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 Set 1.1: C 609 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: C 613 GLN : amide:sc= -0.966 K(o=-0.97,f=-1.7!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 14 GLN : amide:sc= -0.822 K(o=-0.82,f=-1.3) USER MOD Single : A 16 TYR OH : rot 19:sc= 0.492 USER MOD Single : A 17 THR OG1 : rot 81:sc= 0.847 USER MOD Single : A 23 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.15) USER MOD Single : A 24 GLN : amide:sc= -1.85 X(o=-1.8,f=-2.2) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.657 USER MOD Single : A 37 THR OG1 : rot -64:sc= 0.959 USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.62 USER MOD Single : B 14 GLN : amide:sc= -4.77! C(o=-4.8!,f=-8.3!) USER MOD Single : B 16 TYR OH : rot 145:sc= 0.0166 USER MOD Single : B 17 THR OG1 : rot -90:sc= 0.667 USER MOD Single : B 23 GLN : amide:sc= -0.265 K(o=-0.27,f=-1.5!) USER MOD Single : B 24 GLN : amide:sc= 0.485 K(o=0.48,f=-5.1!) USER MOD Single : B 35 TYR OH : rot 180:sc= -0.0165 USER MOD Single : B 37 THR OG1 : rot -18:sc= 0.245 USER MOD Single : C 595 LYS NZ :NH3+ 137:sc= 0.0654 (180deg=0) USER MOD Single : C 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 602 ASN : amide:sc= -3.95 X(o=-3.9,f=-3.5!) USER MOD Single : C 605 LYS NZ :NH3+ -166:sc= -1.43 (180deg=-1.68) USER MOD Single : C 607 GLN :FLIP amide:sc= -0.388 F(o=-1.2,f=-0.39) USER MOD Single : C 610 THR OG1 : rot 71:sc= 0.77 USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -18.377 7.372 -8.654 1.00 0.00 N ATOM 121 CA GLN A 4 -17.897 8.744 -8.820 1.00 0.00 C ATOM 122 C GLN A 4 -16.696 9.046 -7.925 1.00 0.00 C ATOM 123 O GLN A 4 -16.770 8.873 -6.710 1.00 0.00 O ATOM 124 CB GLN A 4 -19.026 9.734 -8.515 1.00 0.00 C ATOM 125 CG GLN A 4 -19.601 9.587 -7.115 1.00 0.00 C ATOM 126 CD GLN A 4 -20.912 10.330 -6.941 1.00 0.00 C ATOM 127 OE1 GLN A 4 -21.980 9.811 -7.266 1.00 0.00 O ATOM 128 NE2 GLN A 4 -20.839 11.551 -6.425 1.00 0.00 N ATOM 0 HA GLN A 4 -17.575 8.852 -9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.651 10.750 -8.640 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.825 9.597 -9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.756 8.530 -6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.878 9.958 -6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.933 11.943 -6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -21.689 12.097 -6.284 1.00 0.00 H new ATOM 137 N ILE A 5 -15.600 9.514 -8.521 1.00 0.00 N ATOM 138 CA ILE A 5 -14.405 9.854 -7.746 1.00 0.00 C ATOM 139 C ILE A 5 -14.784 10.749 -6.559 1.00 0.00 C ATOM 140 O ILE A 5 -15.133 11.914 -6.749 1.00 0.00 O ATOM 141 CB ILE A 5 -13.349 10.579 -8.615 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.906 9.689 -9.782 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.145 10.980 -7.770 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.405 8.322 -9.358 1.00 0.00 C ATOM 0 H ILE A 5 -15.513 9.665 -9.526 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.972 8.921 -7.385 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.804 11.482 -9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.744 9.561 -10.467 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.117 10.198 -10.335 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.413 11.488 -8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.467 11.650 -6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.693 10.089 -7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.111 7.753 -10.240 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.546 8.438 -8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.198 7.791 -8.831 1.00 0.00 H new ATOM 156 N PRO A 6 -14.746 10.220 -5.315 1.00 0.00 N ATOM 157 CA PRO A 6 -15.114 10.997 -4.125 1.00 0.00 C ATOM 158 C PRO A 6 -14.367 12.329 -4.030 1.00 0.00 C ATOM 159 O PRO A 6 -13.351 12.523 -4.698 1.00 0.00 O ATOM 160 CB PRO A 6 -14.721 10.079 -2.960 1.00 0.00 C ATOM 161 CG PRO A 6 -14.776 8.706 -3.527 1.00 0.00 C ATOM 162 CD PRO A 6 -14.364 8.834 -4.969 1.00 0.00 C ATOM 0 HA PRO A 6 -16.169 11.270 -4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.724 10.315 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.407 10.189 -2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.107 8.035 -2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.780 8.290 -3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.294 8.669 -5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.877 8.107 -5.599 1.00 0.00 H new ATOM 170 N PRO A 7 -14.849 13.263 -3.183 1.00 0.00 N ATOM 171 CA PRO A 7 -14.218 14.558 -2.992 1.00 0.00 C ATOM 172 C PRO A 7 -13.240 14.533 -1.820 1.00 0.00 C ATOM 173 O PRO A 7 -13.434 13.785 -0.861 1.00 0.00 O ATOM 174 CB PRO A 7 -15.416 15.460 -2.694 1.00 0.00 C ATOM 175 CG PRO A 7 -16.408 14.574 -1.997 1.00 0.00 C ATOM 176 CD PRO A 7 -16.043 13.136 -2.325 1.00 0.00 C ATOM 0 HA PRO A 7 -13.625 14.884 -3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.129 16.302 -2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.834 15.876 -3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -16.381 14.741 -0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -17.422 14.798 -2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -15.829 12.562 -1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.855 12.625 -2.842 1.00 0.00 H new ATOM 184 N GLY A 8 -12.187 15.340 -1.899 1.00 0.00 N ATOM 185 CA GLY A 8 -11.201 15.375 -0.830 1.00 0.00 C ATOM 186 C GLY A 8 -10.142 14.295 -0.977 1.00 0.00 C ATOM 187 O GLY A 8 -9.059 14.399 -0.399 1.00 0.00 O ATOM 0 H GLY A 8 -11.998 15.968 -2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.719 16.352 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.706 15.256 0.129 1.00 0.00 H new ATOM 191 N LEU A 9 -10.454 13.254 -1.748 1.00 0.00 N ATOM 192 CA LEU A 9 -9.526 12.147 -1.967 1.00 0.00 C ATOM 193 C LEU A 9 -8.142 12.658 -2.360 1.00 0.00 C ATOM 194 O LEU A 9 -7.153 12.397 -1.675 1.00 0.00 O ATOM 195 CB LEU A 9 -10.064 11.200 -3.057 1.00 0.00 C ATOM 196 CG LEU A 9 -9.896 9.703 -2.759 1.00 0.00 C ATOM 197 CD1 LEU A 9 -11.035 9.197 -1.881 1.00 0.00 C ATOM 198 CD2 LEU A 9 -9.814 8.899 -4.052 1.00 0.00 C ATOM 0 H LEU A 9 -11.346 13.155 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.436 11.598 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.123 11.408 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.558 11.427 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.961 9.568 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.896 8.134 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.039 9.745 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.985 9.349 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.695 7.842 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.728 9.042 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.960 9.238 -4.638 1.00 0.00 H new ATOM 210 N THR A 10 -8.084 13.375 -3.474 1.00 0.00 N ATOM 211 CA THR A 10 -6.829 13.917 -3.976 1.00 0.00 C ATOM 212 C THR A 10 -6.045 14.637 -2.878 1.00 0.00 C ATOM 213 O THR A 10 -4.843 14.440 -2.725 1.00 0.00 O ATOM 214 CB THR A 10 -7.096 14.871 -5.148 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.302 15.585 -4.945 1.00 0.00 O ATOM 216 CG2 THR A 10 -7.202 14.169 -6.486 1.00 0.00 C ATOM 0 H THR A 10 -8.896 13.596 -4.050 1.00 0.00 H new ATOM 0 HA THR A 10 -6.222 13.081 -4.323 1.00 0.00 H new ATOM 0 HB THR A 10 -6.236 15.540 -5.175 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.455 16.190 -5.701 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.391 14.904 -7.268 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.269 13.646 -6.697 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.022 13.451 -6.456 1.00 0.00 H new ATOM 224 N GLU A 11 -6.738 15.465 -2.109 1.00 0.00 N ATOM 225 CA GLU A 11 -6.107 16.208 -1.027 1.00 0.00 C ATOM 226 C GLU A 11 -5.430 15.268 -0.029 1.00 0.00 C ATOM 227 O GLU A 11 -4.385 15.598 0.532 1.00 0.00 O ATOM 228 CB GLU A 11 -7.144 17.076 -0.309 1.00 0.00 C ATOM 229 CG GLU A 11 -6.532 18.168 0.551 1.00 0.00 C ATOM 230 CD GLU A 11 -5.848 17.621 1.788 1.00 0.00 C ATOM 231 OE1 GLU A 11 -6.556 17.109 2.681 1.00 0.00 O ATOM 232 OE2 GLU A 11 -4.604 17.705 1.865 1.00 0.00 O ATOM 0 H GLU A 11 -7.737 15.639 -2.214 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.340 16.849 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.799 17.533 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.768 16.439 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.809 18.729 -0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.311 18.869 0.851 1.00 0.00 H new ATOM 239 N LEU A 12 -6.037 14.105 0.205 1.00 0.00 N ATOM 240 CA LEU A 12 -5.494 13.134 1.154 1.00 0.00 C ATOM 241 C LEU A 12 -4.272 12.401 0.596 1.00 0.00 C ATOM 242 O LEU A 12 -3.281 12.209 1.301 1.00 0.00 O ATOM 243 CB LEU A 12 -6.575 12.119 1.561 1.00 0.00 C ATOM 244 CG LEU A 12 -7.396 12.490 2.804 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.521 12.509 4.052 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.090 13.833 2.611 1.00 0.00 C ATOM 0 H LEU A 12 -6.903 13.813 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.170 13.692 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.258 11.986 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.096 11.156 1.738 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.161 11.726 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.128 12.775 4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.083 11.522 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.725 13.244 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.666 14.076 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.342 14.607 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.758 13.777 1.752 1.00 0.00 H new ATOM 258 N LEU A 13 -4.351 11.975 -0.666 1.00 0.00 N ATOM 259 CA LEU A 13 -3.254 11.248 -1.291 1.00 0.00 C ATOM 260 C LEU A 13 -2.073 12.169 -1.580 1.00 0.00 C ATOM 261 O LEU A 13 -0.918 11.753 -1.501 1.00 0.00 O ATOM 262 CB LEU A 13 -3.727 10.584 -2.588 1.00 0.00 C ATOM 263 CG LEU A 13 -4.986 9.714 -2.464 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.667 9.559 -3.816 1.00 0.00 C ATOM 265 CD2 LEU A 13 -4.646 8.349 -1.883 1.00 0.00 C ATOM 0 H LEU A 13 -5.160 12.122 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.924 10.479 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.916 11.363 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.917 9.967 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.676 10.214 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.557 8.939 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.953 10.541 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.980 9.086 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.554 7.751 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.933 7.844 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.207 8.474 -0.893 1.00 0.00 H new ATOM 277 N GLN A 14 -2.372 13.417 -1.929 1.00 0.00 N ATOM 278 CA GLN A 14 -1.332 14.387 -2.249 1.00 0.00 C ATOM 279 C GLN A 14 -0.396 14.600 -1.067 1.00 0.00 C ATOM 280 O GLN A 14 0.821 14.681 -1.238 1.00 0.00 O ATOM 281 CB GLN A 14 -1.950 15.722 -2.684 1.00 0.00 C ATOM 282 CG GLN A 14 -1.042 16.553 -3.591 1.00 0.00 C ATOM 283 CD GLN A 14 -0.889 17.990 -3.124 1.00 0.00 C ATOM 284 OE1 GLN A 14 -0.126 18.275 -2.202 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.616 18.903 -3.759 1.00 0.00 N ATOM 0 H GLN A 14 -3.323 13.779 -1.997 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.748 13.986 -3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.887 15.526 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.194 16.306 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.058 16.085 -3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.446 16.547 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.236 18.623 -4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.554 19.884 -3.487 1.00 0.00 H new ATOM 294 N GLY A 15 -0.959 14.675 0.134 1.00 0.00 N ATOM 295 CA GLY A 15 -0.142 14.860 1.316 1.00 0.00 C ATOM 296 C GLY A 15 0.920 13.786 1.425 1.00 0.00 C ATOM 297 O GLY A 15 2.088 14.072 1.680 1.00 0.00 O ATOM 0 H GLY A 15 -1.962 14.611 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.332 15.841 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.774 14.841 2.204 1.00 0.00 H new ATOM 301 N TYR A 16 0.507 12.543 1.206 1.00 0.00 N ATOM 302 CA TYR A 16 1.429 11.416 1.253 1.00 0.00 C ATOM 303 C TYR A 16 2.373 11.469 0.053 1.00 0.00 C ATOM 304 O TYR A 16 3.586 11.324 0.191 1.00 0.00 O ATOM 305 CB TYR A 16 0.643 10.099 1.265 1.00 0.00 C ATOM 306 CG TYR A 16 1.500 8.856 1.132 1.00 0.00 C ATOM 307 CD1 TYR A 16 2.187 8.341 2.225 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.610 8.191 -0.083 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.960 7.200 2.110 1.00 0.00 C ATOM 310 CE2 TYR A 16 2.382 7.050 -0.207 1.00 0.00 C ATOM 311 CZ TYR A 16 3.053 6.559 0.894 1.00 0.00 C ATOM 312 OH TYR A 16 3.821 5.425 0.776 1.00 0.00 O ATOM 0 H TYR A 16 -0.459 12.291 0.995 1.00 0.00 H new ATOM 0 HA TYR A 16 2.023 11.473 2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.076 10.037 2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.081 10.115 0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.116 8.840 3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.083 8.572 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.488 6.813 2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.459 6.547 -1.159 1.00 0.00 H new ATOM 0 HH TYR A 16 3.980 5.043 1.665 1.00 0.00 H new ATOM 322 N THR A 17 1.790 11.673 -1.126 1.00 0.00 N ATOM 323 CA THR A 17 2.548 11.742 -2.374 1.00 0.00 C ATOM 324 C THR A 17 3.651 12.798 -2.319 1.00 0.00 C ATOM 325 O THR A 17 4.825 12.500 -2.535 1.00 0.00 O ATOM 326 CB THR A 17 1.604 12.049 -3.542 1.00 0.00 C ATOM 327 OG1 THR A 17 0.441 11.240 -3.478 1.00 0.00 O ATOM 328 CG2 THR A 17 2.231 11.839 -4.909 1.00 0.00 C ATOM 0 H THR A 17 0.784 11.795 -1.244 1.00 0.00 H new ATOM 0 HA THR A 17 3.022 10.772 -2.521 1.00 0.00 H new ATOM 0 HB THR A 17 1.361 13.106 -3.434 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.194 11.629 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.502 12.076 -5.684 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.099 12.490 -5.015 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.543 10.800 -5.010 1.00 0.00 H new ATOM 336 N VAL A 18 3.253 14.041 -2.059 1.00 0.00 N ATOM 337 CA VAL A 18 4.189 15.160 -2.005 1.00 0.00 C ATOM 338 C VAL A 18 5.265 14.972 -0.934 1.00 0.00 C ATOM 339 O VAL A 18 6.401 15.412 -1.111 1.00 0.00 O ATOM 340 CB VAL A 18 3.443 16.494 -1.759 1.00 0.00 C ATOM 341 CG1 VAL A 18 3.081 16.664 -0.286 1.00 0.00 C ATOM 342 CG2 VAL A 18 4.270 17.672 -2.255 1.00 0.00 C ATOM 0 H VAL A 18 2.282 14.299 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 18 4.684 15.193 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 18 2.513 16.466 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.558 17.610 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.435 15.843 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.990 16.660 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.728 18.600 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.222 17.698 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.454 17.563 -3.324 1.00 0.00 H new ATOM 352 N GLU A 19 4.915 14.326 0.174 1.00 0.00 N ATOM 353 CA GLU A 19 5.878 14.106 1.252 1.00 0.00 C ATOM 354 C GLU A 19 6.844 12.977 0.898 1.00 0.00 C ATOM 355 O GLU A 19 8.048 13.088 1.127 1.00 0.00 O ATOM 356 CB GLU A 19 5.154 13.802 2.573 1.00 0.00 C ATOM 357 CG GLU A 19 4.660 15.050 3.312 1.00 0.00 C ATOM 358 CD GLU A 19 4.900 14.986 4.809 1.00 0.00 C ATOM 359 OE1 GLU A 19 4.885 13.868 5.366 1.00 0.00 O ATOM 360 OE2 GLU A 19 5.107 16.055 5.423 1.00 0.00 O ATOM 0 H GLU A 19 3.984 13.949 0.350 1.00 0.00 H new ATOM 0 HA GLU A 19 6.457 15.021 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.303 13.152 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.828 13.248 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.162 15.928 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.594 15.178 3.126 1.00 0.00 H new ATOM 367 N VAL A 20 6.315 11.896 0.334 1.00 0.00 N ATOM 368 CA VAL A 20 7.144 10.759 -0.051 1.00 0.00 C ATOM 369 C VAL A 20 8.275 11.206 -0.975 1.00 0.00 C ATOM 370 O VAL A 20 9.401 10.725 -0.871 1.00 0.00 O ATOM 371 CB VAL A 20 6.303 9.658 -0.744 1.00 0.00 C ATOM 372 CG1 VAL A 20 7.188 8.699 -1.536 1.00 0.00 C ATOM 373 CG2 VAL A 20 5.471 8.897 0.281 1.00 0.00 C ATOM 0 H VAL A 20 5.321 11.783 0.134 1.00 0.00 H new ATOM 0 HA VAL A 20 7.572 10.341 0.860 1.00 0.00 H new ATOM 0 HB VAL A 20 5.628 10.146 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.567 7.939 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.731 9.253 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.899 8.219 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.887 8.128 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.132 8.430 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.799 9.588 0.789 1.00 0.00 H new ATOM 383 N LEU A 21 7.962 12.127 -1.879 1.00 0.00 N ATOM 384 CA LEU A 21 8.948 12.644 -2.823 1.00 0.00 C ATOM 385 C LEU A 21 9.919 13.598 -2.126 1.00 0.00 C ATOM 386 O LEU A 21 11.121 13.564 -2.375 1.00 0.00 O ATOM 387 CB LEU A 21 8.240 13.360 -3.983 1.00 0.00 C ATOM 388 CG LEU A 21 7.776 12.453 -5.133 1.00 0.00 C ATOM 389 CD1 LEU A 21 7.185 11.153 -4.600 1.00 0.00 C ATOM 390 CD2 LEU A 21 6.766 13.182 -6.010 1.00 0.00 C ATOM 0 H LEU A 21 7.031 12.532 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 21 9.520 11.805 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.373 13.888 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.915 14.115 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 21 8.646 12.202 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.865 10.530 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.939 10.622 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.328 11.377 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.447 12.526 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.901 13.465 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.226 14.077 -6.428 1.00 0.00 H new ATOM 402 N ARG A 22 9.388 14.458 -1.265 1.00 0.00 N ATOM 403 CA ARG A 22 10.203 15.430 -0.551 1.00 0.00 C ATOM 404 C ARG A 22 11.171 14.765 0.431 1.00 0.00 C ATOM 405 O ARG A 22 12.186 15.357 0.801 1.00 0.00 O ATOM 406 CB ARG A 22 9.288 16.404 0.194 1.00 0.00 C ATOM 407 CG ARG A 22 9.917 17.763 0.476 1.00 0.00 C ATOM 408 CD ARG A 22 8.858 18.847 0.547 1.00 0.00 C ATOM 409 NE ARG A 22 7.789 18.499 1.480 1.00 0.00 N ATOM 410 CZ ARG A 22 6.835 19.343 1.864 1.00 0.00 C ATOM 411 NH1 ARG A 22 6.804 20.583 1.392 1.00 0.00 N ATOM 412 NH2 ARG A 22 5.905 18.943 2.721 1.00 0.00 N ATOM 0 H ARG A 22 8.393 14.501 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 22 10.807 15.965 -1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.380 16.551 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.988 15.952 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.468 17.725 1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.637 18.004 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.318 19.786 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.436 19.009 -0.445 1.00 0.00 H new ATOM 0 HE ARG A 22 7.773 17.552 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.515 20.895 0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.069 21.224 1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.922 17.990 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.173 19.588 3.017 1.00 0.00 H new ATOM 426 N GLN A 23 10.851 13.544 0.864 1.00 0.00 N ATOM 427 CA GLN A 23 11.694 12.821 1.821 1.00 0.00 C ATOM 428 C GLN A 23 12.341 11.590 1.192 1.00 0.00 C ATOM 429 O GLN A 23 13.527 11.334 1.395 1.00 0.00 O ATOM 430 CB GLN A 23 10.867 12.403 3.039 1.00 0.00 C ATOM 431 CG GLN A 23 11.708 11.920 4.209 1.00 0.00 C ATOM 432 CD GLN A 23 12.602 13.008 4.773 1.00 0.00 C ATOM 433 OE1 GLN A 23 13.781 13.098 4.431 1.00 0.00 O ATOM 434 NE2 GLN A 23 12.042 13.843 5.642 1.00 0.00 N ATOM 0 H GLN A 23 10.017 13.036 0.569 1.00 0.00 H new ATOM 0 HA GLN A 23 12.491 13.497 2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.260 13.248 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.179 11.610 2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.051 11.551 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.323 11.080 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.061 13.731 5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.593 14.596 6.054 1.00 0.00 H new ATOM 443 N GLN A 24 11.554 10.823 0.445 1.00 0.00 N ATOM 444 CA GLN A 24 12.052 9.610 -0.195 1.00 0.00 C ATOM 445 C GLN A 24 12.488 8.595 0.867 1.00 0.00 C ATOM 446 O GLN A 24 13.677 8.462 1.156 1.00 0.00 O ATOM 447 CB GLN A 24 13.226 9.926 -1.132 1.00 0.00 C ATOM 448 CG GLN A 24 12.981 11.117 -2.050 1.00 0.00 C ATOM 449 CD GLN A 24 12.074 10.784 -3.221 1.00 0.00 C ATOM 450 OE1 GLN A 24 11.605 9.653 -3.355 1.00 0.00 O ATOM 451 NE2 GLN A 24 11.821 11.770 -4.078 1.00 0.00 N ATOM 0 H GLN A 24 10.569 11.019 0.268 1.00 0.00 H new ATOM 0 HA GLN A 24 11.245 9.183 -0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.115 10.119 -0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.438 9.048 -1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.538 11.929 -1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.936 11.480 -2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.230 12.692 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.218 11.603 -4.883 1.00 0.00 H new ATOM 460 N PRO A 25 11.524 7.876 1.474 1.00 0.00 N ATOM 461 CA PRO A 25 11.808 6.889 2.516 1.00 0.00 C ATOM 462 C PRO A 25 12.182 5.522 1.944 1.00 0.00 C ATOM 463 O PRO A 25 12.089 5.303 0.736 1.00 0.00 O ATOM 464 CB PRO A 25 10.485 6.826 3.278 1.00 0.00 C ATOM 465 CG PRO A 25 9.446 7.076 2.237 1.00 0.00 C ATOM 466 CD PRO A 25 10.078 7.979 1.203 1.00 0.00 C ATOM 0 HA PRO A 25 12.664 7.163 3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.346 5.855 3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.445 7.576 4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.118 6.140 1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.565 7.545 2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.838 7.655 0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.726 9.006 1.301 1.00 0.00 H new ATOM 474 N PRO A 26 12.617 4.577 2.805 1.00 0.00 N ATOM 475 CA PRO A 26 13.006 3.235 2.369 1.00 0.00 C ATOM 476 C PRO A 26 11.801 2.364 2.020 1.00 0.00 C ATOM 477 O PRO A 26 11.886 1.498 1.149 1.00 0.00 O ATOM 478 CB PRO A 26 13.760 2.653 3.585 1.00 0.00 C ATOM 479 CG PRO A 26 13.893 3.779 4.562 1.00 0.00 C ATOM 480 CD PRO A 26 12.772 4.729 4.259 1.00 0.00 C ATOM 0 HA PRO A 26 13.607 3.267 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.211 1.819 4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.738 2.272 3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.828 3.415 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.860 4.272 4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.860 4.466 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.021 5.753 4.537 1.00 0.00 H new ATOM 488 N ASP A 27 10.682 2.593 2.708 1.00 0.00 N ATOM 489 CA ASP A 27 9.462 1.821 2.472 1.00 0.00 C ATOM 490 C ASP A 27 8.255 2.736 2.347 1.00 0.00 C ATOM 491 O ASP A 27 8.049 3.630 3.167 1.00 0.00 O ATOM 492 CB ASP A 27 9.246 0.815 3.604 1.00 0.00 C ATOM 493 CG ASP A 27 8.040 -0.075 3.369 1.00 0.00 C ATOM 494 OD1 ASP A 27 6.956 0.462 3.059 1.00 0.00 O ATOM 495 OD2 ASP A 27 8.180 -1.310 3.499 1.00 0.00 O ATOM 0 H ASP A 27 10.595 3.306 3.432 1.00 0.00 H new ATOM 0 HA ASP A 27 9.578 1.280 1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.136 0.195 3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.119 1.352 4.544 1.00 0.00 H new ATOM 500 N LEU A 28 7.455 2.503 1.312 1.00 0.00 N ATOM 501 CA LEU A 28 6.263 3.300 1.074 1.00 0.00 C ATOM 502 C LEU A 28 5.145 2.883 2.026 1.00 0.00 C ATOM 503 O LEU A 28 4.611 3.708 2.766 1.00 0.00 O ATOM 504 CB LEU A 28 5.801 3.155 -0.378 1.00 0.00 C ATOM 505 CG LEU A 28 6.782 3.660 -1.445 1.00 0.00 C ATOM 506 CD1 LEU A 28 7.202 5.097 -1.158 1.00 0.00 C ATOM 507 CD2 LEU A 28 8.005 2.750 -1.544 1.00 0.00 C ATOM 0 H LEU A 28 7.613 1.766 0.625 1.00 0.00 H new ATOM 0 HA LEU A 28 6.508 4.346 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.595 2.102 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.859 3.691 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 28 6.269 3.639 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.897 5.433 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.322 5.740 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.688 5.146 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.682 3.132 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.519 2.725 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.688 1.742 -1.812 1.00 0.00 H new ATOM 519 N VAL A 29 4.799 1.595 2.008 1.00 0.00 N ATOM 520 CA VAL A 29 3.747 1.078 2.881 1.00 0.00 C ATOM 521 C VAL A 29 3.969 1.533 4.320 1.00 0.00 C ATOM 522 O VAL A 29 3.020 1.862 5.032 1.00 0.00 O ATOM 523 CB VAL A 29 3.677 -0.466 2.850 1.00 0.00 C ATOM 524 CG1 VAL A 29 2.486 -0.963 3.660 1.00 0.00 C ATOM 525 CG2 VAL A 29 3.611 -0.979 1.413 1.00 0.00 C ATOM 0 H VAL A 29 5.229 0.896 1.403 1.00 0.00 H new ATOM 0 HA VAL A 29 2.804 1.477 2.506 1.00 0.00 H new ATOM 0 HB VAL A 29 4.587 -0.859 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.452 -2.052 3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.587 -0.634 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.565 -0.559 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.562 -2.068 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.723 -0.578 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.500 -0.658 0.871 1.00 0.00 H new ATOM 535 N GLU A 30 5.230 1.555 4.736 1.00 0.00 N ATOM 536 CA GLU A 30 5.587 1.977 6.085 1.00 0.00 C ATOM 537 C GLU A 30 5.330 3.471 6.263 1.00 0.00 C ATOM 538 O GLU A 30 4.598 3.884 7.162 1.00 0.00 O ATOM 539 CB GLU A 30 7.057 1.653 6.368 1.00 0.00 C ATOM 540 CG GLU A 30 7.377 1.500 7.846 1.00 0.00 C ATOM 541 CD GLU A 30 8.848 1.234 8.097 1.00 0.00 C ATOM 542 OE1 GLU A 30 9.663 2.153 7.873 1.00 0.00 O ATOM 543 OE2 GLU A 30 9.186 0.106 8.516 1.00 0.00 O ATOM 0 H GLU A 30 6.024 1.285 4.156 1.00 0.00 H new ATOM 0 HA GLU A 30 4.965 1.433 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.322 0.731 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.681 2.443 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.080 2.406 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.787 0.682 8.259 1.00 0.00 H new ATOM 550 N PHE A 31 5.939 4.275 5.397 1.00 0.00 N ATOM 551 CA PHE A 31 5.780 5.723 5.451 1.00 0.00 C ATOM 552 C PHE A 31 4.308 6.134 5.435 1.00 0.00 C ATOM 553 O PHE A 31 3.953 7.212 5.912 1.00 0.00 O ATOM 554 CB PHE A 31 6.517 6.375 4.282 1.00 0.00 C ATOM 555 CG PHE A 31 6.614 7.871 4.399 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.483 8.451 5.308 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.837 8.694 3.601 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.575 9.826 5.418 1.00 0.00 C ATOM 559 CE2 PHE A 31 5.926 10.069 3.706 1.00 0.00 C ATOM 560 CZ PHE A 31 6.795 10.636 4.617 1.00 0.00 C ATOM 0 H PHE A 31 6.548 3.947 4.648 1.00 0.00 H new ATOM 0 HA PHE A 31 6.210 6.068 6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.521 5.957 4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.005 6.123 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.095 7.822 5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.154 8.256 2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.257 10.266 6.130 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.316 10.700 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.864 11.710 4.703 1.00 0.00 H new ATOM 570 N ALA A 32 3.455 5.279 4.877 1.00 0.00 N ATOM 571 CA ALA A 32 2.026 5.569 4.797 1.00 0.00 C ATOM 572 C ALA A 32 1.348 5.445 6.155 1.00 0.00 C ATOM 573 O ALA A 32 0.585 6.324 6.555 1.00 0.00 O ATOM 574 CB ALA A 32 1.365 4.661 3.780 1.00 0.00 C ATOM 0 H ALA A 32 3.727 4.382 4.475 1.00 0.00 H new ATOM 0 HA ALA A 32 1.912 6.603 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.300 4.886 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.817 4.821 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.502 3.621 4.077 1.00 0.00 H new ATOM 580 N VAL A 33 1.653 4.378 6.882 1.00 0.00 N ATOM 581 CA VAL A 33 1.080 4.198 8.216 1.00 0.00 C ATOM 582 C VAL A 33 1.670 5.267 9.124 1.00 0.00 C ATOM 583 O VAL A 33 0.984 5.794 9.996 1.00 0.00 O ATOM 584 CB VAL A 33 1.355 2.785 8.821 1.00 0.00 C ATOM 585 CG1 VAL A 33 0.078 2.188 9.398 1.00 0.00 C ATOM 586 CG2 VAL A 33 1.959 1.836 7.793 1.00 0.00 C ATOM 0 H VAL A 33 2.282 3.634 6.581 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.003 4.288 8.134 1.00 0.00 H new ATOM 0 HB VAL A 33 2.081 2.914 9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.292 1.204 9.814 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.305 2.839 10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.668 2.094 8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.135 0.864 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.271 1.721 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.904 2.243 7.433 1.00 0.00 H new ATOM 596 N GLU A 34 2.930 5.601 8.905 1.00 0.00 N ATOM 597 CA GLU A 34 3.583 6.628 9.704 1.00 0.00 C ATOM 598 C GLU A 34 2.955 7.994 9.430 1.00 0.00 C ATOM 599 O GLU A 34 2.822 8.820 10.330 1.00 0.00 O ATOM 600 CB GLU A 34 5.081 6.671 9.396 1.00 0.00 C ATOM 601 CG GLU A 34 5.820 5.400 9.785 1.00 0.00 C ATOM 602 CD GLU A 34 5.954 5.241 11.287 1.00 0.00 C ATOM 603 OE1 GLU A 34 5.014 4.711 11.915 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.002 5.644 11.836 1.00 0.00 O ATOM 0 H GLU A 34 3.519 5.181 8.186 1.00 0.00 H new ATOM 0 HA GLU A 34 3.447 6.383 10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.219 6.849 8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.527 7.516 9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.292 4.538 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.812 5.408 9.334 1.00 0.00 H new ATOM 611 N TYR A 35 2.578 8.221 8.173 1.00 0.00 N ATOM 612 CA TYR A 35 1.966 9.484 7.762 1.00 0.00 C ATOM 613 C TYR A 35 0.482 9.567 8.133 1.00 0.00 C ATOM 614 O TYR A 35 0.029 10.574 8.677 1.00 0.00 O ATOM 615 CB TYR A 35 2.125 9.682 6.253 1.00 0.00 C ATOM 616 CG TYR A 35 1.508 10.971 5.748 1.00 0.00 C ATOM 617 CD1 TYR A 35 0.134 11.081 5.572 1.00 0.00 C ATOM 618 CD2 TYR A 35 2.296 12.080 5.457 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.437 12.255 5.123 1.00 0.00 C ATOM 620 CE2 TYR A 35 1.731 13.259 5.010 1.00 0.00 C ATOM 621 CZ TYR A 35 0.363 13.341 4.846 1.00 0.00 C ATOM 622 OH TYR A 35 -0.205 14.515 4.408 1.00 0.00 O ATOM 0 H TYR A 35 2.686 7.544 7.418 1.00 0.00 H new ATOM 0 HA TYR A 35 2.486 10.276 8.301 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.186 9.673 6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.667 8.840 5.733 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.498 10.233 5.790 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.367 12.018 5.583 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.507 12.321 4.990 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.356 14.112 4.790 1.00 0.00 H new ATOM 0 HH TYR A 35 0.497 15.182 4.259 1.00 0.00 H new ATOM 632 N PHE A 36 -0.278 8.522 7.803 1.00 0.00 N ATOM 633 CA PHE A 36 -1.715 8.504 8.066 1.00 0.00 C ATOM 634 C PHE A 36 -2.038 8.425 9.561 1.00 0.00 C ATOM 635 O PHE A 36 -2.872 9.183 10.053 1.00 0.00 O ATOM 636 CB PHE A 36 -2.375 7.340 7.311 1.00 0.00 C ATOM 637 CG PHE A 36 -2.787 7.690 5.904 1.00 0.00 C ATOM 638 CD1 PHE A 36 -3.950 8.409 5.673 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.019 7.301 4.816 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.337 8.735 4.387 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.402 7.624 3.528 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.562 8.342 3.313 1.00 0.00 C ATOM 0 H PHE A 36 0.078 7.678 7.354 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.122 9.449 7.705 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.682 6.499 7.279 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.253 7.009 7.866 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.561 8.718 6.508 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.111 6.739 4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.245 9.297 4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.795 7.315 2.690 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.863 8.596 2.307 1.00 0.00 H new ATOM 652 N THR A 37 -1.396 7.509 10.281 1.00 0.00 N ATOM 653 CA THR A 37 -1.659 7.362 11.712 1.00 0.00 C ATOM 654 C THR A 37 -1.473 8.688 12.442 1.00 0.00 C ATOM 655 O THR A 37 -2.331 9.101 13.221 1.00 0.00 O ATOM 656 CB THR A 37 -0.756 6.295 12.334 1.00 0.00 C ATOM 657 OG1 THR A 37 0.608 6.658 12.217 1.00 0.00 O ATOM 658 CG2 THR A 37 -0.926 4.919 11.720 1.00 0.00 C ATOM 0 H THR A 37 -0.700 6.865 9.905 1.00 0.00 H new ATOM 0 HA THR A 37 -2.696 7.045 11.821 1.00 0.00 H new ATOM 0 HB THR A 37 -1.061 6.241 13.379 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.858 6.691 11.270 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.254 4.216 12.212 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.956 4.587 11.850 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.690 4.963 10.657 1.00 0.00 H new ATOM 666 N ARG A 38 -0.353 9.356 12.184 1.00 0.00 N ATOM 667 CA ARG A 38 -0.066 10.639 12.821 1.00 0.00 C ATOM 668 C ARG A 38 -1.257 11.587 12.688 1.00 0.00 C ATOM 669 O ARG A 38 -1.780 12.087 13.683 1.00 0.00 O ATOM 670 CB ARG A 38 1.186 11.274 12.204 1.00 0.00 C ATOM 671 CG ARG A 38 2.488 10.680 12.719 1.00 0.00 C ATOM 672 CD ARG A 38 3.696 11.304 12.037 1.00 0.00 C ATOM 673 NE ARG A 38 4.949 10.933 12.692 1.00 0.00 N ATOM 674 CZ ARG A 38 5.360 11.438 13.854 1.00 0.00 C ATOM 675 NH1 ARG A 38 4.623 12.335 14.498 1.00 0.00 N ATOM 676 NH2 ARG A 38 6.516 11.044 14.376 1.00 0.00 N ATOM 0 H ARG A 38 0.369 9.032 11.541 1.00 0.00 H new ATOM 0 HA ARG A 38 0.117 10.460 13.881 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.146 11.157 11.121 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.179 12.344 12.409 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.558 10.833 13.796 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.490 9.603 12.550 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.726 10.989 10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.593 12.389 12.040 1.00 0.00 H new ATOM 0 HE ARG A 38 5.545 10.245 12.231 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.734 12.643 14.103 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.946 12.716 15.387 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.088 10.355 13.887 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.832 11.430 15.266 1.00 0.00 H new ATOM 690 N LEU A 39 -1.686 11.820 11.449 1.00 0.00 N ATOM 691 CA LEU A 39 -2.820 12.698 11.185 1.00 0.00 C ATOM 692 C LEU A 39 -4.026 12.282 12.027 1.00 0.00 C ATOM 693 O LEU A 39 -4.703 13.122 12.620 1.00 0.00 O ATOM 694 CB LEU A 39 -3.179 12.680 9.687 1.00 0.00 C ATOM 695 CG LEU A 39 -3.338 14.064 9.046 1.00 0.00 C ATOM 696 CD1 LEU A 39 -1.978 14.666 8.719 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.203 13.987 7.795 1.00 0.00 C ATOM 0 H LEU A 39 -1.265 11.413 10.614 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.540 13.715 11.461 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.405 12.133 9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.109 12.126 9.557 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.837 14.713 9.766 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.114 15.648 8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.395 14.767 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.450 14.015 8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.301 14.981 7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.738 13.317 7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.190 13.607 8.058 1.00 0.00 H new ATOM 709 N ARG A 40 -4.282 10.977 12.077 1.00 0.00 N ATOM 710 CA ARG A 40 -5.398 10.443 12.850 1.00 0.00 C ATOM 711 C ARG A 40 -5.174 10.657 14.343 1.00 0.00 C ATOM 712 O ARG A 40 -6.105 10.970 15.084 1.00 0.00 O ATOM 713 CB ARG A 40 -5.584 8.951 12.565 1.00 0.00 C ATOM 714 CG ARG A 40 -6.889 8.377 13.134 1.00 0.00 C ATOM 715 CD ARG A 40 -7.674 7.552 12.111 1.00 0.00 C ATOM 716 NE ARG A 40 -9.112 7.784 12.215 1.00 0.00 N ATOM 717 CZ ARG A 40 -9.872 7.323 13.206 1.00 0.00 C ATOM 718 NH1 ARG A 40 -9.336 6.614 14.192 1.00 0.00 N ATOM 719 NH2 ARG A 40 -11.174 7.580 13.216 1.00 0.00 N ATOM 0 H ARG A 40 -3.731 10.270 11.591 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.299 10.977 12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.565 8.790 11.487 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.741 8.401 12.984 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.659 7.752 13.997 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.515 9.195 13.490 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.337 7.804 11.105 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.465 6.493 12.261 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.562 8.333 11.483 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.335 6.419 14.194 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.925 6.264 14.948 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.591 8.130 12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.758 7.227 13.975 1.00 0.00 H new ATOM 963 N PRO B 7 9.188 3.713 -7.865 1.00 0.00 N ATOM 964 CA PRO B 7 8.472 2.588 -8.458 1.00 0.00 C ATOM 965 C PRO B 7 7.639 1.816 -7.433 1.00 0.00 C ATOM 966 O PRO B 7 8.145 1.406 -6.389 1.00 0.00 O ATOM 967 CB PRO B 7 9.610 1.725 -8.998 1.00 0.00 C ATOM 968 CG PRO B 7 10.743 1.948 -8.046 1.00 0.00 C ATOM 969 CD PRO B 7 10.547 3.324 -7.438 1.00 0.00 C ATOM 0 HA PRO B 7 7.750 2.900 -9.213 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.326 0.673 -9.035 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.882 2.018 -10.012 1.00 0.00 H new ATOM 0 HG2 PRO B 7 10.752 1.182 -7.271 1.00 0.00 H new ATOM 0 HG3 PRO B 7 11.700 1.888 -8.565 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.631 3.296 -6.352 1.00 0.00 H new ATOM 0 HD3 PRO B 7 11.296 4.030 -7.798 1.00 0.00 H new ATOM 977 N GLY B 8 6.356 1.622 -7.748 1.00 0.00 N ATOM 978 CA GLY B 8 5.459 0.897 -6.857 1.00 0.00 C ATOM 979 C GLY B 8 4.457 1.805 -6.171 1.00 0.00 C ATOM 980 O GLY B 8 3.368 1.368 -5.800 1.00 0.00 O ATOM 0 H GLY B 8 5.921 1.956 -8.608 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.924 0.137 -7.426 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.047 0.375 -6.102 1.00 0.00 H new ATOM 984 N LEU B 9 4.824 3.071 -6.003 1.00 0.00 N ATOM 985 CA LEU B 9 3.950 4.049 -5.357 1.00 0.00 C ATOM 986 C LEU B 9 2.571 4.066 -6.018 1.00 0.00 C ATOM 987 O LEU B 9 1.549 4.057 -5.331 1.00 0.00 O ATOM 988 CB LEU B 9 4.594 5.445 -5.417 1.00 0.00 C ATOM 989 CG LEU B 9 4.294 6.364 -4.222 1.00 0.00 C ATOM 990 CD1 LEU B 9 5.345 7.460 -4.114 1.00 0.00 C ATOM 991 CD2 LEU B 9 2.904 6.975 -4.343 1.00 0.00 C ATOM 0 H LEU B 9 5.723 3.447 -6.305 1.00 0.00 H new ATOM 0 HA LEU B 9 3.819 3.764 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.674 5.324 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.259 5.942 -6.328 1.00 0.00 H new ATOM 0 HG LEU B 9 4.325 5.760 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU B 9 5.116 8.101 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU B 9 6.328 7.009 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU B 9 5.345 8.056 -5.027 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.715 7.621 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.843 7.561 -5.260 1.00 0.00 H new ATOM 0 HD23 LEU B 9 2.158 6.180 -4.370 1.00 0.00 H new ATOM 1003 N THR B 10 2.540 4.082 -7.344 1.00 0.00 N ATOM 1004 CA THR B 10 1.271 4.093 -8.066 1.00 0.00 C ATOM 1005 C THR B 10 0.390 2.925 -7.626 1.00 0.00 C ATOM 1006 O THR B 10 -0.783 3.100 -7.304 1.00 0.00 O ATOM 1007 CB THR B 10 1.501 4.028 -9.584 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.696 4.701 -9.936 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.366 4.634 -10.404 1.00 0.00 C ATOM 0 H THR B 10 3.369 4.088 -7.938 1.00 0.00 H new ATOM 0 HA THR B 10 0.763 5.028 -7.830 1.00 0.00 H new ATOM 0 HB THR B 10 1.559 2.965 -9.818 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.828 4.648 -10.906 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.600 4.551 -11.465 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.560 4.099 -10.194 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.247 5.685 -10.139 1.00 0.00 H new ATOM 1017 N GLU B 11 0.979 1.732 -7.608 1.00 0.00 N ATOM 1018 CA GLU B 11 0.267 0.525 -7.207 1.00 0.00 C ATOM 1019 C GLU B 11 -0.282 0.656 -5.788 1.00 0.00 C ATOM 1020 O GLU B 11 -1.303 0.056 -5.450 1.00 0.00 O ATOM 1021 CB GLU B 11 1.197 -0.688 -7.290 1.00 0.00 C ATOM 1022 CG GLU B 11 0.483 -2.018 -7.102 1.00 0.00 C ATOM 1023 CD GLU B 11 1.445 -3.177 -6.926 1.00 0.00 C ATOM 1024 OE1 GLU B 11 2.628 -3.029 -7.299 1.00 0.00 O ATOM 1025 OE2 GLU B 11 1.017 -4.233 -6.414 1.00 0.00 O ATOM 0 H GLU B 11 1.953 1.577 -7.868 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.571 0.387 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.696 -0.687 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU B 11 1.974 -0.592 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -0.169 -1.956 -6.231 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -0.155 -2.208 -7.965 1.00 0.00 H new ATOM 1032 N LEU B 12 0.407 1.438 -4.961 1.00 0.00 N ATOM 1033 CA LEU B 12 -0.005 1.642 -3.572 1.00 0.00 C ATOM 1034 C LEU B 12 -1.303 2.445 -3.501 1.00 0.00 C ATOM 1035 O LEU B 12 -2.295 1.988 -2.933 1.00 0.00 O ATOM 1036 CB LEU B 12 1.099 2.376 -2.780 1.00 0.00 C ATOM 1037 CG LEU B 12 1.684 1.648 -1.553 1.00 0.00 C ATOM 1038 CD1 LEU B 12 2.429 2.640 -0.666 1.00 0.00 C ATOM 1039 CD2 LEU B 12 0.602 0.924 -0.751 1.00 0.00 C ATOM 0 H LEU B 12 1.253 1.941 -5.227 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.172 0.661 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.918 2.596 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.697 3.333 -2.446 1.00 0.00 H new ATOM 0 HG LEU B 12 2.381 0.892 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.839 2.118 0.199 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.240 3.097 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.741 3.415 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU B 12 1.056 0.424 0.105 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.135 1.646 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.112 0.185 -1.385 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.289 3.643 -4.077 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.467 4.503 -4.073 1.00 0.00 C ATOM 1053 C LEU B 13 -3.600 3.876 -4.877 1.00 0.00 C ATOM 1054 O LEU B 13 -4.776 4.123 -4.609 1.00 0.00 O ATOM 1055 CB LEU B 13 -2.120 5.886 -4.630 1.00 0.00 C ATOM 1056 CG LEU B 13 -0.916 6.566 -3.968 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.758 8.000 -4.465 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -1.054 6.531 -2.450 1.00 0.00 C ATOM 0 H LEU B 13 -0.477 4.039 -4.551 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.803 4.615 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.924 5.792 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.990 6.534 -4.521 1.00 0.00 H new ATOM 0 HG LEU B 13 -0.017 6.015 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.103 8.460 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.608 7.996 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -1.656 8.569 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.191 7.018 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -1.963 7.055 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.106 5.496 -2.113 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.239 3.056 -5.860 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.225 2.384 -6.696 1.00 0.00 C ATOM 1072 C GLN B 14 -4.960 1.308 -5.899 1.00 0.00 C ATOM 1073 O GLN B 14 -6.168 1.129 -6.050 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.547 1.761 -7.922 1.00 0.00 C ATOM 1075 CG GLN B 14 -3.291 2.747 -9.052 1.00 0.00 C ATOM 1076 CD GLN B 14 -2.751 2.075 -10.297 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -1.642 2.367 -10.744 1.00 0.00 O ATOM 1078 NE2 GLN B 14 -3.534 1.167 -10.865 1.00 0.00 N ATOM 0 H GLN B 14 -2.270 2.842 -6.096 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.951 3.124 -7.033 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -2.598 1.320 -7.616 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -4.170 0.949 -8.296 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.219 3.264 -9.296 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -2.583 3.504 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -4.446 0.956 -10.461 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -3.224 0.680 -11.706 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.221 0.590 -5.058 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.815 -0.466 -4.256 1.00 0.00 C ATOM 1089 C GLY B 15 -5.833 0.050 -3.256 1.00 0.00 C ATOM 1090 O GLY B 15 -6.799 -0.639 -2.931 1.00 0.00 O ATOM 0 H GLY B 15 -3.219 0.721 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.296 -1.189 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -4.026 -0.997 -3.722 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.609 1.263 -2.761 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.506 1.879 -1.785 1.00 0.00 C ATOM 1096 C TYR B 16 -7.739 2.461 -2.470 1.00 0.00 C ATOM 1097 O TYR B 16 -8.863 2.268 -2.012 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.761 2.975 -1.018 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.605 3.694 0.018 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -7.099 3.021 1.130 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -6.898 5.049 -0.112 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.861 3.676 2.080 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.660 5.708 0.834 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.138 5.018 1.927 1.00 0.00 C ATOM 1105 OH TYR B 16 -8.894 5.674 2.870 1.00 0.00 O ATOM 0 H TYR B 16 -4.811 1.842 -3.020 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.838 1.112 -1.086 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.897 2.533 -0.522 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.380 3.706 -1.731 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.884 1.970 1.254 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.524 5.594 -0.966 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.237 3.139 2.938 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.880 6.759 0.717 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.569 6.593 2.968 1.00 0.00 H new ATOM 1115 N THR B 17 -7.522 3.182 -3.564 1.00 0.00 N ATOM 1116 CA THR B 17 -8.620 3.798 -4.300 1.00 0.00 C ATOM 1117 C THR B 17 -9.667 2.760 -4.714 1.00 0.00 C ATOM 1118 O THR B 17 -10.853 2.923 -4.429 1.00 0.00 O ATOM 1119 CB THR B 17 -8.089 4.531 -5.541 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.856 3.978 -5.958 1.00 0.00 O ATOM 1121 CG2 THR B 17 -7.873 6.017 -5.329 1.00 0.00 C ATOM 0 H THR B 17 -6.598 3.354 -3.960 1.00 0.00 H new ATOM 0 HA THR B 17 -9.100 4.518 -3.637 1.00 0.00 H new ATOM 0 HB THR B 17 -8.863 4.402 -6.297 1.00 0.00 H new ATOM 0 HG1 THR B 17 -6.120 4.449 -5.515 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.497 6.465 -6.249 1.00 0.00 H new ATOM 0 HG22 THR B 17 -8.818 6.487 -5.056 1.00 0.00 H new ATOM 0 HG23 THR B 17 -7.148 6.169 -4.529 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.234 1.701 -5.394 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.159 0.665 -5.849 1.00 0.00 C ATOM 1131 C VAL B 18 -11.130 0.255 -4.741 1.00 0.00 C ATOM 1132 O VAL B 18 -12.276 -0.108 -5.004 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.416 -0.590 -6.358 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.656 -0.281 -7.639 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.475 -1.134 -5.293 1.00 0.00 C ATOM 0 H VAL B 18 -8.258 1.538 -5.641 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.720 1.100 -6.676 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.159 -1.357 -6.576 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.140 -1.178 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.356 0.050 -8.406 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.927 0.507 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -7.964 -2.017 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.739 -0.373 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.047 -1.402 -4.405 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.658 0.338 -3.498 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.476 0.000 -2.338 1.00 0.00 C ATOM 1147 C GLU B 19 -12.417 1.150 -1.993 1.00 0.00 C ATOM 1148 O GLU B 19 -13.630 0.962 -1.884 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.593 -0.332 -1.132 1.00 0.00 C ATOM 1150 CG GLU B 19 -9.679 -1.540 -1.343 1.00 0.00 C ATOM 1151 CD GLU B 19 -9.888 -2.638 -0.313 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -11.050 -2.861 0.090 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -8.891 -3.274 0.088 1.00 0.00 O ATOM 0 H GLU B 19 -9.710 0.638 -3.270 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.071 -0.879 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -9.980 0.537 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -11.231 -0.519 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -9.851 -1.948 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -8.640 -1.212 -1.308 1.00 0.00 H new ATOM 1160 N VAL B 20 -11.852 2.344 -1.827 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.640 3.527 -1.498 1.00 0.00 C ATOM 1162 C VAL B 20 -13.727 3.748 -2.551 1.00 0.00 C ATOM 1163 O VAL B 20 -14.871 4.068 -2.231 1.00 0.00 O ATOM 1164 CB VAL B 20 -11.731 4.792 -1.366 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -11.656 5.594 -2.662 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -12.195 5.690 -0.227 1.00 0.00 C ATOM 0 H VAL B 20 -10.851 2.517 -1.915 1.00 0.00 H new ATOM 0 HA VAL B 20 -13.118 3.361 -0.533 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.729 4.426 -1.144 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -11.013 6.462 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -11.246 4.967 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.655 5.927 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.543 6.561 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -13.218 6.016 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -12.157 5.137 0.711 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.341 3.583 -3.811 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.250 3.766 -4.936 1.00 0.00 C ATOM 1178 C LEU B 21 -15.481 2.861 -4.821 1.00 0.00 C ATOM 1179 O LEU B 21 -16.612 3.319 -4.986 1.00 0.00 O ATOM 1180 CB LEU B 21 -13.507 3.492 -6.260 1.00 0.00 C ATOM 1181 CG LEU B 21 -12.968 4.734 -6.983 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -14.107 5.647 -7.441 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -11.995 5.487 -6.085 1.00 0.00 C ATOM 0 H LEU B 21 -12.393 3.320 -4.081 1.00 0.00 H new ATOM 0 HA LEU B 21 -14.599 4.799 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -12.673 2.821 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -14.183 2.965 -6.934 1.00 0.00 H new ATOM 0 HG LEU B 21 -12.433 4.404 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -13.693 6.518 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -14.757 5.102 -8.125 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -14.683 5.973 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -11.620 6.366 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -12.507 5.799 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -11.160 4.836 -5.826 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.255 1.574 -4.571 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.349 0.605 -4.473 1.00 0.00 C ATOM 1197 C ARG B 22 -16.974 0.528 -3.075 1.00 0.00 C ATOM 1198 O ARG B 22 -18.113 0.079 -2.935 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.852 -0.778 -4.893 1.00 0.00 C ATOM 1200 CG ARG B 22 -14.991 -1.462 -3.841 1.00 0.00 C ATOM 1201 CD ARG B 22 -14.280 -2.688 -4.394 1.00 0.00 C ATOM 1202 NE ARG B 22 -13.080 -3.009 -3.626 1.00 0.00 N ATOM 1203 CZ ARG B 22 -13.050 -3.859 -2.598 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -14.164 -4.433 -2.160 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -11.900 -4.123 -1.991 1.00 0.00 N ATOM 0 H ARG B 22 -14.326 1.176 -4.432 1.00 0.00 H new ATOM 0 HA ARG B 22 -17.133 0.951 -5.146 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -16.711 -1.411 -5.115 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -15.278 -0.684 -5.815 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -14.253 -0.755 -3.462 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -15.615 -1.755 -2.997 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -14.960 -3.540 -4.380 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -14.010 -2.513 -5.435 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.207 -2.553 -3.893 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -15.055 -4.226 -2.610 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -14.128 -5.081 -1.373 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.040 -3.676 -2.310 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.876 -4.773 -1.205 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.236 0.931 -2.039 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.750 0.861 -0.668 1.00 0.00 C ATOM 1221 C GLN B 23 -17.323 2.197 -0.221 1.00 0.00 C ATOM 1222 O GLN B 23 -18.420 2.259 0.333 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.639 0.420 0.294 1.00 0.00 C ATOM 1224 CG GLN B 23 -16.156 -0.290 1.540 1.00 0.00 C ATOM 1225 CD GLN B 23 -15.176 -0.243 2.695 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -14.397 -1.174 2.901 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -15.213 0.844 3.457 1.00 0.00 N ATOM 0 H GLN B 23 -15.291 1.305 -2.120 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.554 0.125 -0.651 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -14.955 -0.244 -0.235 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -15.064 1.295 0.597 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -17.096 0.167 1.849 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -16.373 -1.330 1.296 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -15.876 1.591 3.248 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -14.579 0.932 4.251 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.567 3.259 -0.457 1.00 0.00 N ATOM 1237 CA GLN B 24 -16.987 4.596 -0.077 1.00 0.00 C ATOM 1238 C GLN B 24 -17.215 4.680 1.438 1.00 0.00 C ATOM 1239 O GLN B 24 -18.344 4.533 1.907 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.271 4.987 -0.818 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.176 4.855 -2.334 1.00 0.00 C ATOM 1242 CD GLN B 24 -17.515 6.054 -2.987 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -17.585 7.169 -2.472 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -16.872 5.828 -4.127 1.00 0.00 N ATOM 0 H GLN B 24 -15.655 3.218 -0.912 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.194 5.291 -0.353 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.090 4.363 -0.460 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.523 6.018 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -17.612 3.955 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -19.177 4.728 -2.747 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -16.840 4.886 -4.517 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -16.410 6.597 -4.613 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.146 4.901 2.228 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.242 4.982 3.686 1.00 0.00 C ATOM 1255 C PRO B 25 -16.604 6.383 4.179 1.00 0.00 C ATOM 1256 O PRO B 25 -16.623 7.335 3.399 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.831 4.597 4.126 1.00 0.00 C ATOM 1258 CG PRO B 25 -13.952 5.137 3.048 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.755 5.073 1.767 1.00 0.00 C ATOM 0 HA PRO B 25 -17.029 4.345 4.089 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.584 5.030 5.095 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.725 3.517 4.223 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.653 6.162 3.268 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -13.038 4.550 2.962 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.639 5.982 1.177 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.437 4.242 1.137 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.897 6.532 5.488 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.258 7.824 6.073 1.00 0.00 C ATOM 1269 C PRO B 26 -16.052 8.750 6.220 1.00 0.00 C ATOM 1270 O PRO B 26 -16.178 9.968 6.100 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.832 7.461 7.460 1.00 0.00 C ATOM 1272 CG PRO B 26 -17.926 5.968 7.485 1.00 0.00 C ATOM 1273 CD PRO B 26 -16.906 5.468 6.504 1.00 0.00 C ATOM 0 HA PRO B 26 -17.963 8.367 5.443 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -17.185 7.825 8.258 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.811 7.917 7.610 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.727 5.582 8.485 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -18.927 5.636 7.209 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -15.927 5.339 6.966 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.188 4.504 6.080 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.884 8.162 6.485 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.654 8.932 6.652 1.00 0.00 C ATOM 1283 C ASP B 27 -12.518 8.316 5.848 1.00 0.00 C ATOM 1284 O ASP B 27 -12.426 7.096 5.711 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.273 9.016 8.135 1.00 0.00 C ATOM 1286 CG ASP B 27 -13.481 7.705 8.870 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -13.697 6.674 8.200 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -13.427 7.711 10.117 1.00 0.00 O ATOM 0 H ASP B 27 -14.766 7.154 6.588 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.830 9.941 6.279 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.228 9.314 8.221 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.867 9.794 8.615 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.658 9.175 5.317 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.521 8.732 4.517 1.00 0.00 C ATOM 1295 C LEU B 28 -9.354 8.328 5.413 1.00 0.00 C ATOM 1296 O LEU B 28 -8.694 7.317 5.172 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.083 9.848 3.558 1.00 0.00 C ATOM 1298 CG LEU B 28 -10.998 10.080 2.346 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -10.782 9.004 1.284 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -12.459 10.133 2.775 1.00 0.00 C ATOM 0 H LEU B 28 -11.726 10.187 5.426 1.00 0.00 H new ATOM 0 HA LEU B 28 -10.829 7.862 3.937 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.013 10.779 4.121 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.081 9.618 3.195 1.00 0.00 H new ATOM 0 HG LEU B 28 -10.738 11.043 1.906 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.442 9.191 0.437 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -9.745 9.027 0.949 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -11.005 8.025 1.708 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -13.089 10.298 1.901 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -12.734 9.190 3.248 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -12.601 10.949 3.484 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.103 9.131 6.441 1.00 0.00 N ATOM 1313 CA VAL B 29 -8.011 8.864 7.369 1.00 0.00 C ATOM 1314 C VAL B 29 -8.160 7.491 8.022 1.00 0.00 C ATOM 1315 O VAL B 29 -7.259 6.658 7.942 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.912 9.941 8.479 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -6.552 9.872 9.167 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -8.162 11.337 7.913 1.00 0.00 C ATOM 0 H VAL B 29 -9.641 9.972 6.652 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.096 8.888 6.777 1.00 0.00 H new ATOM 0 HB VAL B 29 -8.685 9.738 9.220 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -6.498 10.635 9.944 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -6.421 8.887 9.615 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -5.764 10.045 8.434 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -8.086 12.073 8.713 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -7.419 11.557 7.146 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -9.159 11.379 7.475 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.298 7.263 8.675 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.549 5.990 9.344 1.00 0.00 C ATOM 1330 C GLU B 30 -9.416 4.820 8.373 1.00 0.00 C ATOM 1331 O GLU B 30 -8.630 3.900 8.601 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.945 5.985 9.974 1.00 0.00 C ATOM 1333 CG GLU B 30 -11.133 4.903 11.025 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.558 4.830 11.540 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -13.158 5.898 11.781 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -13.072 3.703 11.706 1.00 0.00 O ATOM 0 H GLU B 30 -10.057 7.940 8.754 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.801 5.873 10.128 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -11.133 6.958 10.428 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.689 5.850 9.189 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.854 3.938 10.602 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.458 5.092 11.860 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.186 4.860 7.289 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.145 3.799 6.288 1.00 0.00 C ATOM 1345 C PHE B 31 -8.736 3.618 5.734 1.00 0.00 C ATOM 1346 O PHE B 31 -8.365 2.528 5.297 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.118 4.102 5.152 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.333 2.935 4.229 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.954 1.784 4.687 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -10.914 2.986 2.909 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.153 0.706 3.846 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.112 1.910 2.063 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.733 0.770 2.533 1.00 0.00 C ATOM 0 H PHE B 31 -10.843 5.612 7.082 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.443 2.870 6.774 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -12.076 4.404 5.574 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.742 4.948 4.576 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.286 1.729 5.713 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.428 3.876 2.537 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.637 -0.186 4.216 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.781 1.961 1.036 1.00 0.00 H new ATOM 0 HZ PHE B 31 -11.890 -0.071 1.874 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.955 4.692 5.752 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.587 4.651 5.250 1.00 0.00 C ATOM 1365 C ALA B 32 -5.642 3.993 6.250 1.00 0.00 C ATOM 1366 O ALA B 32 -4.843 3.133 5.882 1.00 0.00 O ATOM 1367 CB ALA B 32 -6.114 6.053 4.907 1.00 0.00 C ATOM 0 H ALA B 32 -8.246 5.602 6.109 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.578 4.043 4.345 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -5.091 6.011 4.533 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.763 6.479 4.142 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -6.148 6.677 5.800 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.732 4.396 7.514 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.873 3.832 8.549 1.00 0.00 C ATOM 1375 C VAL B 33 -5.074 2.321 8.662 1.00 0.00 C ATOM 1376 O VAL B 33 -4.137 1.544 8.485 1.00 0.00 O ATOM 1377 CB VAL B 33 -5.118 4.497 9.924 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -4.348 3.776 11.027 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -4.728 5.971 9.880 1.00 0.00 C ATOM 0 H VAL B 33 -6.386 5.106 7.844 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.844 4.033 8.252 1.00 0.00 H new ATOM 0 HB VAL B 33 -6.182 4.423 10.150 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -4.538 4.264 11.983 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -4.674 2.737 11.079 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -3.281 3.811 10.808 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.907 6.424 10.855 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.672 6.060 9.626 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.327 6.483 9.127 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.307 1.912 8.957 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.636 0.496 9.096 1.00 0.00 C ATOM 1391 C GLU B 34 -6.193 -0.292 7.866 1.00 0.00 C ATOM 1392 O GLU B 34 -5.601 -1.366 7.982 1.00 0.00 O ATOM 1393 CB GLU B 34 -8.140 0.320 9.311 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.643 0.916 10.616 1.00 0.00 C ATOM 1395 CD GLU B 34 -8.181 0.136 11.832 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -8.781 -0.921 12.122 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -7.221 0.581 12.493 1.00 0.00 O ATOM 0 H GLU B 34 -7.095 2.543 9.104 1.00 0.00 H new ATOM 0 HA GLU B 34 -6.102 0.110 9.964 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.674 0.783 8.481 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.379 -0.743 9.291 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.297 1.946 10.697 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -9.732 0.946 10.601 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.480 0.254 6.689 1.00 0.00 N ATOM 1405 CA TYR B 35 -6.109 -0.393 5.436 1.00 0.00 C ATOM 1406 C TYR B 35 -4.594 -0.543 5.340 1.00 0.00 C ATOM 1407 O TYR B 35 -4.092 -1.622 5.027 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.639 0.415 4.245 1.00 0.00 C ATOM 1409 CG TYR B 35 -6.092 -0.032 2.902 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.814 0.337 2.496 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -6.851 -0.818 2.039 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -4.309 -0.063 1.273 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -6.351 -1.222 0.815 1.00 0.00 C ATOM 1414 CZ TYR B 35 -5.080 -0.842 0.439 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.581 -1.241 -0.779 1.00 0.00 O ATOM 0 H TYR B 35 -6.968 1.143 6.577 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.557 -1.386 5.413 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.726 0.342 4.225 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -6.393 1.466 4.394 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -4.206 0.947 3.148 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -7.847 -1.117 2.331 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -3.315 0.234 0.973 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -6.952 -1.832 0.157 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.250 -1.785 -1.244 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.868 0.538 5.602 1.00 0.00 N ATOM 1426 CA PHE B 36 -2.412 0.507 5.535 1.00 0.00 C ATOM 1427 C PHE B 36 -1.837 -0.439 6.589 1.00 0.00 C ATOM 1428 O PHE B 36 -0.925 -1.214 6.300 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.836 1.924 5.689 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.577 2.598 4.365 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.580 2.128 3.529 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.333 3.688 3.951 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.340 2.723 2.307 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.094 4.290 2.729 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.096 3.806 1.906 1.00 0.00 C ATOM 0 H PHE B 36 -4.262 1.443 5.862 1.00 0.00 H new ATOM 0 HA PHE B 36 -2.121 0.127 4.556 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -2.529 2.531 6.271 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.905 1.873 6.254 1.00 0.00 H new ATOM 0 HD1 PHE B 36 0.019 1.284 3.837 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -3.116 4.069 4.590 1.00 0.00 H new ATOM 0 HE1 PHE B 36 0.440 2.341 1.664 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -2.687 5.138 2.419 1.00 0.00 H new ATOM 0 HZ PHE B 36 -0.908 4.274 0.951 1.00 0.00 H new ATOM 1445 N THR B 37 -2.378 -0.389 7.802 1.00 0.00 N ATOM 1446 CA THR B 37 -1.913 -1.265 8.873 1.00 0.00 C ATOM 1447 C THR B 37 -2.141 -2.724 8.487 1.00 0.00 C ATOM 1448 O THR B 37 -1.293 -3.584 8.720 1.00 0.00 O ATOM 1449 CB THR B 37 -2.639 -0.954 10.184 1.00 0.00 C ATOM 1450 OG1 THR B 37 -4.040 -1.074 10.020 1.00 0.00 O ATOM 1451 CG2 THR B 37 -2.359 0.436 10.721 1.00 0.00 C ATOM 0 H THR B 37 -3.133 0.243 8.067 1.00 0.00 H new ATOM 0 HA THR B 37 -0.847 -1.092 9.020 1.00 0.00 H new ATOM 0 HB THR B 37 -2.256 -1.682 10.900 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.262 -1.042 9.066 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.907 0.584 11.651 1.00 0.00 H new ATOM 0 HG22 THR B 37 -1.291 0.545 10.908 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.677 1.179 9.990 1.00 0.00 H new ATOM 1459 N ARG B 38 -3.296 -2.984 7.883 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.653 -4.330 7.445 1.00 0.00 C ATOM 1461 C ARG B 38 -2.583 -4.895 6.515 1.00 0.00 C ATOM 1462 O ARG B 38 -2.175 -6.050 6.650 1.00 0.00 O ATOM 1463 CB ARG B 38 -5.008 -4.307 6.738 1.00 0.00 C ATOM 1464 CG ARG B 38 -5.579 -5.690 6.449 1.00 0.00 C ATOM 1465 CD ARG B 38 -7.084 -5.642 6.209 1.00 0.00 C ATOM 1466 NE ARG B 38 -7.535 -6.723 5.335 1.00 0.00 N ATOM 1467 CZ ARG B 38 -7.259 -6.791 4.034 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -6.528 -5.849 3.453 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -7.713 -7.807 3.315 1.00 0.00 N ATOM 0 H ARG B 38 -4.004 -2.277 7.685 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.720 -4.974 8.322 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.718 -3.753 7.353 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.907 -3.763 5.799 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.085 -6.112 5.574 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -5.365 -6.354 7.287 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -7.605 -5.707 7.164 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.350 -4.683 5.765 1.00 0.00 H new ATOM 0 HE ARG B 38 -8.095 -7.470 5.746 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -6.174 -5.067 4.003 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -6.320 -5.907 2.456 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -8.273 -8.535 3.758 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -7.503 -7.861 2.318 1.00 0.00 H new ATOM 1483 N LEU B 39 -2.133 -4.072 5.574 1.00 0.00 N ATOM 1484 CA LEU B 39 -1.108 -4.489 4.622 1.00 0.00 C ATOM 1485 C LEU B 39 0.227 -4.700 5.332 1.00 0.00 C ATOM 1486 O LEU B 39 0.820 -5.775 5.256 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.962 -3.450 3.502 1.00 0.00 C ATOM 1488 CG LEU B 39 -0.557 -4.019 2.140 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -0.572 -2.927 1.080 1.00 0.00 C ATOM 1490 CD2 LEU B 39 0.816 -4.671 2.221 1.00 0.00 C ATOM 0 H LEU B 39 -2.461 -3.114 5.450 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.415 -5.436 4.177 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.909 -2.922 3.391 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -0.219 -2.712 3.806 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.282 -4.782 1.855 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -0.281 -3.350 0.118 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.575 -2.508 1.004 1.00 0.00 H new ATOM 0 HD13 LEU B 39 0.130 -2.141 1.358 1.00 0.00 H new ATOM 0 HD21 LEU B 39 1.088 -5.070 1.244 1.00 0.00 H new ATOM 0 HD22 LEU B 39 1.553 -3.929 2.528 1.00 0.00 H new ATOM 0 HD23 LEU B 39 0.792 -5.481 2.950 1.00 0.00 H new ATOM 1502 N ARG B 40 0.691 -3.665 6.025 1.00 0.00 N ATOM 1503 CA ARG B 40 1.952 -3.732 6.756 1.00 0.00 C ATOM 1504 C ARG B 40 1.982 -4.933 7.700 1.00 0.00 C ATOM 1505 O ARG B 40 2.868 -5.784 7.612 1.00 0.00 O ATOM 1506 CB ARG B 40 2.158 -2.441 7.556 1.00 0.00 C ATOM 1507 CG ARG B 40 3.560 -2.298 8.154 1.00 0.00 C ATOM 1508 CD ARG B 40 4.461 -1.402 7.311 1.00 0.00 C ATOM 1509 NE ARG B 40 4.997 -2.098 6.143 1.00 0.00 N ATOM 1510 CZ ARG B 40 5.930 -3.047 6.202 1.00 0.00 C ATOM 1511 NH1 ARG B 40 6.435 -3.422 7.372 1.00 0.00 N ATOM 1512 NH2 ARG B 40 6.360 -3.622 5.088 1.00 0.00 N ATOM 0 H ARG B 40 0.211 -2.768 6.096 1.00 0.00 H new ATOM 0 HA ARG B 40 2.758 -3.848 6.031 1.00 0.00 H new ATOM 0 HB2 ARG B 40 1.962 -1.588 6.907 1.00 0.00 H new ATOM 0 HB3 ARG B 40 1.425 -2.404 8.362 1.00 0.00 H new ATOM 0 HG2 ARG B 40 3.483 -1.887 9.161 1.00 0.00 H new ATOM 0 HG3 ARG B 40 4.016 -3.284 8.246 1.00 0.00 H new ATOM 0 HD2 ARG B 40 3.897 -0.528 6.984 1.00 0.00 H new ATOM 0 HD3 ARG B 40 5.285 -1.038 7.925 1.00 0.00 H new ATOM 0 HE ARG B 40 4.634 -1.841 5.225 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.109 -2.983 8.233 1.00 0.00 H new ATOM 0 HH12 ARG B 40 7.149 -4.149 7.410 1.00 0.00 H new ATOM 0 HH21 ARG B 40 5.977 -3.338 4.187 1.00 0.00 H new ATOM 0 HH22 ARG B 40 7.074 -4.349 5.132 1.00 0.00 H new ATOM 1754 N GLU C 591 -13.875 -4.201 -13.663 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.678 -3.196 -14.707 1.00 0.00 C ATOM 1756 C GLU C 591 -13.824 -1.751 -14.213 1.00 0.00 C ATOM 1757 O GLU C 591 -12.827 -1.077 -13.955 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.643 -3.455 -15.871 1.00 0.00 C ATOM 1759 CG GLU C 591 -14.275 -4.670 -16.708 1.00 0.00 C ATOM 1760 CD GLU C 591 -13.052 -4.433 -17.572 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -11.923 -4.574 -17.057 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -13.223 -4.102 -18.766 1.00 0.00 O ATOM 0 HA GLU C 591 -12.645 -3.299 -15.040 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.650 -3.589 -15.475 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -14.668 -2.575 -16.514 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -14.091 -5.519 -16.049 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -15.119 -4.938 -17.344 1.00 0.00 H new ATOM 1769 N GLU C 592 -15.063 -1.262 -14.125 1.00 0.00 N ATOM 1770 CA GLU C 592 -15.339 0.117 -13.713 1.00 0.00 C ATOM 1771 C GLU C 592 -14.550 0.558 -12.479 1.00 0.00 C ATOM 1772 O GLU C 592 -14.242 1.738 -12.324 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.841 0.290 -13.456 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.671 0.403 -14.727 1.00 0.00 C ATOM 1775 CD GLU C 592 -17.827 -0.922 -15.448 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -18.177 -1.921 -14.786 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -17.600 -0.961 -16.675 1.00 0.00 O ATOM 0 H GLU C 592 -15.899 -1.807 -14.336 1.00 0.00 H new ATOM 0 HA GLU C 592 -15.013 0.756 -14.534 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -17.201 -0.557 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.996 1.183 -12.851 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -18.657 0.794 -14.477 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -17.203 1.123 -15.398 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.242 -0.380 -11.596 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.509 -0.057 -10.372 1.00 0.00 C ATOM 1786 C ILE C 593 -12.028 0.179 -10.643 1.00 0.00 C ATOM 1787 O ILE C 593 -11.374 0.928 -9.918 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.656 -1.174 -9.315 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.129 -1.355 -8.931 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -12.812 -0.868 -8.081 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.783 -0.102 -8.393 1.00 0.00 C ATOM 0 H ILE C 593 -14.484 -1.365 -11.699 1.00 0.00 H new ATOM 0 HA ILE C 593 -13.947 0.864 -9.987 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.294 -2.106 -9.749 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -15.683 -1.694 -9.806 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.204 -2.142 -8.181 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -12.932 -1.668 -7.351 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.763 -0.792 -8.367 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -13.138 0.075 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.823 -0.312 -8.145 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -15.256 0.228 -7.498 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.742 0.683 -9.148 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.495 -0.460 -11.679 1.00 0.00 N ATOM 1804 CA TRP C 594 -10.084 -0.306 -12.021 1.00 0.00 C ATOM 1805 C TRP C 594 -9.800 0.964 -12.808 1.00 0.00 C ATOM 1806 O TRP C 594 -8.867 1.701 -12.488 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.573 -1.510 -12.807 1.00 0.00 C ATOM 1808 CG TRP C 594 -8.107 -1.415 -13.096 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.515 -1.258 -14.316 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -7.046 -1.449 -12.137 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -6.150 -1.191 -14.171 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.839 -1.311 -12.842 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -7.003 -1.584 -10.746 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.601 -1.305 -12.204 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -5.773 -1.578 -10.116 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.588 -1.439 -10.844 1.00 0.00 C ATOM 0 H TRP C 594 -12.015 -1.086 -12.294 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.555 -0.235 -11.071 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.772 -2.421 -12.243 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -10.122 -1.589 -13.745 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -8.042 -1.196 -15.257 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.478 -1.071 -14.929 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -7.913 -1.691 -10.175 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.684 -1.198 -12.764 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -5.727 -1.683 -9.042 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.643 -1.437 -10.321 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.589 1.218 -13.841 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.378 2.403 -14.657 1.00 0.00 C ATOM 1829 C LYS C 595 -10.471 3.662 -13.806 1.00 0.00 C ATOM 1830 O LYS C 595 -9.681 4.592 -13.976 1.00 0.00 O ATOM 1831 CB LYS C 595 -11.370 2.455 -15.810 1.00 0.00 C ATOM 1832 CG LYS C 595 -12.816 2.541 -15.375 1.00 0.00 C ATOM 1833 CD LYS C 595 -13.741 2.420 -16.571 1.00 0.00 C ATOM 1834 CE LYS C 595 -13.801 0.996 -17.115 1.00 0.00 C ATOM 1835 NZ LYS C 595 -15.085 0.729 -17.822 1.00 0.00 N ATOM 0 H LYS C 595 -11.370 0.629 -14.131 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.375 2.349 -15.081 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -11.138 3.316 -16.437 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -11.240 1.567 -16.428 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -13.034 1.749 -14.658 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -12.993 3.489 -14.866 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -14.743 2.740 -16.286 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -13.403 3.093 -17.359 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -12.968 0.833 -17.799 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -13.683 0.288 -16.295 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -14.895 0.205 -18.700 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -15.708 0.164 -17.210 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -15.550 1.631 -18.050 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.444 3.705 -12.905 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.632 4.875 -12.054 1.00 0.00 C ATOM 1851 C LYS C 596 -10.477 5.072 -11.073 1.00 0.00 C ATOM 1852 O LYS C 596 -9.818 6.111 -11.096 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.942 4.748 -11.271 1.00 0.00 C ATOM 1854 CG LYS C 596 -14.192 4.685 -12.143 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.545 6.025 -12.783 1.00 0.00 C ATOM 1856 CE LYS C 596 -14.659 7.149 -11.761 1.00 0.00 C ATOM 1857 NZ LYS C 596 -15.514 8.262 -12.255 1.00 0.00 N ATOM 0 H LYS C 596 -12.111 2.950 -12.744 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.666 5.745 -12.710 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -12.898 3.850 -10.655 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -13.029 5.596 -10.592 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -14.043 3.943 -12.927 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -15.033 4.346 -11.538 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -13.784 6.284 -13.519 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -15.489 5.930 -13.320 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -15.075 6.756 -10.833 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -13.665 7.530 -11.528 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -15.567 9.007 -11.531 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -15.104 8.654 -13.126 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -16.470 7.904 -12.453 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.236 4.091 -10.194 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.169 4.192 -9.199 1.00 0.00 C ATOM 1873 C ALA C 597 -7.838 4.621 -9.811 1.00 0.00 C ATOM 1874 O ALA C 597 -7.058 5.337 -9.180 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.004 2.861 -8.485 1.00 0.00 C ATOM 0 H ALA C 597 -10.767 3.221 -10.154 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.461 4.965 -8.488 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.208 2.941 -7.745 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -9.937 2.597 -7.987 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -8.748 2.088 -9.210 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.579 4.180 -11.037 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.338 4.518 -11.723 1.00 0.00 C ATOM 1883 C GLU C 598 -6.269 6.022 -11.985 1.00 0.00 C ATOM 1884 O GLU C 598 -5.190 6.611 -11.991 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.218 3.730 -13.039 1.00 0.00 C ATOM 1886 CG GLU C 598 -4.795 3.319 -13.380 1.00 0.00 C ATOM 1887 CD GLU C 598 -3.908 4.502 -13.712 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -4.231 5.237 -14.669 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -2.889 4.694 -13.015 1.00 0.00 O ATOM 0 H GLU C 598 -8.211 3.588 -11.576 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.500 4.242 -11.083 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -6.839 2.836 -12.975 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -6.616 4.337 -13.852 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -4.367 2.774 -12.538 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -4.812 2.634 -14.228 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.428 6.634 -12.194 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.500 8.069 -12.451 1.00 0.00 C ATOM 1898 C GLU C 599 -7.161 8.853 -11.188 1.00 0.00 C ATOM 1899 O GLU C 599 -6.399 9.819 -11.233 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.897 8.449 -12.946 1.00 0.00 C ATOM 1901 CG GLU C 599 -8.998 9.883 -13.444 1.00 0.00 C ATOM 1902 CD GLU C 599 -10.323 10.173 -14.120 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -10.641 9.496 -15.120 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -11.044 11.077 -13.649 1.00 0.00 O ATOM 0 H GLU C 599 -8.331 6.160 -12.191 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.773 8.319 -13.223 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -9.184 7.773 -13.751 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -9.612 8.303 -12.137 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -8.866 10.565 -12.604 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -8.186 10.078 -14.145 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.742 8.446 -10.067 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.512 9.125 -8.797 1.00 0.00 C ATOM 1913 C ALA C 600 -6.025 9.248 -8.465 1.00 0.00 C ATOM 1914 O ALA C 600 -5.609 10.214 -7.824 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.249 8.398 -7.681 1.00 0.00 C ATOM 0 H ALA C 600 -8.376 7.649 -10.011 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.901 10.139 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -8.073 8.910 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.318 8.390 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.885 7.373 -7.612 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.224 8.266 -8.879 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.790 8.285 -8.588 1.00 0.00 C ATOM 1923 C VAL C 601 -3.007 9.139 -9.579 1.00 0.00 C ATOM 1924 O VAL C 601 -2.071 9.840 -9.198 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.191 6.866 -8.550 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.732 6.924 -8.136 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -3.990 5.998 -7.593 1.00 0.00 C ATOM 0 H VAL C 601 -5.539 7.455 -9.412 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.697 8.734 -7.599 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.244 6.426 -9.546 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.320 5.915 -8.113 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.174 7.527 -8.852 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.652 7.371 -7.145 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.563 4.995 -7.569 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -3.955 6.431 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.025 5.944 -7.929 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.399 9.091 -10.844 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.728 9.881 -11.868 1.00 0.00 C ATOM 1939 C ASN C 602 -2.926 11.367 -11.585 1.00 0.00 C ATOM 1940 O ASN C 602 -2.035 12.181 -11.824 1.00 0.00 O ATOM 1941 CB ASN C 602 -3.269 9.528 -13.257 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.756 8.190 -13.758 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -3.259 7.136 -13.373 1.00 0.00 O ATOM 1944 ND2 ASN C 602 -1.746 8.227 -14.620 1.00 0.00 N ATOM 0 H ASN C 602 -4.172 8.519 -11.185 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.662 9.653 -11.847 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.358 9.507 -13.224 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -2.986 10.309 -13.963 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -1.358 7.359 -14.989 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -1.358 9.124 -14.913 1.00 0.00 H new ATOM 1951 N GLU C 603 -4.100 11.705 -11.071 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.424 13.090 -10.749 1.00 0.00 C ATOM 1953 C GLU C 603 -3.592 13.591 -9.567 1.00 0.00 C ATOM 1954 O GLU C 603 -2.888 14.593 -9.690 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.923 13.226 -10.443 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.484 14.627 -10.682 1.00 0.00 C ATOM 1957 CD GLU C 603 -6.352 15.535 -9.472 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -5.476 15.270 -8.623 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -7.126 16.509 -9.375 1.00 0.00 O ATOM 0 H GLU C 603 -4.846 11.039 -10.867 1.00 0.00 H new ATOM 0 HA GLU C 603 -4.182 13.706 -11.615 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.474 12.516 -11.059 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -6.097 12.949 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -5.966 15.080 -11.527 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -7.536 14.549 -10.957 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.668 12.911 -8.421 1.00 0.00 N ATOM 1967 CA VAL C 604 -2.910 13.332 -7.244 1.00 0.00 C ATOM 1968 C VAL C 604 -1.405 13.330 -7.505 1.00 0.00 C ATOM 1969 O VAL C 604 -0.654 14.083 -6.883 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.225 12.486 -5.991 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -2.664 11.078 -6.110 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -2.689 13.172 -4.736 1.00 0.00 C ATOM 0 H VAL C 604 -4.239 12.077 -8.285 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.231 14.354 -7.043 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.309 12.403 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -2.905 10.513 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.102 10.584 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.582 11.126 -6.228 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -2.919 12.563 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -1.609 13.292 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -3.156 14.151 -4.629 1.00 0.00 H new ATOM 1982 N LYS C 605 -0.973 12.485 -8.441 1.00 0.00 N ATOM 1983 CA LYS C 605 0.441 12.389 -8.798 1.00 0.00 C ATOM 1984 C LYS C 605 0.870 13.617 -9.591 1.00 0.00 C ATOM 1985 O LYS C 605 1.869 14.260 -9.269 1.00 0.00 O ATOM 1986 CB LYS C 605 0.701 11.123 -9.629 1.00 0.00 C ATOM 1987 CG LYS C 605 1.053 9.895 -8.804 1.00 0.00 C ATOM 1988 CD LYS C 605 1.705 8.820 -9.662 1.00 0.00 C ATOM 1989 CE LYS C 605 1.837 7.499 -8.915 1.00 0.00 C ATOM 1990 NZ LYS C 605 2.089 7.693 -7.460 1.00 0.00 N ATOM 0 H LYS C 605 -1.583 11.857 -8.965 1.00 0.00 H new ATOM 0 HA LYS C 605 1.023 12.335 -7.878 1.00 0.00 H new ATOM 0 HB2 LYS C 605 -0.186 10.905 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS C 605 1.513 11.322 -10.328 1.00 0.00 H new ATOM 0 HG2 LYS C 605 1.728 10.178 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS C 605 0.151 9.495 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS C 605 1.114 8.669 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS C 605 2.692 9.158 -9.979 1.00 0.00 H new ATOM 0 HE2 LYS C 605 0.926 6.916 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS C 605 2.652 6.919 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 2.404 6.796 -7.040 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 2.826 8.415 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 1.213 8.004 -6.994 1.00 0.00 H new ATOM 2004 N ARG C 606 0.101 13.946 -10.620 1.00 0.00 N ATOM 2005 CA ARG C 606 0.398 15.109 -11.445 1.00 0.00 C ATOM 2006 C ARG C 606 0.308 16.383 -10.605 1.00 0.00 C ATOM 2007 O ARG C 606 0.927 17.395 -10.927 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.567 15.182 -12.643 1.00 0.00 C ATOM 2009 CG ARG C 606 0.122 15.475 -13.973 1.00 0.00 C ATOM 2010 CD ARG C 606 0.951 14.291 -14.464 1.00 0.00 C ATOM 2011 NE ARG C 606 2.334 14.361 -13.996 1.00 0.00 N ATOM 2012 CZ ARG C 606 3.203 13.356 -14.093 1.00 0.00 C ATOM 2013 NH1 ARG C 606 2.844 12.206 -14.652 1.00 0.00 N ATOM 2014 NH2 ARG C 606 4.437 13.505 -13.631 1.00 0.00 N ATOM 0 H ARG C 606 -0.730 13.426 -10.903 1.00 0.00 H new ATOM 0 HA ARG C 606 1.413 15.015 -11.831 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -1.104 14.237 -12.723 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -1.311 15.956 -12.452 1.00 0.00 H new ATOM 0 HG2 ARG C 606 -0.629 15.726 -14.722 1.00 0.00 H new ATOM 0 HG3 ARG C 606 0.766 16.347 -13.862 1.00 0.00 H new ATOM 0 HD2 ARG C 606 0.497 13.362 -14.118 1.00 0.00 H new ATOM 0 HD3 ARG C 606 0.938 14.266 -15.554 1.00 0.00 H new ATOM 0 HE ARG C 606 2.653 15.231 -13.570 1.00 0.00 H new ATOM 0 HH11 ARG C 606 1.897 12.087 -15.011 1.00 0.00 H new ATOM 0 HH12 ARG C 606 3.516 11.442 -14.722 1.00 0.00 H new ATOM 0 HH21 ARG C 606 4.718 14.387 -13.203 1.00 0.00 H new ATOM 0 HH22 ARG C 606 5.105 12.738 -13.704 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.476 16.326 -9.530 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.653 17.475 -8.646 1.00 0.00 C ATOM 2030 C GLN C 607 0.515 17.640 -7.667 1.00 0.00 C ATOM 2031 O GLN C 607 1.149 18.693 -7.631 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.971 17.348 -7.872 1.00 0.00 C ATOM 2033 CG GLN C 607 -3.199 17.718 -8.694 1.00 0.00 C ATOM 2034 CD GLN C 607 -4.419 17.986 -7.835 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -4.695 17.082 -6.903 1.00 0.00 O flip ATOM 2036 NE2 GLN C 607 -5.105 18.993 -8.008 1.00 0.00 N flip ATOM 0 H GLN C 607 -0.999 15.496 -9.251 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.681 18.365 -9.275 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.077 16.323 -7.517 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.928 17.988 -6.990 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -2.978 18.603 -9.291 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -3.421 16.910 -9.391 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -4.855 19.661 -8.737 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.923 19.159 -7.422 1.00 0.00 H new ATOM 2045 N ALA C 608 0.802 16.614 -6.857 1.00 0.00 N ATOM 2046 CA ALA C 608 1.889 16.681 -5.880 1.00 0.00 C ATOM 2047 C ALA C 608 3.183 17.221 -6.487 1.00 0.00 C ATOM 2048 O ALA C 608 3.957 17.905 -5.817 1.00 0.00 O ATOM 2049 CB ALA C 608 2.130 15.302 -5.281 1.00 0.00 C ATOM 0 H ALA C 608 0.295 15.729 -6.861 1.00 0.00 H new ATOM 0 HA ALA C 608 1.584 17.377 -5.098 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.940 15.358 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA C 608 1.222 14.956 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.400 14.603 -6.073 1.00 0.00 H new ATOM 2055 N MET C 609 3.413 16.906 -7.754 1.00 0.00 N ATOM 2056 CA MET C 609 4.620 17.364 -8.438 1.00 0.00 C ATOM 2057 C MET C 609 4.602 18.884 -8.617 1.00 0.00 C ATOM 2058 O MET C 609 5.647 19.530 -8.553 1.00 0.00 O ATOM 2059 CB MET C 609 4.791 16.652 -9.790 1.00 0.00 C ATOM 2060 CG MET C 609 4.071 17.325 -10.956 1.00 0.00 C ATOM 2061 SD MET C 609 5.053 18.623 -11.735 1.00 0.00 S ATOM 2062 CE MET C 609 5.802 17.716 -13.086 1.00 0.00 C ATOM 0 H MET C 609 2.787 16.340 -8.327 1.00 0.00 H new ATOM 0 HA MET C 609 5.477 17.109 -7.815 1.00 0.00 H new ATOM 0 HB2 MET C 609 5.854 16.591 -10.022 1.00 0.00 H new ATOM 0 HB3 MET C 609 4.426 15.629 -9.696 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.816 16.572 -11.702 1.00 0.00 H new ATOM 0 HG3 MET C 609 3.133 17.751 -10.600 1.00 0.00 H new ATOM 0 HE1 MET C 609 6.441 18.385 -13.663 1.00 0.00 H new ATOM 0 HE2 MET C 609 6.400 16.897 -12.687 1.00 0.00 H new ATOM 0 HE3 MET C 609 5.021 17.314 -13.731 1.00 0.00 H new ATOM 2072 N THR C 610 3.417 19.457 -8.814 1.00 0.00 N ATOM 2073 CA THR C 610 3.296 20.906 -8.969 1.00 0.00 C ATOM 2074 C THR C 610 3.568 21.580 -7.626 1.00 0.00 C ATOM 2075 O THR C 610 4.207 22.631 -7.564 1.00 0.00 O ATOM 2076 CB THR C 610 1.903 21.286 -9.500 1.00 0.00 C ATOM 2077 OG1 THR C 610 1.023 20.183 -9.437 1.00 0.00 O ATOM 2078 CG2 THR C 610 1.917 21.774 -10.933 1.00 0.00 C ATOM 0 H THR C 610 2.535 18.947 -8.870 1.00 0.00 H new ATOM 0 HA THR C 610 4.030 21.250 -9.698 1.00 0.00 H new ATOM 0 HB THR C 610 1.567 22.100 -8.858 1.00 0.00 H new ATOM 0 HG1 THR C 610 0.800 19.996 -8.501 1.00 0.00 H new ATOM 0 HG21 THR C 610 0.902 22.024 -11.242 1.00 0.00 H new ATOM 0 HG22 THR C 610 2.548 22.659 -11.010 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.311 20.990 -11.580 1.00 0.00 H new ATOM 2086 N GLU C 611 3.095 20.956 -6.555 1.00 0.00 N ATOM 2087 CA GLU C 611 3.309 21.488 -5.215 1.00 0.00 C ATOM 2088 C GLU C 611 4.806 21.512 -4.898 1.00 0.00 C ATOM 2089 O GLU C 611 5.280 22.323 -4.103 1.00 0.00 O ATOM 2090 CB GLU C 611 2.561 20.645 -4.178 1.00 0.00 C ATOM 2091 CG GLU C 611 1.058 20.869 -4.184 1.00 0.00 C ATOM 2092 CD GLU C 611 0.675 22.285 -3.797 1.00 0.00 C ATOM 2093 OE1 GLU C 611 0.885 22.658 -2.624 1.00 0.00 O ATOM 2094 OE2 GLU C 611 0.165 23.020 -4.668 1.00 0.00 O ATOM 0 H GLU C 611 2.564 20.086 -6.587 1.00 0.00 H new ATOM 0 HA GLU C 611 2.921 22.506 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU C 611 2.764 19.590 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU C 611 2.950 20.874 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU C 611 0.666 20.650 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU C 611 0.588 20.168 -3.494 1.00 0.00 H new ATOM 2101 N LEU C 612 5.533 20.599 -5.536 1.00 0.00 N ATOM 2102 CA LEU C 612 6.977 20.475 -5.352 1.00 0.00 C ATOM 2103 C LEU C 612 7.742 21.347 -6.345 1.00 0.00 C ATOM 2104 O LEU C 612 8.575 22.167 -5.957 1.00 0.00 O ATOM 2105 CB LEU C 612 7.401 19.008 -5.498 1.00 0.00 C ATOM 2106 CG LEU C 612 7.363 18.189 -4.198 1.00 0.00 C ATOM 2107 CD1 LEU C 612 7.273 16.698 -4.494 1.00 0.00 C ATOM 2108 CD2 LEU C 612 8.587 18.487 -3.341 1.00 0.00 C ATOM 0 H LEU C 612 5.140 19.926 -6.194 1.00 0.00 H new ATOM 0 HA LEU C 612 7.220 20.821 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU C 612 6.752 18.529 -6.231 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.414 18.976 -5.900 1.00 0.00 H new ATOM 0 HG LEU C 612 6.471 18.480 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU C 612 7.248 16.142 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU C 612 6.365 16.494 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU C 612 8.142 16.389 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU C 612 8.542 17.898 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU C 612 9.490 18.229 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU C 612 8.606 19.547 -3.090 1.00 0.00 H new ATOM 2120 N GLN C 613 7.467 21.142 -7.628 1.00 0.00 N ATOM 2121 CA GLN C 613 8.137 21.879 -8.695 1.00 0.00 C ATOM 2122 C GLN C 613 8.160 23.387 -8.442 1.00 0.00 C ATOM 2123 O GLN C 613 9.026 24.087 -8.963 1.00 0.00 O ATOM 2124 CB GLN C 613 7.465 21.594 -10.039 1.00 0.00 C ATOM 2125 CG GLN C 613 8.250 22.127 -11.227 1.00 0.00 C ATOM 2126 CD GLN C 613 7.749 21.589 -12.554 1.00 0.00 C ATOM 2127 OE1 GLN C 613 6.876 20.722 -12.596 1.00 0.00 O ATOM 2128 NE2 GLN C 613 8.303 22.102 -13.647 1.00 0.00 N ATOM 0 H GLN C 613 6.778 20.465 -7.957 1.00 0.00 H new ATOM 0 HA GLN C 613 9.171 21.534 -8.716 1.00 0.00 H new ATOM 0 HB2 GLN C 613 7.335 20.518 -10.152 1.00 0.00 H new ATOM 0 HB3 GLN C 613 6.469 22.038 -10.041 1.00 0.00 H new ATOM 0 HG2 GLN C 613 8.191 23.215 -11.236 1.00 0.00 H new ATOM 0 HG3 GLN C 613 9.302 21.866 -11.108 1.00 0.00 H new ATOM 0 HE21 GLN C 613 9.024 22.819 -13.565 1.00 0.00 H new ATOM 0 HE22 GLN C 613 8.008 21.779 -14.568 1.00 0.00 H new