USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 GLN : amide:sc= -0.345 K(o=-0.35,f=-2.1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 14 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.18) USER MOD Single : A 16 TYR OH : rot 143:sc= 0.854 USER MOD Single : A 17 THR OG1 : rot 94:sc= 1.15 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0.161 X(o=0.16,f=-0.045) USER MOD Single : A 35 TYR OH : rot 168:sc= -1.48 USER MOD Single : A 37 THR OG1 : rot -80:sc= 1.07 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.00835 USER MOD Single : B 14 GLN : amide:sc= -2.32 X(o=-2.3,f=-2.6!) USER MOD Single : B 16 TYR OH : rot 92:sc= 1.05 USER MOD Single : B 17 THR OG1 : rot -81:sc= -0.282 USER MOD Single : B 23 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.2) USER MOD Single : B 24 GLN : amide:sc= 0.347 K(o=0.35,f=-1.7!) USER MOD Single : B 35 TYR OH : rot 40:sc= -1.6 USER MOD Single : B 37 THR OG1 : rot -88:sc= 0.367 USER MOD Single : C 595 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.126) USER MOD Single : C 596 LYS NZ :NH3+ -111:sc= 0.0856 (180deg=-0.868) USER MOD Single : C 602 ASN :FLIP amide:sc= 0.956 F(o=-0.62,f=0.96) USER MOD Single : C 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 607 GLN : amide:sc= -2.05 K(o=-2.1,f=-6.5!) USER MOD Single : C 609 MET CE :methyl -133:sc= 0 (180deg=-0.651) USER MOD Single : C 610 THR OG1 : rot 60:sc= 0.601 USER MOD Single : C 613 GLN : amide:sc= -0.0593 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -17.875 7.724 -10.114 1.00 0.00 N ATOM 121 CA GLN A 4 -17.774 9.144 -9.790 1.00 0.00 C ATOM 122 C GLN A 4 -16.648 9.429 -8.801 1.00 0.00 C ATOM 123 O GLN A 4 -16.822 9.258 -7.597 1.00 0.00 O ATOM 124 CB GLN A 4 -19.103 9.675 -9.245 1.00 0.00 C ATOM 125 CG GLN A 4 -20.247 9.589 -10.247 1.00 0.00 C ATOM 126 CD GLN A 4 -20.915 8.225 -10.265 1.00 0.00 C ATOM 127 OE1 GLN A 4 -20.815 7.458 -9.308 1.00 0.00 O ATOM 128 NE2 GLN A 4 -21.602 7.919 -11.359 1.00 0.00 N ATOM 0 HA GLN A 4 -17.538 9.665 -10.718 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -19.371 9.113 -8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -18.973 10.714 -8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -20.991 10.349 -10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -19.868 9.816 -11.244 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -21.658 8.586 -12.129 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.073 7.017 -11.430 1.00 0.00 H new ATOM 137 N ILE A 5 -15.506 9.881 -9.309 1.00 0.00 N ATOM 138 CA ILE A 5 -14.364 10.203 -8.449 1.00 0.00 C ATOM 139 C ILE A 5 -14.795 11.116 -7.290 1.00 0.00 C ATOM 140 O ILE A 5 -15.049 12.302 -7.499 1.00 0.00 O ATOM 141 CB ILE A 5 -13.232 10.901 -9.240 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.765 10.028 -10.412 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.060 11.228 -8.322 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.391 8.617 -10.012 1.00 0.00 C ATOM 0 H ILE A 5 -15.343 10.033 -10.304 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.988 9.258 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.627 11.833 -9.644 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.557 9.986 -11.160 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.905 10.502 -10.885 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.274 11.718 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.396 11.892 -7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.671 10.308 -7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.071 8.062 -10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.577 8.648 -9.288 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.255 8.124 -9.566 1.00 0.00 H new ATOM 156 N PRO A 6 -14.893 10.584 -6.050 1.00 0.00 N ATOM 157 CA PRO A 6 -15.307 11.380 -4.886 1.00 0.00 C ATOM 158 C PRO A 6 -14.476 12.656 -4.723 1.00 0.00 C ATOM 159 O PRO A 6 -13.314 12.700 -5.126 1.00 0.00 O ATOM 160 CB PRO A 6 -15.070 10.434 -3.701 1.00 0.00 C ATOM 161 CG PRO A 6 -15.168 9.069 -4.284 1.00 0.00 C ATOM 162 CD PRO A 6 -14.625 9.179 -5.682 1.00 0.00 C ATOM 0 HA PRO A 6 -16.338 11.722 -4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.093 10.602 -3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.814 10.585 -2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.594 8.351 -3.697 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.201 8.721 -4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.560 8.952 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.121 8.485 -6.361 1.00 0.00 H new ATOM 170 N PRO A 7 -15.055 13.714 -4.117 1.00 0.00 N ATOM 171 CA PRO A 7 -14.349 14.978 -3.900 1.00 0.00 C ATOM 172 C PRO A 7 -13.452 14.926 -2.666 1.00 0.00 C ATOM 173 O PRO A 7 -13.753 14.222 -1.702 1.00 0.00 O ATOM 174 CB PRO A 7 -15.497 15.963 -3.691 1.00 0.00 C ATOM 175 CG PRO A 7 -16.539 15.154 -3.001 1.00 0.00 C ATOM 176 CD PRO A 7 -16.437 13.766 -3.590 1.00 0.00 C ATOM 0 HA PRO A 7 -13.682 15.238 -4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.187 16.816 -3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.861 16.360 -4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -16.371 15.136 -1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -17.531 15.575 -3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.608 12.997 -2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.173 13.610 -4.378 1.00 0.00 H new ATOM 184 N GLY A 8 -12.357 15.682 -2.692 1.00 0.00 N ATOM 185 CA GLY A 8 -11.445 15.708 -1.558 1.00 0.00 C ATOM 186 C GLY A 8 -10.458 14.551 -1.551 1.00 0.00 C ATOM 187 O GLY A 8 -9.407 14.635 -0.915 1.00 0.00 O ATOM 0 H GLY A 8 -12.084 16.276 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.892 16.647 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.024 15.688 -0.635 1.00 0.00 H new ATOM 191 N LEU A 9 -10.793 13.468 -2.248 1.00 0.00 N ATOM 192 CA LEU A 9 -9.922 12.296 -2.306 1.00 0.00 C ATOM 193 C LEU A 9 -8.541 12.674 -2.830 1.00 0.00 C ATOM 194 O LEU A 9 -7.521 12.275 -2.269 1.00 0.00 O ATOM 195 CB LEU A 9 -10.554 11.200 -3.185 1.00 0.00 C ATOM 196 CG LEU A 9 -10.452 9.776 -2.630 1.00 0.00 C ATOM 197 CD1 LEU A 9 -11.083 8.784 -3.596 1.00 0.00 C ATOM 198 CD2 LEU A 9 -8.999 9.409 -2.355 1.00 0.00 C ATOM 0 H LEU A 9 -11.659 13.377 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.806 11.905 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.607 11.439 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.079 11.225 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.997 9.733 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.002 7.777 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.134 9.034 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.565 8.829 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.948 8.394 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.427 9.468 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.580 10.102 -1.625 1.00 0.00 H new ATOM 210 N THR A 10 -8.518 13.444 -3.911 1.00 0.00 N ATOM 211 CA THR A 10 -7.267 13.875 -4.517 1.00 0.00 C ATOM 212 C THR A 10 -6.405 14.638 -3.515 1.00 0.00 C ATOM 213 O THR A 10 -5.192 14.456 -3.462 1.00 0.00 O ATOM 214 CB THR A 10 -7.553 14.750 -5.743 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.675 14.261 -6.455 1.00 0.00 O ATOM 216 CG2 THR A 10 -6.394 14.826 -6.713 1.00 0.00 C ATOM 0 H THR A 10 -9.355 13.783 -4.386 1.00 0.00 H new ATOM 0 HA THR A 10 -6.716 12.988 -4.830 1.00 0.00 H new ATOM 0 HB THR A 10 -7.738 15.748 -5.346 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.843 14.833 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.666 15.461 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.524 15.246 -6.208 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.156 13.826 -7.075 1.00 0.00 H new ATOM 224 N GLU A 11 -7.041 15.498 -2.728 1.00 0.00 N ATOM 225 CA GLU A 11 -6.331 16.295 -1.734 1.00 0.00 C ATOM 226 C GLU A 11 -5.726 15.417 -0.640 1.00 0.00 C ATOM 227 O GLU A 11 -4.691 15.757 -0.068 1.00 0.00 O ATOM 228 CB GLU A 11 -7.277 17.327 -1.113 1.00 0.00 C ATOM 229 CG GLU A 11 -6.561 18.412 -0.323 1.00 0.00 C ATOM 230 CD GLU A 11 -6.014 17.908 0.997 1.00 0.00 C ATOM 231 OE1 GLU A 11 -6.822 17.506 1.860 1.00 0.00 O ATOM 232 OE2 GLU A 11 -4.777 17.917 1.170 1.00 0.00 O ATOM 0 H GLU A 11 -8.047 15.661 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.515 16.810 -2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.863 17.793 -1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.979 16.814 -0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.743 18.812 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.251 19.235 -0.136 1.00 0.00 H new ATOM 239 N LEU A 12 -6.376 14.294 -0.343 1.00 0.00 N ATOM 240 CA LEU A 12 -5.890 13.384 0.695 1.00 0.00 C ATOM 241 C LEU A 12 -4.647 12.628 0.232 1.00 0.00 C ATOM 242 O LEU A 12 -3.683 12.479 0.982 1.00 0.00 O ATOM 243 CB LEU A 12 -6.985 12.385 1.107 1.00 0.00 C ATOM 244 CG LEU A 12 -7.349 12.379 2.599 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.120 12.106 3.461 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.009 13.694 2.997 1.00 0.00 C ATOM 0 H LEU A 12 -7.235 13.992 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.623 13.991 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.885 12.603 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.662 11.383 0.826 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.063 11.573 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.406 12.107 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.701 11.134 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.374 12.881 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.259 13.669 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.322 14.518 2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.918 13.836 2.413 1.00 0.00 H new ATOM 258 N LEU A 13 -4.682 12.147 -1.009 1.00 0.00 N ATOM 259 CA LEU A 13 -3.562 11.401 -1.568 1.00 0.00 C ATOM 260 C LEU A 13 -2.373 12.324 -1.829 1.00 0.00 C ATOM 261 O LEU A 13 -1.219 11.899 -1.768 1.00 0.00 O ATOM 262 CB LEU A 13 -3.989 10.696 -2.864 1.00 0.00 C ATOM 263 CG LEU A 13 -4.622 9.315 -2.684 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.763 9.378 -1.681 1.00 0.00 C ATOM 265 CD2 LEU A 13 -5.112 8.779 -4.024 1.00 0.00 C ATOM 0 H LEU A 13 -5.473 12.261 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.254 10.647 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.698 11.336 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.115 10.595 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.865 8.633 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.201 8.387 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.383 9.721 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.524 10.072 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.560 7.796 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.856 9.460 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.271 8.698 -4.713 1.00 0.00 H new ATOM 277 N GLN A 14 -2.665 13.588 -2.126 1.00 0.00 N ATOM 278 CA GLN A 14 -1.619 14.567 -2.405 1.00 0.00 C ATOM 279 C GLN A 14 -0.755 14.802 -1.175 1.00 0.00 C ATOM 280 O GLN A 14 0.468 14.869 -1.275 1.00 0.00 O ATOM 281 CB GLN A 14 -2.228 15.896 -2.886 1.00 0.00 C ATOM 282 CG GLN A 14 -1.423 16.572 -3.991 1.00 0.00 C ATOM 283 CD GLN A 14 -1.648 18.071 -4.054 1.00 0.00 C ATOM 284 OE1 GLN A 14 -1.061 18.830 -3.285 1.00 0.00 O ATOM 285 NE2 GLN A 14 -2.504 18.506 -4.972 1.00 0.00 N ATOM 0 H GLN A 14 -3.614 13.957 -2.179 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.990 14.166 -3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.241 15.713 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.309 16.577 -2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.363 16.375 -3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.690 16.129 -4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.970 17.842 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.695 19.504 -5.059 1.00 0.00 H new ATOM 294 N GLY A 15 -1.393 14.917 -0.014 1.00 0.00 N ATOM 295 CA GLY A 15 -0.654 15.132 1.215 1.00 0.00 C ATOM 296 C GLY A 15 0.410 14.075 1.426 1.00 0.00 C ATOM 297 O GLY A 15 1.549 14.389 1.768 1.00 0.00 O ATOM 0 H GLY A 15 -2.406 14.865 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.188 16.117 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.344 15.127 2.059 1.00 0.00 H new ATOM 301 N TYR A 16 0.040 12.817 1.213 1.00 0.00 N ATOM 302 CA TYR A 16 0.986 11.719 1.374 1.00 0.00 C ATOM 303 C TYR A 16 2.035 11.732 0.264 1.00 0.00 C ATOM 304 O TYR A 16 3.232 11.621 0.523 1.00 0.00 O ATOM 305 CB TYR A 16 0.262 10.371 1.374 1.00 0.00 C ATOM 306 CG TYR A 16 1.192 9.190 1.571 1.00 0.00 C ATOM 307 CD1 TYR A 16 1.954 9.078 2.725 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.315 8.193 0.607 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.808 8.012 2.919 1.00 0.00 C ATOM 310 CE2 TYR A 16 2.170 7.122 0.794 1.00 0.00 C ATOM 311 CZ TYR A 16 2.912 7.036 1.951 1.00 0.00 C ATOM 312 OH TYR A 16 3.764 5.973 2.141 1.00 0.00 O ATOM 0 H TYR A 16 -0.899 12.534 0.931 1.00 0.00 H new ATOM 0 HA TYR A 16 1.485 11.856 2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.488 10.370 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.270 10.252 0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.877 9.840 3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.734 8.257 -0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.392 7.942 3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.255 6.357 0.036 1.00 0.00 H new ATOM 0 HH TYR A 16 3.360 5.160 1.773 1.00 0.00 H new ATOM 322 N THR A 17 1.567 11.853 -0.975 1.00 0.00 N ATOM 323 CA THR A 17 2.446 11.856 -2.141 1.00 0.00 C ATOM 324 C THR A 17 3.571 12.886 -2.029 1.00 0.00 C ATOM 325 O THR A 17 4.750 12.537 -2.077 1.00 0.00 O ATOM 326 CB THR A 17 1.631 12.120 -3.408 1.00 0.00 C ATOM 327 OG1 THR A 17 0.488 11.285 -3.451 1.00 0.00 O ATOM 328 CG2 THR A 17 2.412 11.890 -4.685 1.00 0.00 C ATOM 0 H THR A 17 0.577 11.951 -1.199 1.00 0.00 H new ATOM 0 HA THR A 17 2.912 10.872 -2.192 1.00 0.00 H new ATOM 0 HB THR A 17 1.353 13.173 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.280 11.762 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.773 12.096 -5.544 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.276 12.554 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.750 10.854 -4.723 1.00 0.00 H new ATOM 336 N VAL A 18 3.200 14.158 -1.902 1.00 0.00 N ATOM 337 CA VAL A 18 4.182 15.238 -1.810 1.00 0.00 C ATOM 338 C VAL A 18 5.194 14.998 -0.692 1.00 0.00 C ATOM 339 O VAL A 18 6.343 15.423 -0.791 1.00 0.00 O ATOM 340 CB VAL A 18 3.507 16.604 -1.578 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.630 16.969 -2.768 1.00 0.00 C ATOM 342 CG2 VAL A 18 2.711 16.602 -0.272 1.00 0.00 C ATOM 0 H VAL A 18 2.229 14.467 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 18 4.703 15.249 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 18 4.281 17.366 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.160 17.936 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.242 17.023 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.859 16.209 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.244 17.576 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.940 15.833 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.381 16.396 0.562 1.00 0.00 H new ATOM 352 N GLU A 19 4.767 14.322 0.373 1.00 0.00 N ATOM 353 CA GLU A 19 5.655 14.046 1.501 1.00 0.00 C ATOM 354 C GLU A 19 6.595 12.882 1.194 1.00 0.00 C ATOM 355 O GLU A 19 7.785 12.941 1.503 1.00 0.00 O ATOM 356 CB GLU A 19 4.839 13.753 2.769 1.00 0.00 C ATOM 357 CG GLU A 19 4.313 15.006 3.474 1.00 0.00 C ATOM 358 CD GLU A 19 4.435 14.932 4.986 1.00 0.00 C ATOM 359 OE1 GLU A 19 4.390 13.809 5.531 1.00 0.00 O ATOM 360 OE2 GLU A 19 4.576 15.996 5.623 1.00 0.00 O ATOM 0 H GLU A 19 3.820 13.958 0.479 1.00 0.00 H new ATOM 0 HA GLU A 19 6.263 14.934 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.995 13.115 2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.460 13.190 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.861 15.876 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.267 15.155 3.206 1.00 0.00 H new ATOM 367 N VAL A 20 6.064 11.828 0.583 1.00 0.00 N ATOM 368 CA VAL A 20 6.876 10.662 0.239 1.00 0.00 C ATOM 369 C VAL A 20 8.090 11.075 -0.586 1.00 0.00 C ATOM 370 O VAL A 20 9.192 10.574 -0.380 1.00 0.00 O ATOM 371 CB VAL A 20 6.070 9.611 -0.557 1.00 0.00 C ATOM 372 CG1 VAL A 20 6.898 8.347 -0.751 1.00 0.00 C ATOM 373 CG2 VAL A 20 4.735 9.294 0.129 1.00 0.00 C ATOM 0 H VAL A 20 5.082 11.755 0.317 1.00 0.00 H new ATOM 0 HA VAL A 20 7.198 10.217 1.180 1.00 0.00 H new ATOM 0 HB VAL A 20 5.841 10.029 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.318 7.615 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.808 8.589 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.161 7.932 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.192 8.552 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.924 8.901 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.139 10.204 0.203 1.00 0.00 H new ATOM 383 N LEU A 21 7.871 11.987 -1.522 1.00 0.00 N ATOM 384 CA LEU A 21 8.937 12.472 -2.395 1.00 0.00 C ATOM 385 C LEU A 21 9.863 13.434 -1.655 1.00 0.00 C ATOM 386 O LEU A 21 11.072 13.442 -1.880 1.00 0.00 O ATOM 387 CB LEU A 21 8.335 13.168 -3.619 1.00 0.00 C ATOM 388 CG LEU A 21 7.221 12.393 -4.336 1.00 0.00 C ATOM 389 CD1 LEU A 21 6.470 13.298 -5.301 1.00 0.00 C ATOM 390 CD2 LEU A 21 7.788 11.188 -5.071 1.00 0.00 C ATOM 0 H LEU A 21 6.960 12.410 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 21 9.526 11.614 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.939 14.135 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.134 13.366 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 21 6.520 12.036 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.685 12.728 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.024 14.126 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.162 13.689 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.980 10.654 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.515 11.522 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.275 10.523 -4.358 1.00 0.00 H new ATOM 402 N ARG A 22 9.289 14.258 -0.786 1.00 0.00 N ATOM 403 CA ARG A 22 10.067 15.236 -0.032 1.00 0.00 C ATOM 404 C ARG A 22 11.130 14.572 0.843 1.00 0.00 C ATOM 405 O ARG A 22 12.205 15.135 1.051 1.00 0.00 O ATOM 406 CB ARG A 22 9.138 16.089 0.839 1.00 0.00 C ATOM 407 CG ARG A 22 9.775 17.383 1.334 1.00 0.00 C ATOM 408 CD ARG A 22 9.691 18.489 0.290 1.00 0.00 C ATOM 409 NE ARG A 22 8.307 18.833 -0.030 1.00 0.00 N ATOM 410 CZ ARG A 22 7.513 19.553 0.762 1.00 0.00 C ATOM 411 NH1 ARG A 22 7.958 20.011 1.926 1.00 0.00 N ATOM 412 NH2 ARG A 22 6.268 19.814 0.388 1.00 0.00 N ATOM 0 H ARG A 22 8.289 14.269 -0.586 1.00 0.00 H new ATOM 0 HA ARG A 22 10.581 15.870 -0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.241 16.331 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.819 15.500 1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.277 17.707 2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.819 17.201 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.210 19.375 0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.205 18.172 -0.617 1.00 0.00 H new ATOM 0 HE ARG A 22 7.925 18.501 -0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.914 19.813 2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.344 20.561 2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.920 19.464 -0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.659 20.365 0.993 1.00 0.00 H new ATOM 426 N GLN A 23 10.822 13.385 1.369 1.00 0.00 N ATOM 427 CA GLN A 23 11.755 12.664 2.242 1.00 0.00 C ATOM 428 C GLN A 23 12.278 11.383 1.594 1.00 0.00 C ATOM 429 O GLN A 23 13.377 10.929 1.911 1.00 0.00 O ATOM 430 CB GLN A 23 11.074 12.330 3.571 1.00 0.00 C ATOM 431 CG GLN A 23 12.041 11.858 4.646 1.00 0.00 C ATOM 432 CD GLN A 23 11.434 11.894 6.037 1.00 0.00 C ATOM 433 OE1 GLN A 23 10.791 10.938 6.470 1.00 0.00 O ATOM 434 NE2 GLN A 23 11.636 13.000 6.743 1.00 0.00 N ATOM 0 H GLN A 23 9.938 12.903 1.208 1.00 0.00 H new ATOM 0 HA GLN A 23 12.609 13.318 2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.545 13.212 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.325 11.556 3.402 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.361 10.841 4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.933 12.484 4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.176 13.768 6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.252 13.082 7.684 1.00 0.00 H new ATOM 443 N GLN A 24 11.490 10.796 0.697 1.00 0.00 N ATOM 444 CA GLN A 24 11.892 9.560 0.026 1.00 0.00 C ATOM 445 C GLN A 24 12.241 8.479 1.053 1.00 0.00 C ATOM 446 O GLN A 24 13.411 8.288 1.386 1.00 0.00 O ATOM 447 CB GLN A 24 13.090 9.823 -0.897 1.00 0.00 C ATOM 448 CG GLN A 24 12.716 10.533 -2.193 1.00 0.00 C ATOM 449 CD GLN A 24 13.882 11.287 -2.810 1.00 0.00 C ATOM 450 OE1 GLN A 24 15.007 10.789 -2.845 1.00 0.00 O ATOM 451 NE2 GLN A 24 13.617 12.493 -3.300 1.00 0.00 N ATOM 0 H GLN A 24 10.576 11.152 0.418 1.00 0.00 H new ATOM 0 HA GLN A 24 11.055 9.206 -0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.825 10.424 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.568 8.874 -1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.344 9.800 -2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.901 11.230 -1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.669 12.867 -3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.361 13.045 -3.727 1.00 0.00 H new ATOM 460 N PRO A 25 11.229 7.764 1.583 1.00 0.00 N ATOM 461 CA PRO A 25 11.443 6.716 2.584 1.00 0.00 C ATOM 462 C PRO A 25 11.850 5.381 1.959 1.00 0.00 C ATOM 463 O PRO A 25 11.783 5.215 0.741 1.00 0.00 O ATOM 464 CB PRO A 25 10.071 6.611 3.249 1.00 0.00 C ATOM 465 CG PRO A 25 9.111 6.915 2.151 1.00 0.00 C ATOM 466 CD PRO A 25 9.795 7.926 1.260 1.00 0.00 C ATOM 0 HA PRO A 25 12.256 6.953 3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.903 5.616 3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.972 7.318 4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.859 6.013 1.594 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.178 7.315 2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.597 7.730 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.450 8.939 1.466 1.00 0.00 H new ATOM 474 N PRO A 26 12.279 4.403 2.784 1.00 0.00 N ATOM 475 CA PRO A 26 12.691 3.086 2.296 1.00 0.00 C ATOM 476 C PRO A 26 11.502 2.234 1.855 1.00 0.00 C ATOM 477 O PRO A 26 11.620 1.414 0.945 1.00 0.00 O ATOM 478 CB PRO A 26 13.400 2.442 3.508 1.00 0.00 C ATOM 479 CG PRO A 26 13.509 3.522 4.537 1.00 0.00 C ATOM 480 CD PRO A 26 12.399 4.489 4.247 1.00 0.00 C ATOM 0 HA PRO A 26 13.329 3.165 1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.830 1.595 3.889 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.385 2.065 3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.416 3.112 5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.479 4.015 4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.473 4.206 4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.644 5.499 4.576 1.00 0.00 H new ATOM 488 N ASP A 27 10.358 2.431 2.512 1.00 0.00 N ATOM 489 CA ASP A 27 9.144 1.679 2.197 1.00 0.00 C ATOM 490 C ASP A 27 7.943 2.610 2.073 1.00 0.00 C ATOM 491 O ASP A 27 7.806 3.576 2.824 1.00 0.00 O ATOM 492 CB ASP A 27 8.884 0.613 3.269 1.00 0.00 C ATOM 493 CG ASP A 27 9.187 1.108 4.671 1.00 0.00 C ATOM 494 OD1 ASP A 27 9.281 2.340 4.858 1.00 0.00 O ATOM 495 OD2 ASP A 27 9.331 0.264 5.580 1.00 0.00 O ATOM 0 H ASP A 27 10.247 3.107 3.268 1.00 0.00 H new ATOM 0 HA ASP A 27 9.290 1.184 1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.842 0.297 3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.494 -0.265 3.058 1.00 0.00 H new ATOM 500 N LEU A 28 7.083 2.307 1.110 1.00 0.00 N ATOM 501 CA LEU A 28 5.885 3.101 0.857 1.00 0.00 C ATOM 502 C LEU A 28 4.727 2.648 1.741 1.00 0.00 C ATOM 503 O LEU A 28 3.861 3.444 2.104 1.00 0.00 O ATOM 504 CB LEU A 28 5.487 2.989 -0.617 1.00 0.00 C ATOM 505 CG LEU A 28 6.599 3.333 -1.622 1.00 0.00 C ATOM 506 CD1 LEU A 28 6.390 2.594 -2.937 1.00 0.00 C ATOM 507 CD2 LEU A 28 6.664 4.838 -1.856 1.00 0.00 C ATOM 0 H LEU A 28 7.194 1.509 0.485 1.00 0.00 H new ATOM 0 HA LEU A 28 6.110 4.140 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.148 1.971 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.638 3.648 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 28 7.550 3.009 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.189 2.854 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.402 1.519 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.430 2.879 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.457 5.061 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.710 5.186 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.872 5.344 -0.913 1.00 0.00 H new ATOM 519 N VAL A 29 4.713 1.360 2.079 1.00 0.00 N ATOM 520 CA VAL A 29 3.656 0.798 2.913 1.00 0.00 C ATOM 521 C VAL A 29 3.790 1.250 4.367 1.00 0.00 C ATOM 522 O VAL A 29 2.798 1.572 5.019 1.00 0.00 O ATOM 523 CB VAL A 29 3.653 -0.748 2.849 1.00 0.00 C ATOM 524 CG1 VAL A 29 4.882 -1.328 3.541 1.00 0.00 C ATOM 525 CG2 VAL A 29 2.366 -1.315 3.445 1.00 0.00 C ATOM 0 H VAL A 29 5.422 0.687 1.788 1.00 0.00 H new ATOM 0 HA VAL A 29 2.710 1.169 2.518 1.00 0.00 H new ATOM 0 HB VAL A 29 3.694 -1.041 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.854 -2.416 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.783 -0.961 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.889 -1.023 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.388 -2.403 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.281 -1.007 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.509 -0.940 2.885 1.00 0.00 H new ATOM 535 N GLU A 30 5.022 1.269 4.869 1.00 0.00 N ATOM 536 CA GLU A 30 5.282 1.678 6.246 1.00 0.00 C ATOM 537 C GLU A 30 5.056 3.178 6.416 1.00 0.00 C ATOM 538 O GLU A 30 4.270 3.609 7.260 1.00 0.00 O ATOM 539 CB GLU A 30 6.717 1.314 6.645 1.00 0.00 C ATOM 540 CG GLU A 30 6.912 1.129 8.143 1.00 0.00 C ATOM 541 CD GLU A 30 6.914 2.444 8.898 1.00 0.00 C ATOM 542 OE1 GLU A 30 7.299 3.471 8.301 1.00 0.00 O ATOM 543 OE2 GLU A 30 6.531 2.446 10.087 1.00 0.00 O ATOM 0 H GLU A 30 5.855 1.006 4.343 1.00 0.00 H new ATOM 0 HA GLU A 30 4.587 1.148 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.003 0.394 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.391 2.096 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.118 0.492 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.854 0.610 8.322 1.00 0.00 H new ATOM 550 N PHE A 31 5.756 3.964 5.606 1.00 0.00 N ATOM 551 CA PHE A 31 5.645 5.419 5.653 1.00 0.00 C ATOM 552 C PHE A 31 4.190 5.876 5.596 1.00 0.00 C ATOM 553 O PHE A 31 3.853 6.962 6.068 1.00 0.00 O ATOM 554 CB PHE A 31 6.430 6.035 4.498 1.00 0.00 C ATOM 555 CG PHE A 31 6.561 7.527 4.596 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.286 8.102 5.627 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.962 8.353 3.660 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.411 9.473 5.725 1.00 0.00 C ATOM 559 CE2 PHE A 31 6.083 9.728 3.753 1.00 0.00 C ATOM 560 CZ PHE A 31 6.809 10.288 4.787 1.00 0.00 C ATOM 0 H PHE A 31 6.410 3.616 4.905 1.00 0.00 H new ATOM 0 HA PHE A 31 6.062 5.756 6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.425 5.591 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.939 5.782 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.759 7.469 6.363 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.395 7.920 2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.979 9.908 6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.611 10.363 3.018 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.905 11.361 4.861 1.00 0.00 H new ATOM 570 N ALA A 32 3.332 5.048 5.011 1.00 0.00 N ATOM 571 CA ALA A 32 1.917 5.374 4.889 1.00 0.00 C ATOM 572 C ALA A 32 1.209 5.308 6.237 1.00 0.00 C ATOM 573 O ALA A 32 0.413 6.186 6.570 1.00 0.00 O ATOM 574 CB ALA A 32 1.265 4.460 3.871 1.00 0.00 C ATOM 0 H ALA A 32 3.592 4.145 4.614 1.00 0.00 H new ATOM 0 HA ALA A 32 1.827 6.402 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.207 4.708 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.749 4.590 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.369 3.424 4.193 1.00 0.00 H new ATOM 580 N VAL A 33 1.525 4.291 7.031 1.00 0.00 N ATOM 581 CA VAL A 33 0.935 4.158 8.359 1.00 0.00 C ATOM 582 C VAL A 33 1.428 5.309 9.231 1.00 0.00 C ATOM 583 O VAL A 33 0.627 6.092 9.740 1.00 0.00 O ATOM 584 CB VAL A 33 1.327 2.812 9.007 1.00 0.00 C ATOM 585 CG1 VAL A 33 0.757 2.693 10.411 1.00 0.00 C ATOM 586 CG2 VAL A 33 0.868 1.649 8.140 1.00 0.00 C ATOM 0 H VAL A 33 2.181 3.551 6.781 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.151 4.187 8.269 1.00 0.00 H new ATOM 0 HB VAL A 33 2.414 2.778 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.049 1.736 10.842 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.143 3.503 11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.330 2.755 10.369 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.153 0.709 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.216 1.685 8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.338 1.719 7.159 1.00 0.00 H new ATOM 596 N GLU A 34 2.736 5.410 9.404 1.00 0.00 N ATOM 597 CA GLU A 34 3.312 6.474 10.222 1.00 0.00 C ATOM 598 C GLU A 34 2.740 7.842 9.839 1.00 0.00 C ATOM 599 O GLU A 34 2.584 8.720 10.687 1.00 0.00 O ATOM 600 CB GLU A 34 4.836 6.491 10.075 1.00 0.00 C ATOM 601 CG GLU A 34 5.495 5.152 10.380 1.00 0.00 C ATOM 602 CD GLU A 34 6.984 5.278 10.646 1.00 0.00 C ATOM 603 OE1 GLU A 34 7.723 5.660 9.714 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.409 4.995 11.785 1.00 0.00 O ATOM 0 H GLU A 34 3.419 4.774 8.993 1.00 0.00 H new ATOM 0 HA GLU A 34 3.051 6.272 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.091 6.788 9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.248 7.249 10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.012 4.704 11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.336 4.474 9.541 1.00 0.00 H new ATOM 611 N TYR A 35 2.439 8.015 8.554 1.00 0.00 N ATOM 612 CA TYR A 35 1.892 9.273 8.043 1.00 0.00 C ATOM 613 C TYR A 35 0.397 9.422 8.338 1.00 0.00 C ATOM 614 O TYR A 35 -0.047 10.471 8.803 1.00 0.00 O ATOM 615 CB TYR A 35 2.135 9.370 6.533 1.00 0.00 C ATOM 616 CG TYR A 35 1.458 10.556 5.868 1.00 0.00 C ATOM 617 CD1 TYR A 35 0.092 10.542 5.604 1.00 0.00 C ATOM 618 CD2 TYR A 35 2.184 11.683 5.494 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.528 11.614 4.991 1.00 0.00 C ATOM 620 CE2 TYR A 35 1.568 12.759 4.879 1.00 0.00 C ATOM 621 CZ TYR A 35 0.213 12.719 4.631 1.00 0.00 C ATOM 622 OH TYR A 35 -0.403 13.787 4.020 1.00 0.00 O ATOM 0 H TYR A 35 2.565 7.295 7.842 1.00 0.00 H new ATOM 0 HA TYR A 35 2.407 10.084 8.558 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.208 9.430 6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.783 8.453 6.060 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.494 9.679 5.883 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.246 11.718 5.687 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.590 11.586 4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.146 13.626 4.595 1.00 0.00 H new ATOM 0 HH TYR A 35 0.209 14.553 4.005 1.00 0.00 H new ATOM 632 N PHE A 36 -0.381 8.383 8.040 1.00 0.00 N ATOM 633 CA PHE A 36 -1.828 8.429 8.251 1.00 0.00 C ATOM 634 C PHE A 36 -2.191 8.354 9.733 1.00 0.00 C ATOM 635 O PHE A 36 -2.993 9.150 10.219 1.00 0.00 O ATOM 636 CB PHE A 36 -2.518 7.298 7.470 1.00 0.00 C ATOM 637 CG PHE A 36 -2.967 7.708 6.090 1.00 0.00 C ATOM 638 CD1 PHE A 36 -4.119 8.458 5.923 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.237 7.349 4.965 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.536 8.844 4.663 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.651 7.730 3.703 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.802 8.480 3.553 1.00 0.00 C ATOM 0 H PHE A 36 -0.037 7.504 7.654 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.184 9.389 7.877 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.832 6.455 7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.382 6.950 8.036 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.699 8.745 6.788 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.335 6.765 5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.436 9.430 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.076 7.442 2.835 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.127 8.781 2.568 1.00 0.00 H new ATOM 652 N THR A 37 -1.608 7.398 10.448 1.00 0.00 N ATOM 653 CA THR A 37 -1.896 7.239 11.871 1.00 0.00 C ATOM 654 C THR A 37 -1.695 8.551 12.622 1.00 0.00 C ATOM 655 O THR A 37 -2.578 9.000 13.352 1.00 0.00 O ATOM 656 CB THR A 37 -1.015 6.146 12.481 1.00 0.00 C ATOM 657 OG1 THR A 37 0.356 6.392 12.216 1.00 0.00 O ATOM 658 CG2 THR A 37 -1.345 4.764 11.969 1.00 0.00 C ATOM 0 H THR A 37 -0.939 6.727 10.071 1.00 0.00 H new ATOM 0 HA THR A 37 -2.941 6.944 11.967 1.00 0.00 H new ATOM 0 HB THR A 37 -1.215 6.178 13.552 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.569 6.106 11.303 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.686 4.035 12.440 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.381 4.525 12.209 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.207 4.734 10.888 1.00 0.00 H new ATOM 666 N ARG A 38 -0.532 9.167 12.436 1.00 0.00 N ATOM 667 CA ARG A 38 -0.223 10.432 13.097 1.00 0.00 C ATOM 668 C ARG A 38 -1.304 11.472 12.812 1.00 0.00 C ATOM 669 O ARG A 38 -1.856 12.077 13.731 1.00 0.00 O ATOM 670 CB ARG A 38 1.143 10.952 12.633 1.00 0.00 C ATOM 671 CG ARG A 38 2.323 10.172 13.201 1.00 0.00 C ATOM 672 CD ARG A 38 2.692 10.644 14.601 1.00 0.00 C ATOM 673 NE ARG A 38 3.114 12.043 14.614 1.00 0.00 N ATOM 674 CZ ARG A 38 3.354 12.735 15.725 1.00 0.00 C ATOM 675 NH1 ARG A 38 3.217 12.163 16.915 1.00 0.00 N ATOM 676 NH2 ARG A 38 3.734 14.004 15.647 1.00 0.00 N ATOM 0 H ARG A 38 0.211 8.812 11.834 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.190 10.256 14.172 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.185 10.915 11.544 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.239 11.999 12.920 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.078 9.110 13.228 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.184 10.283 12.541 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.836 10.518 15.264 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.494 10.020 14.994 1.00 0.00 H new ATOM 0 HE ARG A 38 3.232 12.517 13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.926 11.188 16.982 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.403 12.699 17.763 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.842 14.449 14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.918 14.535 16.499 1.00 0.00 H new ATOM 690 N LEU A 39 -1.595 11.679 11.531 1.00 0.00 N ATOM 691 CA LEU A 39 -2.601 12.649 11.114 1.00 0.00 C ATOM 692 C LEU A 39 -3.899 12.487 11.908 1.00 0.00 C ATOM 693 O LEU A 39 -4.379 13.434 12.529 1.00 0.00 O ATOM 694 CB LEU A 39 -2.879 12.509 9.607 1.00 0.00 C ATOM 695 CG LEU A 39 -3.045 13.835 8.855 1.00 0.00 C ATOM 696 CD1 LEU A 39 -1.695 14.378 8.408 1.00 0.00 C ATOM 697 CD2 LEU A 39 -3.976 13.670 7.661 1.00 0.00 C ATOM 0 H LEU A 39 -1.145 11.185 10.760 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.209 13.646 11.316 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.061 11.950 9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.784 11.916 9.473 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.493 14.554 9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.839 15.319 7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.064 14.547 9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.214 13.658 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.077 14.624 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.563 12.929 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.955 13.338 8.006 1.00 0.00 H new ATOM 709 N ARG A 40 -4.466 11.282 11.880 1.00 0.00 N ATOM 710 CA ARG A 40 -5.706 11.003 12.589 1.00 0.00 C ATOM 711 C ARG A 40 -5.493 11.033 14.103 1.00 0.00 C ATOM 712 O ARG A 40 -6.222 11.708 14.830 1.00 0.00 O ATOM 713 CB ARG A 40 -6.275 9.642 12.154 1.00 0.00 C ATOM 714 CG ARG A 40 -7.581 9.764 11.388 1.00 0.00 C ATOM 715 CD ARG A 40 -8.723 10.152 12.292 1.00 0.00 C ATOM 716 NE ARG A 40 -9.231 9.008 13.035 1.00 0.00 N ATOM 717 CZ ARG A 40 -10.332 9.032 13.782 1.00 0.00 C ATOM 718 NH1 ARG A 40 -11.044 10.147 13.890 1.00 0.00 N ATOM 719 NH2 ARG A 40 -10.721 7.940 14.423 1.00 0.00 N ATOM 0 H ARG A 40 -4.083 10.485 11.372 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.425 11.782 12.334 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.541 9.129 11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.434 9.022 13.036 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.472 10.508 10.599 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.808 8.815 10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.391 10.921 12.989 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.527 10.587 11.698 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.710 8.133 12.980 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.748 10.991 13.399 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.887 10.160 14.464 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.177 7.081 14.344 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.565 7.958 14.996 1.00 0.00 H new ATOM 963 N PRO B 7 9.029 3.676 -7.914 1.00 0.00 N ATOM 964 CA PRO B 7 8.342 2.526 -8.506 1.00 0.00 C ATOM 965 C PRO B 7 7.534 1.735 -7.478 1.00 0.00 C ATOM 966 O PRO B 7 8.093 0.970 -6.691 1.00 0.00 O ATOM 967 CB PRO B 7 9.501 1.692 -9.049 1.00 0.00 C ATOM 968 CG PRO B 7 10.614 1.945 -8.090 1.00 0.00 C ATOM 969 CD PRO B 7 10.444 3.370 -7.612 1.00 0.00 C ATOM 0 HA PRO B 7 7.611 2.817 -9.260 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.244 0.633 -9.091 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.770 1.995 -10.061 1.00 0.00 H new ATOM 0 HG2 PRO B 7 10.574 1.247 -7.254 1.00 0.00 H new ATOM 0 HG3 PRO B 7 11.582 1.809 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.655 3.463 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO B 7 11.120 4.050 -8.131 1.00 0.00 H new ATOM 977 N GLY B 8 6.215 1.926 -7.495 1.00 0.00 N ATOM 978 CA GLY B 8 5.337 1.227 -6.567 1.00 0.00 C ATOM 979 C GLY B 8 4.328 2.153 -5.917 1.00 0.00 C ATOM 980 O GLY B 8 3.183 1.769 -5.681 1.00 0.00 O ATOM 0 H GLY B 8 5.736 2.556 -8.139 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.809 0.434 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY B 8 5.938 0.748 -5.794 1.00 0.00 H new ATOM 984 N LEU B 9 4.754 3.381 -5.633 1.00 0.00 N ATOM 985 CA LEU B 9 3.885 4.378 -5.011 1.00 0.00 C ATOM 986 C LEU B 9 2.541 4.449 -5.730 1.00 0.00 C ATOM 987 O LEU B 9 1.489 4.448 -5.092 1.00 0.00 O ATOM 988 CB LEU B 9 4.569 5.750 -5.034 1.00 0.00 C ATOM 989 CG LEU B 9 4.060 6.760 -3.993 1.00 0.00 C ATOM 990 CD1 LEU B 9 5.137 7.783 -3.656 1.00 0.00 C ATOM 991 CD2 LEU B 9 2.805 7.465 -4.492 1.00 0.00 C ATOM 0 H LEU B 9 5.700 3.711 -5.824 1.00 0.00 H new ATOM 0 HA LEU B 9 3.704 4.084 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.639 5.606 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.443 6.183 -6.026 1.00 0.00 H new ATOM 0 HG LEU B 9 3.812 6.208 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.752 8.486 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU B 9 6.010 7.272 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU B 9 5.420 8.324 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.463 8.175 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU B 9 3.030 7.997 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU B 9 2.023 6.728 -4.678 1.00 0.00 H new ATOM 1003 N THR B 10 2.576 4.503 -7.055 1.00 0.00 N ATOM 1004 CA THR B 10 1.348 4.563 -7.838 1.00 0.00 C ATOM 1005 C THR B 10 0.427 3.403 -7.473 1.00 0.00 C ATOM 1006 O THR B 10 -0.769 3.587 -7.252 1.00 0.00 O ATOM 1007 CB THR B 10 1.656 4.537 -9.338 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.759 5.373 -9.637 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.490 4.990 -10.198 1.00 0.00 C ATOM 0 H THR B 10 3.434 4.507 -7.607 1.00 0.00 H new ATOM 0 HA THR B 10 0.844 5.501 -7.605 1.00 0.00 H new ATOM 0 HB THR B 10 1.875 3.495 -9.570 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.942 5.342 -10.599 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.775 4.948 -11.249 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.364 4.335 -10.027 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.221 6.013 -9.936 1.00 0.00 H new ATOM 1017 N GLU B 11 1.002 2.205 -7.408 1.00 0.00 N ATOM 1018 CA GLU B 11 0.248 1.005 -7.068 1.00 0.00 C ATOM 1019 C GLU B 11 -0.304 1.076 -5.645 1.00 0.00 C ATOM 1020 O GLU B 11 -1.418 0.625 -5.382 1.00 0.00 O ATOM 1021 CB GLU B 11 1.132 -0.235 -7.229 1.00 0.00 C ATOM 1022 CG GLU B 11 0.348 -1.535 -7.290 1.00 0.00 C ATOM 1023 CD GLU B 11 -0.407 -1.699 -8.594 1.00 0.00 C ATOM 1024 OE1 GLU B 11 0.251 -1.801 -9.652 1.00 0.00 O ATOM 1025 OE2 GLU B 11 -1.655 -1.724 -8.560 1.00 0.00 O ATOM 0 H GLU B 11 1.993 2.041 -7.588 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.598 0.936 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.724 -0.134 -8.139 1.00 0.00 H new ATOM 0 HB3 GLU B 11 1.834 -0.282 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU B 11 1.032 -2.374 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -0.357 -1.569 -6.459 1.00 0.00 H new ATOM 1032 N LEU B 12 0.476 1.644 -4.728 1.00 0.00 N ATOM 1033 CA LEU B 12 0.044 1.765 -3.338 1.00 0.00 C ATOM 1034 C LEU B 12 -1.201 2.641 -3.246 1.00 0.00 C ATOM 1035 O LEU B 12 -2.193 2.263 -2.622 1.00 0.00 O ATOM 1036 CB LEU B 12 1.174 2.340 -2.468 1.00 0.00 C ATOM 1037 CG LEU B 12 2.121 1.306 -1.843 1.00 0.00 C ATOM 1038 CD1 LEU B 12 1.362 0.334 -0.943 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.884 0.556 -2.928 1.00 0.00 C ATOM 0 H LEU B 12 1.403 2.025 -4.920 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.202 0.771 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.764 3.025 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.728 2.929 -1.667 1.00 0.00 H new ATOM 0 HG LEU B 12 2.840 1.840 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.060 -0.386 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.873 0.887 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.610 -0.194 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU B 12 3.550 -0.173 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.178 0.041 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.470 1.263 -3.515 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.159 3.799 -3.896 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.301 4.706 -3.908 1.00 0.00 C ATOM 1053 C LEU B 13 -3.456 4.054 -4.665 1.00 0.00 C ATOM 1054 O LEU B 13 -4.626 4.325 -4.396 1.00 0.00 O ATOM 1055 CB LEU B 13 -1.916 6.038 -4.568 1.00 0.00 C ATOM 1056 CG LEU B 13 -1.242 7.064 -3.646 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.187 6.398 -2.768 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -0.630 8.195 -4.465 1.00 0.00 C ATOM 0 H LEU B 13 -0.349 4.131 -4.420 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.611 4.909 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.245 5.830 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.816 6.489 -4.987 1.00 0.00 H new ATOM 0 HG LEU B 13 -2.004 7.487 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.276 7.146 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.657 5.631 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU B 13 0.575 5.941 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.156 8.914 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU B 13 0.116 7.788 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.412 8.693 -5.038 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.107 3.186 -5.610 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.094 2.478 -6.413 1.00 0.00 C ATOM 1072 C GLN B 14 -4.863 1.468 -5.567 1.00 0.00 C ATOM 1073 O GLN B 14 -6.081 1.343 -5.684 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.403 1.760 -7.575 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.360 1.299 -8.667 1.00 0.00 C ATOM 1076 CD GLN B 14 -3.952 -0.023 -9.288 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -4.167 -1.087 -8.707 1.00 0.00 O ATOM 1078 NE2 GLN B 14 -3.359 0.037 -10.472 1.00 0.00 N ATOM 0 H GLN B 14 -2.140 2.956 -5.838 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.802 3.208 -6.806 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -2.661 2.427 -8.013 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -2.865 0.895 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.362 1.205 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.410 2.061 -9.445 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -3.200 0.941 -10.918 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -3.061 -0.820 -10.937 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.137 0.741 -4.723 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.756 -0.260 -3.876 1.00 0.00 C ATOM 1089 C GLY B 15 -5.813 0.311 -2.950 1.00 0.00 C ATOM 1090 O GLY B 15 -6.778 -0.370 -2.606 1.00 0.00 O ATOM 0 H GLY B 15 -3.127 0.829 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.208 -1.028 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.986 -0.749 -3.280 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.625 1.561 -2.534 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.563 2.222 -1.631 1.00 0.00 C ATOM 1096 C TYR B 16 -7.791 2.732 -2.380 1.00 0.00 C ATOM 1097 O TYR B 16 -8.922 2.494 -1.967 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.870 3.383 -0.914 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.742 4.070 0.117 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -7.202 3.380 1.233 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -7.102 5.406 -0.022 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.998 4.001 2.179 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.896 6.033 0.920 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.340 5.326 2.017 1.00 0.00 C ATOM 1105 OH TYR B 16 -9.131 5.948 2.955 1.00 0.00 O ATOM 0 H TYR B 16 -4.830 2.137 -2.809 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.896 1.488 -0.897 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.970 3.011 -0.425 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.551 4.117 -1.654 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.934 2.342 1.364 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.756 5.963 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.349 3.451 3.039 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -8.167 7.071 0.797 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.563 6.377 3.629 1.00 0.00 H new ATOM 1115 N THR B 17 -7.566 3.440 -3.480 1.00 0.00 N ATOM 1116 CA THR B 17 -8.667 3.982 -4.273 1.00 0.00 C ATOM 1117 C THR B 17 -9.689 2.901 -4.634 1.00 0.00 C ATOM 1118 O THR B 17 -10.873 3.025 -4.319 1.00 0.00 O ATOM 1119 CB THR B 17 -8.135 4.625 -5.563 1.00 0.00 C ATOM 1120 OG1 THR B 17 -7.079 3.854 -6.108 1.00 0.00 O ATOM 1121 CG2 THR B 17 -7.620 6.038 -5.380 1.00 0.00 C ATOM 0 H THR B 17 -6.637 3.653 -3.843 1.00 0.00 H new ATOM 0 HA THR B 17 -9.162 4.737 -3.662 1.00 0.00 H new ATOM 0 HB THR B 17 -8.995 4.660 -6.232 1.00 0.00 H new ATOM 0 HG1 THR B 17 -6.246 4.059 -5.635 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.262 6.422 -6.336 1.00 0.00 H new ATOM 0 HG22 THR B 17 -8.425 6.674 -5.012 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.801 6.037 -4.660 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.230 1.859 -5.319 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.105 0.774 -5.764 1.00 0.00 C ATOM 1131 C VAL B 18 -11.065 0.284 -4.676 1.00 0.00 C ATOM 1132 O VAL B 18 -12.233 0.011 -4.954 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.299 -0.435 -6.290 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.452 -0.051 -7.502 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.434 -1.027 -5.186 1.00 0.00 C ATOM 0 H VAL B 18 -8.251 1.740 -5.581 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.695 1.206 -6.572 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.009 -1.197 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -7.897 -0.923 -7.849 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.101 0.307 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.753 0.737 -7.222 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -7.875 -1.877 -5.578 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.738 -0.270 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.069 -1.358 -4.364 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.577 0.170 -3.442 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.418 -0.293 -2.338 1.00 0.00 C ATOM 1147 C GLU B 19 -12.315 0.829 -1.825 1.00 0.00 C ATOM 1148 O GLU B 19 -13.445 0.587 -1.400 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.569 -0.863 -1.198 1.00 0.00 C ATOM 1150 CG GLU B 19 -9.564 0.119 -0.621 1.00 0.00 C ATOM 1151 CD GLU B 19 -9.043 -0.314 0.735 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -9.149 -1.517 1.054 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -8.534 0.550 1.479 1.00 0.00 O ATOM 0 H GLU B 19 -9.615 0.389 -3.182 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.054 -1.091 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -11.231 -1.200 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -10.035 -1.741 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -8.727 0.225 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -10.030 1.100 -0.531 1.00 0.00 H new ATOM 1160 N VAL B 20 -11.815 2.061 -1.878 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.586 3.213 -1.427 1.00 0.00 C ATOM 1162 C VAL B 20 -13.844 3.363 -2.275 1.00 0.00 C ATOM 1163 O VAL B 20 -14.950 3.466 -1.754 1.00 0.00 O ATOM 1164 CB VAL B 20 -11.749 4.517 -1.494 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.638 5.756 -1.406 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -10.696 4.530 -0.391 1.00 0.00 C ATOM 0 H VAL B 20 -10.883 2.285 -2.227 1.00 0.00 H new ATOM 0 HA VAL B 20 -12.865 3.043 -0.387 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.244 4.542 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.019 6.652 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -13.345 5.756 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.185 5.745 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -10.117 5.452 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.186 4.473 0.581 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.031 3.675 -0.513 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.664 3.378 -3.588 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.785 3.519 -4.508 1.00 0.00 C ATOM 1178 C LEU B 21 -15.844 2.442 -4.249 1.00 0.00 C ATOM 1179 O LEU B 21 -17.034 2.737 -4.136 1.00 0.00 O ATOM 1180 CB LEU B 21 -14.300 3.426 -5.964 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.638 4.686 -6.548 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -14.481 5.928 -6.297 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -12.232 4.872 -5.996 1.00 0.00 C ATOM 0 H LEU B 21 -12.754 3.294 -4.040 1.00 0.00 H new ATOM 0 HA LEU B 21 -15.233 4.498 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.589 2.603 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -15.152 3.166 -6.592 1.00 0.00 H new ATOM 0 HG LEU B 21 -13.566 4.544 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -13.982 6.798 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -15.458 5.805 -6.764 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -14.607 6.071 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -11.788 5.770 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -12.277 4.973 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -11.622 4.006 -6.255 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.395 1.191 -4.186 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.285 0.049 -3.975 1.00 0.00 C ATOM 1197 C ARG B 22 -16.902 0.003 -2.570 1.00 0.00 C ATOM 1198 O ARG B 22 -17.941 -0.630 -2.380 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.513 -1.251 -4.229 1.00 0.00 C ATOM 1200 CG ARG B 22 -16.404 -2.475 -4.422 1.00 0.00 C ATOM 1201 CD ARG B 22 -16.792 -2.666 -5.880 1.00 0.00 C ATOM 1202 NE ARG B 22 -17.666 -1.597 -6.360 1.00 0.00 N ATOM 1203 CZ ARG B 22 -18.958 -1.497 -6.053 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -19.535 -2.392 -5.259 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -19.677 -0.494 -6.539 1.00 0.00 N ATOM 0 H ARG B 22 -14.411 0.940 -4.279 1.00 0.00 H new ATOM 0 HA ARG B 22 -17.110 0.162 -4.678 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -14.890 -1.124 -5.115 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -14.841 -1.432 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -15.883 -3.364 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.304 -2.368 -3.817 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -15.891 -2.700 -6.493 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -17.295 -3.626 -5.998 1.00 0.00 H new ATOM 0 HE ARG B 22 -17.262 -0.884 -6.967 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -18.988 -3.164 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -20.525 -2.307 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -19.240 0.199 -7.147 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -20.667 -0.416 -6.305 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.263 0.635 -1.583 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.775 0.602 -0.206 1.00 0.00 C ATOM 1221 C GLN B 23 -17.358 1.941 0.231 1.00 0.00 C ATOM 1222 O GLN B 23 -18.427 1.991 0.837 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.660 0.186 0.759 1.00 0.00 C ATOM 1224 CG GLN B 23 -16.173 -0.309 2.101 1.00 0.00 C ATOM 1225 CD GLN B 23 -15.092 -0.966 2.939 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -14.793 -0.519 4.046 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -14.501 -2.034 2.414 1.00 0.00 N ATOM 0 H GLN B 23 -15.403 1.169 -1.705 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.582 -0.130 -0.182 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -15.063 -0.599 0.295 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -14.997 1.035 0.923 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -16.596 0.529 2.655 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -16.981 -1.022 1.935 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -14.781 -2.370 1.493 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -13.768 -2.518 2.933 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.641 3.018 -0.061 1.00 0.00 N ATOM 1237 CA GLN B 24 -17.075 4.356 0.320 1.00 0.00 C ATOM 1238 C GLN B 24 -17.126 4.479 1.844 1.00 0.00 C ATOM 1239 O GLN B 24 -18.168 4.245 2.456 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.448 4.675 -0.282 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.516 4.472 -1.788 1.00 0.00 C ATOM 1242 CD GLN B 24 -17.836 5.587 -2.560 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -17.577 6.662 -2.020 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -17.545 5.335 -3.830 1.00 0.00 N ATOM 0 H GLN B 24 -15.753 2.991 -0.562 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.354 5.075 -0.070 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.199 4.046 0.195 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.705 5.709 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -18.049 3.521 -2.044 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -19.560 4.407 -2.095 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -17.778 4.429 -4.237 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -17.088 6.047 -4.400 1.00 0.00 H new ATOM 1253 N PRO B 25 -15.991 4.826 2.484 1.00 0.00 N ATOM 1254 CA PRO B 25 -15.910 4.952 3.941 1.00 0.00 C ATOM 1255 C PRO B 25 -16.326 6.334 4.442 1.00 0.00 C ATOM 1256 O PRO B 25 -16.430 7.277 3.659 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.423 4.719 4.195 1.00 0.00 C ATOM 1258 CG PRO B 25 -13.764 5.348 3.016 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.688 5.104 1.846 1.00 0.00 C ATOM 0 HA PRO B 25 -16.578 4.264 4.458 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.099 5.179 5.128 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.190 3.657 4.265 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.611 6.415 3.177 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -12.783 4.909 2.837 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.741 5.972 1.189 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.352 4.264 1.238 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.558 6.480 5.763 1.00 0.00 N ATOM 1268 CA PRO B 26 -16.946 7.761 6.352 1.00 0.00 C ATOM 1269 C PRO B 26 -15.781 8.747 6.362 1.00 0.00 C ATOM 1270 O PRO B 26 -15.962 9.941 6.129 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.366 7.403 7.794 1.00 0.00 C ATOM 1272 CG PRO B 26 -17.404 5.908 7.845 1.00 0.00 C ATOM 1273 CD PRO B 26 -16.452 5.429 6.787 1.00 0.00 C ATOM 0 HA PRO B 26 -17.741 8.247 5.787 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -16.656 7.802 8.519 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.340 7.828 8.035 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.108 5.544 8.829 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -18.412 5.538 7.658 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -15.435 5.335 7.168 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -16.737 4.452 6.397 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.580 8.229 6.633 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.371 9.048 6.674 1.00 0.00 C ATOM 1283 C ASP B 27 -12.254 8.384 5.877 1.00 0.00 C ATOM 1284 O ASP B 27 -11.993 7.191 6.029 1.00 0.00 O ATOM 1285 CB ASP B 27 -12.935 9.277 8.127 1.00 0.00 C ATOM 1286 CG ASP B 27 -13.665 10.437 8.777 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -13.379 11.598 8.415 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -14.524 10.184 9.649 1.00 0.00 O ATOM 0 H ASP B 27 -14.421 7.240 6.828 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.587 10.016 6.221 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.115 8.370 8.704 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -11.862 9.466 8.155 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.606 9.164 5.020 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.525 8.656 4.187 1.00 0.00 C ATOM 1295 C LEU B 28 -9.227 8.512 4.978 1.00 0.00 C ATOM 1296 O LEU B 28 -8.347 7.736 4.605 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.305 9.585 2.993 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.513 9.745 2.063 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -11.368 10.991 1.200 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -11.688 8.507 1.192 1.00 0.00 C ATOM 0 H LEU B 28 -11.812 10.154 4.884 1.00 0.00 H new ATOM 0 HA LEU B 28 -10.814 7.667 3.832 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.020 10.569 3.366 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.464 9.209 2.410 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.404 9.859 2.680 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -12.236 11.085 0.548 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -11.298 11.871 1.840 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.466 10.911 0.594 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -12.551 8.640 0.539 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -10.794 8.359 0.586 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -11.845 7.635 1.827 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.107 9.266 6.067 1.00 0.00 N ATOM 1313 CA VAL B 29 -7.907 9.218 6.898 1.00 0.00 C ATOM 1314 C VAL B 29 -7.809 7.897 7.658 1.00 0.00 C ATOM 1315 O VAL B 29 -6.813 7.182 7.555 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.859 10.378 7.918 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -6.460 10.509 8.508 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -8.298 11.690 7.282 1.00 0.00 C ATOM 0 H VAL B 29 -9.823 9.915 6.394 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.063 9.313 6.214 1.00 0.00 H new ATOM 0 HB VAL B 29 -8.557 10.148 8.723 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -6.443 11.330 9.224 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -6.190 9.581 9.013 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -5.746 10.709 7.709 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -8.254 12.487 8.024 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -7.635 11.931 6.451 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -9.320 11.593 6.915 1.00 0.00 H new ATOM 1328 N GLU B 30 -8.844 7.586 8.436 1.00 0.00 N ATOM 1329 CA GLU B 30 -8.865 6.360 9.229 1.00 0.00 C ATOM 1330 C GLU B 30 -8.932 5.116 8.345 1.00 0.00 C ATOM 1331 O GLU B 30 -8.218 4.144 8.584 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.039 6.379 10.215 1.00 0.00 C ATOM 1333 CG GLU B 30 -11.410 6.358 9.551 1.00 0.00 C ATOM 1334 CD GLU B 30 -11.871 4.958 9.192 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -11.646 4.032 10.000 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -12.458 4.787 8.103 1.00 0.00 O ATOM 0 H GLU B 30 -9.678 8.166 8.534 1.00 0.00 H new ATOM 0 HA GLU B 30 -7.932 6.316 9.791 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -9.956 5.519 10.879 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -9.962 7.271 10.837 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.139 6.815 10.220 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -11.380 6.968 8.648 1.00 0.00 H new ATOM 1343 N PHE B 31 -9.789 5.144 7.326 1.00 0.00 N ATOM 1344 CA PHE B 31 -9.927 4.002 6.426 1.00 0.00 C ATOM 1345 C PHE B 31 -8.586 3.621 5.809 1.00 0.00 C ATOM 1346 O PHE B 31 -8.363 2.464 5.454 1.00 0.00 O ATOM 1347 CB PHE B 31 -10.942 4.305 5.326 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.256 3.110 4.467 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.819 1.972 5.026 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -10.987 3.121 3.108 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.108 0.871 4.244 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.275 2.022 2.322 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.836 0.895 2.890 1.00 0.00 C ATOM 0 H PHE B 31 -10.392 5.936 7.105 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.285 3.157 7.015 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -11.863 4.670 5.780 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.557 5.107 4.696 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.034 1.947 6.084 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.547 3.999 2.658 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.547 -0.009 4.691 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -11.061 2.044 1.264 1.00 0.00 H new ATOM 0 HZ PHE B 31 -12.061 0.035 2.277 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.695 4.598 5.686 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.376 4.362 5.116 1.00 0.00 C ATOM 1365 C ALA B 32 -5.452 3.691 6.125 1.00 0.00 C ATOM 1366 O ALA B 32 -4.619 2.862 5.760 1.00 0.00 O ATOM 1367 CB ALA B 32 -5.782 5.669 4.621 1.00 0.00 C ATOM 0 H ALA B 32 -7.863 5.562 5.974 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.483 3.684 4.269 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -4.796 5.483 4.196 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.431 6.097 3.857 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -5.693 6.367 5.454 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.610 4.041 7.397 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.791 3.454 8.452 1.00 0.00 C ATOM 1375 C VAL B 33 -4.950 1.936 8.471 1.00 0.00 C ATOM 1376 O VAL B 33 -3.975 1.196 8.355 1.00 0.00 O ATOM 1377 CB VAL B 33 -5.154 4.033 9.838 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -4.411 3.298 10.949 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -4.851 5.524 9.886 1.00 0.00 C ATOM 0 H VAL B 33 -6.294 4.725 7.722 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.752 3.705 8.237 1.00 0.00 H new ATOM 0 HB VAL B 33 -6.223 3.890 9.997 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -4.684 3.725 11.914 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -4.680 2.242 10.930 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -3.336 3.401 10.798 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.112 5.917 10.869 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.789 5.686 9.701 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.435 6.039 9.123 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.192 1.485 8.617 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.493 0.058 8.652 1.00 0.00 C ATOM 1391 C GLU B 34 -6.003 -0.640 7.385 1.00 0.00 C ATOM 1392 O GLU B 34 -5.593 -1.800 7.423 1.00 0.00 O ATOM 1393 CB GLU B 34 -7.998 -0.163 8.820 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.831 0.411 7.685 1.00 0.00 C ATOM 1395 CD GLU B 34 -10.317 0.174 7.874 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -10.752 -0.990 7.754 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -11.044 1.153 8.144 1.00 0.00 O ATOM 0 H GLU B 34 -7.008 2.089 8.713 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.970 -0.374 9.505 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.193 -1.233 8.897 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.320 0.288 9.759 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.645 1.482 7.608 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.512 -0.036 6.743 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.056 0.073 6.263 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.625 -0.478 4.981 1.00 0.00 C ATOM 1406 C TYR B 35 -4.107 -0.621 4.917 1.00 0.00 C ATOM 1407 O TYR B 35 -3.594 -1.678 4.554 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.106 0.411 3.834 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.789 -0.144 2.461 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -6.502 -1.220 1.946 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -4.779 0.406 1.680 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -6.218 -1.730 0.692 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -4.490 -0.099 0.426 1.00 0.00 C ATOM 1414 CZ TYR B 35 -5.213 -1.166 -0.063 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.928 -1.674 -1.308 1.00 0.00 O ATOM 0 H TYR B 35 -6.393 1.034 6.216 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.066 -1.470 4.883 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.184 0.550 3.920 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.649 1.396 3.933 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -7.291 -1.665 2.534 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -4.210 1.242 2.059 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -6.782 -2.567 0.306 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -3.702 0.340 -0.168 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.763 -1.905 -1.766 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.388 0.441 5.253 1.00 0.00 N ATOM 1426 CA PHE B 36 -1.927 0.421 5.216 1.00 0.00 C ATOM 1427 C PHE B 36 -1.341 -0.446 6.333 1.00 0.00 C ATOM 1428 O PHE B 36 -0.218 -0.937 6.219 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.377 1.850 5.316 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.431 2.609 4.015 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.661 2.204 2.937 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.244 3.725 3.871 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.702 2.893 1.740 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.287 4.418 2.676 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.515 4.001 1.610 1.00 0.00 C ATOM 0 H PHE B 36 -3.790 1.329 5.555 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.627 -0.018 4.264 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -1.944 2.397 6.070 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.344 1.810 5.661 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -0.021 1.339 3.033 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -2.850 4.055 4.702 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -0.098 2.565 0.907 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -2.924 5.285 2.576 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.547 4.541 0.675 1.00 0.00 H new ATOM 1445 N THR B 37 -2.093 -0.620 7.420 1.00 0.00 N ATOM 1446 CA THR B 37 -1.622 -1.414 8.558 1.00 0.00 C ATOM 1447 C THR B 37 -1.834 -2.914 8.343 1.00 0.00 C ATOM 1448 O THR B 37 -1.017 -3.726 8.776 1.00 0.00 O ATOM 1449 CB THR B 37 -2.325 -0.968 9.841 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.728 -0.947 9.663 1.00 0.00 O ATOM 1451 CG2 THR B 37 -1.900 0.407 10.310 1.00 0.00 C ATOM 0 H THR B 37 -3.026 -0.225 7.538 1.00 0.00 H new ATOM 0 HA THR B 37 -0.549 -1.243 8.649 1.00 0.00 H new ATOM 0 HB THR B 37 -2.035 -1.697 10.597 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.001 -0.072 9.316 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.436 0.662 11.224 1.00 0.00 H new ATOM 0 HG22 THR B 37 -0.828 0.409 10.506 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.129 1.142 9.538 1.00 0.00 H new ATOM 1459 N ARG B 38 -2.923 -3.283 7.674 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.199 -4.695 7.422 1.00 0.00 C ATOM 1461 C ARG B 38 -2.131 -5.283 6.502 1.00 0.00 C ATOM 1462 O ARG B 38 -1.800 -6.464 6.595 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.602 -4.889 6.841 1.00 0.00 C ATOM 1464 CG ARG B 38 -4.798 -4.305 5.443 1.00 0.00 C ATOM 1465 CD ARG B 38 -5.239 -5.364 4.449 1.00 0.00 C ATOM 1466 NE ARG B 38 -4.143 -6.254 4.074 1.00 0.00 N ATOM 1467 CZ ARG B 38 -4.293 -7.331 3.307 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -5.488 -7.656 2.832 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -3.242 -8.085 3.015 1.00 0.00 N ATOM 0 H ARG B 38 -3.619 -2.636 7.302 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.166 -5.229 8.372 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -4.823 -5.956 6.809 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -5.327 -4.433 7.516 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.543 -3.510 5.482 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -3.866 -3.853 5.104 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -6.050 -5.950 4.880 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -5.635 -4.880 3.556 1.00 0.00 H new ATOM 0 HE ARG B 38 -3.208 -6.037 4.420 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -6.299 -7.079 3.054 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -5.596 -8.483 2.245 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -2.321 -7.839 3.378 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -3.354 -8.911 2.427 1.00 0.00 H new ATOM 1483 N LEU B 39 -1.589 -4.444 5.622 1.00 0.00 N ATOM 1484 CA LEU B 39 -0.551 -4.866 4.693 1.00 0.00 C ATOM 1485 C LEU B 39 0.795 -4.961 5.411 1.00 0.00 C ATOM 1486 O LEU B 39 1.518 -5.948 5.272 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.463 -3.881 3.510 1.00 0.00 C ATOM 1488 CG LEU B 39 -0.569 -4.524 2.120 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -2.023 -4.638 1.684 1.00 0.00 C ATOM 1490 CD2 LEU B 39 0.234 -3.733 1.094 1.00 0.00 C ATOM 0 H LEU B 39 -1.855 -3.463 5.535 1.00 0.00 H new ATOM 0 HA LEU B 39 -0.807 -5.852 4.305 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.257 -3.141 3.613 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.483 -3.344 3.574 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.151 -5.529 2.183 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.072 -5.096 0.696 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -2.570 -5.254 2.398 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.470 -3.645 1.645 1.00 0.00 H new ATOM 0 HD21 LEU B 39 0.144 -4.208 0.117 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -0.149 -2.714 1.039 1.00 0.00 H new ATOM 0 HD23 LEU B 39 1.282 -3.711 1.391 1.00 0.00 H new ATOM 1502 N ARG B 40 1.119 -3.925 6.180 1.00 0.00 N ATOM 1503 CA ARG B 40 2.373 -3.878 6.926 1.00 0.00 C ATOM 1504 C ARG B 40 2.540 -5.120 7.800 1.00 0.00 C ATOM 1505 O ARG B 40 3.490 -5.886 7.633 1.00 0.00 O ATOM 1506 CB ARG B 40 2.424 -2.610 7.800 1.00 0.00 C ATOM 1507 CG ARG B 40 3.300 -1.504 7.233 1.00 0.00 C ATOM 1508 CD ARG B 40 4.775 -1.806 7.429 1.00 0.00 C ATOM 1509 NE ARG B 40 5.157 -1.778 8.838 1.00 0.00 N ATOM 1510 CZ ARG B 40 6.345 -2.166 9.293 1.00 0.00 C ATOM 1511 NH1 ARG B 40 7.274 -2.609 8.454 1.00 0.00 N ATOM 1512 NH2 ARG B 40 6.608 -2.110 10.591 1.00 0.00 N ATOM 0 H ARG B 40 0.527 -3.103 6.303 1.00 0.00 H new ATOM 0 HA ARG B 40 3.192 -3.853 6.208 1.00 0.00 H new ATOM 0 HB2 ARG B 40 1.411 -2.228 7.928 1.00 0.00 H new ATOM 0 HB3 ARG B 40 2.791 -2.878 8.791 1.00 0.00 H new ATOM 0 HG2 ARG B 40 3.091 -1.382 6.170 1.00 0.00 H new ATOM 0 HG3 ARG B 40 3.054 -0.559 7.717 1.00 0.00 H new ATOM 0 HD2 ARG B 40 5.003 -2.787 7.011 1.00 0.00 H new ATOM 0 HD3 ARG B 40 5.370 -1.078 6.878 1.00 0.00 H new ATOM 0 HE ARG B 40 4.472 -1.441 9.514 1.00 0.00 H new ATOM 0 HH11 ARG B 40 7.079 -2.653 7.454 1.00 0.00 H new ATOM 0 HH12 ARG B 40 8.183 -2.905 8.810 1.00 0.00 H new ATOM 0 HH21 ARG B 40 5.899 -1.769 11.241 1.00 0.00 H new ATOM 0 HH22 ARG B 40 7.519 -2.408 10.940 1.00 0.00 H new ATOM 1754 N GLU C 591 -14.027 -3.929 -13.335 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.573 -3.024 -14.403 1.00 0.00 C ATOM 1756 C GLU C 591 -13.694 -1.529 -14.069 1.00 0.00 C ATOM 1757 O GLU C 591 -12.696 -0.874 -13.769 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.343 -3.329 -15.692 1.00 0.00 C ATOM 1759 CG GLU C 591 -13.963 -4.660 -16.326 1.00 0.00 C ATOM 1760 CD GLU C 591 -12.638 -4.603 -17.064 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -11.916 -3.595 -16.913 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -12.323 -5.567 -17.794 1.00 0.00 O ATOM 0 HA GLU C 591 -12.507 -3.214 -14.525 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.411 -3.330 -15.476 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -14.164 -2.529 -16.411 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -13.909 -5.424 -15.551 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -14.747 -4.964 -17.019 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.910 -0.987 -14.158 1.00 0.00 N ATOM 1770 CA GLU C 592 -15.164 0.435 -13.906 1.00 0.00 C ATOM 1771 C GLU C 592 -14.469 0.956 -12.648 1.00 0.00 C ATOM 1772 O GLU C 592 -14.119 2.134 -12.569 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.671 0.681 -13.799 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.408 0.506 -15.118 1.00 0.00 C ATOM 1775 CD GLU C 592 -18.914 0.550 -14.952 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -19.388 1.208 -14.001 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -19.619 -0.074 -15.772 1.00 0.00 O ATOM 0 H GLU C 592 -15.745 -1.518 -14.406 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.746 0.983 -14.750 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -17.092 -0.004 -13.063 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.841 1.692 -13.428 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -17.099 1.290 -15.810 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -17.123 -0.446 -15.566 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.272 0.082 -11.671 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.618 0.469 -10.425 1.00 0.00 C ATOM 1786 C ILE C 593 -12.116 0.631 -10.631 1.00 0.00 C ATOM 1787 O ILE C 593 -11.465 1.398 -9.921 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.886 -0.551 -9.286 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.315 -0.399 -8.746 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -12.870 -0.396 -8.156 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.514 0.802 -7.839 1.00 0.00 C ATOM 0 H ILE C 593 -14.554 -0.897 -11.715 1.00 0.00 H new ATOM 0 HA ILE C 593 -14.045 1.426 -10.126 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.777 -1.552 -9.704 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -16.003 -0.322 -9.588 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.582 -1.302 -8.198 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -13.083 -1.124 -7.373 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.866 -0.564 -8.544 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -12.935 0.611 -7.743 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.550 0.835 -7.502 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -14.854 0.719 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.281 1.715 -8.388 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.566 -0.090 -11.605 1.00 0.00 N ATOM 1804 CA TRP C 594 -10.140 -0.020 -11.900 1.00 0.00 C ATOM 1805 C TRP C 594 -9.795 1.211 -12.725 1.00 0.00 C ATOM 1806 O TRP C 594 -8.886 1.965 -12.384 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.683 -1.276 -12.647 1.00 0.00 C ATOM 1808 CG TRP C 594 -8.215 -1.277 -12.942 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.600 -0.744 -14.037 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -7.178 -1.825 -12.124 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -6.242 -0.925 -13.949 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.959 -1.589 -12.783 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -7.163 -2.492 -10.897 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.737 -1.995 -12.254 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -5.950 -2.895 -10.374 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.752 -2.645 -11.051 1.00 0.00 C ATOM 0 H TRP C 594 -12.088 -0.730 -12.203 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.618 0.048 -10.946 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.930 -2.156 -12.053 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -10.236 -1.358 -13.582 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -8.107 -0.252 -14.854 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.556 -0.616 -14.638 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -8.083 -2.689 -10.367 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.811 -1.804 -12.775 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -5.926 -3.412 -9.426 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.820 -2.972 -10.615 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.522 1.412 -13.809 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.280 2.554 -14.674 1.00 0.00 C ATOM 1829 C LYS C 595 -10.349 3.858 -13.883 1.00 0.00 C ATOM 1830 O LYS C 595 -9.527 4.753 -14.078 1.00 0.00 O ATOM 1831 CB LYS C 595 -11.302 2.572 -15.817 1.00 0.00 C ATOM 1832 CG LYS C 595 -10.971 1.602 -16.947 1.00 0.00 C ATOM 1833 CD LYS C 595 -12.206 1.239 -17.769 1.00 0.00 C ATOM 1834 CE LYS C 595 -12.981 0.084 -17.148 1.00 0.00 C ATOM 1835 NZ LYS C 595 -14.372 0.006 -17.674 1.00 0.00 N ATOM 0 H LYS C 595 -11.282 0.803 -14.111 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.278 2.463 -15.094 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -12.286 2.329 -15.417 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -11.363 3.582 -16.223 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -10.220 2.048 -17.599 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -10.534 0.695 -16.530 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -12.856 2.110 -17.852 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -11.903 0.970 -18.781 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -12.462 -0.853 -17.351 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -13.008 0.205 -16.065 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -14.936 -0.626 -17.071 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -14.797 0.955 -17.674 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -14.356 -0.366 -18.645 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.351 3.979 -13.020 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.531 5.206 -12.245 1.00 0.00 C ATOM 1851 C LYS C 596 -10.516 5.347 -11.106 1.00 0.00 C ATOM 1852 O LYS C 596 -9.826 6.361 -11.018 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.962 5.278 -11.700 1.00 0.00 C ATOM 1854 CG LYS C 596 -14.013 5.605 -12.772 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.758 6.916 -12.495 1.00 0.00 C ATOM 1856 CE LYS C 596 -14.085 8.108 -13.158 1.00 0.00 C ATOM 1857 NZ LYS C 596 -13.986 7.946 -14.635 1.00 0.00 N ATOM 0 H LYS C 596 -12.045 3.254 -12.839 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.355 6.041 -12.923 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -13.213 4.324 -11.236 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -13.006 6.035 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -13.525 5.668 -13.745 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -14.733 4.789 -12.829 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -15.783 6.833 -12.855 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -14.811 7.082 -11.419 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -14.647 9.014 -12.930 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -13.087 8.239 -12.740 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -12.990 7.816 -14.904 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -14.536 7.114 -14.931 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -14.363 8.795 -15.103 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.423 4.348 -10.223 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.491 4.401 -9.097 1.00 0.00 C ATOM 1873 C ALA C 597 -8.087 4.804 -9.550 1.00 0.00 C ATOM 1874 O ALA C 597 -7.378 5.525 -8.849 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.450 3.046 -8.412 1.00 0.00 C ATOM 0 H ALA C 597 -10.981 3.495 -10.268 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.842 5.159 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.756 3.084 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -10.446 2.792 -8.048 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -9.119 2.289 -9.123 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.695 4.313 -10.719 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.373 4.596 -11.271 1.00 0.00 C ATOM 1883 C GLU C 598 -6.236 6.073 -11.644 1.00 0.00 C ATOM 1884 O GLU C 598 -5.162 6.657 -11.497 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.101 3.689 -12.478 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.706 2.265 -12.095 1.00 0.00 C ATOM 1887 CD GLU C 598 -6.581 1.680 -11.001 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -6.629 2.261 -9.897 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -7.219 0.638 -11.247 1.00 0.00 O ATOM 0 H GLU C 598 -8.275 3.714 -11.306 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.625 4.384 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -6.993 3.654 -13.104 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.306 4.128 -13.080 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -5.763 1.628 -12.978 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -4.667 2.259 -11.764 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.322 6.680 -12.110 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.295 8.095 -12.476 1.00 0.00 C ATOM 1898 C GLU C 599 -6.971 8.938 -11.244 1.00 0.00 C ATOM 1899 O GLU C 599 -6.199 9.893 -11.321 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.633 8.531 -13.087 1.00 0.00 C ATOM 1901 CG GLU C 599 -8.804 8.106 -14.537 1.00 0.00 C ATOM 1902 CD GLU C 599 -9.979 8.788 -15.212 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -9.897 10.011 -15.453 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -10.980 8.099 -15.497 1.00 0.00 O ATOM 0 H GLU C 599 -8.224 6.222 -12.243 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.520 8.246 -13.228 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -9.447 8.112 -12.495 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -8.717 9.616 -13.022 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -7.892 8.333 -15.088 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -8.942 7.026 -14.581 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.560 8.577 -10.111 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.325 9.303 -8.868 1.00 0.00 C ATOM 1913 C ALA C 600 -5.837 9.348 -8.527 1.00 0.00 C ATOM 1914 O ALA C 600 -5.369 10.279 -7.874 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.117 8.673 -7.732 1.00 0.00 C ATOM 0 H ALA C 600 -8.202 7.789 -10.026 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.665 10.329 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.932 9.225 -6.810 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.181 8.706 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.806 7.636 -7.603 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.099 8.330 -8.969 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.662 8.252 -8.699 1.00 0.00 C ATOM 1923 C VAL C 601 -2.849 9.070 -9.699 1.00 0.00 C ATOM 1924 O VAL C 601 -1.939 9.804 -9.319 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.152 6.799 -8.714 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.736 6.728 -8.163 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -4.085 5.907 -7.913 1.00 0.00 C ATOM 0 H VAL C 601 -5.469 7.551 -9.513 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.524 8.668 -7.701 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.135 6.444 -9.744 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.390 5.694 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.076 7.342 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.726 7.097 -7.137 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.714 4.882 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -4.129 6.259 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.083 5.939 -8.350 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.193 8.942 -10.977 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.501 9.675 -12.034 1.00 0.00 C ATOM 1939 C ASN C 602 -2.729 11.173 -11.874 1.00 0.00 C ATOM 1940 O ASN C 602 -1.857 11.984 -12.186 1.00 0.00 O ATOM 1941 CB ASN C 602 -2.990 9.217 -13.410 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.653 7.765 -13.689 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -1.507 7.534 -14.318 1.00 0.00 O flip ATOM 1944 ND2 ASN C 602 -3.414 6.862 -13.343 1.00 0.00 N flip ATOM 0 H ASN C 602 -3.946 8.338 -11.306 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.434 9.469 -11.954 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.069 9.355 -13.474 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -2.542 9.846 -14.180 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -4.285 7.086 -12.862 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -3.174 5.890 -13.538 1.00 0.00 H new ATOM 1951 N GLU C 603 -3.908 11.532 -11.393 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.250 12.935 -11.193 1.00 0.00 C ATOM 1953 C GLU C 603 -3.540 13.506 -9.967 1.00 0.00 C ATOM 1954 O GLU C 603 -2.845 14.516 -10.070 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.771 13.093 -11.052 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.295 14.435 -11.548 1.00 0.00 C ATOM 1957 CD GLU C 603 -7.687 14.748 -11.035 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -7.954 14.486 -9.843 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -8.511 15.254 -11.825 1.00 0.00 O ATOM 0 H GLU C 603 -4.644 10.875 -11.134 1.00 0.00 H new ATOM 0 HA GLU C 603 -3.914 13.495 -12.066 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.263 12.293 -11.605 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -6.045 12.971 -10.004 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -5.612 15.225 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -6.306 14.435 -12.638 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.725 12.886 -8.801 1.00 0.00 N ATOM 1967 CA VAL C 604 -3.103 13.381 -7.578 1.00 0.00 C ATOM 1968 C VAL C 604 -1.578 13.335 -7.630 1.00 0.00 C ATOM 1969 O VAL C 604 -0.907 14.152 -7.000 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.587 12.620 -6.332 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -3.070 11.188 -6.324 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -3.151 13.361 -5.079 1.00 0.00 C ATOM 0 H VAL C 604 -4.295 12.049 -8.680 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.414 14.423 -7.503 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.676 12.572 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.429 10.676 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.430 10.666 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.980 11.195 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.495 12.820 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -2.064 13.433 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -3.581 14.363 -5.080 1.00 0.00 H new ATOM 1982 N LYS C 605 -1.026 12.384 -8.386 1.00 0.00 N ATOM 1983 CA LYS C 605 0.425 12.268 -8.502 1.00 0.00 C ATOM 1984 C LYS C 605 0.960 13.359 -9.422 1.00 0.00 C ATOM 1985 O LYS C 605 1.946 14.021 -9.099 1.00 0.00 O ATOM 1986 CB LYS C 605 0.853 10.866 -8.964 1.00 0.00 C ATOM 1987 CG LYS C 605 0.445 10.503 -10.387 1.00 0.00 C ATOM 1988 CD LYS C 605 1.562 10.764 -11.394 1.00 0.00 C ATOM 1989 CE LYS C 605 2.540 9.601 -11.465 1.00 0.00 C ATOM 1990 NZ LYS C 605 3.711 9.915 -12.329 1.00 0.00 N ATOM 0 H LYS C 605 -1.554 11.693 -8.919 1.00 0.00 H new ATOM 0 HA LYS C 605 0.862 12.408 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS C 605 1.937 10.788 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS C 605 0.428 10.130 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS C 605 0.163 9.451 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS C 605 -0.437 11.079 -10.668 1.00 0.00 H new ATOM 0 HD2 LYS C 605 1.130 10.937 -12.380 1.00 0.00 H new ATOM 0 HD3 LYS C 605 2.097 11.672 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS C 605 2.885 9.354 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS C 605 2.029 8.719 -11.852 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 4.354 9.098 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 3.384 10.126 -13.294 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 4.214 10.741 -11.946 1.00 0.00 H new ATOM 2004 N ARG C 606 0.284 13.573 -10.546 1.00 0.00 N ATOM 2005 CA ARG C 606 0.683 14.624 -11.472 1.00 0.00 C ATOM 2006 C ARG C 606 0.614 15.976 -10.760 1.00 0.00 C ATOM 2007 O ARG C 606 1.320 16.917 -11.120 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.226 14.632 -12.710 1.00 0.00 C ATOM 2009 CG ARG C 606 0.222 13.680 -13.810 1.00 0.00 C ATOM 2010 CD ARG C 606 -0.676 13.780 -15.032 1.00 0.00 C ATOM 2011 NE ARG C 606 -0.579 15.086 -15.682 1.00 0.00 N ATOM 2012 CZ ARG C 606 -1.187 15.390 -16.827 1.00 0.00 C ATOM 2013 NH1 ARG C 606 -1.931 14.487 -17.453 1.00 0.00 N ATOM 2014 NH2 ARG C 606 -1.051 16.602 -17.347 1.00 0.00 N ATOM 0 H ARG C 606 -0.535 13.038 -10.835 1.00 0.00 H new ATOM 0 HA ARG C 606 1.704 14.436 -11.803 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -1.239 14.370 -12.406 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -0.266 15.644 -13.113 1.00 0.00 H new ATOM 0 HG2 ARG C 606 1.250 13.907 -14.093 1.00 0.00 H new ATOM 0 HG3 ARG C 606 0.213 12.657 -13.433 1.00 0.00 H new ATOM 0 HD2 ARG C 606 -0.406 13.000 -15.744 1.00 0.00 H new ATOM 0 HD3 ARG C 606 -1.710 13.598 -14.737 1.00 0.00 H new ATOM 0 HE ARG C 606 -0.013 15.806 -15.233 1.00 0.00 H new ATOM 0 HH11 ARG C 606 -2.040 13.553 -17.057 1.00 0.00 H new ATOM 0 HH12 ARG C 606 -2.394 14.727 -18.330 1.00 0.00 H new ATOM 0 HH21 ARG C 606 -0.481 17.301 -16.870 1.00 0.00 H new ATOM 0 HH22 ARG C 606 -1.516 16.836 -18.224 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.251 16.062 -9.749 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.418 17.296 -8.980 1.00 0.00 C ATOM 2030 C GLN C 607 0.697 17.480 -7.941 1.00 0.00 C ATOM 2031 O GLN C 607 1.357 18.517 -7.920 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.794 17.314 -8.284 1.00 0.00 C ATOM 2033 CG GLN C 607 -2.895 18.041 -9.068 1.00 0.00 C ATOM 2034 CD GLN C 607 -3.904 17.096 -9.692 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -3.753 16.677 -10.840 1.00 0.00 O ATOM 2036 NE2 GLN C 607 -4.942 16.759 -8.937 1.00 0.00 N ATOM 0 H GLN C 607 -0.847 15.292 -9.443 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.357 18.126 -9.683 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.110 16.286 -8.106 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.687 17.788 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -3.415 18.729 -8.400 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -2.437 18.643 -9.852 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -5.026 17.130 -7.991 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.655 16.128 -9.303 1.00 0.00 H new ATOM 2045 N ALA C 608 0.915 16.483 -7.075 1.00 0.00 N ATOM 2046 CA ALA C 608 1.956 16.558 -6.045 1.00 0.00 C ATOM 2047 C ALA C 608 3.282 17.069 -6.602 1.00 0.00 C ATOM 2048 O ALA C 608 4.008 17.801 -5.931 1.00 0.00 O ATOM 2049 CB ALA C 608 2.153 15.183 -5.427 1.00 0.00 C ATOM 0 H ALA C 608 0.382 15.613 -7.068 1.00 0.00 H new ATOM 0 HA ALA C 608 1.626 17.269 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.927 15.236 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA C 608 1.218 14.849 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.456 14.477 -6.200 1.00 0.00 H new ATOM 2055 N MET C 609 3.592 16.671 -7.827 1.00 0.00 N ATOM 2056 CA MET C 609 4.840 17.092 -8.457 1.00 0.00 C ATOM 2057 C MET C 609 4.826 18.591 -8.750 1.00 0.00 C ATOM 2058 O MET C 609 5.850 19.258 -8.615 1.00 0.00 O ATOM 2059 CB MET C 609 5.123 16.293 -9.734 1.00 0.00 C ATOM 2060 CG MET C 609 3.982 16.305 -10.736 1.00 0.00 C ATOM 2061 SD MET C 609 4.486 15.743 -12.376 1.00 0.00 S ATOM 2062 CE MET C 609 4.563 13.970 -12.124 1.00 0.00 C ATOM 0 H MET C 609 3.006 16.064 -8.401 1.00 0.00 H new ATOM 0 HA MET C 609 5.646 16.888 -7.753 1.00 0.00 H new ATOM 0 HB2 MET C 609 6.016 16.695 -10.211 1.00 0.00 H new ATOM 0 HB3 MET C 609 5.344 15.261 -9.463 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.177 15.668 -10.370 1.00 0.00 H new ATOM 0 HG3 MET C 609 3.581 17.316 -10.811 1.00 0.00 H new ATOM 0 HE1 MET C 609 5.494 13.584 -12.539 1.00 0.00 H new ATOM 0 HE2 MET C 609 4.524 13.752 -11.057 1.00 0.00 H new ATOM 0 HE3 MET C 609 3.718 13.495 -12.622 1.00 0.00 H new ATOM 2072 N THR C 610 3.667 19.136 -9.113 1.00 0.00 N ATOM 2073 CA THR C 610 3.570 20.570 -9.365 1.00 0.00 C ATOM 2074 C THR C 610 3.789 21.306 -8.045 1.00 0.00 C ATOM 2075 O THR C 610 4.393 22.379 -8.008 1.00 0.00 O ATOM 2076 CB THR C 610 2.206 20.933 -9.980 1.00 0.00 C ATOM 2077 OG1 THR C 610 1.294 19.859 -9.850 1.00 0.00 O ATOM 2078 CG2 THR C 610 2.282 21.285 -11.452 1.00 0.00 C ATOM 0 H THR C 610 2.798 18.617 -9.237 1.00 0.00 H new ATOM 0 HA THR C 610 4.333 20.869 -10.084 1.00 0.00 H new ATOM 0 HB THR C 610 1.870 21.811 -9.427 1.00 0.00 H new ATOM 0 HG1 THR C 610 1.171 19.647 -8.901 1.00 0.00 H new ATOM 0 HG21 THR C 610 1.285 21.530 -11.819 1.00 0.00 H new ATOM 0 HG22 THR C 610 2.940 22.144 -11.587 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.675 20.435 -12.010 1.00 0.00 H new ATOM 2086 N GLU C 611 3.317 20.697 -6.965 1.00 0.00 N ATOM 2087 CA GLU C 611 3.483 21.266 -5.631 1.00 0.00 C ATOM 2088 C GLU C 611 4.973 21.364 -5.293 1.00 0.00 C ATOM 2089 O GLU C 611 5.402 22.221 -4.522 1.00 0.00 O ATOM 2090 CB GLU C 611 2.755 20.406 -4.588 1.00 0.00 C ATOM 2091 CG GLU C 611 2.185 21.212 -3.428 1.00 0.00 C ATOM 2092 CD GLU C 611 2.097 20.419 -2.138 1.00 0.00 C ATOM 2093 OE1 GLU C 611 3.126 20.303 -1.441 1.00 0.00 O ATOM 2094 OE2 GLU C 611 0.998 19.915 -1.826 1.00 0.00 O ATOM 0 H GLU C 611 2.816 19.809 -6.985 1.00 0.00 H new ATOM 0 HA GLU C 611 3.048 22.265 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU C 611 1.945 19.864 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU C 611 3.447 19.660 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU C 611 2.807 22.092 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU C 611 1.191 21.570 -3.696 1.00 0.00 H new ATOM 2101 N LEU C 612 5.742 20.464 -5.900 1.00 0.00 N ATOM 2102 CA LEU C 612 7.190 20.403 -5.710 1.00 0.00 C ATOM 2103 C LEU C 612 7.886 21.383 -6.645 1.00 0.00 C ATOM 2104 O LEU C 612 8.934 21.938 -6.314 1.00 0.00 O ATOM 2105 CB LEU C 612 7.695 18.979 -5.961 1.00 0.00 C ATOM 2106 CG LEU C 612 7.341 17.965 -4.859 1.00 0.00 C ATOM 2107 CD1 LEU C 612 7.176 16.556 -5.430 1.00 0.00 C ATOM 2108 CD2 LEU C 612 8.395 17.985 -3.756 1.00 0.00 C ATOM 0 H LEU C 612 5.379 19.756 -6.538 1.00 0.00 H new ATOM 0 HA LEU C 612 7.421 20.680 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU C 612 7.285 18.625 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.779 19.008 -6.074 1.00 0.00 H new ATOM 0 HG LEU C 612 6.384 18.258 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU C 612 6.926 15.864 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU C 612 6.376 16.555 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU C 612 8.108 16.243 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU C 612 8.129 17.262 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU C 612 9.367 17.726 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU C 612 8.444 18.982 -3.317 1.00 0.00 H new ATOM 2120 N GLN C 613 7.287 21.598 -7.811 1.00 0.00 N ATOM 2121 CA GLN C 613 7.838 22.521 -8.796 1.00 0.00 C ATOM 2122 C GLN C 613 7.742 23.965 -8.305 1.00 0.00 C ATOM 2123 O GLN C 613 8.332 24.870 -8.898 1.00 0.00 O ATOM 2124 CB GLN C 613 7.100 22.373 -10.128 1.00 0.00 C ATOM 2125 CG GLN C 613 7.608 23.308 -11.214 1.00 0.00 C ATOM 2126 CD GLN C 613 7.118 22.922 -12.596 1.00 0.00 C ATOM 2127 OE1 GLN C 613 6.402 23.681 -13.249 1.00 0.00 O ATOM 2128 NE2 GLN C 613 7.501 21.733 -13.048 1.00 0.00 N ATOM 0 H GLN C 613 6.419 21.145 -8.097 1.00 0.00 H new ATOM 0 HA GLN C 613 8.890 22.276 -8.940 1.00 0.00 H new ATOM 0 HB2 GLN C 613 7.195 21.344 -10.473 1.00 0.00 H new ATOM 0 HB3 GLN C 613 6.038 22.559 -9.968 1.00 0.00 H new ATOM 0 HG2 GLN C 613 7.287 24.326 -10.991 1.00 0.00 H new ATOM 0 HG3 GLN C 613 8.698 23.308 -11.207 1.00 0.00 H new ATOM 0 HE21 GLN C 613 8.095 21.136 -12.473 1.00 0.00 H new ATOM 0 HE22 GLN C 613 7.201 21.417 -13.970 1.00 0.00 H new