USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=16 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 Set 1.1: A 14 GLN : amide:sc= -0.518! C(o=-1.2!,f=-4.9!) USER MOD Set 1.2: C 607 GLN :FLIP amide:sc= -0.686 F(o=-3.2,f=-1.2) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0834 USER MOD Single : A 16 TYR OH : rot 21:sc= 0.914 USER MOD Single : A 17 THR OG1 : rot 97:sc= 0.948 USER MOD Single : A 23 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.039) USER MOD Single : A 24 GLN : amide:sc= 0.0496 X(o=0.05,f=-0.16) USER MOD Single : A 35 TYR OH : rot 30:sc= -1.68 USER MOD Single : A 37 THR OG1 : rot -83:sc= 0.811 USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.419 USER MOD Single : B 14 GLN :FLIP amide:sc= -8.35! C(o=-9.6!,f=-8.4!) USER MOD Single : B 16 TYR OH : rot 123:sc= 0.0715 USER MOD Single : B 17 THR OG1 : rot 30:sc= -0.364 USER MOD Single : B 23 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.38) USER MOD Single : B 24 GLN : amide:sc= -0.719 K(o=-0.72,f=-5.4!) USER MOD Single : B 35 TYR OH : rot 28:sc= -1.39 USER MOD Single : B 37 THR OG1 : rot -66:sc= 0.375 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= 0.794 F(o=-0.99,f=0.79) USER MOD Single : C 605 LYS NZ :NH3+ -175:sc= -0.85 (180deg=-1.08) USER MOD Single : C 609 MET CE :methyl 176:sc= 0 (180deg=-0.0203) USER MOD Single : C 610 THR OG1 : rot 41:sc= -0.0775 USER MOD Single : C 613 GLN : amide:sc= -0.0452 X(o=-0.045,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -17.986 7.302 -9.156 1.00 0.00 N ATOM 121 CA GLN A 4 -17.822 8.729 -8.898 1.00 0.00 C ATOM 122 C GLN A 4 -16.631 8.999 -7.984 1.00 0.00 C ATOM 123 O GLN A 4 -16.737 8.857 -6.767 1.00 0.00 O ATOM 124 CB GLN A 4 -19.100 9.313 -8.287 1.00 0.00 C ATOM 125 CG GLN A 4 -19.469 8.709 -6.936 1.00 0.00 C ATOM 126 CD GLN A 4 -20.960 8.753 -6.656 1.00 0.00 C ATOM 127 OE1 GLN A 4 -21.499 9.785 -6.256 1.00 0.00 O ATOM 128 NE2 GLN A 4 -21.637 7.628 -6.866 1.00 0.00 N ATOM 0 HA GLN A 4 -17.629 9.217 -9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.977 10.390 -8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.926 9.159 -8.981 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.128 7.674 -6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.941 9.245 -6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -21.151 6.795 -7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.642 7.598 -6.695 1.00 0.00 H new ATOM 137 N ILE A 5 -15.504 9.394 -8.576 1.00 0.00 N ATOM 138 CA ILE A 5 -14.289 9.691 -7.808 1.00 0.00 C ATOM 139 C ILE A 5 -14.624 10.395 -6.486 1.00 0.00 C ATOM 140 O ILE A 5 -14.843 11.607 -6.465 1.00 0.00 O ATOM 141 CB ILE A 5 -13.312 10.580 -8.617 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.901 9.889 -9.925 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.079 10.915 -7.785 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.397 8.475 -9.736 1.00 0.00 C ATOM 0 H ILE A 5 -15.404 9.516 -9.584 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.811 8.735 -7.596 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.826 11.508 -8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.756 9.873 -10.601 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.124 10.480 -10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.404 11.540 -8.370 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.382 11.451 -6.885 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.568 9.994 -7.504 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.126 8.053 -10.704 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.522 8.484 -9.086 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.180 7.868 -9.281 1.00 0.00 H new ATOM 156 N PRO A 6 -14.675 9.647 -5.364 1.00 0.00 N ATOM 157 CA PRO A 6 -14.994 10.221 -4.050 1.00 0.00 C ATOM 158 C PRO A 6 -14.156 11.465 -3.734 1.00 0.00 C ATOM 159 O PRO A 6 -12.952 11.361 -3.497 1.00 0.00 O ATOM 160 CB PRO A 6 -14.656 9.083 -3.079 1.00 0.00 C ATOM 161 CG PRO A 6 -14.853 7.844 -3.879 1.00 0.00 C ATOM 162 CD PRO A 6 -14.433 8.189 -5.281 1.00 0.00 C ATOM 0 HA PRO A 6 -16.029 10.559 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.632 9.162 -2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.307 9.100 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.255 7.024 -3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.894 7.522 -3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.385 7.945 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.017 7.642 -6.021 1.00 0.00 H new ATOM 170 N PRO A 7 -14.774 12.665 -3.724 1.00 0.00 N ATOM 171 CA PRO A 7 -14.060 13.914 -3.433 1.00 0.00 C ATOM 172 C PRO A 7 -13.159 13.803 -2.205 1.00 0.00 C ATOM 173 O PRO A 7 -13.410 12.996 -1.311 1.00 0.00 O ATOM 174 CB PRO A 7 -15.194 14.913 -3.185 1.00 0.00 C ATOM 175 CG PRO A 7 -16.315 14.410 -4.025 1.00 0.00 C ATOM 176 CD PRO A 7 -16.209 12.906 -3.996 1.00 0.00 C ATOM 0 HA PRO A 7 -13.388 14.200 -4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.471 14.948 -2.131 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.904 15.924 -3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.276 14.742 -3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.239 14.788 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.842 12.474 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.518 12.464 -4.943 1.00 0.00 H new ATOM 184 N GLY A 8 -12.113 14.624 -2.166 1.00 0.00 N ATOM 185 CA GLY A 8 -11.192 14.609 -1.039 1.00 0.00 C ATOM 186 C GLY A 8 -10.084 13.579 -1.187 1.00 0.00 C ATOM 187 O GLY A 8 -9.029 13.708 -0.567 1.00 0.00 O ATOM 0 H GLY A 8 -11.885 15.300 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.748 15.598 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.749 14.405 -0.125 1.00 0.00 H new ATOM 191 N LEU A 9 -10.317 12.557 -2.006 1.00 0.00 N ATOM 192 CA LEU A 9 -9.319 11.514 -2.221 1.00 0.00 C ATOM 193 C LEU A 9 -8.029 12.110 -2.774 1.00 0.00 C ATOM 194 O LEU A 9 -6.933 11.649 -2.457 1.00 0.00 O ATOM 195 CB LEU A 9 -9.857 10.438 -3.177 1.00 0.00 C ATOM 196 CG LEU A 9 -10.523 9.230 -2.506 1.00 0.00 C ATOM 197 CD1 LEU A 9 -11.233 8.370 -3.543 1.00 0.00 C ATOM 198 CD2 LEU A 9 -9.495 8.400 -1.739 1.00 0.00 C ATOM 0 H LEU A 9 -11.183 12.429 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.103 11.049 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.579 10.902 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.033 10.080 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.262 9.600 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.700 7.517 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.998 8.963 -4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.510 8.014 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.990 7.549 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.730 8.041 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.030 9.017 -0.970 1.00 0.00 H new ATOM 210 N THR A 10 -8.168 13.137 -3.604 1.00 0.00 N ATOM 211 CA THR A 10 -7.012 13.790 -4.204 1.00 0.00 C ATOM 212 C THR A 10 -6.168 14.483 -3.140 1.00 0.00 C ATOM 213 O THR A 10 -4.956 14.300 -3.083 1.00 0.00 O ATOM 214 CB THR A 10 -7.464 14.804 -5.267 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.775 15.269 -4.995 1.00 0.00 O ATOM 216 CG2 THR A 10 -7.456 14.245 -6.677 1.00 0.00 C ATOM 0 H THR A 10 -9.067 13.534 -3.876 1.00 0.00 H new ATOM 0 HA THR A 10 -6.400 13.026 -4.683 1.00 0.00 H new ATOM 0 HB THR A 10 -6.739 15.616 -5.214 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.042 15.914 -5.682 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.786 15.014 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.446 13.928 -6.937 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.130 13.391 -6.733 1.00 0.00 H new ATOM 224 N GLU A 11 -6.822 15.281 -2.303 1.00 0.00 N ATOM 225 CA GLU A 11 -6.136 16.011 -1.244 1.00 0.00 C ATOM 226 C GLU A 11 -5.545 15.066 -0.200 1.00 0.00 C ATOM 227 O GLU A 11 -4.499 15.354 0.381 1.00 0.00 O ATOM 228 CB GLU A 11 -7.100 16.993 -0.572 1.00 0.00 C ATOM 229 CG GLU A 11 -7.528 18.139 -1.474 1.00 0.00 C ATOM 230 CD GLU A 11 -6.418 19.144 -1.707 1.00 0.00 C ATOM 231 OE1 GLU A 11 -5.557 18.887 -2.576 1.00 0.00 O ATOM 232 OE2 GLU A 11 -6.407 20.188 -1.022 1.00 0.00 O ATOM 0 H GLU A 11 -7.829 15.439 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.314 16.562 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.986 16.451 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.626 17.402 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.857 17.738 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.384 18.646 -1.029 1.00 0.00 H new ATOM 239 N LEU A 12 -6.222 13.948 0.052 1.00 0.00 N ATOM 240 CA LEU A 12 -5.754 12.983 1.046 1.00 0.00 C ATOM 241 C LEU A 12 -4.488 12.266 0.583 1.00 0.00 C ATOM 242 O LEU A 12 -3.519 12.154 1.333 1.00 0.00 O ATOM 243 CB LEU A 12 -6.846 11.949 1.367 1.00 0.00 C ATOM 244 CG LEU A 12 -7.279 11.883 2.837 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.073 11.693 3.755 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.060 13.135 3.220 1.00 0.00 C ATOM 0 H LEU A 12 -7.091 13.688 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.519 13.546 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.722 12.170 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.489 10.964 1.067 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.932 11.019 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.408 11.649 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.564 10.764 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.386 12.530 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.359 13.071 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.432 14.014 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.948 13.216 2.593 1.00 0.00 H new ATOM 258 N LEU A 13 -4.504 11.779 -0.655 1.00 0.00 N ATOM 259 CA LEU A 13 -3.358 11.073 -1.206 1.00 0.00 C ATOM 260 C LEU A 13 -2.202 12.044 -1.436 1.00 0.00 C ATOM 261 O LEU A 13 -1.035 11.654 -1.403 1.00 0.00 O ATOM 262 CB LEU A 13 -3.746 10.363 -2.513 1.00 0.00 C ATOM 263 CG LEU A 13 -4.265 8.930 -2.358 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.411 8.875 -1.359 1.00 0.00 C ATOM 265 CD2 LEU A 13 -4.707 8.380 -3.709 1.00 0.00 C ATOM 0 H LEU A 13 -5.297 11.861 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.033 10.316 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.511 10.956 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.876 10.346 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.454 8.310 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.763 7.848 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.065 9.230 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.227 9.508 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.074 7.361 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.503 9.005 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.861 8.380 -4.396 1.00 0.00 H new ATOM 277 N GLN A 14 -2.539 13.314 -1.660 1.00 0.00 N ATOM 278 CA GLN A 14 -1.529 14.342 -1.887 1.00 0.00 C ATOM 279 C GLN A 14 -0.609 14.451 -0.682 1.00 0.00 C ATOM 280 O GLN A 14 0.609 14.518 -0.828 1.00 0.00 O ATOM 281 CB GLN A 14 -2.185 15.704 -2.174 1.00 0.00 C ATOM 282 CG GLN A 14 -1.586 16.429 -3.369 1.00 0.00 C ATOM 283 CD GLN A 14 -1.943 17.902 -3.402 1.00 0.00 C ATOM 284 OE1 GLN A 14 -2.590 18.376 -4.335 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.520 18.637 -2.379 1.00 0.00 N ATOM 0 H GLN A 14 -3.501 13.653 -1.689 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.942 14.053 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.251 15.555 -2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.091 16.336 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.501 16.323 -3.346 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.933 15.955 -4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.986 18.203 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.729 19.635 -2.347 1.00 0.00 H new ATOM 294 N GLY A 15 -1.197 14.450 0.509 1.00 0.00 N ATOM 295 CA GLY A 15 -0.408 14.531 1.722 1.00 0.00 C ATOM 296 C GLY A 15 0.653 13.453 1.763 1.00 0.00 C ATOM 297 O GLY A 15 1.810 13.716 2.089 1.00 0.00 O ATOM 0 H GLY A 15 -2.205 14.395 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.064 15.511 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.061 14.435 2.590 1.00 0.00 H new ATOM 301 N TYR A 16 0.252 12.234 1.416 1.00 0.00 N ATOM 302 CA TYR A 16 1.181 11.112 1.396 1.00 0.00 C ATOM 303 C TYR A 16 2.148 11.246 0.220 1.00 0.00 C ATOM 304 O TYR A 16 3.360 11.123 0.379 1.00 0.00 O ATOM 305 CB TYR A 16 0.419 9.787 1.303 1.00 0.00 C ATOM 306 CG TYR A 16 1.320 8.571 1.217 1.00 0.00 C ATOM 307 CD1 TYR A 16 2.050 8.144 2.320 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.441 7.850 0.034 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.874 7.036 2.246 1.00 0.00 C ATOM 310 CE2 TYR A 16 2.262 6.740 -0.046 1.00 0.00 C ATOM 311 CZ TYR A 16 2.975 6.339 1.063 1.00 0.00 C ATOM 312 OH TYR A 16 3.794 5.236 0.988 1.00 0.00 O ATOM 0 H TYR A 16 -0.704 12.000 1.147 1.00 0.00 H new ATOM 0 HA TYR A 16 1.752 11.120 2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.228 9.688 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.229 9.811 0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.972 8.687 3.251 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.884 8.162 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.436 6.719 3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.344 6.191 -0.972 1.00 0.00 H new ATOM 0 HH TYR A 16 3.957 4.888 1.889 1.00 0.00 H new ATOM 322 N THR A 17 1.590 11.487 -0.963 1.00 0.00 N ATOM 323 CA THR A 17 2.380 11.626 -2.183 1.00 0.00 C ATOM 324 C THR A 17 3.459 12.702 -2.057 1.00 0.00 C ATOM 325 O THR A 17 4.649 12.424 -2.212 1.00 0.00 O ATOM 326 CB THR A 17 1.465 11.948 -3.368 1.00 0.00 C ATOM 327 OG1 THR A 17 0.335 11.094 -3.373 1.00 0.00 O ATOM 328 CG2 THR A 17 2.147 11.807 -4.715 1.00 0.00 C ATOM 0 H THR A 17 0.585 11.591 -1.103 1.00 0.00 H new ATOM 0 HA THR A 17 2.883 10.674 -2.351 1.00 0.00 H new ATOM 0 HB THR A 17 1.178 12.991 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.422 11.551 -2.951 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.440 12.050 -5.508 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.997 12.487 -4.765 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.495 10.782 -4.841 1.00 0.00 H new ATOM 336 N VAL A 18 3.032 13.935 -1.789 1.00 0.00 N ATOM 337 CA VAL A 18 3.956 15.061 -1.659 1.00 0.00 C ATOM 338 C VAL A 18 5.029 14.788 -0.609 1.00 0.00 C ATOM 339 O VAL A 18 6.145 15.300 -0.706 1.00 0.00 O ATOM 340 CB VAL A 18 3.214 16.359 -1.276 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.214 16.734 -2.363 1.00 0.00 C ATOM 342 CG2 VAL A 18 2.534 16.224 0.094 1.00 0.00 C ATOM 0 H VAL A 18 2.051 14.180 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 18 4.427 15.185 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 18 3.944 17.165 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.697 17.651 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.741 16.889 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.488 15.930 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.019 17.153 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.813 15.407 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.286 16.016 0.855 1.00 0.00 H new ATOM 352 N GLU A 19 4.688 13.992 0.398 1.00 0.00 N ATOM 353 CA GLU A 19 5.626 13.669 1.468 1.00 0.00 C ATOM 354 C GLU A 19 6.616 12.593 1.035 1.00 0.00 C ATOM 355 O GLU A 19 7.825 12.742 1.213 1.00 0.00 O ATOM 356 CB GLU A 19 4.861 13.222 2.714 1.00 0.00 C ATOM 357 CG GLU A 19 4.196 14.372 3.455 1.00 0.00 C ATOM 358 CD GLU A 19 5.179 15.195 4.266 1.00 0.00 C ATOM 359 OE1 GLU A 19 6.401 15.022 4.072 1.00 0.00 O ATOM 360 OE2 GLU A 19 4.726 16.011 5.096 1.00 0.00 O ATOM 0 H GLU A 19 3.770 13.559 0.496 1.00 0.00 H new ATOM 0 HA GLU A 19 6.197 14.567 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.100 12.497 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.547 12.712 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.693 15.019 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.427 13.975 4.118 1.00 0.00 H new ATOM 367 N VAL A 20 6.100 11.507 0.468 1.00 0.00 N ATOM 368 CA VAL A 20 6.943 10.406 0.013 1.00 0.00 C ATOM 369 C VAL A 20 8.103 10.914 -0.841 1.00 0.00 C ATOM 370 O VAL A 20 9.232 10.443 -0.715 1.00 0.00 O ATOM 371 CB VAL A 20 6.125 9.369 -0.789 1.00 0.00 C ATOM 372 CG1 VAL A 20 7.040 8.323 -1.421 1.00 0.00 C ATOM 373 CG2 VAL A 20 5.074 8.706 0.102 1.00 0.00 C ATOM 0 H VAL A 20 5.102 11.365 0.312 1.00 0.00 H new ATOM 0 HA VAL A 20 7.347 9.923 0.903 1.00 0.00 H new ATOM 0 HB VAL A 20 5.609 9.893 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.440 7.605 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.741 8.813 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.593 7.803 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.509 7.979 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.567 8.200 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.396 9.465 0.491 1.00 0.00 H new ATOM 383 N LEU A 21 7.817 11.874 -1.712 1.00 0.00 N ATOM 384 CA LEU A 21 8.838 12.443 -2.588 1.00 0.00 C ATOM 385 C LEU A 21 9.778 13.359 -1.807 1.00 0.00 C ATOM 386 O LEU A 21 10.991 13.340 -2.012 1.00 0.00 O ATOM 387 CB LEU A 21 8.177 13.220 -3.736 1.00 0.00 C ATOM 388 CG LEU A 21 7.844 12.388 -4.977 1.00 0.00 C ATOM 389 CD1 LEU A 21 6.856 11.286 -4.626 1.00 0.00 C ATOM 390 CD2 LEU A 21 7.295 13.274 -6.094 1.00 0.00 C ATOM 0 H LEU A 21 6.887 12.276 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 21 9.425 11.624 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.258 13.674 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.839 14.035 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 21 8.763 11.925 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.629 10.703 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.292 10.635 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.938 11.730 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.066 12.661 -6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.388 13.771 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.040 14.023 -6.363 1.00 0.00 H new ATOM 402 N ARG A 22 9.208 14.174 -0.928 1.00 0.00 N ATOM 403 CA ARG A 22 9.992 15.113 -0.132 1.00 0.00 C ATOM 404 C ARG A 22 10.877 14.405 0.898 1.00 0.00 C ATOM 405 O ARG A 22 11.873 14.968 1.353 1.00 0.00 O ATOM 406 CB ARG A 22 9.061 16.104 0.578 1.00 0.00 C ATOM 407 CG ARG A 22 9.727 17.431 0.944 1.00 0.00 C ATOM 408 CD ARG A 22 9.638 18.447 -0.190 1.00 0.00 C ATOM 409 NE ARG A 22 10.530 18.116 -1.300 1.00 0.00 N ATOM 410 CZ ARG A 22 11.813 18.475 -1.365 1.00 0.00 C ATOM 411 NH1 ARG A 22 12.381 19.145 -0.370 1.00 0.00 N ATOM 412 NH2 ARG A 22 12.534 18.151 -2.430 1.00 0.00 N ATOM 0 H ARG A 22 8.205 14.204 -0.747 1.00 0.00 H new ATOM 0 HA ARG A 22 10.650 15.647 -0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.203 16.305 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.677 15.639 1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.253 17.841 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.774 17.255 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.611 18.495 -0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.887 19.437 0.191 1.00 0.00 H new ATOM 0 HE ARG A 22 10.146 17.575 -2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.836 19.391 0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.363 19.414 -0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.107 17.629 -3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.515 18.424 -2.484 1.00 0.00 H new ATOM 426 N GLN A 23 10.504 13.181 1.279 1.00 0.00 N ATOM 427 CA GLN A 23 11.264 12.419 2.276 1.00 0.00 C ATOM 428 C GLN A 23 11.961 11.207 1.659 1.00 0.00 C ATOM 429 O GLN A 23 13.081 10.869 2.043 1.00 0.00 O ATOM 430 CB GLN A 23 10.336 11.964 3.406 1.00 0.00 C ATOM 431 CG GLN A 23 9.884 13.097 4.313 1.00 0.00 C ATOM 432 CD GLN A 23 10.993 13.604 5.213 1.00 0.00 C ATOM 433 OE1 GLN A 23 11.152 13.142 6.344 1.00 0.00 O ATOM 434 NE2 GLN A 23 11.771 14.560 4.716 1.00 0.00 N ATOM 0 H GLN A 23 9.684 12.697 0.915 1.00 0.00 H new ATOM 0 HA GLN A 23 12.035 13.078 2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.458 11.483 2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.848 11.212 4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.513 13.920 3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.051 12.755 4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.605 14.915 3.774 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.534 14.939 5.276 1.00 0.00 H new ATOM 443 N GLN A 24 11.293 10.548 0.719 1.00 0.00 N ATOM 444 CA GLN A 24 11.854 9.367 0.069 1.00 0.00 C ATOM 445 C GLN A 24 12.233 8.313 1.114 1.00 0.00 C ATOM 446 O GLN A 24 13.389 8.230 1.531 1.00 0.00 O ATOM 447 CB GLN A 24 13.079 9.751 -0.770 1.00 0.00 C ATOM 448 CG GLN A 24 12.721 10.450 -2.074 1.00 0.00 C ATOM 449 CD GLN A 24 13.899 11.176 -2.695 1.00 0.00 C ATOM 450 OE1 GLN A 24 15.041 10.727 -2.599 1.00 0.00 O ATOM 451 NE2 GLN A 24 13.624 12.307 -3.338 1.00 0.00 N ATOM 0 H GLN A 24 10.364 10.810 0.390 1.00 0.00 H new ATOM 0 HA GLN A 24 11.099 8.944 -0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.724 10.403 -0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.654 8.852 -0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.339 9.715 -2.782 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.917 11.163 -1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.662 12.642 -3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.375 12.840 -3.777 1.00 0.00 H new ATOM 460 N PRO A 25 11.255 7.503 1.565 1.00 0.00 N ATOM 461 CA PRO A 25 11.476 6.470 2.574 1.00 0.00 C ATOM 462 C PRO A 25 11.867 5.124 1.967 1.00 0.00 C ATOM 463 O PRO A 25 11.794 4.940 0.752 1.00 0.00 O ATOM 464 CB PRO A 25 10.102 6.382 3.228 1.00 0.00 C ATOM 465 CG PRO A 25 9.159 6.581 2.089 1.00 0.00 C ATOM 466 CD PRO A 25 9.841 7.539 1.139 1.00 0.00 C ATOM 0 HA PRO A 25 12.296 6.708 3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.949 5.417 3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.973 7.147 3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.939 5.634 1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.209 6.987 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.727 7.224 0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.425 8.544 1.215 1.00 0.00 H new ATOM 474 N PRO A 26 12.283 4.152 2.806 1.00 0.00 N ATOM 475 CA PRO A 26 12.671 2.823 2.335 1.00 0.00 C ATOM 476 C PRO A 26 11.461 1.986 1.927 1.00 0.00 C ATOM 477 O PRO A 26 11.539 1.173 1.006 1.00 0.00 O ATOM 478 CB PRO A 26 13.385 2.189 3.551 1.00 0.00 C ATOM 479 CG PRO A 26 13.501 3.278 4.570 1.00 0.00 C ATOM 480 CD PRO A 26 12.404 4.256 4.268 1.00 0.00 C ATOM 0 HA PRO A 26 13.300 2.875 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.816 1.346 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.368 1.808 3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.399 2.879 5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.477 3.760 4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.474 3.992 4.772 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.662 5.267 4.584 1.00 0.00 H new ATOM 488 N ASP A 27 10.341 2.188 2.626 1.00 0.00 N ATOM 489 CA ASP A 27 9.110 1.454 2.347 1.00 0.00 C ATOM 490 C ASP A 27 7.915 2.395 2.279 1.00 0.00 C ATOM 491 O ASP A 27 7.796 3.326 3.075 1.00 0.00 O ATOM 492 CB ASP A 27 8.873 0.391 3.422 1.00 0.00 C ATOM 493 CG ASP A 27 9.970 -0.654 3.453 1.00 0.00 C ATOM 494 OD1 ASP A 27 9.950 -1.564 2.598 1.00 0.00 O ATOM 495 OD2 ASP A 27 10.851 -0.564 4.334 1.00 0.00 O ATOM 0 H ASP A 27 10.264 2.857 3.392 1.00 0.00 H new ATOM 0 HA ASP A 27 9.220 0.968 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.807 0.873 4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.915 -0.097 3.242 1.00 0.00 H new ATOM 500 N LEU A 28 7.032 2.141 1.323 1.00 0.00 N ATOM 501 CA LEU A 28 5.838 2.955 1.143 1.00 0.00 C ATOM 502 C LEU A 28 4.822 2.675 2.247 1.00 0.00 C ATOM 503 O LEU A 28 4.277 3.598 2.852 1.00 0.00 O ATOM 504 CB LEU A 28 5.211 2.679 -0.225 1.00 0.00 C ATOM 505 CG LEU A 28 6.152 2.866 -1.420 1.00 0.00 C ATOM 506 CD1 LEU A 28 5.549 2.256 -2.678 1.00 0.00 C ATOM 507 CD2 LEU A 28 6.456 4.344 -1.633 1.00 0.00 C ATOM 0 H LEU A 28 7.121 1.374 0.657 1.00 0.00 H new ATOM 0 HA LEU A 28 6.129 4.004 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.834 1.656 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.351 3.337 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 28 7.088 2.350 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.232 2.399 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.384 1.190 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.598 2.742 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.126 4.459 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.528 4.882 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.932 4.750 -0.740 1.00 0.00 H new ATOM 519 N VAL A 29 4.577 1.394 2.507 1.00 0.00 N ATOM 520 CA VAL A 29 3.631 0.989 3.542 1.00 0.00 C ATOM 521 C VAL A 29 4.000 1.608 4.888 1.00 0.00 C ATOM 522 O VAL A 29 3.179 2.268 5.525 1.00 0.00 O ATOM 523 CB VAL A 29 3.570 -0.548 3.696 1.00 0.00 C ATOM 524 CG1 VAL A 29 2.428 -0.955 4.623 1.00 0.00 C ATOM 525 CG2 VAL A 29 3.427 -1.224 2.337 1.00 0.00 C ATOM 0 H VAL A 29 5.021 0.618 2.015 1.00 0.00 H new ATOM 0 HA VAL A 29 2.651 1.348 3.228 1.00 0.00 H new ATOM 0 HB VAL A 29 4.507 -0.880 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.404 -2.041 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.581 -0.509 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.482 -0.606 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.386 -2.305 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.510 -0.883 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.282 -0.968 1.711 1.00 0.00 H new ATOM 535 N GLU A 30 5.241 1.391 5.313 1.00 0.00 N ATOM 536 CA GLU A 30 5.720 1.929 6.582 1.00 0.00 C ATOM 537 C GLU A 30 5.487 3.434 6.653 1.00 0.00 C ATOM 538 O GLU A 30 4.944 3.945 7.632 1.00 0.00 O ATOM 539 CB GLU A 30 7.209 1.620 6.763 1.00 0.00 C ATOM 540 CG GLU A 30 7.679 1.710 8.207 1.00 0.00 C ATOM 541 CD GLU A 30 9.183 1.577 8.341 1.00 0.00 C ATOM 542 OE1 GLU A 30 9.735 0.566 7.855 1.00 0.00 O ATOM 543 OE2 GLU A 30 9.810 2.482 8.930 1.00 0.00 O ATOM 0 H GLU A 30 5.933 0.847 4.798 1.00 0.00 H new ATOM 0 HA GLU A 30 5.159 1.453 7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.412 0.618 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.792 2.313 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.364 2.664 8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.195 0.928 8.792 1.00 0.00 H new ATOM 550 N PHE A 31 5.910 4.136 5.609 1.00 0.00 N ATOM 551 CA PHE A 31 5.756 5.582 5.547 1.00 0.00 C ATOM 552 C PHE A 31 4.286 5.993 5.514 1.00 0.00 C ATOM 553 O PHE A 31 3.937 7.103 5.906 1.00 0.00 O ATOM 554 CB PHE A 31 6.479 6.135 4.321 1.00 0.00 C ATOM 555 CG PHE A 31 6.651 7.626 4.359 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.544 8.207 5.244 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.925 8.446 3.510 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.710 9.576 5.284 1.00 0.00 C ATOM 559 CE2 PHE A 31 6.087 9.818 3.544 1.00 0.00 C ATOM 560 CZ PHE A 31 6.981 10.384 4.433 1.00 0.00 C ATOM 0 H PHE A 31 6.363 3.725 4.793 1.00 0.00 H new ATOM 0 HA PHE A 31 6.199 6.000 6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.459 5.664 4.242 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.922 5.863 3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.118 7.581 5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.225 8.008 2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.409 10.016 5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.516 10.447 2.877 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.109 11.456 4.462 1.00 0.00 H new ATOM 570 N ALA A 32 3.428 5.100 5.032 1.00 0.00 N ATOM 571 CA ALA A 32 1.998 5.385 4.936 1.00 0.00 C ATOM 572 C ALA A 32 1.307 5.294 6.291 1.00 0.00 C ATOM 573 O ALA A 32 0.510 6.162 6.643 1.00 0.00 O ATOM 574 CB ALA A 32 1.352 4.452 3.928 1.00 0.00 C ATOM 0 H ALA A 32 3.696 4.173 4.702 1.00 0.00 H new ATOM 0 HA ALA A 32 1.880 6.413 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.286 4.670 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.813 4.596 2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.492 3.419 4.247 1.00 0.00 H new ATOM 580 N VAL A 33 1.630 4.267 7.066 1.00 0.00 N ATOM 581 CA VAL A 33 1.040 4.119 8.392 1.00 0.00 C ATOM 582 C VAL A 33 1.510 5.265 9.276 1.00 0.00 C ATOM 583 O VAL A 33 0.693 6.033 9.781 1.00 0.00 O ATOM 584 CB VAL A 33 1.442 2.778 9.039 1.00 0.00 C ATOM 585 CG1 VAL A 33 0.846 2.653 10.434 1.00 0.00 C ATOM 586 CG2 VAL A 33 1.016 1.614 8.157 1.00 0.00 C ATOM 0 H VAL A 33 2.288 3.533 6.805 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.045 4.136 8.290 1.00 0.00 H new ATOM 0 HB VAL A 33 2.527 2.752 9.135 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.142 1.700 10.872 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.210 3.468 11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.241 2.701 10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.307 0.675 8.628 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.066 1.634 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.501 1.698 7.185 1.00 0.00 H new ATOM 596 N GLU A 34 2.814 5.386 9.469 1.00 0.00 N ATOM 597 CA GLU A 34 3.352 6.455 10.304 1.00 0.00 C ATOM 598 C GLU A 34 2.782 7.814 9.893 1.00 0.00 C ATOM 599 O GLU A 34 2.608 8.699 10.729 1.00 0.00 O ATOM 600 CB GLU A 34 4.880 6.474 10.233 1.00 0.00 C ATOM 601 CG GLU A 34 5.431 6.789 8.846 1.00 0.00 C ATOM 602 CD GLU A 34 5.751 8.260 8.654 1.00 0.00 C ATOM 603 OE1 GLU A 34 4.806 9.056 8.471 1.00 0.00 O ATOM 604 OE2 GLU A 34 6.947 8.617 8.686 1.00 0.00 O ATOM 0 H GLU A 34 3.515 4.766 9.065 1.00 0.00 H new ATOM 0 HA GLU A 34 3.053 6.260 11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.257 7.213 10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.261 5.504 10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.334 6.202 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.705 6.480 8.094 1.00 0.00 H new ATOM 611 N TYR A 35 2.492 7.971 8.600 1.00 0.00 N ATOM 612 CA TYR A 35 1.940 9.224 8.082 1.00 0.00 C ATOM 613 C TYR A 35 0.445 9.348 8.372 1.00 0.00 C ATOM 614 O TYR A 35 0.000 10.339 8.949 1.00 0.00 O ATOM 615 CB TYR A 35 2.183 9.345 6.578 1.00 0.00 C ATOM 616 CG TYR A 35 1.718 10.665 5.998 1.00 0.00 C ATOM 617 CD1 TYR A 35 2.268 11.865 6.434 1.00 0.00 C ATOM 618 CD2 TYR A 35 0.732 10.716 5.017 1.00 0.00 C ATOM 619 CE1 TYR A 35 1.851 13.074 5.912 1.00 0.00 C ATOM 620 CE2 TYR A 35 0.310 11.924 4.491 1.00 0.00 C ATOM 621 CZ TYR A 35 0.872 13.098 4.942 1.00 0.00 C ATOM 622 OH TYR A 35 0.456 14.302 4.422 1.00 0.00 O ATOM 0 H TYR A 35 2.630 7.248 7.894 1.00 0.00 H new ATOM 0 HA TYR A 35 2.456 10.035 8.596 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.248 9.224 6.379 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.668 8.531 6.068 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.035 11.852 7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.289 9.798 4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.290 13.996 6.262 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.456 11.946 3.730 1.00 0.00 H new ATOM 0 HH TYR A 35 1.197 14.943 4.447 1.00 0.00 H new ATOM 632 N PHE A 36 -0.330 8.346 7.962 1.00 0.00 N ATOM 633 CA PHE A 36 -1.775 8.364 8.177 1.00 0.00 C ATOM 634 C PHE A 36 -2.118 8.338 9.665 1.00 0.00 C ATOM 635 O PHE A 36 -3.157 8.853 10.077 1.00 0.00 O ATOM 636 CB PHE A 36 -2.441 7.181 7.455 1.00 0.00 C ATOM 637 CG PHE A 36 -2.874 7.496 6.046 1.00 0.00 C ATOM 638 CD1 PHE A 36 -4.025 8.232 5.815 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.137 7.056 4.956 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.431 8.524 4.526 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.537 7.345 3.666 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.686 8.081 3.452 1.00 0.00 C ATOM 0 H PHE A 36 0.016 7.516 7.482 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.161 9.294 7.760 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.745 6.342 7.433 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.310 6.859 8.029 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.612 8.582 6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.238 6.480 5.118 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.330 9.098 4.360 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.953 6.996 2.827 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.001 8.310 2.445 1.00 0.00 H new ATOM 652 N THR A 37 -1.247 7.737 10.469 1.00 0.00 N ATOM 653 CA THR A 37 -1.480 7.655 11.909 1.00 0.00 C ATOM 654 C THR A 37 -1.327 9.023 12.568 1.00 0.00 C ATOM 655 O THR A 37 -2.209 9.463 13.305 1.00 0.00 O ATOM 656 CB THR A 37 -0.528 6.648 12.560 1.00 0.00 C ATOM 657 OG1 THR A 37 0.811 6.885 12.165 1.00 0.00 O ATOM 658 CG2 THR A 37 -0.865 5.210 12.228 1.00 0.00 C ATOM 0 H THR A 37 -0.380 7.303 10.153 1.00 0.00 H new ATOM 0 HA THR A 37 -2.504 7.313 12.058 1.00 0.00 H new ATOM 0 HB THR A 37 -0.646 6.793 13.634 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.977 6.457 11.299 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.153 4.547 12.720 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.873 4.983 12.576 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.812 5.064 11.149 1.00 0.00 H new ATOM 666 N ARG A 38 -0.208 9.693 12.304 1.00 0.00 N ATOM 667 CA ARG A 38 0.036 11.008 12.886 1.00 0.00 C ATOM 668 C ARG A 38 -0.951 12.037 12.341 1.00 0.00 C ATOM 669 O ARG A 38 -1.298 12.998 13.025 1.00 0.00 O ATOM 670 CB ARG A 38 1.483 11.462 12.642 1.00 0.00 C ATOM 671 CG ARG A 38 1.797 11.861 11.202 1.00 0.00 C ATOM 672 CD ARG A 38 3.108 12.646 11.104 1.00 0.00 C ATOM 673 NE ARG A 38 3.944 12.194 9.993 1.00 0.00 N ATOM 674 CZ ARG A 38 5.012 12.853 9.548 1.00 0.00 C ATOM 675 NH1 ARG A 38 5.388 13.992 10.120 1.00 0.00 N ATOM 676 NH2 ARG A 38 5.713 12.371 8.531 1.00 0.00 N ATOM 0 H ARG A 38 0.537 9.351 11.697 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.115 10.928 13.963 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.697 12.309 13.293 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.156 10.656 12.935 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.861 10.966 10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.981 12.465 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.886 13.706 10.981 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.661 12.543 12.037 1.00 0.00 H new ATOM 0 HE ARG A 38 3.694 11.320 9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.857 14.368 10.906 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.207 14.491 9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.434 11.495 8.089 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.531 12.876 8.191 1.00 0.00 H new ATOM 690 N LEU A 39 -1.406 11.827 11.108 1.00 0.00 N ATOM 691 CA LEU A 39 -2.360 12.740 10.485 1.00 0.00 C ATOM 692 C LEU A 39 -3.597 12.907 11.368 1.00 0.00 C ATOM 693 O LEU A 39 -3.955 14.021 11.748 1.00 0.00 O ATOM 694 CB LEU A 39 -2.761 12.235 9.092 1.00 0.00 C ATOM 695 CG LEU A 39 -3.175 13.327 8.101 1.00 0.00 C ATOM 696 CD1 LEU A 39 -3.304 12.754 6.696 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.479 13.979 8.540 1.00 0.00 C ATOM 0 H LEU A 39 -1.131 11.037 10.524 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.880 13.712 10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.924 11.680 8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.587 11.532 9.201 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.399 14.092 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.599 13.545 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.346 12.338 6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.059 11.968 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.758 14.752 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.265 13.226 8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.348 14.426 9.525 1.00 0.00 H new ATOM 709 N ARG A 40 -4.240 11.790 11.696 1.00 0.00 N ATOM 710 CA ARG A 40 -5.431 11.823 12.548 1.00 0.00 C ATOM 711 C ARG A 40 -5.067 12.281 13.960 1.00 0.00 C ATOM 712 O ARG A 40 -5.693 13.183 14.517 1.00 0.00 O ATOM 713 CB ARG A 40 -6.129 10.448 12.632 1.00 0.00 C ATOM 714 CG ARG A 40 -5.558 9.377 11.717 1.00 0.00 C ATOM 715 CD ARG A 40 -6.480 8.160 11.602 1.00 0.00 C ATOM 716 NE ARG A 40 -7.235 7.899 12.832 1.00 0.00 N ATOM 717 CZ ARG A 40 -7.871 6.758 13.091 1.00 0.00 C ATOM 718 NH1 ARG A 40 -7.848 5.761 12.218 1.00 0.00 N ATOM 719 NH2 ARG A 40 -8.535 6.616 14.230 1.00 0.00 N ATOM 0 H ARG A 40 -3.962 10.858 11.390 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.122 12.531 12.090 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.073 10.092 13.661 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.185 10.579 12.397 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.392 9.799 10.726 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.586 9.060 12.095 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.178 8.315 10.779 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.885 7.281 11.353 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.276 8.638 13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.340 5.864 11.339 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.338 4.891 12.425 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.558 7.380 14.906 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.023 5.743 14.430 1.00 0.00 H new ATOM 963 N PRO B 7 9.004 4.246 -8.377 1.00 0.00 N ATOM 964 CA PRO B 7 8.264 3.161 -9.025 1.00 0.00 C ATOM 965 C PRO B 7 7.487 2.303 -8.026 1.00 0.00 C ATOM 966 O PRO B 7 7.961 2.033 -6.924 1.00 0.00 O ATOM 967 CB PRO B 7 9.384 2.350 -9.674 1.00 0.00 C ATOM 968 CG PRO B 7 10.522 2.481 -8.720 1.00 0.00 C ATOM 969 CD PRO B 7 10.410 3.865 -8.120 1.00 0.00 C ATOM 0 HA PRO B 7 7.507 3.525 -9.720 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.095 1.308 -9.810 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.641 2.741 -10.658 1.00 0.00 H new ATOM 0 HG2 PRO B 7 10.471 1.715 -7.946 1.00 0.00 H new ATOM 0 HG3 PRO B 7 11.476 2.354 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.634 3.858 -7.053 1.00 0.00 H new ATOM 0 HD3 PRO B 7 11.106 4.562 -8.588 1.00 0.00 H new ATOM 977 N GLY B 8 6.289 1.876 -8.426 1.00 0.00 N ATOM 978 CA GLY B 8 5.460 1.050 -7.560 1.00 0.00 C ATOM 979 C GLY B 8 4.442 1.861 -6.780 1.00 0.00 C ATOM 980 O GLY B 8 3.373 1.360 -6.432 1.00 0.00 O ATOM 0 H GLY B 8 5.878 2.088 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.941 0.305 -8.163 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.098 0.507 -6.863 1.00 0.00 H new ATOM 984 N LEU B 9 4.778 3.116 -6.506 1.00 0.00 N ATOM 985 CA LEU B 9 3.893 4.008 -5.763 1.00 0.00 C ATOM 986 C LEU B 9 2.514 4.082 -6.415 1.00 0.00 C ATOM 987 O LEU B 9 1.494 4.030 -5.728 1.00 0.00 O ATOM 988 CB LEU B 9 4.516 5.407 -5.682 1.00 0.00 C ATOM 989 CG LEU B 9 3.971 6.306 -4.561 1.00 0.00 C ATOM 990 CD1 LEU B 9 5.042 7.275 -4.075 1.00 0.00 C ATOM 991 CD2 LEU B 9 2.743 7.074 -5.031 1.00 0.00 C ATOM 0 H LEU B 9 5.661 3.541 -6.788 1.00 0.00 H new ATOM 0 HA LEU B 9 3.768 3.609 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.592 5.300 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.362 5.911 -6.636 1.00 0.00 H new ATOM 0 HG LEU B 9 3.681 5.664 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.633 7.901 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU B 9 5.894 6.713 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU B 9 5.366 7.905 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.375 7.703 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU B 9 3.009 7.699 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU B 9 1.965 6.370 -5.326 1.00 0.00 H new ATOM 1003 N THR B 10 2.484 4.206 -7.735 1.00 0.00 N ATOM 1004 CA THR B 10 1.218 4.290 -8.458 1.00 0.00 C ATOM 1005 C THR B 10 0.279 3.149 -8.064 1.00 0.00 C ATOM 1006 O THR B 10 -0.922 3.349 -7.902 1.00 0.00 O ATOM 1007 CB THR B 10 1.448 4.264 -9.972 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.519 5.121 -10.329 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.225 4.683 -10.778 1.00 0.00 C ATOM 0 H THR B 10 3.315 4.251 -8.325 1.00 0.00 H new ATOM 0 HA THR B 10 0.753 5.237 -8.186 1.00 0.00 H new ATOM 0 HB THR B 10 1.677 3.226 -10.212 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.653 5.091 -11.299 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.459 4.642 -11.842 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.602 4.007 -10.562 1.00 0.00 H new ATOM 0 HG23 THR B 10 -0.058 5.701 -10.508 1.00 0.00 H new ATOM 1017 N GLU B 11 0.840 1.952 -7.926 1.00 0.00 N ATOM 1018 CA GLU B 11 0.059 0.771 -7.568 1.00 0.00 C ATOM 1019 C GLU B 11 -0.478 0.853 -6.137 1.00 0.00 C ATOM 1020 O GLU B 11 -1.661 0.608 -5.897 1.00 0.00 O ATOM 1021 CB GLU B 11 0.910 -0.491 -7.733 1.00 0.00 C ATOM 1022 CG GLU B 11 0.096 -1.775 -7.748 1.00 0.00 C ATOM 1023 CD GLU B 11 -0.464 -2.128 -6.384 1.00 0.00 C ATOM 1024 OE1 GLU B 11 0.336 -2.303 -5.441 1.00 0.00 O ATOM 1025 OE2 GLU B 11 -1.702 -2.227 -6.259 1.00 0.00 O ATOM 0 H GLU B 11 1.836 1.773 -8.057 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.797 0.727 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.476 -0.419 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU B 11 1.635 -0.539 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -0.725 -1.672 -8.458 1.00 0.00 H new ATOM 0 HG3 GLU B 11 0.723 -2.594 -8.102 1.00 0.00 H new ATOM 1032 N LEU B 12 0.396 1.185 -5.188 1.00 0.00 N ATOM 1033 CA LEU B 12 0.006 1.281 -3.780 1.00 0.00 C ATOM 1034 C LEU B 12 -1.236 2.154 -3.602 1.00 0.00 C ATOM 1035 O LEU B 12 -2.238 1.709 -3.041 1.00 0.00 O ATOM 1036 CB LEU B 12 1.172 1.830 -2.936 1.00 0.00 C ATOM 1037 CG LEU B 12 1.992 0.774 -2.184 1.00 0.00 C ATOM 1038 CD1 LEU B 12 1.134 0.049 -1.150 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.608 -0.216 -3.164 1.00 0.00 C ATOM 0 H LEU B 12 1.379 1.392 -5.367 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.239 0.277 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.842 2.387 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.772 2.539 -2.211 1.00 0.00 H new ATOM 0 HG LEU B 12 2.797 1.282 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.740 -0.694 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.747 0.769 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.302 -0.446 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU B 12 3.187 -0.959 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.816 -0.714 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.262 0.315 -3.855 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.174 3.389 -4.085 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.306 4.302 -3.977 1.00 0.00 C ATOM 1053 C LEU B 13 -3.519 3.724 -4.702 1.00 0.00 C ATOM 1054 O LEU B 13 -4.652 3.853 -4.237 1.00 0.00 O ATOM 1055 CB LEU B 13 -1.941 5.676 -4.558 1.00 0.00 C ATOM 1056 CG LEU B 13 -1.138 6.589 -3.626 1.00 0.00 C ATOM 1057 CD1 LEU B 13 0.034 5.839 -3.013 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -0.651 7.822 -4.379 1.00 0.00 C ATOM 0 H LEU B 13 -0.356 3.780 -4.553 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.555 4.427 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.368 5.525 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.861 6.189 -4.839 1.00 0.00 H new ATOM 0 HG LEU B 13 -1.793 6.913 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.590 6.507 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.337 4.990 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU B 13 0.691 5.481 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.082 8.460 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.014 7.514 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.508 8.375 -4.765 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.273 3.085 -5.839 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.351 2.487 -6.616 1.00 0.00 C ATOM 1072 C GLN B 14 -5.054 1.394 -5.817 1.00 0.00 C ATOM 1073 O GLN B 14 -6.277 1.266 -5.862 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.828 1.916 -7.936 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.915 1.762 -8.995 1.00 0.00 C ATOM 1076 CD GLN B 14 -4.612 0.681 -10.014 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -3.331 0.460 -10.293 1.00 0.00 O flip ATOM 1078 NE2 GLN B 14 -5.525 0.052 -10.547 1.00 0.00 N flip ATOM 0 H GLN B 14 -2.343 2.968 -6.241 1.00 0.00 H new ATOM 0 HA GLN B 14 -5.070 3.274 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -3.044 2.568 -8.321 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -3.371 0.944 -7.749 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.861 1.534 -8.504 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.046 2.713 -9.512 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -6.494 0.255 -10.303 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -5.313 -0.672 -11.233 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.270 0.605 -5.088 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.830 -0.472 -4.290 1.00 0.00 C ATOM 1089 C GLY B 15 -5.859 0.013 -3.287 1.00 0.00 C ATOM 1090 O GLY B 15 -6.799 -0.707 -2.950 1.00 0.00 O ATOM 0 H GLY B 15 -3.255 0.692 -5.036 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.291 -1.206 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -4.025 -0.982 -3.760 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.670 1.236 -2.802 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.576 1.832 -1.822 1.00 0.00 C ATOM 1096 C TYR B 16 -7.835 2.377 -2.494 1.00 0.00 C ATOM 1097 O TYR B 16 -8.948 2.091 -2.066 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.856 2.951 -1.067 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.719 3.662 -0.043 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -7.176 2.997 1.090 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -7.069 4.999 -0.203 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.956 3.642 2.031 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.847 5.650 0.735 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.288 4.968 1.848 1.00 0.00 C ATOM 1105 OH TYR B 16 -9.063 5.616 2.783 1.00 0.00 O ATOM 0 H TYR B 16 -4.893 1.838 -3.073 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.880 1.056 -1.119 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.984 2.533 -0.564 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.488 3.682 -1.787 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.917 1.959 1.237 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.727 5.537 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.304 3.111 2.905 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -8.108 6.689 0.596 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.588 6.408 3.110 1.00 0.00 H new ATOM 1115 N THR B 17 -7.653 3.171 -3.542 1.00 0.00 N ATOM 1116 CA THR B 17 -8.784 3.759 -4.258 1.00 0.00 C ATOM 1117 C THR B 17 -9.793 2.694 -4.694 1.00 0.00 C ATOM 1118 O THR B 17 -10.981 2.796 -4.393 1.00 0.00 O ATOM 1119 CB THR B 17 -8.291 4.539 -5.486 1.00 0.00 C ATOM 1120 OG1 THR B 17 -7.152 3.913 -6.046 1.00 0.00 O ATOM 1121 CG2 THR B 17 -7.923 5.983 -5.194 1.00 0.00 C ATOM 0 H THR B 17 -6.738 3.423 -3.916 1.00 0.00 H new ATOM 0 HA THR B 17 -9.287 4.440 -3.572 1.00 0.00 H new ATOM 0 HB THR B 17 -9.134 4.538 -6.178 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.195 2.948 -5.881 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.585 6.465 -6.111 1.00 0.00 H new ATOM 0 HG22 THR B 17 -8.796 6.510 -4.808 1.00 0.00 H new ATOM 0 HG23 THR B 17 -7.124 6.012 -4.453 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.321 1.687 -5.426 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.197 0.626 -5.928 1.00 0.00 C ATOM 1131 C VAL B 18 -11.153 0.095 -4.860 1.00 0.00 C ATOM 1132 O VAL B 18 -12.328 -0.140 -5.136 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.389 -0.557 -6.510 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.598 -0.128 -7.741 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.466 -1.152 -5.457 1.00 0.00 C ATOM 0 H VAL B 18 -8.340 1.582 -5.685 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.787 1.088 -6.720 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.097 -1.327 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.039 -0.980 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.284 0.235 -8.506 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.904 0.667 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -7.908 -1.982 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.770 -0.388 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.058 -1.512 -4.616 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.653 -0.088 -3.640 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.488 -0.587 -2.548 1.00 0.00 C ATOM 1147 C GLU B 19 -12.349 0.531 -1.966 1.00 0.00 C ATOM 1148 O GLU B 19 -13.467 0.294 -1.511 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.638 -1.238 -1.452 1.00 0.00 C ATOM 1150 CG GLU B 19 -9.642 -0.299 -0.790 1.00 0.00 C ATOM 1151 CD GLU B 19 -9.143 -0.827 0.539 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -9.068 -2.064 0.697 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -8.832 -0.003 1.426 1.00 0.00 O ATOM 0 H GLU B 19 -9.684 0.099 -3.383 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.149 -1.350 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -11.301 -1.643 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -10.095 -2.080 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -8.794 -0.144 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -10.110 0.674 -0.638 1.00 0.00 H new ATOM 1160 N VAL B 20 -11.824 1.754 -1.993 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.553 2.905 -1.476 1.00 0.00 C ATOM 1162 C VAL B 20 -13.818 3.139 -2.293 1.00 0.00 C ATOM 1163 O VAL B 20 -14.919 3.162 -1.757 1.00 0.00 O ATOM 1164 CB VAL B 20 -11.681 4.184 -1.494 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.510 5.418 -1.149 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -10.495 4.044 -0.540 1.00 0.00 C ATOM 0 H VAL B 20 -10.900 1.971 -2.366 1.00 0.00 H new ATOM 0 HA VAL B 20 -12.820 2.687 -0.442 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.293 4.312 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -11.872 6.302 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -13.312 5.533 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.938 5.302 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -9.896 4.954 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -10.861 3.882 0.474 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.882 3.196 -0.844 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.649 3.314 -3.597 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.780 3.548 -4.487 1.00 0.00 C ATOM 1178 C LEU B 21 -15.853 2.471 -4.308 1.00 0.00 C ATOM 1179 O LEU B 21 -17.046 2.770 -4.277 1.00 0.00 O ATOM 1180 CB LEU B 21 -14.305 3.590 -5.946 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.664 4.924 -6.390 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -12.166 4.767 -6.627 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -14.340 5.459 -7.645 1.00 0.00 C ATOM 0 H LEU B 21 -12.741 3.299 -4.062 1.00 0.00 H new ATOM 0 HA LEU B 21 -15.222 4.511 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.582 2.789 -6.099 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -15.155 3.380 -6.595 1.00 0.00 H new ATOM 0 HG LEU B 21 -13.808 5.641 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -11.745 5.723 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -11.684 4.441 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -11.997 4.025 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -13.872 6.399 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -14.235 4.734 -8.452 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -15.398 5.628 -7.444 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.417 1.218 -4.210 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.340 0.092 -4.054 1.00 0.00 C ATOM 1197 C ARG B 22 -17.008 0.054 -2.677 1.00 0.00 C ATOM 1198 O ARG B 22 -18.074 -0.544 -2.525 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.600 -1.226 -4.285 1.00 0.00 C ATOM 1200 CG ARG B 22 -15.199 -1.454 -5.727 1.00 0.00 C ATOM 1201 CD ARG B 22 -14.608 -2.840 -5.921 1.00 0.00 C ATOM 1202 NE ARG B 22 -13.406 -3.040 -5.113 1.00 0.00 N ATOM 1203 CZ ARG B 22 -12.872 -4.231 -4.853 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -13.415 -5.337 -5.349 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -11.786 -4.319 -4.097 1.00 0.00 N ATOM 0 H ARG B 22 -14.432 0.955 -4.236 1.00 0.00 H new ATOM 0 HA ARG B 22 -17.125 0.228 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -14.706 -1.245 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -16.234 -2.050 -3.959 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -16.069 -1.333 -6.372 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -14.472 -0.700 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -15.352 -3.592 -5.657 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -14.366 -2.987 -6.974 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.948 -2.215 -4.724 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -14.248 -5.278 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.999 -6.246 -5.144 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.361 -3.474 -3.715 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.376 -5.231 -3.897 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.378 0.659 -1.672 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.924 0.648 -0.309 1.00 0.00 C ATOM 1221 C GLN B 23 -17.507 2.000 0.082 1.00 0.00 C ATOM 1222 O GLN B 23 -18.626 2.079 0.587 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.833 0.241 0.686 1.00 0.00 C ATOM 1224 CG GLN B 23 -15.413 -1.214 0.558 1.00 0.00 C ATOM 1225 CD GLN B 23 -14.388 -1.623 1.598 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -13.279 -2.036 1.262 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -14.759 -1.514 2.869 1.00 0.00 N ATOM 0 H GLN B 23 -15.495 1.161 -1.770 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.735 -0.080 -0.284 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -14.961 0.878 0.538 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -16.191 0.421 1.700 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -16.293 -1.851 0.651 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -15.001 -1.383 -0.437 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -15.689 -1.166 3.101 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -14.113 -1.778 3.613 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.735 3.055 -0.141 1.00 0.00 N ATOM 1237 CA GLN B 24 -17.160 4.408 0.195 1.00 0.00 C ATOM 1238 C GLN B 24 -17.300 4.563 1.710 1.00 0.00 C ATOM 1239 O GLN B 24 -18.399 4.444 2.252 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.488 4.753 -0.492 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.496 4.473 -1.989 1.00 0.00 C ATOM 1242 CD GLN B 24 -17.770 5.540 -2.787 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -17.370 6.571 -2.246 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -17.598 5.295 -4.081 1.00 0.00 N ATOM 0 H GLN B 24 -15.805 2.999 -0.556 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.397 5.099 -0.163 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.289 4.183 -0.021 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.708 5.808 -0.328 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -18.031 3.505 -2.176 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -19.527 4.404 -2.336 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -17.947 4.426 -4.486 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -17.117 5.976 -4.669 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.184 4.818 2.421 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.193 4.969 3.876 1.00 0.00 C ATOM 1255 C PRO B 25 -16.559 6.387 4.318 1.00 0.00 C ATOM 1256 O PRO B 25 -16.602 7.305 3.499 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.748 4.641 4.247 1.00 0.00 C ATOM 1258 CG PRO B 25 -13.954 5.148 3.091 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.822 4.963 1.867 1.00 0.00 C ATOM 0 HA PRO B 25 -16.936 4.334 4.358 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.454 5.128 5.177 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.606 3.570 4.390 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.694 6.198 3.228 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -13.018 4.598 2.991 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.752 5.818 1.194 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.526 4.083 1.296 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.825 6.591 5.625 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.183 7.907 6.157 1.00 0.00 C ATOM 1269 C PRO B 26 -15.982 8.847 6.223 1.00 0.00 C ATOM 1270 O PRO B 26 -16.122 10.059 6.059 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.712 7.606 7.577 1.00 0.00 C ATOM 1272 CG PRO B 26 -17.799 6.116 7.671 1.00 0.00 C ATOM 1273 CD PRO B 26 -16.802 5.575 6.688 1.00 0.00 C ATOM 0 HA PRO B 26 -17.912 8.413 5.523 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -17.042 8.007 8.337 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.687 8.066 7.737 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.573 5.776 8.682 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -18.805 5.769 7.436 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -15.811 5.471 7.130 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.090 4.592 6.317 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.800 8.280 6.470 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.570 9.063 6.566 1.00 0.00 C ATOM 1283 C ASP B 27 -12.456 8.430 5.743 1.00 0.00 C ATOM 1284 O ASP B 27 -12.264 7.214 5.765 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.136 9.190 8.027 1.00 0.00 C ATOM 1286 CG ASP B 27 -12.056 10.236 8.221 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -10.874 9.923 7.967 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -12.393 11.369 8.624 1.00 0.00 O ATOM 0 H ASP B 27 -14.670 7.278 6.607 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.769 10.057 6.166 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -14.001 9.447 8.639 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.771 8.225 8.380 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.727 9.267 5.015 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.630 8.802 4.176 1.00 0.00 C ATOM 1295 C LEU B 28 -9.342 8.650 4.984 1.00 0.00 C ATOM 1296 O LEU B 28 -8.484 7.833 4.649 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.406 9.775 3.016 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.593 9.930 2.058 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -11.389 11.133 1.146 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -11.790 8.661 1.236 1.00 0.00 C ATOM 0 H LEU B 28 -11.877 10.276 4.989 1.00 0.00 H new ATOM 0 HA LEU B 28 -10.901 7.823 3.779 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.160 10.754 3.426 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.539 9.442 2.445 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.493 10.096 2.651 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -12.241 11.228 0.473 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -11.301 12.036 1.750 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.479 10.997 0.562 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -12.637 8.792 0.563 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -10.891 8.462 0.653 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -11.983 7.821 1.904 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.212 9.439 6.049 1.00 0.00 N ATOM 1313 CA VAL B 29 -8.023 9.383 6.897 1.00 0.00 C ATOM 1314 C VAL B 29 -7.987 8.089 7.706 1.00 0.00 C ATOM 1315 O VAL B 29 -6.934 7.470 7.857 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.947 10.586 7.872 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -6.546 10.706 8.470 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -8.354 11.881 7.172 1.00 0.00 C ATOM 0 H VAL B 29 -9.911 10.121 6.344 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.164 9.422 6.227 1.00 0.00 H new ATOM 0 HB VAL B 29 -8.650 10.410 8.686 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -6.513 11.556 9.152 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -6.304 9.794 9.015 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -5.820 10.854 7.670 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -8.293 12.710 7.877 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -7.684 12.067 6.333 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -9.377 11.791 6.806 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.143 7.691 8.229 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.243 6.476 9.032 1.00 0.00 C ATOM 1330 C GLU B 30 -9.154 5.227 8.161 1.00 0.00 C ATOM 1331 O GLU B 30 -8.304 4.363 8.381 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.554 6.467 9.820 1.00 0.00 C ATOM 1333 CG GLU B 30 -10.713 7.659 10.750 1.00 0.00 C ATOM 1334 CD GLU B 30 -11.907 7.522 11.674 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -13.051 7.656 11.191 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -11.698 7.282 12.882 1.00 0.00 O ATOM 0 H GLU B 30 -10.024 8.192 8.111 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.404 6.467 9.728 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -11.389 6.449 9.120 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.610 5.550 10.406 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -9.808 7.773 11.346 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.820 8.567 10.156 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.039 5.136 7.175 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.069 3.991 6.271 1.00 0.00 C ATOM 1345 C PHE B 31 -8.693 3.708 5.672 1.00 0.00 C ATOM 1346 O PHE B 31 -8.397 2.578 5.280 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.086 4.235 5.157 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.411 3.000 4.366 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -12.110 1.955 4.949 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -11.019 2.883 3.044 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.412 0.817 4.226 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.318 1.748 2.315 1.00 0.00 C ATOM 1353 CZ PHE B 31 -12.015 0.714 2.907 1.00 0.00 C ATOM 0 H PHE B 31 -10.748 5.843 6.980 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.364 3.116 6.850 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -12.003 4.630 5.593 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.699 4.998 4.482 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.422 2.031 5.980 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.473 3.689 2.576 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.958 0.009 4.691 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -11.007 1.670 1.284 1.00 0.00 H new ATOM 0 HZ PHE B 31 -12.250 -0.174 2.340 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.855 4.736 5.601 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.513 4.593 5.045 1.00 0.00 C ATOM 1365 C ALA B 32 -5.553 3.942 6.035 1.00 0.00 C ATOM 1366 O ALA B 32 -4.701 3.144 5.645 1.00 0.00 O ATOM 1367 CB ALA B 32 -5.986 5.947 4.604 1.00 0.00 C ATOM 0 H ALA B 32 -8.080 5.678 5.921 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.580 3.934 4.179 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -4.984 5.830 4.191 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.646 6.364 3.844 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -5.949 6.620 5.461 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.685 4.284 7.312 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.809 3.718 8.330 1.00 0.00 C ATOM 1375 C VAL B 33 -4.969 2.202 8.401 1.00 0.00 C ATOM 1376 O VAL B 33 -3.993 1.471 8.550 1.00 0.00 O ATOM 1377 CB VAL B 33 -5.052 4.364 9.728 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -5.994 3.531 10.594 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -3.730 4.593 10.453 1.00 0.00 C ATOM 0 H VAL B 33 -6.381 4.942 7.663 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.783 3.945 8.039 1.00 0.00 H new ATOM 0 HB VAL B 33 -5.534 5.326 9.555 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.132 4.022 11.557 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.958 3.435 10.094 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -5.565 2.541 10.749 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -3.922 5.044 11.426 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.220 3.639 10.590 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.101 5.259 9.862 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.210 1.737 8.292 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.506 0.308 8.347 1.00 0.00 C ATOM 1391 C GLU B 34 -5.931 -0.424 7.138 1.00 0.00 C ATOM 1392 O GLU B 34 -5.303 -1.473 7.276 1.00 0.00 O ATOM 1393 CB GLU B 34 -8.017 0.085 8.418 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.682 0.789 9.589 1.00 0.00 C ATOM 1395 CD GLU B 34 -10.133 0.385 9.766 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -10.963 0.763 8.914 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -10.438 -0.310 10.758 1.00 0.00 O ATOM 0 H GLU B 34 -7.030 2.331 8.165 1.00 0.00 H new ATOM 0 HA GLU B 34 -6.038 -0.096 9.245 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.471 0.433 7.490 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.215 -0.985 8.488 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.132 0.564 10.503 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.625 1.867 9.440 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.151 0.135 5.954 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.661 -0.465 4.716 1.00 0.00 C ATOM 1406 C TYR B 35 -4.148 -0.652 4.754 1.00 0.00 C ATOM 1407 O TYR B 35 -3.647 -1.745 4.489 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.049 0.412 3.524 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.655 -0.163 2.176 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -6.375 -1.206 1.606 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -4.573 0.350 1.467 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -6.029 -1.723 0.370 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -4.221 -0.163 0.233 1.00 0.00 C ATOM 1414 CZ TYR B 35 -4.951 -1.199 -0.310 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.605 -1.710 -1.540 1.00 0.00 O ATOM 0 H TYR B 35 -6.667 1.005 5.824 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.121 -1.448 4.609 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.128 0.569 3.538 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.583 1.390 3.640 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -7.219 -1.620 2.137 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -3.999 1.162 1.888 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -6.601 -2.533 -0.059 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -3.378 0.246 -0.304 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.402 -2.076 -1.978 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.417 0.410 5.071 1.00 0.00 N ATOM 1426 CA PHE B 36 -1.960 0.343 5.126 1.00 0.00 C ATOM 1427 C PHE B 36 -1.483 -0.519 6.297 1.00 0.00 C ATOM 1428 O PHE B 36 -0.651 -1.408 6.117 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.365 1.754 5.213 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.270 2.437 3.874 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.332 2.022 2.943 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.118 3.484 3.542 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.240 2.634 1.708 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.029 4.102 2.308 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.089 3.675 1.390 1.00 0.00 C ATOM 0 H PHE B 36 -3.807 1.326 5.293 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.610 -0.128 4.208 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -1.977 2.360 5.881 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.371 1.696 5.656 1.00 0.00 H new ATOM 0 HD1 PHE B 36 0.336 1.209 3.186 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -2.856 3.820 4.255 1.00 0.00 H new ATOM 0 HE1 PHE B 36 0.495 2.298 0.992 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -2.693 4.917 2.062 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.019 4.155 0.425 1.00 0.00 H new ATOM 1445 N THR B 37 -2.010 -0.261 7.492 1.00 0.00 N ATOM 1446 CA THR B 37 -1.619 -1.032 8.671 1.00 0.00 C ATOM 1447 C THR B 37 -1.873 -2.525 8.447 1.00 0.00 C ATOM 1448 O THR B 37 -1.061 -3.367 8.827 1.00 0.00 O ATOM 1449 CB THR B 37 -2.379 -0.555 9.912 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.777 -0.644 9.711 1.00 0.00 O ATOM 1451 CG2 THR B 37 -2.056 0.873 10.313 1.00 0.00 C ATOM 0 H THR B 37 -2.701 0.468 7.669 1.00 0.00 H new ATOM 0 HA THR B 37 -0.553 -0.876 8.834 1.00 0.00 H new ATOM 0 HB THR B 37 -2.054 -1.216 10.715 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.049 -0.008 9.017 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.631 1.141 11.199 1.00 0.00 H new ATOM 0 HG22 THR B 37 -0.992 0.958 10.532 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.313 1.547 9.496 1.00 0.00 H new ATOM 1459 N ARG B 38 -3.004 -2.839 7.818 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.364 -4.228 7.533 1.00 0.00 C ATOM 1461 C ARG B 38 -2.243 -4.918 6.756 1.00 0.00 C ATOM 1462 O ARG B 38 -1.841 -6.034 7.084 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.680 -4.296 6.746 1.00 0.00 C ATOM 1464 CG ARG B 38 -5.920 -4.288 7.629 1.00 0.00 C ATOM 1465 CD ARG B 38 -7.185 -4.041 6.819 1.00 0.00 C ATOM 1466 NE ARG B 38 -8.360 -3.868 7.672 1.00 0.00 N ATOM 1467 CZ ARG B 38 -8.989 -4.865 8.292 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -8.563 -6.116 8.163 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -10.049 -4.610 9.046 1.00 0.00 N ATOM 0 H ARG B 38 -3.686 -2.152 7.496 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.504 -4.748 8.480 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -4.727 -3.450 6.060 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.683 -5.200 6.138 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.002 -5.242 8.150 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -5.819 -3.516 8.391 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -7.052 -3.153 6.202 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.350 -4.878 6.141 1.00 0.00 H new ATOM 0 HE ARG B 38 -8.721 -2.923 7.801 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -7.748 -6.320 7.585 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -9.051 -6.873 8.642 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -10.382 -3.651 9.151 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -10.532 -5.372 9.522 1.00 0.00 H new ATOM 1483 N LEU B 39 -1.738 -4.236 5.733 1.00 0.00 N ATOM 1484 CA LEU B 39 -0.657 -4.774 4.915 1.00 0.00 C ATOM 1485 C LEU B 39 0.654 -4.758 5.695 1.00 0.00 C ATOM 1486 O LEU B 39 1.518 -5.612 5.501 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.507 -3.962 3.626 1.00 0.00 C ATOM 1488 CG LEU B 39 -1.761 -3.894 2.748 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -1.592 -2.848 1.654 1.00 0.00 C ATOM 1490 CD2 LEU B 39 -2.066 -5.257 2.143 1.00 0.00 C ATOM 0 H LEU B 39 -2.060 -3.310 5.451 1.00 0.00 H new ATOM 0 HA LEU B 39 -0.902 -5.804 4.655 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.211 -2.946 3.888 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.306 -4.390 3.039 1.00 0.00 H new ATOM 0 HG LEU B 39 -2.603 -3.602 3.375 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.492 -2.814 1.041 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.425 -1.871 2.107 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -0.737 -3.109 1.030 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -2.960 -5.188 1.523 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -1.224 -5.580 1.531 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.233 -5.980 2.941 1.00 0.00 H new ATOM 1502 N ARG B 40 0.786 -3.775 6.578 1.00 0.00 N ATOM 1503 CA ARG B 40 1.980 -3.626 7.400 1.00 0.00 C ATOM 1504 C ARG B 40 2.068 -4.723 8.457 1.00 0.00 C ATOM 1505 O ARG B 40 3.150 -5.230 8.750 1.00 0.00 O ATOM 1506 CB ARG B 40 1.977 -2.251 8.068 1.00 0.00 C ATOM 1507 CG ARG B 40 3.333 -1.827 8.597 1.00 0.00 C ATOM 1508 CD ARG B 40 4.310 -1.520 7.472 1.00 0.00 C ATOM 1509 NE ARG B 40 5.687 -1.553 7.944 1.00 0.00 N ATOM 1510 CZ ARG B 40 6.745 -1.809 7.172 1.00 0.00 C ATOM 1511 NH1 ARG B 40 6.596 -2.043 5.873 1.00 0.00 N ATOM 1512 NH2 ARG B 40 7.960 -1.826 7.703 1.00 0.00 N ATOM 0 H ARG B 40 0.074 -3.064 6.743 1.00 0.00 H new ATOM 0 HA ARG B 40 2.853 -3.716 6.753 1.00 0.00 H new ATOM 0 HB2 ARG B 40 1.629 -1.509 7.350 1.00 0.00 H new ATOM 0 HB3 ARG B 40 1.262 -2.258 8.891 1.00 0.00 H new ATOM 0 HG2 ARG B 40 3.217 -0.946 9.228 1.00 0.00 H new ATOM 0 HG3 ARG B 40 3.741 -2.618 9.226 1.00 0.00 H new ATOM 0 HD2 ARG B 40 4.181 -2.245 6.668 1.00 0.00 H new ATOM 0 HD3 ARG B 40 4.090 -0.538 7.054 1.00 0.00 H new ATOM 0 HE ARG B 40 5.855 -1.368 8.933 1.00 0.00 H new ATOM 0 HH11 ARG B 40 5.665 -2.028 5.456 1.00 0.00 H new ATOM 0 HH12 ARG B 40 7.412 -2.237 5.293 1.00 0.00 H new ATOM 0 HH21 ARG B 40 8.084 -1.644 8.699 1.00 0.00 H new ATOM 0 HH22 ARG B 40 8.771 -2.021 7.116 1.00 0.00 H new ATOM 1754 N GLU C 591 -13.861 -3.771 -13.685 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.399 -2.917 -14.781 1.00 0.00 C ATOM 1756 C GLU C 591 -13.486 -1.419 -14.465 1.00 0.00 C ATOM 1757 O GLU C 591 -12.480 -0.793 -14.130 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.192 -3.231 -16.055 1.00 0.00 C ATOM 1759 CG GLU C 591 -13.810 -4.555 -16.697 1.00 0.00 C ATOM 1760 CD GLU C 591 -14.615 -4.850 -17.948 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -15.206 -3.905 -18.511 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -14.655 -6.028 -18.364 1.00 0.00 O ATOM 0 HA GLU C 591 -12.342 -3.141 -14.928 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.256 -3.245 -15.817 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -14.038 -2.429 -16.776 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -12.749 -4.541 -16.947 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -13.957 -5.360 -15.977 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.680 -0.841 -14.603 1.00 0.00 N ATOM 1770 CA GLU C 592 -14.893 0.589 -14.367 1.00 0.00 C ATOM 1771 C GLU C 592 -14.262 1.072 -13.060 1.00 0.00 C ATOM 1772 O GLU C 592 -13.912 2.246 -12.929 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.393 0.896 -14.372 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.035 0.777 -15.751 1.00 0.00 C ATOM 1775 CD GLU C 592 -17.015 2.083 -16.525 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -16.236 2.983 -16.151 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -17.781 2.203 -17.506 1.00 0.00 O ATOM 0 H GLU C 592 -15.522 -1.346 -14.880 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.399 1.128 -15.175 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -16.897 0.216 -13.686 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.550 1.906 -13.993 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -16.512 0.012 -16.325 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -18.066 0.442 -15.639 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.121 0.168 -12.102 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.531 0.505 -10.809 1.00 0.00 C ATOM 1786 C ILE C 593 -12.026 0.702 -10.936 1.00 0.00 C ATOM 1787 O ILE C 593 -11.425 1.462 -10.175 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.830 -0.592 -9.757 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.229 -0.392 -9.155 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -12.766 -0.626 -8.660 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.352 0.811 -8.235 1.00 0.00 C ATOM 0 H ILE C 593 -14.407 -0.807 -12.193 1.00 0.00 H new ATOM 0 HA ILE C 593 -13.982 1.439 -10.475 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.804 -1.556 -10.265 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -15.949 -0.288 -9.967 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.503 -1.289 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -13.010 -1.408 -7.941 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.792 -0.832 -9.104 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -12.736 0.338 -8.152 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.372 0.876 -7.855 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -14.660 0.703 -7.400 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.113 1.719 -8.789 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.419 0.025 -11.905 1.00 0.00 N ATOM 1804 CA TRP C 594 -9.985 0.139 -12.134 1.00 0.00 C ATOM 1805 C TRP C 594 -9.654 1.399 -12.914 1.00 0.00 C ATOM 1806 O TRP C 594 -8.734 2.135 -12.559 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.460 -1.091 -12.875 1.00 0.00 C ATOM 1808 CG TRP C 594 -7.986 -1.037 -13.125 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.358 -0.452 -14.184 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -6.955 -1.584 -12.295 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -5.997 -0.599 -14.065 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.726 -1.294 -12.914 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -6.953 -2.290 -11.089 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.508 -1.687 -12.367 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -5.743 -2.679 -10.548 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.535 -2.378 -11.186 1.00 0.00 C ATOM 0 H TRP C 594 -11.899 -0.609 -12.544 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.496 0.200 -11.162 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.692 -1.984 -12.295 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -9.981 -1.185 -13.828 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -7.857 0.053 -14.998 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.302 -0.249 -14.724 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -7.881 -2.527 -10.589 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.574 -1.455 -12.857 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -5.729 -3.225 -9.616 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.606 -2.697 -10.738 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.415 1.651 -13.969 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.199 2.836 -14.783 1.00 0.00 C ATOM 1829 C LYS C 595 -10.288 4.083 -13.912 1.00 0.00 C ATOM 1830 O LYS C 595 -9.466 4.992 -14.029 1.00 0.00 O ATOM 1831 CB LYS C 595 -11.228 2.911 -15.920 1.00 0.00 C ATOM 1832 CG LYS C 595 -11.522 1.568 -16.579 1.00 0.00 C ATOM 1833 CD LYS C 595 -12.122 1.734 -17.969 1.00 0.00 C ATOM 1834 CE LYS C 595 -13.296 2.701 -17.968 1.00 0.00 C ATOM 1835 NZ LYS C 595 -14.047 2.664 -19.254 1.00 0.00 N ATOM 0 H LYS C 595 -11.182 1.055 -14.279 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.205 2.777 -15.226 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -12.158 3.323 -15.528 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -10.866 3.605 -16.679 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -10.601 0.989 -16.648 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -12.210 1.000 -15.953 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -11.355 2.095 -18.655 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -12.451 0.764 -18.341 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -13.969 2.454 -17.147 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -12.933 3.713 -17.789 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -14.839 3.337 -19.213 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -13.411 2.925 -20.035 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -14.416 1.705 -19.413 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.302 4.130 -13.054 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.504 5.282 -12.184 1.00 0.00 C ATOM 1851 C LYS C 596 -10.434 5.371 -11.095 1.00 0.00 C ATOM 1852 O LYS C 596 -9.761 6.395 -10.972 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.906 5.225 -11.558 1.00 0.00 C ATOM 1854 CG LYS C 596 -14.010 5.743 -12.480 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.239 7.242 -12.300 1.00 0.00 C ATOM 1856 CE LYS C 596 -15.104 7.827 -13.408 1.00 0.00 C ATOM 1857 NZ LYS C 596 -16.551 7.552 -13.189 1.00 0.00 N ATOM 0 H LYS C 596 -11.993 3.388 -12.943 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.417 6.181 -12.795 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -13.129 4.195 -11.281 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -12.908 5.810 -10.638 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -13.744 5.537 -13.517 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -14.936 5.206 -12.276 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -14.715 7.422 -11.336 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -13.278 7.755 -12.282 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -14.944 8.904 -13.463 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -14.797 7.410 -14.367 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -17.105 7.967 -13.965 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -16.709 6.524 -13.162 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -16.852 7.972 -12.286 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.270 4.308 -10.295 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.278 4.299 -9.223 1.00 0.00 C ATOM 1873 C ALA C 597 -7.916 4.771 -9.727 1.00 0.00 C ATOM 1874 O ALA C 597 -7.192 5.476 -9.026 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.159 2.898 -8.642 1.00 0.00 C ATOM 0 H ALA C 597 -10.812 3.448 -10.374 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.609 4.988 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.418 2.897 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -10.124 2.587 -8.242 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -8.850 2.205 -9.424 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.582 4.378 -10.953 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.313 4.759 -11.566 1.00 0.00 C ATOM 1883 C GLU C 598 -6.242 6.276 -11.744 1.00 0.00 C ATOM 1884 O GLU C 598 -5.164 6.867 -11.685 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.135 4.044 -12.914 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.555 2.640 -12.789 1.00 0.00 C ATOM 1887 CD GLU C 598 -4.049 2.643 -12.597 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -3.597 2.826 -11.448 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -3.323 2.463 -13.598 1.00 0.00 O ATOM 0 H GLU C 598 -8.175 3.794 -11.543 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.501 4.454 -10.906 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -7.101 3.985 -13.415 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.482 4.642 -13.550 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -6.024 2.132 -11.946 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -5.802 2.068 -13.684 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.396 6.900 -11.950 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.463 8.348 -12.124 1.00 0.00 C ATOM 1898 C GLU C 599 -7.076 9.056 -10.827 1.00 0.00 C ATOM 1899 O GLU C 599 -6.304 10.015 -10.841 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.870 8.767 -12.556 1.00 0.00 C ATOM 1901 CG GLU C 599 -8.940 10.184 -13.102 1.00 0.00 C ATOM 1902 CD GLU C 599 -10.269 10.488 -13.766 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -11.316 10.305 -13.109 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -10.263 10.910 -14.942 1.00 0.00 O ATOM 0 H GLU C 599 -8.298 6.427 -12.001 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.758 8.637 -12.904 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -9.229 8.075 -13.317 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -9.544 8.681 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -8.774 10.891 -12.289 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -8.136 10.332 -13.823 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.613 8.581 -9.711 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.322 9.173 -8.409 1.00 0.00 C ATOM 1913 C ALA C 600 -5.820 9.205 -8.131 1.00 0.00 C ATOM 1914 O ALA C 600 -5.330 10.089 -7.428 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.055 8.407 -7.315 1.00 0.00 C ATOM 0 H ALA C 600 -8.253 7.787 -9.680 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.674 10.205 -8.418 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.833 8.855 -6.346 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.129 8.450 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.728 7.367 -7.318 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.096 8.229 -8.673 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.651 8.142 -8.463 1.00 0.00 C ATOM 1923 C VAL C 601 -2.874 9.032 -9.423 1.00 0.00 C ATOM 1924 O VAL C 601 -1.959 9.742 -9.014 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.151 6.693 -8.599 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.672 6.589 -8.230 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -3.995 5.783 -7.727 1.00 0.00 C ATOM 0 H VAL C 601 -5.483 7.489 -9.259 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.471 8.493 -7.447 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.251 6.379 -9.638 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.343 5.555 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.086 7.225 -8.893 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.531 6.913 -7.199 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.641 4.756 -7.823 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -3.915 6.099 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.036 5.839 -8.044 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.249 8.998 -10.694 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.584 9.816 -11.702 1.00 0.00 C ATOM 1939 C ASN C 602 -2.841 11.293 -11.433 1.00 0.00 C ATOM 1940 O ASN C 602 -1.954 12.130 -11.603 1.00 0.00 O ATOM 1941 CB ASN C 602 -3.075 9.442 -13.103 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.598 8.066 -13.535 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -1.606 8.032 -14.418 1.00 0.00 O flip ATOM 1944 ND2 ASN C 602 -3.115 7.047 -13.079 1.00 0.00 N flip ATOM 0 H ASN C 602 -4.006 8.416 -11.052 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.511 9.629 -11.648 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.165 9.469 -13.122 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -2.725 10.186 -13.818 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -3.875 7.120 -12.402 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -2.784 6.130 -13.377 1.00 0.00 H new ATOM 1951 N GLU C 603 -4.056 11.605 -11.006 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.427 12.983 -10.705 1.00 0.00 C ATOM 1953 C GLU C 603 -3.662 13.496 -9.486 1.00 0.00 C ATOM 1954 O GLU C 603 -2.972 14.512 -9.574 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.936 13.087 -10.464 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.762 13.013 -11.739 1.00 0.00 C ATOM 1957 CD GLU C 603 -8.220 13.365 -11.511 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -8.864 12.706 -10.667 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -8.717 14.298 -12.176 1.00 0.00 O ATOM 0 H GLU C 603 -4.802 10.925 -10.860 1.00 0.00 H new ATOM 0 HA GLU C 603 -4.164 13.603 -11.562 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.245 12.285 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -6.151 14.027 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -6.340 13.691 -12.481 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -6.695 12.007 -12.153 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.784 12.813 -8.348 1.00 0.00 N ATOM 1967 CA VAL C 604 -3.095 13.242 -7.137 1.00 0.00 C ATOM 1968 C VAL C 604 -1.578 13.276 -7.321 1.00 0.00 C ATOM 1969 O VAL C 604 -0.875 14.030 -6.648 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.448 12.378 -5.911 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -2.869 10.978 -6.034 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -2.961 13.056 -4.638 1.00 0.00 C ATOM 0 H VAL C 604 -4.348 11.970 -8.242 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.449 14.255 -6.948 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.532 12.279 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.137 10.395 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.271 10.495 -6.925 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.784 11.039 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.215 12.438 -3.777 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -1.880 13.186 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -3.439 14.031 -4.539 1.00 0.00 H new ATOM 1982 N LYS C 605 -1.079 12.450 -8.241 1.00 0.00 N ATOM 1983 CA LYS C 605 0.357 12.387 -8.518 1.00 0.00 C ATOM 1984 C LYS C 605 0.813 13.601 -9.325 1.00 0.00 C ATOM 1985 O LYS C 605 1.810 14.240 -8.992 1.00 0.00 O ATOM 1986 CB LYS C 605 0.706 11.102 -9.285 1.00 0.00 C ATOM 1987 CG LYS C 605 1.085 9.925 -8.384 1.00 0.00 C ATOM 1988 CD LYS C 605 0.881 8.571 -9.068 1.00 0.00 C ATOM 1989 CE LYS C 605 2.090 8.139 -9.890 1.00 0.00 C ATOM 1990 NZ LYS C 605 2.685 9.262 -10.665 1.00 0.00 N ATOM 0 H LYS C 605 -1.646 11.817 -8.806 1.00 0.00 H new ATOM 0 HA LYS C 605 0.877 12.385 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS C 605 -0.146 10.815 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS C 605 1.534 11.309 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS C 605 2.128 10.023 -8.084 1.00 0.00 H new ATOM 0 HG3 LYS C 605 0.487 9.962 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS C 605 0.672 7.814 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS C 605 0.006 8.624 -9.716 1.00 0.00 H new ATOM 0 HE2 LYS C 605 2.846 7.720 -9.226 1.00 0.00 H new ATOM 0 HE3 LYS C 605 1.794 7.346 -10.576 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 3.449 8.900 -11.271 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 1.952 9.701 -11.258 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 3.070 9.971 -10.009 1.00 0.00 H new ATOM 2004 N ARG C 606 0.082 13.906 -10.389 1.00 0.00 N ATOM 2005 CA ARG C 606 0.415 15.036 -11.248 1.00 0.00 C ATOM 2006 C ARG C 606 0.408 16.352 -10.467 1.00 0.00 C ATOM 2007 O ARG C 606 1.218 17.239 -10.734 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.570 15.105 -12.427 1.00 0.00 C ATOM 2009 CG ARG C 606 0.011 15.723 -13.699 1.00 0.00 C ATOM 2010 CD ARG C 606 -0.171 17.234 -13.733 1.00 0.00 C ATOM 2011 NE ARG C 606 0.610 17.857 -14.801 1.00 0.00 N ATOM 2012 CZ ARG C 606 1.934 18.000 -14.770 1.00 0.00 C ATOM 2013 NH1 ARG C 606 2.636 17.573 -13.726 1.00 0.00 N ATOM 2014 NH2 ARG C 606 2.562 18.575 -15.786 1.00 0.00 N ATOM 0 H ARG C 606 -0.747 13.386 -10.679 1.00 0.00 H new ATOM 0 HA ARG C 606 1.424 14.886 -11.632 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -0.918 14.097 -12.653 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -1.443 15.683 -12.122 1.00 0.00 H new ATOM 0 HG2 ARG C 606 1.072 15.484 -13.766 1.00 0.00 H new ATOM 0 HG3 ARG C 606 -0.471 15.280 -14.570 1.00 0.00 H new ATOM 0 HD2 ARG C 606 -1.226 17.469 -13.872 1.00 0.00 H new ATOM 0 HD3 ARG C 606 0.126 17.656 -12.773 1.00 0.00 H new ATOM 0 HE ARG C 606 0.110 18.203 -15.620 1.00 0.00 H new ATOM 0 HH11 ARG C 606 2.161 17.131 -12.939 1.00 0.00 H new ATOM 0 HH12 ARG C 606 3.649 17.687 -13.712 1.00 0.00 H new ATOM 0 HH21 ARG C 606 2.031 18.908 -16.591 1.00 0.00 H new ATOM 0 HH22 ARG C 606 3.576 18.685 -15.763 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.513 16.489 -9.513 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.605 17.721 -8.725 1.00 0.00 C ATOM 2030 C GLN C 607 0.445 17.789 -7.613 1.00 0.00 C ATOM 2031 O GLN C 607 1.122 18.805 -7.464 1.00 0.00 O ATOM 2032 CB GLN C 607 -2.004 17.888 -8.130 1.00 0.00 C ATOM 2033 CG GLN C 607 -2.356 16.848 -7.087 1.00 0.00 C ATOM 2034 CD GLN C 607 -3.838 16.827 -6.760 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -4.659 16.527 -7.761 1.00 0.00 O flip ATOM 2036 NE2 GLN C 607 -4.239 17.073 -5.624 1.00 0.00 N flip ATOM 0 H GLN C 607 -1.198 15.774 -9.268 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.407 18.541 -9.415 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.081 18.879 -7.682 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -2.738 17.844 -8.935 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -2.053 15.864 -7.444 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -1.790 17.046 -6.177 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -3.572 17.299 -4.886 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.238 17.051 -5.420 1.00 0.00 H new ATOM 2045 N ALA C 608 0.596 16.718 -6.823 1.00 0.00 N ATOM 2046 CA ALA C 608 1.578 16.689 -5.737 1.00 0.00 C ATOM 2047 C ALA C 608 2.935 17.222 -6.190 1.00 0.00 C ATOM 2048 O ALA C 608 3.635 17.895 -5.436 1.00 0.00 O ATOM 2049 CB ALA C 608 1.726 15.265 -5.224 1.00 0.00 C ATOM 0 H ALA C 608 0.050 15.862 -6.917 1.00 0.00 H new ATOM 0 HA ALA C 608 1.218 17.336 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.457 15.244 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA C 608 0.764 14.910 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.063 14.619 -6.035 1.00 0.00 H new ATOM 2055 N MET C 609 3.292 16.909 -7.427 1.00 0.00 N ATOM 2056 CA MET C 609 4.571 17.355 -7.973 1.00 0.00 C ATOM 2057 C MET C 609 4.565 18.859 -8.260 1.00 0.00 C ATOM 2058 O MET C 609 5.594 19.517 -8.112 1.00 0.00 O ATOM 2059 CB MET C 609 4.960 16.562 -9.221 1.00 0.00 C ATOM 2060 CG MET C 609 3.916 16.590 -10.323 1.00 0.00 C ATOM 2061 SD MET C 609 4.546 15.964 -11.893 1.00 0.00 S ATOM 2062 CE MET C 609 4.698 14.217 -11.527 1.00 0.00 C ATOM 0 H MET C 609 2.724 16.355 -8.067 1.00 0.00 H new ATOM 0 HA MET C 609 5.327 17.164 -7.211 1.00 0.00 H new ATOM 0 HB2 MET C 609 5.897 16.958 -9.613 1.00 0.00 H new ATOM 0 HB3 MET C 609 5.146 15.526 -8.937 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.055 15.995 -10.018 1.00 0.00 H new ATOM 0 HG3 MET C 609 3.564 17.613 -10.459 1.00 0.00 H new ATOM 0 HE1 MET C 609 5.010 13.683 -12.425 1.00 0.00 H new ATOM 0 HE2 MET C 609 5.441 14.073 -10.743 1.00 0.00 H new ATOM 0 HE3 MET C 609 3.736 13.831 -11.191 1.00 0.00 H new ATOM 2072 N THR C 610 3.416 19.422 -8.633 1.00 0.00 N ATOM 2073 CA THR C 610 3.349 20.864 -8.876 1.00 0.00 C ATOM 2074 C THR C 610 3.594 21.588 -7.553 1.00 0.00 C ATOM 2075 O THR C 610 4.219 22.647 -7.518 1.00 0.00 O ATOM 2076 CB THR C 610 1.999 21.277 -9.488 1.00 0.00 C ATOM 2077 OG1 THR C 610 0.975 20.382 -9.108 1.00 0.00 O ATOM 2078 CG2 THR C 610 2.018 21.330 -11.001 1.00 0.00 C ATOM 0 H THR C 610 2.540 18.918 -8.771 1.00 0.00 H new ATOM 0 HA THR C 610 4.115 21.141 -9.600 1.00 0.00 H new ATOM 0 HB THR C 610 1.809 22.279 -9.104 1.00 0.00 H new ATOM 0 HG1 THR C 610 1.085 20.140 -8.165 1.00 0.00 H new ATOM 0 HG21 THR C 610 1.035 21.628 -11.367 1.00 0.00 H new ATOM 0 HG22 THR C 610 2.763 22.055 -11.330 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.270 20.346 -11.396 1.00 0.00 H new ATOM 2086 N GLU C 611 3.127 20.985 -6.466 1.00 0.00 N ATOM 2087 CA GLU C 611 3.333 21.560 -5.139 1.00 0.00 C ATOM 2088 C GLU C 611 4.829 21.536 -4.807 1.00 0.00 C ATOM 2089 O GLU C 611 5.314 22.313 -3.987 1.00 0.00 O ATOM 2090 CB GLU C 611 2.494 20.808 -4.079 1.00 0.00 C ATOM 2091 CG GLU C 611 3.300 20.045 -3.033 1.00 0.00 C ATOM 2092 CD GLU C 611 3.999 20.959 -2.046 1.00 0.00 C ATOM 2093 OE1 GLU C 611 3.304 21.750 -1.375 1.00 0.00 O ATOM 2094 OE2 GLU C 611 5.242 20.885 -1.945 1.00 0.00 O ATOM 0 H GLU C 611 2.608 20.107 -6.474 1.00 0.00 H new ATOM 0 HA GLU C 611 2.994 22.596 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU C 611 1.855 21.528 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU C 611 1.837 20.105 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU C 611 2.637 19.372 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU C 611 4.042 19.425 -3.535 1.00 0.00 H new ATOM 2101 N LEU C 612 5.546 20.628 -5.473 1.00 0.00 N ATOM 2102 CA LEU C 612 6.986 20.470 -5.287 1.00 0.00 C ATOM 2103 C LEU C 612 7.748 21.380 -6.243 1.00 0.00 C ATOM 2104 O LEU C 612 8.717 22.034 -5.859 1.00 0.00 O ATOM 2105 CB LEU C 612 7.386 19.010 -5.517 1.00 0.00 C ATOM 2106 CG LEU C 612 6.956 18.041 -4.399 1.00 0.00 C ATOM 2107 CD1 LEU C 612 6.619 16.654 -4.953 1.00 0.00 C ATOM 2108 CD2 LEU C 612 8.037 17.955 -3.326 1.00 0.00 C ATOM 0 H LEU C 612 5.144 19.984 -6.154 1.00 0.00 H new ATOM 0 HA LEU C 612 7.240 20.750 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU C 612 6.952 18.673 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.469 18.957 -5.628 1.00 0.00 H new ATOM 0 HG LEU C 612 6.047 18.436 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU C 612 6.320 15.998 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU C 612 5.801 16.737 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU C 612 7.495 16.238 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU C 612 7.719 17.267 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU C 612 8.964 17.594 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU C 612 8.202 18.943 -2.896 1.00 0.00 H new ATOM 2120 N GLN C 613 7.296 21.414 -7.490 1.00 0.00 N ATOM 2121 CA GLN C 613 7.924 22.241 -8.511 1.00 0.00 C ATOM 2122 C GLN C 613 7.855 23.720 -8.136 1.00 0.00 C ATOM 2123 O GLN C 613 8.619 24.535 -8.652 1.00 0.00 O ATOM 2124 CB GLN C 613 7.242 22.022 -9.865 1.00 0.00 C ATOM 2125 CG GLN C 613 7.386 20.603 -10.415 1.00 0.00 C ATOM 2126 CD GLN C 613 8.402 20.507 -11.538 1.00 0.00 C ATOM 2127 OE1 GLN C 613 8.065 20.149 -12.666 1.00 0.00 O ATOM 2128 NE2 GLN C 613 9.651 20.828 -11.232 1.00 0.00 N ATOM 0 H GLN C 613 6.494 20.876 -7.819 1.00 0.00 H new ATOM 0 HA GLN C 613 8.972 21.948 -8.582 1.00 0.00 H new ATOM 0 HB2 GLN C 613 6.182 22.256 -9.768 1.00 0.00 H new ATOM 0 HB3 GLN C 613 7.659 22.724 -10.587 1.00 0.00 H new ATOM 0 HG2 GLN C 613 7.680 19.933 -9.607 1.00 0.00 H new ATOM 0 HG3 GLN C 613 6.417 20.259 -10.777 1.00 0.00 H new ATOM 0 HE21 GLN C 613 9.885 21.120 -10.283 1.00 0.00 H new ATOM 0 HE22 GLN C 613 10.378 20.783 -11.946 1.00 0.00 H new