 H ARG B 38 -3.684 -2.778 7.679 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.353 -5.424 8.703 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.267 -5.857 7.581 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -5.375 -4.109 7.515 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -4.212 -4.234 5.241 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -4.418 -5.972 5.317 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -6.933 -5.480 5.742 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -6.577 -3.842 5.230 1.00 0.00 H new ATOM 0 HE ARG B 38 -6.829 -6.181 3.532 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -5.215 -3.046 3.856 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -4.966 -2.873 2.115 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -6.497 -5.939 1.307 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -5.686 -4.499 0.682 1.00 0.00 H new ATOM 1483 N LEU B 39 -1.837 -4.626 5.907 1.00 0.00 N ATOM 1484 CA LEU B 39 -0.843 -5.067 4.932 1.00 0.00 C ATOM 1485 C LEU B 39 0.490 -5.380 5.609 1.00 0.00 C ATOM 1486 O LEU B 39 1.022 -6.483 5.476 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.651 -3.997 3.848 1.00 0.00 C ATOM 1488 CG LEU B 39 -0.188 -4.523 2.486 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -0.201 -3.406 1.452 1.00 0.00 C ATOM 1490 CD2 LEU B 39 1.202 -5.139 2.593 1.00 0.00 C ATOM 0 H LEU B 39 -2.109 -3.647 5.817 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.208 -5.982 4.466 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.594 -3.466 3.713 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.077 -3.268 4.205 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.881 -5.299 2.163 1.00 0.00 H new ATOM 0 HD11 LEU B 39 0.131 -3.797 0.490 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.213 -3.012 1.354 1.00 0.00 H new ATOM 0 HD13 LEU B 39 0.470 -2.608 1.770 1.00 0.00 H new ATOM 0 HD21 LEU B 39 1.513 -5.507 1.615 1.00 0.00 H new ATOM 0 HD22 LEU B 39 1.909 -4.385 2.939 1.00 0.00 H new ATOM 0 HD23 LEU B 39 1.180 -5.967 3.302 1.00 0.00 H new ATOM 1502 N ARG B 40 1.027 -4.403 6.332 1.00 0.00 N ATOM 1503 CA ARG B 40 2.302 -4.575 7.024 1.00 0.00 C ATOM 1504 C ARG B 40 2.236 -5.736 8.014 1.00 0.00 C ATOM 1505 O ARG B 40 3.003 -6.693 7.914 1.00 0.00 O ATOM 1506 CB ARG B 40 2.706 -3.275 7.747 1.00 0.00 C ATOM 1507 CG ARG B 40 3.990 -2.657 7.217 1.00 0.00 C ATOM 1508 CD ARG B 40 4.387 -1.429 8.016 1.00 0.00 C ATOM 1509 NE ARG B 40 4.797 -1.779 9.371 1.00 0.00 N ATOM 1510 CZ ARG B 40 5.025 -0.888 10.334 1.00 0.00 C ATOM 1511 NH1 ARG B 40 4.894 0.410 10.093 1.00 0.00 N ATOM 1512 NH2 ARG B 40 5.387 -1.298 11.542 1.00 0.00 N ATOM 0 H ARG B 40 0.601 -3.484 6.455 1.00 0.00 H new ATOM 0 HA ARG B 40 3.061 -4.808 6.277 1.00 0.00 H new ATOM 0 HB2 ARG B 40 1.898 -2.550 7.652 1.00 0.00 H new ATOM 0 HB3 ARG B 40 2.825 -3.482 8.810 1.00 0.00 H new ATOM 0 HG2 ARG B 40 4.793 -3.393 7.256 1.00 0.00 H new ATOM 0 HG3 ARG B 40 3.859 -2.384 6.170 1.00 0.00 H new ATOM 0 HD2 ARG B 40 5.203 -0.913 7.510 1.00 0.00 H new ATOM 0 HD3 ARG B 40 3.548 -0.734 8.057 1.00 0.00 H new ATOM 0 HE ARG B 40 4.916 -2.767 9.595 1.00 0.00 H new ATOM 0 HH11 ARG B 40 4.617 0.731 9.165 1.00 0.00 H new ATOM 0 HH12 ARG B 40 5.070 1.087 10.835 1.00 0.00 H new ATOM 0 HH21 ARG B 40 5.490 -2.295 11.733 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.562 -0.617 12.281 1.00 0.00 H new ATOM 1754 N GLU C 591 -14.273 -3.820 -13.044 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.762 -3.069 -14.191 1.00 0.00 C ATOM 1756 C GLU C 591 -13.762 -1.557 -13.939 1.00 0.00 C ATOM 1757 O GLU C 591 -12.731 -0.979 -13.595 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.588 -3.396 -15.441 1.00 0.00 C ATOM 1759 CG GLU C 591 -14.283 -4.766 -16.033 1.00 0.00 C ATOM 1760 CD GLU C 591 -13.032 -4.772 -16.892 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -12.079 -4.035 -16.560 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -13.005 -5.513 -17.897 1.00 0.00 O ATOM 0 HA GLU C 591 -12.727 -3.372 -14.346 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.647 -3.346 -15.189 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -14.404 -2.633 -16.198 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -14.166 -5.488 -15.225 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -15.132 -5.094 -16.633 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.921 -0.919 -14.122 1.00 0.00 N ATOM 1770 CA GLU C 592 -15.061 0.530 -13.928 1.00 0.00 C ATOM 1771 C GLU C 592 -14.444 0.991 -12.607 1.00 0.00 C ATOM 1772 O GLU C 592 -13.996 2.130 -12.480 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.544 0.935 -13.996 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.501 -0.152 -13.523 1.00 0.00 C ATOM 1775 CD GLU C 592 -18.834 0.395 -13.047 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -19.722 0.620 -13.897 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -18.990 0.599 -11.824 1.00 0.00 O ATOM 0 H GLU C 592 -15.782 -1.385 -14.406 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.517 1.024 -14.733 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -16.695 1.828 -13.390 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.791 1.202 -15.024 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -17.674 -0.855 -14.338 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -17.034 -0.711 -12.712 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.419 0.086 -11.636 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.852 0.376 -10.327 1.00 0.00 C ATOM 1786 C ILE C 593 -12.342 0.550 -10.433 1.00 0.00 C ATOM 1787 O ILE C 593 -11.753 1.368 -9.725 1.00 0.00 O ATOM 1788 CB ILE C 593 -14.191 -0.752 -9.319 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.678 -0.694 -8.948 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -13.327 -0.673 -8.062 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -16.045 0.462 -8.035 1.00 0.00 C ATOM 0 H ILE C 593 -14.788 -0.860 -11.733 1.00 0.00 H new ATOM 0 HA ILE C 593 -14.290 1.305 -9.963 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.975 -1.705 -9.802 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -16.267 -0.622 -9.862 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.957 -1.629 -8.462 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -13.598 -1.482 -7.383 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -12.276 -0.766 -8.336 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -13.490 0.285 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -17.113 0.431 -7.821 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -15.485 0.381 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.800 1.404 -8.525 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.717 -0.206 -11.334 1.00 0.00 N ATOM 1804 CA TRP C 594 -10.277 -0.111 -11.545 1.00 0.00 C ATOM 1805 C TRP C 594 -9.908 1.058 -12.441 1.00 0.00 C ATOM 1806 O TRP C 594 -8.965 1.797 -12.160 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.718 -1.406 -12.137 1.00 0.00 C ATOM 1808 CG TRP C 594 -8.255 -1.310 -12.441 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.681 -0.819 -13.578 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -7.180 -1.692 -11.582 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -6.312 -0.872 -13.477 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.980 -1.409 -12.260 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -7.118 -2.248 -10.305 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.732 -1.664 -11.696 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -5.882 -2.501 -9.748 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.705 -2.209 -10.441 1.00 0.00 C ATOM 0 H TRP C 594 -12.186 -0.890 -11.928 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.831 0.056 -10.565 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.888 -2.225 -11.438 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -10.261 -1.649 -13.050 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -8.224 -0.443 -14.433 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.651 -0.563 -14.190 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -8.023 -2.477 -9.761 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.820 -1.440 -12.229 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -5.823 -2.932 -8.760 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.753 -2.418 -9.976 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.651 1.216 -13.527 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.395 2.288 -14.471 1.00 0.00 C ATOM 1829 C LYS C 595 -10.473 3.647 -13.787 1.00 0.00 C ATOM 1830 O LYS C 595 -9.627 4.511 -14.015 1.00 0.00 O ATOM 1831 CB LYS C 595 -11.404 2.217 -15.621 1.00 0.00 C ATOM 1832 CG LYS C 595 -11.240 0.981 -16.509 1.00 0.00 C ATOM 1833 CD LYS C 595 -12.582 0.341 -16.863 1.00 0.00 C ATOM 1834 CE LYS C 595 -13.517 1.317 -17.577 1.00 0.00 C ATOM 1835 NZ LYS C 595 -13.623 1.021 -19.033 1.00 0.00 N ATOM 0 H LYS C 595 -11.436 0.614 -13.774 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.387 2.166 -14.867 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -12.413 2.226 -15.208 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -11.304 3.111 -16.236 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -10.720 1.261 -17.425 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -10.614 0.249 -15.998 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -12.412 -0.528 -17.499 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -13.062 -0.019 -15.953 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -14.507 1.268 -17.124 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -13.153 2.335 -17.439 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -14.266 1.705 -19.480 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -12.682 1.092 -19.471 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -13.995 0.059 -19.165 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.505 3.853 -12.977 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.686 5.139 -12.308 1.00 0.00 C ATOM 1851 C LYS C 596 -10.618 5.403 -11.250 1.00 0.00 C ATOM 1852 O LYS C 596 -9.924 6.416 -11.317 1.00 0.00 O ATOM 1853 CB LYS C 596 -13.079 5.217 -11.674 1.00 0.00 C ATOM 1854 CG LYS C 596 -14.219 5.201 -12.686 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.399 6.549 -13.380 1.00 0.00 C ATOM 1856 CE LYS C 596 -14.919 7.621 -12.428 1.00 0.00 C ATOM 1857 NZ LYS C 596 -15.612 8.718 -13.157 1.00 0.00 N ATOM 0 H LYS C 596 -12.221 3.157 -12.768 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.586 5.911 -13.071 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -13.203 4.379 -10.988 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -13.147 6.128 -11.079 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -14.026 4.433 -13.435 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -15.146 4.928 -12.181 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -13.446 6.870 -13.800 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -15.093 6.437 -14.213 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -15.606 7.169 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -14.088 8.033 -11.856 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -15.951 9.427 -12.476 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -14.949 9.166 -13.822 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -16.420 8.329 -13.683 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.490 4.518 -10.258 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.511 4.703 -9.192 1.00 0.00 C ATOM 1873 C ALA C 597 -8.124 5.045 -9.737 1.00 0.00 C ATOM 1874 O ALA C 597 -7.349 5.748 -9.088 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.442 3.445 -8.348 1.00 0.00 C ATOM 0 H ALA C 597 -11.051 3.670 -10.174 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.835 5.546 -8.582 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.711 3.581 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -10.421 3.245 -7.912 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -9.144 2.603 -8.973 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.817 4.543 -10.930 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.523 4.794 -11.558 1.00 0.00 C ATOM 1883 C GLU C 598 -6.349 6.283 -11.864 1.00 0.00 C ATOM 1884 O GLU C 598 -5.245 6.817 -11.760 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.378 3.954 -12.838 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.786 2.573 -12.601 1.00 0.00 C ATOM 1887 CD GLU C 598 -5.488 1.841 -13.895 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -6.449 1.486 -14.610 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -4.295 1.623 -14.193 1.00 0.00 O ATOM 0 H GLU C 598 -8.447 3.960 -11.481 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.738 4.499 -10.861 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -7.358 3.844 -13.303 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.748 4.493 -13.546 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -4.868 2.669 -12.022 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -6.480 1.981 -12.004 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.436 6.954 -12.232 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.380 8.380 -12.537 1.00 0.00 C ATOM 1898 C GLU C 599 -6.991 9.175 -11.293 1.00 0.00 C ATOM 1899 O GLU C 599 -6.168 10.088 -11.361 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.729 8.867 -13.072 1.00 0.00 C ATOM 1901 CG GLU C 599 -8.675 10.257 -13.685 1.00 0.00 C ATOM 1902 CD GLU C 599 -9.942 10.612 -14.439 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -11.027 10.587 -13.822 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -9.848 10.916 -15.647 1.00 0.00 O ATOM 0 H GLU C 599 -8.362 6.536 -12.326 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.623 8.538 -13.305 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -9.089 8.162 -13.822 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -9.455 8.866 -12.259 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -8.508 10.991 -12.897 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -7.824 10.318 -14.363 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.592 8.831 -10.161 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.316 9.521 -8.905 1.00 0.00 C ATOM 1913 C ALA C 600 -5.824 9.539 -8.571 1.00 0.00 C ATOM 1914 O ALA C 600 -5.309 10.534 -8.062 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.099 8.875 -7.774 1.00 0.00 C ATOM 0 H ALA C 600 -8.275 8.077 -10.086 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.633 10.557 -9.024 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.887 9.396 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.166 8.935 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.807 7.829 -7.680 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.135 8.431 -8.840 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.706 8.333 -8.538 1.00 0.00 C ATOM 1923 C VAL C 601 -2.853 9.129 -9.515 1.00 0.00 C ATOM 1924 O VAL C 601 -1.921 9.818 -9.114 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.219 6.870 -8.527 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.793 6.787 -8.002 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -4.156 6.019 -7.688 1.00 0.00 C ATOM 0 H VAL C 601 -5.538 7.595 -9.263 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.588 8.758 -7.541 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.224 6.487 -9.548 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.466 5.747 -8.001 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.135 7.374 -8.642 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.756 7.180 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.806 4.987 -7.685 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -4.176 6.399 -6.666 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.160 6.060 -8.110 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.185 9.044 -10.795 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.446 9.772 -11.819 1.00 0.00 C ATOM 1939 C ASN C 602 -2.621 11.274 -11.630 1.00 0.00 C ATOM 1940 O ASN C 602 -1.690 12.049 -11.848 1.00 0.00 O ATOM 1941 CB ASN C 602 -2.920 9.358 -13.214 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.543 7.928 -13.553 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -1.516 7.763 -14.379 1.00 0.00 O flip ATOM 1944 ND2 ASN C 602 -3.167 6.980 -13.075 1.00 0.00 N flip ATOM 0 H ASN C 602 -3.958 8.481 -11.149 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.388 9.527 -11.722 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.003 9.469 -13.275 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -2.488 10.030 -13.956 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -3.950 7.151 -12.444 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -2.901 6.024 -13.310 1.00 0.00 H new ATOM 1951 N GLU C 603 -3.816 11.678 -11.226 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.109 13.090 -11.011 1.00 0.00 C ATOM 1953 C GLU C 603 -3.369 13.630 -9.791 1.00 0.00 C ATOM 1954 O GLU C 603 -2.615 14.596 -9.902 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.616 13.297 -10.847 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.048 14.749 -10.970 1.00 0.00 C ATOM 1957 CD GLU C 603 -7.541 14.931 -10.776 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -8.066 14.460 -9.745 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -8.183 15.543 -11.654 1.00 0.00 O ATOM 0 H GLU C 603 -4.598 11.051 -11.040 1.00 0.00 H new ATOM 0 HA GLU C 603 -3.765 13.642 -11.886 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.139 12.706 -11.599 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -5.923 12.917 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -5.514 15.347 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -5.764 15.127 -11.952 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.586 13.029 -8.620 1.00 0.00 N ATOM 1967 CA VAL C 604 -2.933 13.493 -7.402 1.00 0.00 C ATOM 1968 C VAL C 604 -1.412 13.414 -7.500 1.00 0.00 C ATOM 1969 O VAL C 604 -0.698 14.177 -6.849 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.407 12.718 -6.155 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -2.934 11.275 -6.192 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -2.928 13.412 -4.882 1.00 0.00 C ATOM 0 H VAL C 604 -4.204 12.227 -8.493 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.222 14.538 -7.292 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.497 12.710 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.283 10.755 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.334 10.784 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.845 11.250 -6.223 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.271 12.853 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -1.839 13.456 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -3.332 14.424 -4.845 1.00 0.00 H new ATOM 1982 N LYS C 605 -0.918 12.485 -8.320 1.00 0.00 N ATOM 1983 CA LYS C 605 0.524 12.314 -8.497 1.00 0.00 C ATOM 1984 C LYS C 605 1.095 13.427 -9.367 1.00 0.00 C ATOM 1985 O LYS C 605 2.105 14.039 -9.019 1.00 0.00 O ATOM 1986 CB LYS C 605 0.845 10.946 -9.117 1.00 0.00 C ATOM 1987 CG LYS C 605 0.957 9.808 -8.096 1.00 0.00 C ATOM 1988 CD LYS C 605 2.182 8.934 -8.345 1.00 0.00 C ATOM 1989 CE LYS C 605 2.043 8.092 -9.612 1.00 0.00 C ATOM 1990 NZ LYS C 605 2.889 8.605 -10.727 1.00 0.00 N ATOM 0 H LYS C 605 -1.491 11.844 -8.868 1.00 0.00 H new ATOM 0 HA LYS C 605 0.988 12.364 -7.512 1.00 0.00 H new ATOM 0 HB2 LYS C 605 0.069 10.696 -9.841 1.00 0.00 H new ATOM 0 HB3 LYS C 605 1.783 11.019 -9.668 1.00 0.00 H new ATOM 0 HG2 LYS C 605 1.009 10.227 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS C 605 0.058 9.193 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS C 605 3.066 9.566 -8.426 1.00 0.00 H new ATOM 0 HD3 LYS C 605 2.337 8.277 -7.489 1.00 0.00 H new ATOM 0 HE2 LYS C 605 2.321 7.061 -9.393 1.00 0.00 H new ATOM 0 HE3 LYS C 605 0.999 8.081 -9.926 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 2.345 8.586 -11.613 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 3.180 9.582 -10.521 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 3.733 8.006 -10.826 1.00 0.00 H new ATOM 2004 N ARG C 606 0.437 13.705 -10.483 1.00 0.00 N ATOM 2005 CA ARG C 606 0.885 14.766 -11.372 1.00 0.00 C ATOM 2006 C ARG C 606 0.785 16.116 -10.662 1.00 0.00 C ATOM 2007 O ARG C 606 1.478 17.069 -11.017 1.00 0.00 O ATOM 2008 CB ARG C 606 0.056 14.772 -12.662 1.00 0.00 C ATOM 2009 CG ARG C 606 0.536 15.774 -13.708 1.00 0.00 C ATOM 2010 CD ARG C 606 1.793 15.299 -14.429 1.00 0.00 C ATOM 2011 NE ARG C 606 2.500 16.402 -15.080 1.00 0.00 N ATOM 2012 CZ ARG C 606 2.111 16.967 -16.222 1.00 0.00 C ATOM 2013 NH1 ARG C 606 1.018 16.545 -16.845 1.00 0.00 N ATOM 2014 NH2 ARG C 606 2.819 17.962 -16.741 1.00 0.00 N ATOM 0 H ARG C 606 -0.402 13.215 -10.793 1.00 0.00 H new ATOM 0 HA ARG C 606 1.926 14.586 -11.639 1.00 0.00 H new ATOM 0 HB2 ARG C 606 0.074 13.773 -13.097 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -0.982 14.993 -12.413 1.00 0.00 H new ATOM 0 HG2 ARG C 606 -0.257 15.943 -14.437 1.00 0.00 H new ATOM 0 HG3 ARG C 606 0.736 16.731 -13.226 1.00 0.00 H new ATOM 0 HD2 ARG C 606 2.458 14.812 -13.716 1.00 0.00 H new ATOM 0 HD3 ARG C 606 1.523 14.551 -15.174 1.00 0.00 H new ATOM 0 HE ARG C 606 3.343 16.761 -14.632 1.00 0.00 H new ATOM 0 HH11 ARG C 606 0.468 15.782 -16.450 1.00 0.00 H new ATOM 0 HH12 ARG C 606 0.728 16.984 -17.719 1.00 0.00 H new ATOM 0 HH21 ARG C 606 3.659 18.292 -16.266 1.00 0.00 H new ATOM 0 HH22 ARG C 606 2.523 18.396 -17.615 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.087 16.190 -9.658 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.282 17.427 -8.899 1.00 0.00 C ATOM 2030 C GLN C 607 0.816 17.646 -7.846 1.00 0.00 C ATOM 2031 O GLN C 607 1.507 18.663 -7.880 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.673 17.425 -8.227 1.00 0.00 C ATOM 2033 CG GLN C 607 -2.722 18.294 -8.936 1.00 0.00 C ATOM 2034 CD GLN C 607 -3.998 17.539 -9.267 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -4.372 17.413 -10.432 1.00 0.00 O ATOM 2036 NE2 GLN C 607 -4.672 17.035 -8.239 1.00 0.00 N ATOM 0 H GLN C 607 -0.669 15.411 -9.351 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.220 18.254 -9.606 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.039 16.399 -8.181 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.567 17.771 -7.199 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -2.966 19.147 -8.303 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -2.294 18.692 -9.856 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -4.324 17.164 -7.289 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.537 16.519 -8.400 1.00 0.00 H new ATOM 2045 N ALA C 608 0.974 16.707 -6.900 1.00 0.00 N ATOM 2046 CA ALA C 608 1.981 16.824 -5.837 1.00 0.00 C ATOM 2047 C ALA C 608 3.359 17.218 -6.365 1.00 0.00 C ATOM 2048 O ALA C 608 4.107 17.929 -5.694 1.00 0.00 O ATOM 2049 CB ALA C 608 2.076 15.509 -5.080 1.00 0.00 C ATOM 0 H ALA C 608 0.414 15.856 -6.851 1.00 0.00 H new ATOM 0 HA ALA C 608 1.656 17.624 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.823 15.596 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA C 608 1.108 15.273 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.365 14.714 -5.767 1.00 0.00 H new ATOM 2055 N MET C 609 3.691 16.760 -7.561 1.00 0.00 N ATOM 2056 CA MET C 609 4.988 17.083 -8.152 1.00 0.00 C ATOM 2057 C MET C 609 5.093 18.583 -8.419 1.00 0.00 C ATOM 2058 O MET C 609 6.180 19.155 -8.347 1.00 0.00 O ATOM 2059 CB MET C 609 5.223 16.294 -9.444 1.00 0.00 C ATOM 2060 CG MET C 609 4.099 16.422 -10.457 1.00 0.00 C ATOM 2061 SD MET C 609 4.594 15.933 -12.121 1.00 0.00 S ATOM 2062 CE MET C 609 5.102 14.239 -11.840 1.00 0.00 C ATOM 0 H MET C 609 3.092 16.170 -8.139 1.00 0.00 H new ATOM 0 HA MET C 609 5.761 16.797 -7.439 1.00 0.00 H new ATOM 0 HB2 MET C 609 6.152 16.634 -9.902 1.00 0.00 H new ATOM 0 HB3 MET C 609 5.357 15.241 -9.196 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.258 15.807 -10.138 1.00 0.00 H new ATOM 0 HG3 MET C 609 3.750 17.454 -10.476 1.00 0.00 H new ATOM 0 HE1 MET C 609 5.283 13.750 -12.797 1.00 0.00 H new ATOM 0 HE2 MET C 609 6.017 14.227 -11.247 1.00 0.00 H new ATOM 0 HE3 MET C 609 4.316 13.707 -11.304 1.00 0.00 H new ATOM 2072 N THR C 610 3.963 19.223 -8.709 1.00 0.00 N ATOM 2073 CA THR C 610 3.947 20.661 -8.961 1.00 0.00 C ATOM 2074 C THR C 610 4.229 21.414 -7.660 1.00 0.00 C ATOM 2075 O THR C 610 4.946 22.415 -7.650 1.00 0.00 O ATOM 2076 CB THR C 610 2.600 21.089 -9.578 1.00 0.00 C ATOM 2077 OG1 THR C 610 2.806 22.030 -10.616 1.00 0.00 O ATOM 2078 CG2 THR C 610 1.623 21.707 -8.594 1.00 0.00 C ATOM 0 H THR C 610 3.051 18.771 -8.775 1.00 0.00 H new ATOM 0 HA THR C 610 4.729 20.909 -9.679 1.00 0.00 H new ATOM 0 HB THR C 610 2.162 20.161 -9.946 1.00 0.00 H new ATOM 0 HG1 THR C 610 1.942 22.290 -10.998 1.00 0.00 H new ATOM 0 HG21 THR C 610 0.704 21.977 -9.115 1.00 0.00 H new ATOM 0 HG22 THR C 610 1.396 20.988 -7.807 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.066 22.600 -8.153 1.00 0.00 H new ATOM 2086 N GLU C 611 3.671 20.913 -6.568 1.00 0.00 N ATOM 2087 CA GLU C 611 3.875 21.528 -5.258 1.00 0.00 C ATOM 2088 C GLU C 611 5.365 21.572 -4.915 1.00 0.00 C ATOM 2089 O GLU C 611 5.816 22.419 -4.145 1.00 0.00 O ATOM 2090 CB GLU C 611 3.109 20.753 -4.184 1.00 0.00 C ATOM 2091 CG GLU C 611 3.002 21.490 -2.859 1.00 0.00 C ATOM 2092 CD GLU C 611 2.054 22.673 -2.922 1.00 0.00 C ATOM 2093 OE1 GLU C 611 0.829 22.457 -2.814 1.00 0.00 O ATOM 2094 OE2 GLU C 611 2.538 23.814 -3.079 1.00 0.00 O ATOM 0 H GLU C 611 3.075 20.085 -6.559 1.00 0.00 H new ATOM 0 HA GLU C 611 3.496 22.549 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU C 611 2.106 20.536 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU C 611 3.602 19.795 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU C 611 2.662 20.797 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU C 611 3.991 21.838 -2.560 1.00 0.00 H new ATOM 2101 N LEU C 612 6.118 20.641 -5.500 1.00 0.00 N ATOM 2102 CA LEU C 612 7.561 20.552 -5.271 1.00 0.00 C ATOM 2103 C LEU C 612 8.338 21.398 -6.277 1.00 0.00 C ATOM 2104 O LEU C 612 9.307 22.068 -5.919 1.00 0.00 O ATOM 2105 CB LEU C 612 8.032 19.086 -5.304 1.00 0.00 C ATOM 2106 CG LEU C 612 8.741 18.607 -4.022 1.00 0.00 C ATOM 2107 CD1 LEU C 612 8.463 17.136 -3.762 1.00 0.00 C ATOM 2108 CD2 LEU C 612 10.241 18.866 -4.102 1.00 0.00 C ATOM 0 H LEU C 612 5.751 19.935 -6.138 1.00 0.00 H new ATOM 0 HA LEU C 612 7.764 20.952 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU C 612 7.169 18.446 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.710 18.955 -6.148 1.00 0.00 H new ATOM 0 HG LEU C 612 8.341 19.179 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU C 612 8.975 16.824 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU C 612 7.390 16.984 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU C 612 8.824 16.543 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU C 612 10.719 18.520 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU C 612 10.658 18.330 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU C 612 10.420 19.934 -4.223 1.00 0.00 H new ATOM 2120 N GLN C 613 7.906 21.369 -7.533 1.00 0.00 N ATOM 2121 CA GLN C 613 8.564 22.141 -8.583 1.00 0.00 C ATOM 2122 C GLN C 613 8.416 23.642 -8.332 1.00 0.00 C ATOM 2123 O GLN C 613 9.099 24.451 -8.960 1.00 0.00 O ATOM 2124 CB GLN C 613 7.985 21.773 -9.955 1.00 0.00 C ATOM 2125 CG GLN C 613 8.581 20.506 -10.549 1.00 0.00 C ATOM 2126 CD GLN C 613 9.987 20.717 -11.081 1.00 0.00 C ATOM 2127 OE1 GLN C 613 10.946 20.799 -10.315 1.00 0.00 O ATOM 2128 NE2 GLN C 613 10.116 20.809 -12.401 1.00 0.00 N ATOM 0 H GLN C 613 7.106 20.821 -7.849 1.00 0.00 H new ATOM 0 HA GLN C 613 9.626 21.896 -8.570 1.00 0.00 H new ATOM 0 HB2 GLN C 613 6.906 21.648 -9.863 1.00 0.00 H new ATOM 0 HB3 GLN C 613 8.152 22.601 -10.644 1.00 0.00 H new ATOM 0 HG2 GLN C 613 8.597 19.725 -9.789 1.00 0.00 H new ATOM 0 HG3 GLN C 613 7.940 20.151 -11.356 1.00 0.00 H new ATOM 0 HE21 GLN C 613 9.294 20.735 -13.000 1.00 0.00 H new ATOM 0 HE22 GLN C 613 11.037 20.953 -12.815 1.00 0.00 H new