USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=13 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 -154:sc= 0 (180deg=0) USER MOD Set 1.2: C 613 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.34) USER MOD Set 2.1: C 602 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: C 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 14 GLN : amide:sc= -0.366 K(o=-0.37,f=-1) USER MOD Single : A 16 TYR OH : rot 27:sc= 0.0802 USER MOD Single : A 17 THR OG1 : rot 62:sc= 1.03 USER MOD Single : A 23 GLN : amide:sc= -2.04 K(o=-2,f=-3.2!) USER MOD Single : A 24 GLN : amide:sc= -2.4! C(o=-2.4!,f=-4.2!) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.597 USER MOD Single : A 37 THR OG1 : rot -68:sc= 0.983 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 GLN :FLIP amide:sc= -3.05! C(o=-4.4!,f=-3!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 THR OG1 : rot 85:sc= 1.01 USER MOD Single : B 23 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.004) USER MOD Single : B 24 GLN : amide:sc= -1.65 K(o=-1.7,f=-5.6!) USER MOD Single : B 35 TYR OH : rot -149:sc= 0.0387 USER MOD Single : B 37 THR OG1 : rot -1:sc= -0.0658 USER MOD Single : C 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 607 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.0012) USER MOD Single : C 610 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -18.234 7.230 -8.683 1.00 0.00 N ATOM 121 CA GLN A 4 -17.953 8.662 -8.639 1.00 0.00 C ATOM 122 C GLN A 4 -16.766 8.973 -7.730 1.00 0.00 C ATOM 123 O GLN A 4 -16.894 8.925 -6.507 1.00 0.00 O ATOM 124 CB GLN A 4 -19.196 9.428 -8.170 1.00 0.00 C ATOM 125 CG GLN A 4 -19.299 10.831 -8.743 1.00 0.00 C ATOM 126 CD GLN A 4 -20.615 11.503 -8.409 1.00 0.00 C ATOM 127 OE1 GLN A 4 -21.362 11.911 -9.298 1.00 0.00 O ATOM 128 NE2 GLN A 4 -20.908 11.621 -7.118 1.00 0.00 N ATOM 0 HA GLN A 4 -17.692 8.983 -9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -20.086 8.865 -8.449 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.186 9.489 -7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.478 11.437 -8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -19.183 10.786 -9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -20.260 11.269 -6.414 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -21.781 12.064 -6.832 1.00 0.00 H new ATOM 137 N ILE A 5 -15.619 9.300 -8.329 1.00 0.00 N ATOM 138 CA ILE A 5 -14.413 9.630 -7.563 1.00 0.00 C ATOM 139 C ILE A 5 -14.758 10.462 -6.319 1.00 0.00 C ATOM 140 O ILE A 5 -14.954 11.673 -6.416 1.00 0.00 O ATOM 141 CB ILE A 5 -13.390 10.411 -8.425 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.949 9.581 -9.639 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.177 10.811 -7.589 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.464 8.189 -9.289 1.00 0.00 C ATOM 0 H ILE A 5 -15.499 9.344 -9.341 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.968 8.685 -7.253 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.877 11.316 -8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.785 9.500 -10.334 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.152 10.112 -10.160 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.470 11.359 -8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.498 11.444 -6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.696 9.916 -7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.171 7.666 -10.199 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.607 8.260 -8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.265 7.638 -8.796 1.00 0.00 H new ATOM 156 N PRO A 6 -14.843 9.825 -5.130 1.00 0.00 N ATOM 157 CA PRO A 6 -15.170 10.528 -3.882 1.00 0.00 C ATOM 158 C PRO A 6 -14.293 11.763 -3.658 1.00 0.00 C ATOM 159 O PRO A 6 -13.093 11.636 -3.419 1.00 0.00 O ATOM 160 CB PRO A 6 -14.897 9.475 -2.802 1.00 0.00 C ATOM 161 CG PRO A 6 -15.105 8.174 -3.491 1.00 0.00 C ATOM 162 CD PRO A 6 -14.627 8.380 -4.903 1.00 0.00 C ATOM 0 HA PRO A 6 -16.193 10.905 -3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.883 9.560 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.575 9.589 -1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.546 7.377 -3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.156 7.884 -3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.578 8.108 -5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.191 7.773 -5.611 1.00 0.00 H new ATOM 170 N PRO A 7 -14.871 12.981 -3.722 1.00 0.00 N ATOM 171 CA PRO A 7 -14.111 14.219 -3.516 1.00 0.00 C ATOM 172 C PRO A 7 -13.190 14.139 -2.299 1.00 0.00 C ATOM 173 O PRO A 7 -13.415 13.342 -1.390 1.00 0.00 O ATOM 174 CB PRO A 7 -15.208 15.265 -3.302 1.00 0.00 C ATOM 175 CG PRO A 7 -16.358 14.757 -4.099 1.00 0.00 C ATOM 176 CD PRO A 7 -16.298 13.254 -3.997 1.00 0.00 C ATOM 0 HA PRO A 7 -13.447 14.442 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.466 15.361 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.891 16.250 -3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.302 15.138 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.288 15.081 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.939 12.880 -3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.627 12.776 -4.920 1.00 0.00 H new ATOM 184 N GLY A 8 -12.151 14.970 -2.291 1.00 0.00 N ATOM 185 CA GLY A 8 -11.209 14.977 -1.182 1.00 0.00 C ATOM 186 C GLY A 8 -10.107 13.942 -1.336 1.00 0.00 C ATOM 187 O GLY A 8 -9.048 14.063 -0.720 1.00 0.00 O ATOM 0 H GLY A 8 -11.944 15.639 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.761 15.967 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.748 14.791 -0.253 1.00 0.00 H new ATOM 191 N LEU A 9 -10.350 12.927 -2.161 1.00 0.00 N ATOM 192 CA LEU A 9 -9.362 11.877 -2.390 1.00 0.00 C ATOM 193 C LEU A 9 -8.071 12.466 -2.947 1.00 0.00 C ATOM 194 O LEU A 9 -6.980 11.967 -2.676 1.00 0.00 O ATOM 195 CB LEU A 9 -9.917 10.814 -3.354 1.00 0.00 C ATOM 196 CG LEU A 9 -10.381 9.510 -2.691 1.00 0.00 C ATOM 197 CD1 LEU A 9 -11.321 8.747 -3.610 1.00 0.00 C ATOM 198 CD2 LEU A 9 -9.186 8.643 -2.314 1.00 0.00 C ATOM 0 H LEU A 9 -11.220 12.809 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.144 11.402 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.757 11.244 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.148 10.576 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.922 9.766 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.639 7.826 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.194 9.362 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.805 8.506 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.537 7.724 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.616 8.399 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.549 9.186 -1.616 1.00 0.00 H new ATOM 210 N THR A 10 -8.202 13.528 -3.732 1.00 0.00 N ATOM 211 CA THR A 10 -7.045 14.177 -4.330 1.00 0.00 C ATOM 212 C THR A 10 -6.176 14.832 -3.263 1.00 0.00 C ATOM 213 O THR A 10 -4.971 14.611 -3.214 1.00 0.00 O ATOM 214 CB THR A 10 -7.496 15.222 -5.364 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.831 15.626 -5.114 1.00 0.00 O ATOM 216 CG2 THR A 10 -7.428 14.724 -6.794 1.00 0.00 C ATOM 0 H THR A 10 -9.097 13.957 -3.968 1.00 0.00 H new ATOM 0 HA THR A 10 -6.450 13.415 -4.834 1.00 0.00 H new ATOM 0 HB THR A 10 -6.801 16.054 -5.255 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.101 16.292 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.760 15.512 -7.470 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.401 14.448 -7.035 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.074 13.853 -6.907 1.00 0.00 H new ATOM 224 N GLU A 11 -6.801 15.642 -2.415 1.00 0.00 N ATOM 225 CA GLU A 11 -6.088 16.340 -1.352 1.00 0.00 C ATOM 226 C GLU A 11 -5.519 15.368 -0.318 1.00 0.00 C ATOM 227 O GLU A 11 -4.456 15.614 0.250 1.00 0.00 O ATOM 228 CB GLU A 11 -7.017 17.342 -0.663 1.00 0.00 C ATOM 229 CG GLU A 11 -7.554 18.414 -1.597 1.00 0.00 C ATOM 230 CD GLU A 11 -8.600 19.291 -0.937 1.00 0.00 C ATOM 231 OE1 GLU A 11 -8.521 19.485 0.293 1.00 0.00 O ATOM 232 OE2 GLU A 11 -9.497 19.783 -1.653 1.00 0.00 O ATOM 0 H GLU A 11 -7.803 15.831 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.253 16.870 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.855 16.803 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.479 17.821 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.729 19.036 -1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.986 17.940 -2.478 1.00 0.00 H new ATOM 239 N LEU A 12 -6.232 14.273 -0.067 1.00 0.00 N ATOM 240 CA LEU A 12 -5.786 13.281 0.914 1.00 0.00 C ATOM 241 C LEU A 12 -4.543 12.538 0.429 1.00 0.00 C ATOM 242 O LEU A 12 -3.597 12.329 1.188 1.00 0.00 O ATOM 243 CB LEU A 12 -6.911 12.279 1.230 1.00 0.00 C ATOM 244 CG LEU A 12 -7.385 12.255 2.689 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.237 11.909 3.634 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.018 13.589 3.073 1.00 0.00 C ATOM 0 H LEU A 12 -7.116 14.049 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.528 13.818 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.765 12.506 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.569 11.279 0.961 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.143 11.477 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.602 11.899 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.841 10.926 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.448 12.655 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.347 13.550 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.285 14.387 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.875 13.784 2.428 1.00 0.00 H new ATOM 258 N LEU A 13 -4.560 12.132 -0.837 1.00 0.00 N ATOM 259 CA LEU A 13 -3.442 11.402 -1.420 1.00 0.00 C ATOM 260 C LEU A 13 -2.259 12.336 -1.681 1.00 0.00 C ATOM 261 O LEU A 13 -1.106 11.906 -1.671 1.00 0.00 O ATOM 262 CB LEU A 13 -3.888 10.706 -2.718 1.00 0.00 C ATOM 263 CG LEU A 13 -4.432 9.282 -2.553 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.490 9.231 -1.458 1.00 0.00 C ATOM 265 CD2 LEU A 13 -4.999 8.771 -3.876 1.00 0.00 C ATOM 0 H LEU A 13 -5.336 12.297 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.114 10.641 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.657 11.317 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.040 10.675 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.608 8.632 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.862 8.211 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.051 9.551 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.315 9.894 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.381 7.759 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.809 9.424 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.213 8.765 -4.631 1.00 0.00 H new ATOM 277 N GLN A 14 -2.551 13.614 -1.913 1.00 0.00 N ATOM 278 CA GLN A 14 -1.506 14.601 -2.176 1.00 0.00 C ATOM 279 C GLN A 14 -0.616 14.777 -0.953 1.00 0.00 C ATOM 280 O GLN A 14 0.609 14.811 -1.066 1.00 0.00 O ATOM 281 CB GLN A 14 -2.118 15.952 -2.586 1.00 0.00 C ATOM 282 CG GLN A 14 -1.434 16.596 -3.783 1.00 0.00 C ATOM 283 CD GLN A 14 -2.177 17.817 -4.288 1.00 0.00 C ATOM 284 OE1 GLN A 14 -3.095 17.708 -5.101 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.784 18.990 -3.806 1.00 0.00 N ATOM 0 H GLN A 14 -3.499 13.990 -1.924 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.897 14.234 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.174 15.808 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.067 16.636 -1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.419 16.881 -3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.353 15.865 -4.588 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.018 19.034 -3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.248 19.847 -4.108 1.00 0.00 H new ATOM 294 N GLY A 15 -1.235 14.876 0.219 1.00 0.00 N ATOM 295 CA GLY A 15 -0.475 15.032 1.443 1.00 0.00 C ATOM 296 C GLY A 15 0.536 13.918 1.619 1.00 0.00 C ATOM 297 O GLY A 15 1.700 14.168 1.929 1.00 0.00 O ATOM 0 H GLY A 15 -2.247 14.851 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.040 15.993 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.155 15.045 2.295 1.00 0.00 H new ATOM 301 N TYR A 16 0.091 12.684 1.402 1.00 0.00 N ATOM 302 CA TYR A 16 0.977 11.533 1.521 1.00 0.00 C ATOM 303 C TYR A 16 1.973 11.516 0.362 1.00 0.00 C ATOM 304 O TYR A 16 3.171 11.313 0.558 1.00 0.00 O ATOM 305 CB TYR A 16 0.169 10.229 1.548 1.00 0.00 C ATOM 306 CG TYR A 16 1.000 8.980 1.300 1.00 0.00 C ATOM 307 CD1 TYR A 16 1.909 8.526 2.249 1.00 0.00 C ATOM 308 CD2 TYR A 16 0.873 8.259 0.118 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.667 7.389 2.026 1.00 0.00 C ATOM 310 CE2 TYR A 16 1.626 7.124 -0.110 1.00 0.00 C ATOM 311 CZ TYR A 16 2.521 6.693 0.845 1.00 0.00 C ATOM 312 OH TYR A 16 3.272 5.562 0.621 1.00 0.00 O ATOM 0 H TYR A 16 -0.870 12.457 1.145 1.00 0.00 H new ATOM 0 HA TYR A 16 1.527 11.614 2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.323 10.139 2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.617 10.285 0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.026 9.069 3.175 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.174 8.592 -0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.369 7.049 2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.514 6.576 -1.034 1.00 0.00 H new ATOM 0 HH TYR A 16 3.508 5.151 1.479 1.00 0.00 H new ATOM 322 N THR A 17 1.458 11.709 -0.852 1.00 0.00 N ATOM 323 CA THR A 17 2.290 11.695 -2.051 1.00 0.00 C ATOM 324 C THR A 17 3.397 12.745 -1.995 1.00 0.00 C ATOM 325 O THR A 17 4.577 12.412 -2.046 1.00 0.00 O ATOM 326 CB THR A 17 1.429 11.917 -3.297 1.00 0.00 C ATOM 327 OG1 THR A 17 0.393 10.954 -3.366 1.00 0.00 O ATOM 328 CG2 THR A 17 2.212 11.835 -4.590 1.00 0.00 C ATOM 0 H THR A 17 0.468 11.877 -1.029 1.00 0.00 H new ATOM 0 HA THR A 17 2.764 10.715 -2.102 1.00 0.00 H new ATOM 0 HB THR A 17 1.029 12.926 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.189 11.043 -2.582 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.541 12.002 -5.433 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.993 12.596 -4.592 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.667 10.848 -4.678 1.00 0.00 H new ATOM 336 N VAL A 18 3.011 14.018 -1.891 1.00 0.00 N ATOM 337 CA VAL A 18 3.979 15.114 -1.838 1.00 0.00 C ATOM 338 C VAL A 18 5.057 14.861 -0.785 1.00 0.00 C ATOM 339 O VAL A 18 6.174 15.367 -0.895 1.00 0.00 O ATOM 340 CB VAL A 18 3.283 16.465 -1.549 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.874 16.574 -0.084 1.00 0.00 C ATOM 342 CG2 VAL A 18 4.185 17.627 -1.949 1.00 0.00 C ATOM 0 H VAL A 18 2.036 14.315 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 18 4.453 15.162 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 18 2.375 16.511 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.388 17.534 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.183 15.768 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.759 16.498 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.679 18.569 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.114 17.579 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.408 17.565 -3.014 1.00 0.00 H new ATOM 352 N GLU A 19 4.719 14.078 0.235 1.00 0.00 N ATOM 353 CA GLU A 19 5.665 13.765 1.304 1.00 0.00 C ATOM 354 C GLU A 19 6.648 12.679 0.869 1.00 0.00 C ATOM 355 O GLU A 19 7.841 12.761 1.160 1.00 0.00 O ATOM 356 CB GLU A 19 4.911 13.322 2.563 1.00 0.00 C ATOM 357 CG GLU A 19 4.382 14.479 3.395 1.00 0.00 C ATOM 358 CD GLU A 19 5.490 15.338 3.976 1.00 0.00 C ATOM 359 OE1 GLU A 19 6.665 14.918 3.908 1.00 0.00 O ATOM 360 OE2 GLU A 19 5.183 16.430 4.498 1.00 0.00 O ATOM 0 H GLU A 19 3.800 13.649 0.345 1.00 0.00 H new ATOM 0 HA GLU A 19 6.234 14.667 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.077 12.684 2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.575 12.716 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.734 15.099 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.769 14.087 4.206 1.00 0.00 H new ATOM 367 N VAL A 20 6.144 11.663 0.174 1.00 0.00 N ATOM 368 CA VAL A 20 6.989 10.565 -0.293 1.00 0.00 C ATOM 369 C VAL A 20 8.136 11.093 -1.154 1.00 0.00 C ATOM 370 O VAL A 20 9.264 10.610 -1.068 1.00 0.00 O ATOM 371 CB VAL A 20 6.155 9.499 -1.071 1.00 0.00 C ATOM 372 CG1 VAL A 20 6.207 9.710 -2.581 1.00 0.00 C ATOM 373 CG2 VAL A 20 6.610 8.089 -0.721 1.00 0.00 C ATOM 0 H VAL A 20 5.159 11.576 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 20 7.416 10.077 0.583 1.00 0.00 H new ATOM 0 HB VAL A 20 5.118 9.625 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.611 8.943 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.807 10.694 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.240 9.644 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.013 7.366 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.661 7.970 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.482 7.920 0.348 1.00 0.00 H new ATOM 383 N LEU A 21 7.836 12.090 -1.981 1.00 0.00 N ATOM 384 CA LEU A 21 8.836 12.692 -2.858 1.00 0.00 C ATOM 385 C LEU A 21 9.770 13.615 -2.080 1.00 0.00 C ATOM 386 O LEU A 21 10.988 13.542 -2.217 1.00 0.00 O ATOM 387 CB LEU A 21 8.147 13.470 -3.982 1.00 0.00 C ATOM 388 CG LEU A 21 7.199 12.632 -4.871 1.00 0.00 C ATOM 389 CD1 LEU A 21 5.781 13.192 -4.843 1.00 0.00 C ATOM 390 CD2 LEU A 21 7.705 12.562 -6.307 1.00 0.00 C ATOM 0 H LEU A 21 6.905 12.499 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 21 9.435 11.890 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.578 14.289 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.912 13.919 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 21 7.181 11.622 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.137 12.583 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.404 13.176 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.788 14.218 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.017 11.966 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.768 13.569 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.693 12.101 -6.323 1.00 0.00 H new ATOM 402 N ARG A 22 9.189 14.501 -1.278 1.00 0.00 N ATOM 403 CA ARG A 22 9.964 15.456 -0.492 1.00 0.00 C ATOM 404 C ARG A 22 10.867 14.764 0.529 1.00 0.00 C ATOM 405 O ARG A 22 11.857 15.345 0.976 1.00 0.00 O ATOM 406 CB ARG A 22 9.021 16.431 0.222 1.00 0.00 C ATOM 407 CG ARG A 22 9.704 17.700 0.726 1.00 0.00 C ATOM 408 CD ARG A 22 9.904 18.723 -0.387 1.00 0.00 C ATOM 409 NE ARG A 22 11.006 18.360 -1.273 1.00 0.00 N ATOM 410 CZ ARG A 22 12.291 18.590 -1.004 1.00 0.00 C ATOM 411 NH1 ARG A 22 12.649 19.167 0.138 1.00 0.00 N ATOM 412 NH2 ARG A 22 13.224 18.232 -1.875 1.00 0.00 N ATOM 0 H ARG A 22 8.179 14.578 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 22 10.608 16.002 -1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.218 16.710 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.558 15.920 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.105 18.143 1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.670 17.443 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.986 18.811 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.099 19.702 0.051 1.00 0.00 H new ATOM 0 HE ARG A 22 10.778 17.901 -2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.938 19.438 0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.635 19.339 0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.958 17.781 -2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.208 18.408 -1.670 1.00 0.00 H new ATOM 426 N GLN A 23 10.517 13.537 0.914 1.00 0.00 N ATOM 427 CA GLN A 23 11.299 12.789 1.904 1.00 0.00 C ATOM 428 C GLN A 23 12.058 11.629 1.264 1.00 0.00 C ATOM 429 O GLN A 23 13.182 11.322 1.661 1.00 0.00 O ATOM 430 CB GLN A 23 10.374 12.265 3.013 1.00 0.00 C ATOM 431 CG GLN A 23 11.048 12.147 4.373 1.00 0.00 C ATOM 432 CD GLN A 23 12.319 11.319 4.327 1.00 0.00 C ATOM 433 OE1 GLN A 23 13.403 11.840 4.068 1.00 0.00 O ATOM 434 NE2 GLN A 23 12.191 10.021 4.581 1.00 0.00 N ATOM 0 H GLN A 23 9.701 13.039 0.558 1.00 0.00 H new ATOM 0 HA GLN A 23 12.034 13.470 2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.515 12.930 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.992 11.287 2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.282 13.144 4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.352 11.698 5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.272 9.631 4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.011 9.415 4.566 1.00 0.00 H new ATOM 443 N GLN A 24 11.438 10.979 0.285 1.00 0.00 N ATOM 444 CA GLN A 24 12.063 9.843 -0.385 1.00 0.00 C ATOM 445 C GLN A 24 12.376 8.745 0.637 1.00 0.00 C ATOM 446 O GLN A 24 13.528 8.561 1.031 1.00 0.00 O ATOM 447 CB GLN A 24 13.348 10.277 -1.107 1.00 0.00 C ATOM 448 CG GLN A 24 13.216 11.581 -1.884 1.00 0.00 C ATOM 449 CD GLN A 24 12.429 11.427 -3.174 1.00 0.00 C ATOM 450 OE1 GLN A 24 11.821 10.385 -3.422 1.00 0.00 O ATOM 451 NE2 GLN A 24 12.437 12.468 -4.005 1.00 0.00 N ATOM 0 H GLN A 24 10.509 11.217 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 24 11.369 9.453 -1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.146 10.384 -0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.651 9.487 -1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.728 12.325 -1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.211 11.962 -2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.954 13.312 -3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.926 12.421 -4.886 1.00 0.00 H new ATOM 460 N PRO A 25 11.343 8.019 1.100 1.00 0.00 N ATOM 461 CA PRO A 25 11.498 6.959 2.102 1.00 0.00 C ATOM 462 C PRO A 25 11.921 5.616 1.501 1.00 0.00 C ATOM 463 O PRO A 25 11.853 5.425 0.287 1.00 0.00 O ATOM 464 CB PRO A 25 10.092 6.865 2.693 1.00 0.00 C ATOM 465 CG PRO A 25 9.200 7.168 1.537 1.00 0.00 C ATOM 466 CD PRO A 25 9.932 8.192 0.704 1.00 0.00 C ATOM 0 HA PRO A 25 12.283 7.185 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.895 5.874 3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.951 7.578 3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.994 6.268 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.239 7.556 1.876 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.791 8.016 -0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.579 9.202 0.910 1.00 0.00 H new ATOM 474 N PRO A 26 12.368 4.660 2.348 1.00 0.00 N ATOM 475 CA PRO A 26 12.800 3.337 1.892 1.00 0.00 C ATOM 476 C PRO A 26 11.625 2.408 1.580 1.00 0.00 C ATOM 477 O PRO A 26 11.725 1.546 0.708 1.00 0.00 O ATOM 478 CB PRO A 26 13.621 2.784 3.078 1.00 0.00 C ATOM 479 CG PRO A 26 13.664 3.879 4.099 1.00 0.00 C ATOM 480 CD PRO A 26 12.497 4.779 3.807 1.00 0.00 C ATOM 0 HA PRO A 26 13.365 3.403 0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.158 1.887 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.626 2.507 2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.597 3.472 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.603 4.429 4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.594 4.454 4.323 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.688 5.807 4.116 1.00 0.00 H new ATOM 488 N ASP A 27 10.515 2.583 2.302 1.00 0.00 N ATOM 489 CA ASP A 27 9.328 1.756 2.107 1.00 0.00 C ATOM 490 C ASP A 27 8.080 2.619 2.007 1.00 0.00 C ATOM 491 O ASP A 27 7.967 3.657 2.658 1.00 0.00 O ATOM 492 CB ASP A 27 9.183 0.753 3.256 1.00 0.00 C ATOM 493 CG ASP A 27 10.218 -0.356 3.192 1.00 0.00 C ATOM 494 OD1 ASP A 27 11.392 -0.093 3.527 1.00 0.00 O ATOM 495 OD2 ASP A 27 9.854 -1.487 2.807 1.00 0.00 O ATOM 0 H ASP A 27 10.417 3.293 3.028 1.00 0.00 H new ATOM 0 HA ASP A 27 9.445 1.208 1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.276 1.278 4.207 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.185 0.316 3.229 1.00 0.00 H new ATOM 500 N LEU A 28 7.147 2.175 1.177 1.00 0.00 N ATOM 501 CA LEU A 28 5.896 2.889 0.963 1.00 0.00 C ATOM 502 C LEU A 28 4.852 2.485 2.001 1.00 0.00 C ATOM 503 O LEU A 28 4.203 3.337 2.608 1.00 0.00 O ATOM 504 CB LEU A 28 5.376 2.606 -0.448 1.00 0.00 C ATOM 505 CG LEU A 28 6.426 2.736 -1.562 1.00 0.00 C ATOM 506 CD1 LEU A 28 5.889 2.181 -2.885 1.00 0.00 C ATOM 507 CD2 LEU A 28 6.887 4.192 -1.707 1.00 0.00 C ATOM 0 H LEU A 28 7.235 1.315 0.636 1.00 0.00 H new ATOM 0 HA LEU A 28 6.083 3.957 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.965 1.597 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.555 3.290 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 28 7.296 2.140 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.650 2.284 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.637 1.128 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.997 2.736 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.630 4.261 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.032 4.821 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.327 4.530 -0.768 1.00 0.00 H new ATOM 519 N VAL A 29 4.697 1.179 2.200 1.00 0.00 N ATOM 520 CA VAL A 29 3.732 0.660 3.165 1.00 0.00 C ATOM 521 C VAL A 29 3.930 1.295 4.539 1.00 0.00 C ATOM 522 O VAL A 29 2.963 1.625 5.225 1.00 0.00 O ATOM 523 CB VAL A 29 3.835 -0.876 3.295 1.00 0.00 C ATOM 524 CG1 VAL A 29 5.222 -1.289 3.765 1.00 0.00 C ATOM 525 CG2 VAL A 29 2.764 -1.412 4.239 1.00 0.00 C ATOM 0 H VAL A 29 5.227 0.461 1.706 1.00 0.00 H new ATOM 0 HA VAL A 29 2.741 0.918 2.791 1.00 0.00 H new ATOM 0 HB VAL A 29 3.668 -1.310 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.269 -2.375 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.967 -0.948 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.425 -0.841 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.855 -2.495 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.893 -0.967 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.777 -1.158 3.852 1.00 0.00 H new ATOM 535 N GLU A 30 5.188 1.465 4.934 1.00 0.00 N ATOM 536 CA GLU A 30 5.508 2.060 6.226 1.00 0.00 C ATOM 537 C GLU A 30 5.253 3.564 6.210 1.00 0.00 C ATOM 538 O GLU A 30 4.501 4.086 7.032 1.00 0.00 O ATOM 539 CB GLU A 30 6.968 1.784 6.587 1.00 0.00 C ATOM 540 CG GLU A 30 7.344 2.236 7.989 1.00 0.00 C ATOM 541 CD GLU A 30 6.566 1.506 9.064 1.00 0.00 C ATOM 542 OE1 GLU A 30 5.444 1.949 9.388 1.00 0.00 O ATOM 543 OE2 GLU A 30 7.078 0.492 9.582 1.00 0.00 O ATOM 0 H GLU A 30 6.001 1.199 4.378 1.00 0.00 H new ATOM 0 HA GLU A 30 4.861 1.608 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.161 0.715 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.613 2.287 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.411 2.075 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.166 3.307 8.081 1.00 0.00 H new ATOM 550 N PHE A 31 5.887 4.255 5.271 1.00 0.00 N ATOM 551 CA PHE A 31 5.736 5.702 5.146 1.00 0.00 C ATOM 552 C PHE A 31 4.268 6.125 5.142 1.00 0.00 C ATOM 553 O PHE A 31 3.937 7.243 5.537 1.00 0.00 O ATOM 554 CB PHE A 31 6.422 6.191 3.873 1.00 0.00 C ATOM 555 CG PHE A 31 6.672 7.671 3.861 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.627 8.224 4.696 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.961 8.506 3.015 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.871 9.583 4.690 1.00 0.00 C ATOM 559 CE2 PHE A 31 6.199 9.867 3.003 1.00 0.00 C ATOM 560 CZ PHE A 31 7.156 10.406 3.842 1.00 0.00 C ATOM 0 H PHE A 31 6.513 3.837 4.582 1.00 0.00 H new ATOM 0 HA PHE A 31 6.209 6.158 6.016 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.372 5.669 3.757 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.806 5.927 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.189 7.584 5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.213 8.089 2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.619 10.001 5.347 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.638 10.508 2.339 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.344 11.469 3.835 1.00 0.00 H new ATOM 570 N ALA A 32 3.394 5.235 4.687 1.00 0.00 N ATOM 571 CA ALA A 32 1.965 5.528 4.625 1.00 0.00 C ATOM 572 C ALA A 32 1.311 5.418 5.995 1.00 0.00 C ATOM 573 O ALA A 32 0.533 6.287 6.384 1.00 0.00 O ATOM 574 CB ALA A 32 1.286 4.611 3.627 1.00 0.00 C ATOM 0 H ALA A 32 3.648 4.305 4.355 1.00 0.00 H new ATOM 0 HA ALA A 32 1.846 6.559 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.221 4.839 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.724 4.760 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.425 3.574 3.933 1.00 0.00 H new ATOM 580 N VAL A 33 1.651 4.375 6.740 1.00 0.00 N ATOM 581 CA VAL A 33 1.105 4.205 8.080 1.00 0.00 C ATOM 582 C VAL A 33 1.753 5.230 9.004 1.00 0.00 C ATOM 583 O VAL A 33 1.139 5.677 9.969 1.00 0.00 O ATOM 584 CB VAL A 33 1.326 2.761 8.611 1.00 0.00 C ATOM 585 CG1 VAL A 33 2.597 2.649 9.445 1.00 0.00 C ATOM 586 CG2 VAL A 33 0.117 2.293 9.409 1.00 0.00 C ATOM 0 H VAL A 33 2.295 3.641 6.444 1.00 0.00 H new ATOM 0 HA VAL A 33 0.027 4.365 8.048 1.00 0.00 H new ATOM 0 HB VAL A 33 1.448 2.110 7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.713 1.624 9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.458 2.923 8.835 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.531 3.320 10.301 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.291 1.280 9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.040 2.960 10.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.766 2.303 8.771 1.00 0.00 H new ATOM 596 N GLU A 34 2.982 5.625 8.696 1.00 0.00 N ATOM 597 CA GLU A 34 3.671 6.622 9.500 1.00 0.00 C ATOM 598 C GLU A 34 3.043 7.996 9.278 1.00 0.00 C ATOM 599 O GLU A 34 2.927 8.797 10.206 1.00 0.00 O ATOM 600 CB GLU A 34 5.159 6.659 9.141 1.00 0.00 C ATOM 601 CG GLU A 34 5.917 5.408 9.558 1.00 0.00 C ATOM 602 CD GLU A 34 6.136 5.331 11.057 1.00 0.00 C ATOM 603 OE1 GLU A 34 5.189 4.953 11.777 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.256 5.649 11.508 1.00 0.00 O ATOM 0 H GLU A 34 3.517 5.273 7.902 1.00 0.00 H new ATOM 0 HA GLU A 34 3.573 6.353 10.552 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.261 6.794 8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.617 7.527 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.366 4.527 9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.882 5.387 9.052 1.00 0.00 H new ATOM 611 N TYR A 35 2.635 8.257 8.035 1.00 0.00 N ATOM 612 CA TYR A 35 2.011 9.529 7.674 1.00 0.00 C ATOM 613 C TYR A 35 0.535 9.591 8.082 1.00 0.00 C ATOM 614 O TYR A 35 0.085 10.591 8.642 1.00 0.00 O ATOM 615 CB TYR A 35 2.135 9.782 6.166 1.00 0.00 C ATOM 616 CG TYR A 35 1.327 10.973 5.691 1.00 0.00 C ATOM 617 CD1 TYR A 35 -0.036 10.851 5.442 1.00 0.00 C ATOM 618 CD2 TYR A 35 1.917 12.219 5.508 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.785 11.934 5.027 1.00 0.00 C ATOM 620 CE2 TYR A 35 1.173 13.306 5.090 1.00 0.00 C ATOM 621 CZ TYR A 35 -0.177 13.158 4.852 1.00 0.00 C ATOM 622 OH TYR A 35 -0.926 14.239 4.445 1.00 0.00 O ATOM 0 H TYR A 35 2.726 7.601 7.259 1.00 0.00 H new ATOM 0 HA TYR A 35 2.543 10.306 8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.184 9.940 5.916 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.809 8.892 5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.516 9.893 5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.974 12.339 5.696 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.843 11.822 4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.647 14.267 4.950 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.349 15.027 4.370 1.00 0.00 H new ATOM 632 N PHE A 36 -0.224 8.537 7.778 1.00 0.00 N ATOM 633 CA PHE A 36 -1.650 8.511 8.095 1.00 0.00 C ATOM 634 C PHE A 36 -1.896 8.493 9.602 1.00 0.00 C ATOM 635 O PHE A 36 -2.670 9.300 10.114 1.00 0.00 O ATOM 636 CB PHE A 36 -2.331 7.312 7.419 1.00 0.00 C ATOM 637 CG PHE A 36 -2.888 7.632 6.053 1.00 0.00 C ATOM 638 CD1 PHE A 36 -4.043 8.386 5.930 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.257 7.186 4.900 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.560 8.691 4.685 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.772 7.487 3.653 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.924 8.241 3.545 1.00 0.00 C ATOM 0 H PHE A 36 0.123 7.696 7.316 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.090 9.429 7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.612 6.498 7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.138 6.954 8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.546 8.740 6.818 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.355 6.598 4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.461 9.281 4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.273 7.132 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.326 8.478 2.571 1.00 0.00 H new ATOM 652 N THR A 37 -1.246 7.575 10.313 1.00 0.00 N ATOM 653 CA THR A 37 -1.428 7.480 11.760 1.00 0.00 C ATOM 654 C THR A 37 -1.197 8.832 12.428 1.00 0.00 C ATOM 655 O THR A 37 -2.047 9.311 13.179 1.00 0.00 O ATOM 656 CB THR A 37 -0.498 6.428 12.367 1.00 0.00 C ATOM 657 OG1 THR A 37 0.857 6.741 12.106 1.00 0.00 O ATOM 658 CG2 THR A 37 -0.757 5.022 11.860 1.00 0.00 C ATOM 0 H THR A 37 -0.597 6.895 9.918 1.00 0.00 H new ATOM 0 HA THR A 37 -2.458 7.173 11.941 1.00 0.00 H new ATOM 0 HB THR A 37 -0.707 6.449 13.437 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.038 6.638 11.148 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.060 4.330 12.334 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.779 4.730 12.102 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.618 4.994 10.779 1.00 0.00 H new ATOM 666 N ARG A 38 -0.052 9.450 12.150 1.00 0.00 N ATOM 667 CA ARG A 38 0.267 10.754 12.731 1.00 0.00 C ATOM 668 C ARG A 38 -0.887 11.730 12.504 1.00 0.00 C ATOM 669 O ARG A 38 -1.432 12.297 13.450 1.00 0.00 O ATOM 670 CB ARG A 38 1.570 11.317 12.125 1.00 0.00 C ATOM 671 CG ARG A 38 2.703 11.486 13.132 1.00 0.00 C ATOM 672 CD ARG A 38 3.400 10.165 13.428 1.00 0.00 C ATOM 673 NE ARG A 38 2.544 9.244 14.172 1.00 0.00 N ATOM 674 CZ ARG A 38 2.260 9.370 15.467 1.00 0.00 C ATOM 675 NH1 ARG A 38 2.752 10.383 16.170 1.00 0.00 N ATOM 676 NH2 ARG A 38 1.480 8.479 16.063 1.00 0.00 N ATOM 0 H ARG A 38 0.666 9.074 11.531 1.00 0.00 H new ATOM 0 HA ARG A 38 0.414 10.626 13.803 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.903 10.653 11.327 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.358 12.283 11.668 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.429 12.201 12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.307 11.903 14.058 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.704 9.699 12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.309 10.356 13.999 1.00 0.00 H new ATOM 0 HE ARG A 38 2.139 8.455 13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.353 11.073 15.719 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.529 10.472 17.161 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.098 7.698 15.530 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.262 8.575 17.055 1.00 0.00 H new ATOM 690 N LEU A 39 -1.259 11.907 11.238 1.00 0.00 N ATOM 691 CA LEU A 39 -2.356 12.800 10.879 1.00 0.00 C ATOM 692 C LEU A 39 -3.634 12.392 11.610 1.00 0.00 C ATOM 693 O LEU A 39 -4.279 13.211 12.265 1.00 0.00 O ATOM 694 CB LEU A 39 -2.578 12.781 9.359 1.00 0.00 C ATOM 695 CG LEU A 39 -3.163 14.067 8.768 1.00 0.00 C ATOM 696 CD1 LEU A 39 -3.101 14.033 7.247 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.596 14.269 9.240 1.00 0.00 C ATOM 0 H LEU A 39 -0.816 11.443 10.445 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.095 13.814 11.181 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.625 12.577 8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.244 11.953 9.116 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.565 14.908 9.117 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.521 14.955 6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.063 13.937 6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.674 13.182 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.995 15.188 8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.207 13.424 8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.614 14.340 10.328 1.00 0.00 H new ATOM 709 N ARG A 40 -3.984 11.114 11.498 1.00 0.00 N ATOM 710 CA ARG A 40 -5.175 10.573 12.148 1.00 0.00 C ATOM 711 C ARG A 40 -5.229 10.973 13.622 1.00 0.00 C ATOM 712 O ARG A 40 -6.206 11.561 14.083 1.00 0.00 O ATOM 713 CB ARG A 40 -5.190 9.043 12.018 1.00 0.00 C ATOM 714 CG ARG A 40 -6.578 8.432 12.044 1.00 0.00 C ATOM 715 CD ARG A 40 -7.412 8.976 13.186 1.00 0.00 C ATOM 716 NE ARG A 40 -8.655 8.231 13.338 1.00 0.00 N ATOM 717 CZ ARG A 40 -8.785 7.124 14.070 1.00 0.00 C ATOM 718 NH1 ARG A 40 -7.740 6.603 14.703 1.00 0.00 N ATOM 719 NH2 ARG A 40 -9.966 6.525 14.154 1.00 0.00 N ATOM 0 H ARG A 40 -3.455 10.428 10.959 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.053 10.988 11.653 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.699 8.764 11.086 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.601 8.615 12.829 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.081 8.633 11.098 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.497 7.349 12.137 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.840 8.926 14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.636 10.028 13.006 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.481 8.580 12.852 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.826 7.050 14.632 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.852 5.756 15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.770 6.911 13.660 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.070 5.678 14.713 1.00 0.00 H new ATOM 963 N PRO B 7 8.977 4.113 -8.119 1.00 0.00 N ATOM 964 CA PRO B 7 8.242 3.028 -8.782 1.00 0.00 C ATOM 965 C PRO B 7 7.458 2.154 -7.802 1.00 0.00 C ATOM 966 O PRO B 7 7.921 1.866 -6.699 1.00 0.00 O ATOM 967 CB PRO B 7 9.357 2.224 -9.453 1.00 0.00 C ATOM 968 CG PRO B 7 10.397 3.239 -9.776 1.00 0.00 C ATOM 969 CD PRO B 7 10.345 4.257 -8.663 1.00 0.00 C ATOM 0 HA PRO B 7 7.486 3.406 -9.471 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.746 1.452 -8.789 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.000 1.721 -10.351 1.00 0.00 H new ATOM 0 HG2 PRO B 7 11.384 2.780 -9.839 1.00 0.00 H new ATOM 0 HG3 PRO B 7 10.200 3.706 -10.741 1.00 0.00 H new ATOM 0 HD2 PRO B 7 11.101 4.058 -7.903 1.00 0.00 H new ATOM 0 HD3 PRO B 7 10.524 5.266 -9.035 1.00 0.00 H new ATOM 977 N GLY B 8 6.265 1.733 -8.223 1.00 0.00 N ATOM 978 CA GLY B 8 5.426 0.893 -7.380 1.00 0.00 C ATOM 979 C GLY B 8 4.457 1.694 -6.529 1.00 0.00 C ATOM 980 O GLY B 8 3.366 1.221 -6.210 1.00 0.00 O ATOM 0 H GLY B 8 5.864 1.959 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.865 0.202 -8.008 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.060 0.290 -6.730 1.00 0.00 H new ATOM 984 N LEU B 9 4.855 2.907 -6.162 1.00 0.00 N ATOM 985 CA LEU B 9 4.018 3.778 -5.342 1.00 0.00 C ATOM 986 C LEU B 9 2.659 4.001 -5.995 1.00 0.00 C ATOM 987 O LEU B 9 1.628 3.964 -5.324 1.00 0.00 O ATOM 988 CB LEU B 9 4.728 5.119 -5.122 1.00 0.00 C ATOM 989 CG LEU B 9 4.087 6.074 -4.096 1.00 0.00 C ATOM 990 CD1 LEU B 9 2.902 6.823 -4.699 1.00 0.00 C ATOM 991 CD2 LEU B 9 3.665 5.325 -2.838 1.00 0.00 C ATOM 0 H LEU B 9 5.755 3.311 -6.420 1.00 0.00 H new ATOM 0 HA LEU B 9 3.853 3.295 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.751 4.916 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.786 5.636 -6.080 1.00 0.00 H new ATOM 0 HG LEU B 9 4.842 6.809 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU B 9 2.472 7.488 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU B 9 3.239 7.409 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU B 9 2.147 6.108 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU B 9 3.216 6.024 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.938 4.556 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU B 9 4.538 4.859 -2.382 1.00 0.00 H new ATOM 1003 N THR B 10 2.654 4.222 -7.305 1.00 0.00 N ATOM 1004 CA THR B 10 1.406 4.439 -8.028 1.00 0.00 C ATOM 1005 C THR B 10 0.414 3.314 -7.741 1.00 0.00 C ATOM 1006 O THR B 10 -0.783 3.551 -7.580 1.00 0.00 O ATOM 1007 CB THR B 10 1.661 4.539 -9.534 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.547 5.606 -9.822 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.397 4.759 -10.343 1.00 0.00 C ATOM 0 H THR B 10 3.493 4.256 -7.884 1.00 0.00 H new ATOM 0 HA THR B 10 0.978 5.380 -7.683 1.00 0.00 H new ATOM 0 HB THR B 10 2.092 3.579 -9.819 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.699 5.653 -10.789 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.649 4.821 -11.402 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.288 3.927 -10.181 1.00 0.00 H new ATOM 0 HG23 THR B 10 -0.079 5.688 -10.029 1.00 0.00 H new ATOM 1017 N GLU B 11 0.925 2.088 -7.678 1.00 0.00 N ATOM 1018 CA GLU B 11 0.090 0.921 -7.412 1.00 0.00 C ATOM 1019 C GLU B 11 -0.468 0.953 -5.991 1.00 0.00 C ATOM 1020 O GLU B 11 -1.651 0.687 -5.777 1.00 0.00 O ATOM 1021 CB GLU B 11 0.896 -0.362 -7.631 1.00 0.00 C ATOM 1022 CG GLU B 11 0.034 -1.609 -7.738 1.00 0.00 C ATOM 1023 CD GLU B 11 -0.736 -1.674 -9.043 1.00 0.00 C ATOM 1024 OE1 GLU B 11 -0.111 -1.502 -10.111 1.00 0.00 O ATOM 1025 OE2 GLU B 11 -1.965 -1.895 -8.997 1.00 0.00 O ATOM 0 H GLU B 11 1.914 1.877 -7.808 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.750 0.941 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.487 -0.259 -8.541 1.00 0.00 H new ATOM 0 HB3 GLU B 11 1.599 -0.485 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU B 11 0.666 -2.492 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -0.668 -1.634 -6.904 1.00 0.00 H new ATOM 1032 N LEU B 12 0.385 1.275 -5.020 1.00 0.00 N ATOM 1033 CA LEU B 12 -0.034 1.335 -3.619 1.00 0.00 C ATOM 1034 C LEU B 12 -1.244 2.253 -3.454 1.00 0.00 C ATOM 1035 O LEU B 12 -2.265 1.848 -2.895 1.00 0.00 O ATOM 1036 CB LEU B 12 1.127 1.808 -2.729 1.00 0.00 C ATOM 1037 CG LEU B 12 2.029 0.696 -2.170 1.00 0.00 C ATOM 1038 CD1 LEU B 12 1.346 -0.032 -1.020 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.424 -0.286 -3.265 1.00 0.00 C ATOM 0 H LEU B 12 1.368 1.498 -5.176 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.323 0.331 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.745 2.498 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.714 2.372 -1.892 1.00 0.00 H new ATOM 0 HG LEU B 12 2.936 1.163 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.005 -0.814 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU B 12 1.127 0.676 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.417 -0.480 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU B 12 3.062 -1.063 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.528 -0.741 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU B 12 2.966 0.242 -4.050 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.139 3.481 -3.954 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.244 4.428 -3.867 1.00 0.00 C ATOM 1053 C LEU B 13 -3.459 3.870 -4.598 1.00 0.00 C ATOM 1054 O LEU B 13 -4.595 4.039 -4.158 1.00 0.00 O ATOM 1055 CB LEU B 13 -1.848 5.782 -4.471 1.00 0.00 C ATOM 1056 CG LEU B 13 -0.794 6.572 -3.685 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.283 7.748 -4.515 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -1.357 7.054 -2.344 1.00 0.00 C ATOM 0 H LEU B 13 -0.306 3.841 -4.420 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.490 4.578 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.473 5.614 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.744 6.396 -4.562 1.00 0.00 H new ATOM 0 HG LEU B 13 0.045 5.909 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.464 8.299 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.166 7.376 -5.436 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -1.114 8.410 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.590 7.611 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -2.217 7.700 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.665 6.194 -1.749 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.207 3.197 -5.715 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.277 2.605 -6.506 1.00 0.00 C ATOM 1072 C GLN B 14 -4.963 1.480 -5.737 1.00 0.00 C ATOM 1073 O GLN B 14 -6.190 1.401 -5.699 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.731 2.073 -7.837 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.797 1.933 -8.921 1.00 0.00 C ATOM 1076 CD GLN B 14 -4.512 0.808 -9.900 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -3.240 0.599 -10.216 1.00 0.00 O flip ATOM 1078 NE2 GLN B 14 -5.430 0.134 -10.368 1.00 0.00 N flip ATOM 0 H GLN B 14 -2.271 3.048 -6.092 1.00 0.00 H new ATOM 0 HA GLN B 14 -5.013 3.383 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -2.948 2.743 -8.193 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -3.267 1.101 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.764 1.759 -8.450 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.874 2.872 -9.469 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -6.394 0.328 -10.098 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -5.226 -0.619 -11.026 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.161 0.613 -5.123 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.700 -0.501 -4.360 1.00 0.00 C ATOM 1089 C GLY B 15 -5.712 -0.061 -3.319 1.00 0.00 C ATOM 1090 O GLY B 15 -6.697 -0.754 -3.063 1.00 0.00 O ATOM 0 H GLY B 15 -3.142 0.663 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.171 -1.209 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.883 -1.028 -3.867 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.461 1.094 -2.713 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.346 1.639 -1.689 1.00 0.00 C ATOM 1096 C TYR B 16 -7.557 2.317 -2.323 1.00 0.00 C ATOM 1097 O TYR B 16 -8.688 2.137 -1.872 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.580 2.640 -0.816 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.460 3.464 0.106 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -7.028 2.899 1.240 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -6.718 4.807 -0.156 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.826 3.644 2.085 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.516 5.558 0.688 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.067 4.971 1.806 1.00 0.00 C ATOM 1105 OH TYR B 16 -8.861 5.717 2.647 1.00 0.00 O ATOM 0 H TYR B 16 -4.647 1.674 -2.915 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.701 0.817 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.851 2.097 -0.214 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.019 3.315 -1.463 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.842 1.859 1.465 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.288 5.270 -1.032 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.260 3.188 2.962 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.706 6.599 0.472 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.928 6.633 2.306 1.00 0.00 H new ATOM 1115 N THR B 17 -7.308 3.118 -3.352 1.00 0.00 N ATOM 1116 CA THR B 17 -8.375 3.848 -4.025 1.00 0.00 C ATOM 1117 C THR B 17 -9.412 2.914 -4.659 1.00 0.00 C ATOM 1118 O THR B 17 -10.579 3.273 -4.781 1.00 0.00 O ATOM 1119 CB THR B 17 -7.795 4.802 -5.073 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.589 5.376 -4.605 1.00 0.00 O ATOM 1121 CG2 THR B 17 -8.734 5.940 -5.437 1.00 0.00 C ATOM 0 H THR B 17 -6.378 3.278 -3.738 1.00 0.00 H new ATOM 0 HA THR B 17 -8.894 4.431 -3.264 1.00 0.00 H new ATOM 0 HB THR B 17 -7.629 4.193 -5.962 1.00 0.00 H new ATOM 0 HG1 THR B 17 -5.842 4.773 -4.801 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.261 6.577 -6.184 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.660 5.532 -5.842 1.00 0.00 H new ATOM 0 HG23 THR B 17 -8.956 6.528 -4.546 1.00 0.00 H new ATOM 1129 N VAL B 18 -8.997 1.720 -5.067 1.00 0.00 N ATOM 1130 CA VAL B 18 -9.941 0.780 -5.674 1.00 0.00 C ATOM 1131 C VAL B 18 -10.910 0.249 -4.621 1.00 0.00 C ATOM 1132 O VAL B 18 -12.047 -0.104 -4.928 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.238 -0.412 -6.366 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.475 0.053 -7.600 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.313 -1.146 -5.403 1.00 0.00 C ATOM 0 H VAL B 18 -8.037 1.382 -4.993 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.482 1.335 -6.440 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.010 -1.113 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -7.989 -0.802 -8.070 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.169 0.510 -8.306 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.721 0.784 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -7.835 -1.978 -5.920 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.550 -0.459 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -8.892 -1.527 -4.562 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.443 0.204 -3.374 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.257 -0.275 -2.261 1.00 0.00 C ATOM 1147 C GLU B 19 -12.229 0.807 -1.791 1.00 0.00 C ATOM 1148 O GLU B 19 -13.417 0.545 -1.603 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.363 -0.739 -1.101 1.00 0.00 C ATOM 1150 CG GLU B 19 -10.948 -1.898 -0.307 1.00 0.00 C ATOM 1151 CD GLU B 19 -10.049 -2.341 0.832 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -10.139 -1.747 1.926 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -9.256 -3.284 0.629 1.00 0.00 O ATOM 0 H GLU B 19 -9.502 0.495 -3.110 1.00 0.00 H new ATOM 0 HA GLU B 19 -11.841 -1.127 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -9.392 -1.035 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -10.190 0.101 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -11.918 -1.605 0.094 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -11.121 -2.741 -0.976 1.00 0.00 H new ATOM 1160 N VAL B 20 -11.719 2.026 -1.600 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.555 3.137 -1.150 1.00 0.00 C ATOM 1162 C VAL B 20 -13.778 3.293 -2.054 1.00 0.00 C ATOM 1163 O VAL B 20 -14.894 3.482 -1.578 1.00 0.00 O ATOM 1164 CB VAL B 20 -11.761 4.470 -1.090 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -11.519 5.046 -2.474 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -12.478 5.485 -0.218 1.00 0.00 C ATOM 0 H VAL B 20 -10.739 2.266 -1.749 1.00 0.00 H new ATOM 0 HA VAL B 20 -12.888 2.902 -0.139 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.790 4.247 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -10.961 5.978 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -10.947 4.334 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.475 5.240 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.904 6.411 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -13.468 5.684 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -12.578 5.090 0.793 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.556 3.209 -3.359 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.638 3.335 -4.328 1.00 0.00 C ATOM 1178 C LEU B 21 -15.684 2.239 -4.115 1.00 0.00 C ATOM 1179 O LEU B 21 -16.884 2.508 -4.067 1.00 0.00 O ATOM 1180 CB LEU B 21 -14.086 3.265 -5.763 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.832 4.614 -6.445 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -13.004 5.526 -5.553 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -13.145 4.407 -7.790 1.00 0.00 C ATOM 0 H LEU B 21 -12.636 3.054 -3.772 1.00 0.00 H new ATOM 0 HA LEU B 21 -15.115 4.304 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.151 2.706 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -14.786 2.696 -6.374 1.00 0.00 H new ATOM 0 HG LEU B 21 -14.794 5.097 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -12.837 6.477 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -13.536 5.701 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -12.044 5.055 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -12.971 5.374 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -12.192 3.901 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -13.780 3.798 -8.433 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.212 1.000 -4.010 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.094 -0.155 -3.827 1.00 0.00 C ATOM 1197 C ARG B 22 -16.754 -0.191 -2.444 1.00 0.00 C ATOM 1198 O ARG B 22 -17.791 -0.832 -2.273 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.311 -1.453 -4.031 1.00 0.00 C ATOM 1200 CG ARG B 22 -14.789 -1.646 -5.442 1.00 0.00 C ATOM 1201 CD ARG B 22 -13.933 -2.899 -5.541 1.00 0.00 C ATOM 1202 NE ARG B 22 -12.670 -2.752 -4.819 1.00 0.00 N ATOM 1203 CZ ARG B 22 -11.962 -3.769 -4.332 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -12.366 -5.022 -4.505 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -10.835 -3.532 -3.673 1.00 0.00 N ATOM 0 H ARG B 22 -14.220 0.767 -4.048 1.00 0.00 H new ATOM 0 HA ARG B 22 -16.884 -0.058 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -14.470 -1.470 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -15.952 -2.296 -3.774 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -15.626 -1.718 -6.136 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -14.202 -0.776 -5.738 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -14.485 -3.749 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -13.729 -3.118 -6.589 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.308 -1.809 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.228 -5.214 -5.016 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.815 -5.792 -4.127 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -10.514 -2.573 -3.541 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -10.290 -4.309 -3.299 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.146 0.462 -1.454 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.686 0.455 -0.090 1.00 0.00 C ATOM 1221 C GLN B 23 -17.423 1.747 0.231 1.00 0.00 C ATOM 1222 O GLN B 23 -18.518 1.727 0.791 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.555 0.237 0.919 1.00 0.00 C ATOM 1224 CG GLN B 23 -16.040 -0.211 2.289 1.00 0.00 C ATOM 1225 CD GLN B 23 -16.479 -1.663 2.307 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -15.685 -2.561 2.591 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -17.749 -1.902 1.999 1.00 0.00 N ATOM 0 H GLN B 23 -15.286 0.999 -1.567 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.402 -0.364 -0.021 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -14.866 -0.510 0.524 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -14.992 1.164 1.027 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -15.242 -0.068 3.017 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -16.873 0.420 2.600 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -18.373 -1.128 1.770 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -18.100 -2.859 1.992 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.806 2.866 -0.119 1.00 0.00 N ATOM 1237 CA GLN B 24 -17.383 4.179 0.134 1.00 0.00 C ATOM 1238 C GLN B 24 -17.508 4.432 1.638 1.00 0.00 C ATOM 1239 O GLN B 24 -18.609 4.436 2.187 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.753 4.313 -0.540 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.756 3.918 -2.010 1.00 0.00 C ATOM 1242 CD GLN B 24 -18.055 4.936 -2.890 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -17.421 5.869 -2.398 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -18.167 4.760 -4.202 1.00 0.00 N ATOM 0 H GLN B 24 -15.898 2.891 -0.583 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.715 4.927 -0.292 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.473 3.693 -0.005 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -19.092 5.345 -0.450 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -18.269 2.949 -2.123 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -19.785 3.799 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -18.703 3.972 -4.567 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -17.717 5.412 -4.844 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.370 4.640 2.325 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.342 4.887 3.768 1.00 0.00 C ATOM 1255 C PRO B 25 -16.601 6.354 4.113 1.00 0.00 C ATOM 1256 O PRO B 25 -16.517 7.227 3.249 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.916 4.483 4.140 1.00 0.00 C ATOM 1258 CG PRO B 25 -14.111 4.847 2.940 1.00 0.00 C ATOM 1259 CD PRO B 25 -15.014 4.645 1.746 1.00 0.00 C ATOM 0 HA PRO B 25 -17.117 4.340 4.305 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.570 5.013 5.028 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.847 3.417 4.358 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.770 5.881 2.999 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -13.221 4.222 2.865 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.895 5.444 1.015 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.795 3.709 1.233 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.929 6.649 5.387 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.207 8.017 5.832 1.00 0.00 C ATOM 1269 C PRO B 26 -15.942 8.859 6.012 1.00 0.00 C ATOM 1270 O PRO B 26 -15.989 10.084 5.905 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.910 7.803 7.174 1.00 0.00 C ATOM 1272 CG PRO B 26 -17.320 6.540 7.697 1.00 0.00 C ATOM 1273 CD PRO B 26 -17.068 5.673 6.490 1.00 0.00 C ATOM 0 HA PRO B 26 -17.796 8.571 5.101 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -17.733 8.637 7.854 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.989 7.717 7.049 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -16.394 6.736 8.238 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -18.000 6.051 8.395 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -16.167 5.071 6.609 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.892 4.982 6.313 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.813 8.202 6.294 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.546 8.904 6.495 1.00 0.00 C ATOM 1283 C ASP B 27 -12.423 8.249 5.703 1.00 0.00 C ATOM 1284 O ASP B 27 -12.301 7.025 5.667 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.193 8.937 7.985 1.00 0.00 C ATOM 1286 CG ASP B 27 -14.079 9.886 8.768 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -13.936 11.114 8.592 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -14.915 9.400 9.559 1.00 0.00 O ATOM 0 H ASP B 27 -14.752 7.188 6.388 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.663 9.925 6.133 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.285 7.933 8.400 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.152 9.236 8.102 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.603 9.083 5.071 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.479 8.607 4.275 1.00 0.00 C ATOM 1295 C LEU B 28 -9.272 8.324 5.166 1.00 0.00 C ATOM 1296 O LEU B 28 -8.610 7.296 5.024 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.113 9.641 3.203 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.080 9.738 2.017 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -10.941 8.527 1.107 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -12.517 9.879 2.500 1.00 0.00 C ATOM 0 H LEU B 28 -11.698 10.098 5.096 1.00 0.00 H new ATOM 0 HA LEU B 28 -10.773 7.679 3.785 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.048 10.621 3.676 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.120 9.405 2.820 1.00 0.00 H new ATOM 0 HG LEU B 28 -10.822 10.629 1.445 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.636 8.617 0.273 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -9.921 8.474 0.725 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -11.165 7.621 1.670 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -13.185 9.946 1.641 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -12.786 9.011 3.101 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -12.611 10.782 3.104 1.00 0.00 H new ATOM 1312 N VAL B 29 -8.991 9.245 6.083 1.00 0.00 N ATOM 1313 CA VAL B 29 -7.863 9.094 6.994 1.00 0.00 C ATOM 1314 C VAL B 29 -7.996 7.819 7.824 1.00 0.00 C ATOM 1315 O VAL B 29 -7.014 7.117 8.064 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.725 10.314 7.932 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -8.855 10.354 8.954 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -6.368 10.308 8.623 1.00 0.00 C ATOM 0 H VAL B 29 -9.528 10.102 6.214 1.00 0.00 H new ATOM 0 HA VAL B 29 -6.964 9.026 6.381 1.00 0.00 H new ATOM 0 HB VAL B 29 -7.796 11.216 7.324 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -8.731 11.223 9.600 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -9.812 10.420 8.436 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -8.832 9.447 9.558 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -6.290 11.175 9.279 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -6.264 9.397 9.212 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -5.578 10.348 7.873 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.221 7.520 8.251 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.483 6.323 9.044 1.00 0.00 C ATOM 1330 C GLU B 30 -9.362 5.076 8.177 1.00 0.00 C ATOM 1331 O GLU B 30 -8.590 4.167 8.478 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.881 6.386 9.665 1.00 0.00 C ATOM 1333 CG GLU B 30 -11.078 7.557 10.613 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.534 7.777 10.978 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -13.376 6.937 10.596 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -12.834 8.791 11.643 1.00 0.00 O ATOM 0 H GLU B 30 -10.046 8.089 8.061 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.743 6.275 9.843 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -11.621 6.448 8.867 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.071 5.458 10.204 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.502 7.384 11.522 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.682 8.462 10.153 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.130 5.043 7.095 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.109 3.913 6.176 1.00 0.00 C ATOM 1345 C PHE B 31 -8.692 3.637 5.674 1.00 0.00 C ATOM 1346 O PHE B 31 -8.348 2.502 5.343 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.039 4.188 4.995 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.257 2.995 4.107 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.845 1.845 4.608 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -10.882 3.025 2.772 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.053 0.748 3.797 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.089 1.929 1.957 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.675 0.789 2.470 1.00 0.00 C ATOM 0 H PHE B 31 -10.776 5.787 6.833 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.456 3.030 6.712 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -12.003 4.528 5.374 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.625 5.002 4.400 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.144 1.807 5.645 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.423 3.914 2.365 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.512 -0.143 4.201 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.793 1.964 0.919 1.00 0.00 H new ATOM 0 HZ PHE B 31 -11.837 -0.069 1.834 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.877 4.686 5.614 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.497 4.568 5.150 1.00 0.00 C ATOM 1365 C ALA B 32 -5.579 3.994 6.224 1.00 0.00 C ATOM 1366 O ALA B 32 -4.829 3.051 5.970 1.00 0.00 O ATOM 1367 CB ALA B 32 -5.982 5.924 4.691 1.00 0.00 C ATOM 0 H ALA B 32 -8.149 5.632 5.882 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.492 3.873 4.310 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -4.952 5.825 4.347 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.603 6.292 3.875 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -6.021 6.628 5.522 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.622 4.578 7.416 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.768 4.129 8.510 1.00 0.00 C ATOM 1375 C VAL B 33 -4.979 2.647 8.824 1.00 0.00 C ATOM 1376 O VAL B 33 -4.035 1.937 9.159 1.00 0.00 O ATOM 1377 CB VAL B 33 -4.965 4.989 9.787 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -6.068 4.432 10.683 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -3.652 5.114 10.557 1.00 0.00 C ATOM 0 H VAL B 33 -6.235 5.359 7.649 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.739 4.258 8.174 1.00 0.00 H new ATOM 0 HB VAL B 33 -5.278 5.983 9.468 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.173 5.063 11.565 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -7.009 4.416 10.134 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -5.810 3.419 10.991 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -3.810 5.720 11.449 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.305 4.123 10.849 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.903 5.589 9.924 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.222 2.183 8.712 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.542 0.783 8.987 1.00 0.00 C ATOM 1391 C GLU B 34 -6.136 -0.112 7.819 1.00 0.00 C ATOM 1392 O GLU B 34 -5.692 -1.243 8.014 1.00 0.00 O ATOM 1393 CB GLU B 34 -8.038 0.621 9.283 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.941 0.895 8.087 1.00 0.00 C ATOM 1395 CD GLU B 34 -9.003 -0.269 7.113 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -8.547 -1.374 7.476 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -9.508 -0.072 5.988 1.00 0.00 O ATOM 0 H GLU B 34 -7.021 2.753 8.434 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.975 0.476 9.866 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.220 -0.394 9.637 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.312 1.296 10.094 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -9.947 1.119 8.442 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.583 1.781 7.563 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.288 0.404 6.603 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.935 -0.343 5.399 1.00 0.00 C ATOM 1406 C TYR B 35 -4.434 -0.621 5.354 1.00 0.00 C ATOM 1407 O TYR B 35 -4.016 -1.735 5.041 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.364 0.441 4.153 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.969 -0.206 2.837 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.653 -0.169 2.387 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -6.913 -0.847 2.041 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -4.292 -0.750 1.185 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -6.558 -1.431 0.838 1.00 0.00 C ATOM 1414 CZ TYR B 35 -5.248 -1.378 0.416 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.891 -1.958 -0.780 1.00 0.00 O ATOM 0 H TYR B 35 -6.654 1.339 6.425 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.459 -1.298 5.419 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.447 0.565 4.172 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.928 1.439 4.199 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -3.901 0.322 2.987 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -7.941 -0.889 2.368 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -3.266 -0.712 0.850 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -7.304 -1.926 0.233 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.645 -1.911 -1.404 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.624 0.390 5.655 1.00 0.00 N ATOM 1426 CA PHE B 36 -2.172 0.230 5.631 1.00 0.00 C ATOM 1427 C PHE B 36 -1.689 -0.675 6.766 1.00 0.00 C ATOM 1428 O PHE B 36 -0.823 -1.525 6.557 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.485 1.602 5.688 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.361 2.254 4.335 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.408 1.815 3.431 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.202 3.292 3.963 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.293 2.399 2.184 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.093 3.878 2.715 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.137 3.430 1.824 1.00 0.00 C ATOM 0 H PHE B 36 -3.944 1.322 5.917 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.900 -0.255 4.693 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -2.049 2.258 6.351 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.492 1.487 6.123 1.00 0.00 H new ATOM 0 HD1 PHE B 36 0.253 1.006 3.704 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -2.951 3.647 4.656 1.00 0.00 H new ATOM 0 HE1 PHE B 36 0.457 2.049 1.491 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -2.755 4.685 2.437 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.050 3.885 0.848 1.00 0.00 H new ATOM 1445 N THR B 37 -2.252 -0.503 7.960 1.00 0.00 N ATOM 1446 CA THR B 37 -1.862 -1.331 9.102 1.00 0.00 C ATOM 1447 C THR B 37 -2.149 -2.801 8.806 1.00 0.00 C ATOM 1448 O THR B 37 -1.359 -3.683 9.141 1.00 0.00 O ATOM 1449 CB THR B 37 -2.605 -0.898 10.370 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.991 -0.763 10.118 1.00 0.00 O ATOM 1451 CG2 THR B 37 -2.112 0.413 10.943 1.00 0.00 C ATOM 0 H THR B 37 -2.970 0.192 8.162 1.00 0.00 H new ATOM 0 HA THR B 37 -0.793 -1.201 9.269 1.00 0.00 H new ATOM 0 HB THR B 37 -2.409 -1.686 11.097 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.174 -0.966 9.177 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.683 0.656 11.839 1.00 0.00 H new ATOM 0 HG22 THR B 37 -1.056 0.324 11.199 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.241 1.204 10.204 1.00 0.00 H new ATOM 1459 N ARG B 38 -3.288 -3.049 8.166 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.689 -4.405 7.811 1.00 0.00 C ATOM 1461 C ARG B 38 -2.631 -5.056 6.922 1.00 0.00 C ATOM 1462 O ARG B 38 -2.292 -6.226 7.098 1.00 0.00 O ATOM 1463 CB ARG B 38 -5.044 -4.389 7.100 1.00 0.00 C ATOM 1464 CG ARG B 38 -5.731 -5.745 7.073 1.00 0.00 C ATOM 1465 CD ARG B 38 -7.176 -5.631 6.612 1.00 0.00 C ATOM 1466 NE ARG B 38 -7.905 -6.887 6.772 1.00 0.00 N ATOM 1467 CZ ARG B 38 -7.759 -7.944 5.973 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -6.913 -7.905 4.950 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -8.464 -9.044 6.198 1.00 0.00 N ATOM 0 H ARG B 38 -3.950 -2.327 7.883 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.783 -4.991 8.725 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.697 -3.670 7.595 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.904 -4.041 6.077 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.188 -6.416 6.407 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -5.700 -6.189 8.068 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -7.677 -4.847 7.180 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.199 -5.330 5.565 1.00 0.00 H new ATOM 0 HE ARG B 38 -8.568 -6.960 7.544 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -6.368 -7.061 4.770 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -6.808 -8.719 4.344 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.116 -9.080 6.981 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -8.354 -9.854 5.588 1.00 0.00 H new ATOM 1483 N LEU B 39 -2.122 -4.289 5.964 1.00 0.00 N ATOM 1484 CA LEU B 39 -1.111 -4.784 5.043 1.00 0.00 C ATOM 1485 C LEU B 39 0.209 -5.039 5.770 1.00 0.00 C ATOM 1486 O LEU B 39 0.748 -6.144 5.725 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.912 -3.782 3.904 1.00 0.00 C ATOM 1488 CG LEU B 39 0.294 -4.047 3.005 1.00 0.00 C ATOM 1489 CD1 LEU B 39 0.251 -5.464 2.457 1.00 0.00 C ATOM 1490 CD2 LEU B 39 0.344 -3.035 1.870 1.00 0.00 C ATOM 0 H LEU B 39 -2.396 -3.319 5.807 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.453 -5.731 4.626 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.810 -3.776 3.287 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -0.813 -2.785 4.333 1.00 0.00 H new ATOM 0 HG LEU B 39 1.199 -3.939 3.602 1.00 0.00 H new ATOM 0 HD11 LEU B 39 1.118 -5.634 1.819 1.00 0.00 H new ATOM 0 HD12 LEU B 39 0.264 -6.174 3.284 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -0.660 -5.601 1.875 1.00 0.00 H new ATOM 0 HD21 LEU B 39 1.209 -3.238 1.239 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -0.565 -3.111 1.274 1.00 0.00 H new ATOM 0 HD23 LEU B 39 0.424 -2.029 2.283 1.00 0.00 H new ATOM 1502 N ARG B 40 0.724 -4.011 6.438 1.00 0.00 N ATOM 1503 CA ARG B 40 1.977 -4.122 7.171 1.00 0.00 C ATOM 1504 C ARG B 40 1.946 -5.285 8.160 1.00 0.00 C ATOM 1505 O ARG B 40 2.870 -6.096 8.207 1.00 0.00 O ATOM 1506 CB ARG B 40 2.251 -2.817 7.913 1.00 0.00 C ATOM 1507 CG ARG B 40 3.573 -2.808 8.680 1.00 0.00 C ATOM 1508 CD ARG B 40 4.239 -1.434 8.657 1.00 0.00 C ATOM 1509 NE ARG B 40 5.341 -1.379 7.699 1.00 0.00 N ATOM 1510 CZ ARG B 40 6.465 -2.083 7.821 1.00 0.00 C ATOM 1511 NH1 ARG B 40 6.644 -2.885 8.863 1.00 0.00 N ATOM 1512 NH2 ARG B 40 7.412 -1.987 6.898 1.00 0.00 N ATOM 0 H ARG B 40 0.290 -3.089 6.486 1.00 0.00 H new ATOM 0 HA ARG B 40 2.775 -4.315 6.454 1.00 0.00 H new ATOM 0 HB2 ARG B 40 2.252 -1.996 7.196 1.00 0.00 H new ATOM 0 HB3 ARG B 40 1.435 -2.629 8.611 1.00 0.00 H new ATOM 0 HG2 ARG B 40 3.395 -3.107 9.713 1.00 0.00 H new ATOM 0 HG3 ARG B 40 4.249 -3.546 8.247 1.00 0.00 H new ATOM 0 HD2 ARG B 40 3.498 -0.676 8.402 1.00 0.00 H new ATOM 0 HD3 ARG B 40 4.611 -1.194 9.653 1.00 0.00 H new ATOM 0 HE ARG B 40 5.244 -0.766 6.890 1.00 0.00 H new ATOM 0 HH11 ARG B 40 5.919 -2.965 9.576 1.00 0.00 H new ATOM 0 HH12 ARG B 40 7.507 -3.422 8.951 1.00 0.00 H new ATOM 0 HH21 ARG B 40 7.280 -1.374 6.094 1.00 0.00 H new ATOM 0 HH22 ARG B 40 8.273 -2.526 6.992 1.00 0.00 H new ATOM 1754 N GLU C 591 -13.939 -3.848 -13.515 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.528 -2.982 -14.622 1.00 0.00 C ATOM 1756 C GLU C 591 -13.618 -1.486 -14.296 1.00 0.00 C ATOM 1757 O GLU C 591 -12.607 -0.856 -13.992 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.366 -3.297 -15.867 1.00 0.00 C ATOM 1759 CG GLU C 591 -14.001 -4.619 -16.523 1.00 0.00 C ATOM 1760 CD GLU C 591 -14.667 -4.803 -17.872 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -15.888 -5.068 -17.901 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -13.969 -4.681 -18.901 1.00 0.00 O ATOM 0 HA GLU C 591 -12.475 -3.194 -14.808 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.420 -3.316 -15.591 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -14.241 -2.493 -16.593 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -12.919 -4.673 -16.645 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -14.289 -5.439 -15.865 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.820 -0.912 -14.390 1.00 0.00 N ATOM 1770 CA GLU C 592 -15.029 0.516 -14.138 1.00 0.00 C ATOM 1771 C GLU C 592 -14.317 1.003 -12.879 1.00 0.00 C ATOM 1772 O GLU C 592 -13.948 2.172 -12.778 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.527 0.817 -14.033 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.295 0.548 -15.318 1.00 0.00 C ATOM 1775 CD GLU C 592 -18.727 1.040 -15.255 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -18.965 2.103 -14.643 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -19.613 0.363 -15.818 1.00 0.00 O ATOM 0 H GLU C 592 -15.669 -1.419 -14.641 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.597 1.053 -14.982 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -16.955 0.215 -13.231 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.660 1.862 -13.752 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -16.785 1.033 -16.150 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -17.291 -0.523 -15.522 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.132 0.106 -11.923 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.470 0.446 -10.669 1.00 0.00 C ATOM 1786 C ILE C 593 -11.970 0.619 -10.867 1.00 0.00 C ATOM 1787 O ILE C 593 -11.325 1.365 -10.130 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.725 -0.637 -9.593 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.131 -0.478 -8.992 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -12.658 -0.599 -8.499 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.284 0.713 -8.066 1.00 0.00 C ATOM 0 H ILE C 593 -14.431 -0.867 -11.990 1.00 0.00 H new ATOM 0 HA ILE C 593 -13.893 1.391 -10.329 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.664 -1.612 -10.077 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -15.852 -0.387 -9.804 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.383 -1.385 -8.443 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -12.867 -1.372 -7.760 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.677 -0.775 -8.941 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -12.668 0.378 -8.015 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.305 0.750 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -14.590 0.616 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.067 1.630 -8.614 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.410 -0.069 -11.858 1.00 0.00 N ATOM 1804 CA TRP C 594 -9.983 0.021 -12.128 1.00 0.00 C ATOM 1805 C TRP C 594 -9.624 1.269 -12.917 1.00 0.00 C ATOM 1806 O TRP C 594 -8.680 1.977 -12.568 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.484 -1.212 -12.877 1.00 0.00 C ATOM 1808 CG TRP C 594 -8.007 -1.173 -13.104 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.360 -0.638 -14.178 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -6.993 -1.665 -12.225 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -6.001 -0.765 -14.020 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.750 -1.398 -12.830 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -7.017 -2.308 -10.987 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.543 -1.753 -12.232 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -5.821 -2.660 -10.395 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.599 -2.381 -11.017 1.00 0.00 C ATOM 0 H TRP C 594 -11.922 -0.691 -12.483 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.491 0.078 -11.157 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.740 -2.108 -12.311 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -9.996 -1.285 -13.837 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -7.845 -0.181 -15.028 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.294 -0.441 -14.680 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -7.956 -2.527 -10.500 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.598 -1.541 -12.709 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -5.828 -3.158 -9.437 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.680 -2.667 -10.528 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.368 1.540 -13.978 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.091 2.713 -14.789 1.00 0.00 C ATOM 1829 C LYS C 595 -10.214 3.976 -13.949 1.00 0.00 C ATOM 1830 O LYS C 595 -9.405 4.894 -14.082 1.00 0.00 O ATOM 1831 CB LYS C 595 -10.999 2.778 -16.015 1.00 0.00 C ATOM 1832 CG LYS C 595 -12.449 2.429 -15.740 1.00 0.00 C ATOM 1833 CD LYS C 595 -13.349 2.942 -16.851 1.00 0.00 C ATOM 1834 CE LYS C 595 -13.654 4.424 -16.688 1.00 0.00 C ATOM 1835 NZ LYS C 595 -14.683 4.890 -17.658 1.00 0.00 N ATOM 0 H LYS C 595 -11.156 0.974 -14.293 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.066 2.636 -15.153 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -10.953 3.784 -16.433 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -10.612 2.099 -16.775 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -12.556 1.348 -15.649 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -12.757 2.861 -14.788 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -12.870 2.773 -17.815 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -14.281 2.377 -16.855 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -14.001 4.613 -15.672 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -12.739 5.000 -16.825 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -14.862 5.904 -17.514 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -14.342 4.733 -18.628 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -15.565 4.359 -17.511 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.228 4.037 -13.090 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.432 5.212 -12.253 1.00 0.00 C ATOM 1851 C LYS C 596 -10.344 5.346 -11.193 1.00 0.00 C ATOM 1852 O LYS C 596 -9.656 6.365 -11.137 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.805 5.149 -11.576 1.00 0.00 C ATOM 1854 CG LYS C 596 -13.976 5.094 -12.553 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.344 6.474 -13.097 1.00 0.00 C ATOM 1856 CE LYS C 596 -15.166 7.289 -12.102 1.00 0.00 C ATOM 1857 NZ LYS C 596 -16.628 7.103 -12.310 1.00 0.00 N ATOM 0 H LYS C 596 -11.914 3.294 -12.957 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.383 6.087 -12.901 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -12.841 4.271 -10.932 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -12.922 6.021 -10.933 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -13.723 4.435 -13.383 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -14.842 4.660 -12.054 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -13.433 7.019 -13.345 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -14.908 6.359 -14.022 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -14.903 6.995 -11.086 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -14.916 8.345 -12.203 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -17.153 7.672 -11.616 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -16.883 7.407 -13.271 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -16.871 6.099 -12.189 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.183 4.329 -10.339 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.178 4.367 -9.281 1.00 0.00 C ATOM 1873 C ALA C 597 -7.813 4.795 -9.823 1.00 0.00 C ATOM 1874 O ALA C 597 -7.040 5.459 -9.131 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.073 3.000 -8.625 1.00 0.00 C ATOM 0 H ALA C 597 -10.737 3.473 -10.363 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.490 5.105 -8.541 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.322 3.032 -7.836 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -10.038 2.727 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -8.784 2.260 -9.371 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.528 4.407 -11.062 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.260 4.747 -11.701 1.00 0.00 C ATOM 1883 C GLU C 598 -6.153 6.256 -11.926 1.00 0.00 C ATOM 1884 O GLU C 598 -5.068 6.828 -11.824 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.108 3.984 -13.027 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.529 2.586 -12.864 1.00 0.00 C ATOM 1887 CD GLU C 598 -5.142 1.960 -14.188 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -5.792 2.277 -15.208 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -4.191 1.151 -14.208 1.00 0.00 O ATOM 0 H GLU C 598 -8.158 3.856 -11.645 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.448 4.448 -11.038 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -7.084 3.910 -13.508 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.466 4.558 -13.695 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -4.652 2.632 -12.218 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -6.260 1.950 -12.365 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.280 6.901 -12.219 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.292 8.346 -12.437 1.00 0.00 C ATOM 1898 C GLU C 599 -6.946 9.080 -11.143 1.00 0.00 C ATOM 1899 O GLU C 599 -6.135 10.006 -11.143 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.660 8.804 -12.953 1.00 0.00 C ATOM 1901 CG GLU C 599 -8.970 8.328 -14.363 1.00 0.00 C ATOM 1902 CD GLU C 599 -10.237 8.948 -14.921 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -10.463 10.153 -14.681 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -11.002 8.230 -15.596 1.00 0.00 O ATOM 0 H GLU C 599 -8.190 6.450 -12.311 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.541 8.585 -13.190 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -9.434 8.440 -12.277 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -8.702 9.893 -12.929 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -8.132 8.570 -15.017 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -9.070 7.243 -14.363 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.570 8.669 -10.043 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.332 9.294 -8.743 1.00 0.00 C ATOM 1913 C ALA C 600 -5.845 9.386 -8.416 1.00 0.00 C ATOM 1914 O ALA C 600 -5.380 10.396 -7.889 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.063 8.521 -7.657 1.00 0.00 C ATOM 0 H ALA C 600 -8.245 7.905 -10.025 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.717 10.313 -8.789 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.882 8.992 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.133 8.523 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.699 7.494 -7.634 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.104 8.324 -8.714 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.671 8.295 -8.429 1.00 0.00 C ATOM 1923 C VAL C 601 -2.876 9.130 -9.425 1.00 0.00 C ATOM 1924 O VAL C 601 -1.931 9.821 -9.051 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.114 6.860 -8.425 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.667 6.853 -7.950 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -3.973 5.969 -7.544 1.00 0.00 C ATOM 0 H VAL C 601 -5.467 7.476 -9.150 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.557 8.724 -7.433 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.140 6.470 -9.442 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.288 5.831 -7.953 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.062 7.466 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.614 7.257 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.570 4.956 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -3.972 6.356 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -4.994 5.955 -7.926 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.270 9.072 -10.691 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.593 9.834 -11.734 1.00 0.00 C ATOM 1939 C ASN C 602 -2.795 11.329 -11.513 1.00 0.00 C ATOM 1940 O ASN C 602 -1.865 12.120 -11.666 1.00 0.00 O ATOM 1941 CB ASN C 602 -3.117 9.432 -13.114 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.261 9.980 -14.238 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -2.530 11.058 -14.770 1.00 0.00 O ATOM 1944 ND2 ASN C 602 -1.223 9.238 -14.607 1.00 0.00 N ATOM 0 H ASN C 602 -4.053 8.507 -11.020 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.527 9.612 -11.686 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -3.152 8.345 -13.184 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -4.139 9.792 -13.231 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -0.611 9.555 -15.359 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -1.038 8.351 -14.138 1.00 0.00 H new ATOM 1951 N GLU C 603 -4.012 11.706 -11.146 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.333 13.105 -10.896 1.00 0.00 C ATOM 1953 C GLU C 603 -3.570 13.629 -9.683 1.00 0.00 C ATOM 1954 O GLU C 603 -2.836 14.610 -9.789 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.840 13.269 -10.678 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.298 14.719 -10.663 1.00 0.00 C ATOM 1957 CD GLU C 603 -7.809 14.853 -10.684 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -8.449 14.516 -9.666 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -8.352 15.296 -11.718 1.00 0.00 O ATOM 0 H GLU C 603 -4.793 11.063 -11.015 1.00 0.00 H new ATOM 0 HA GLU C 603 -4.033 13.686 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.373 12.736 -11.466 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -6.115 12.800 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -5.906 15.211 -9.773 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -5.879 15.238 -11.525 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.740 12.986 -8.529 1.00 0.00 N ATOM 1967 CA VAL C 604 -3.057 13.420 -7.317 1.00 0.00 C ATOM 1968 C VAL C 604 -1.538 13.333 -7.457 1.00 0.00 C ATOM 1969 O VAL C 604 -0.799 14.068 -6.803 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.508 12.631 -6.076 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -3.052 11.180 -6.151 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -2.986 13.303 -4.815 1.00 0.00 C ATOM 0 H VAL C 604 -4.340 12.170 -8.410 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.337 14.464 -7.177 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.598 12.629 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.385 10.647 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.480 10.710 -7.036 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.964 11.143 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.310 12.738 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -1.897 13.334 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -3.377 14.319 -4.756 1.00 0.00 H new ATOM 1982 N LYS C 605 -1.084 12.429 -8.324 1.00 0.00 N ATOM 1983 CA LYS C 605 0.343 12.238 -8.568 1.00 0.00 C ATOM 1984 C LYS C 605 0.893 13.404 -9.379 1.00 0.00 C ATOM 1985 O LYS C 605 1.905 14.003 -9.015 1.00 0.00 O ATOM 1986 CB LYS C 605 0.573 10.912 -9.310 1.00 0.00 C ATOM 1987 CG LYS C 605 2.015 10.674 -9.770 1.00 0.00 C ATOM 1988 CD LYS C 605 2.077 10.107 -11.182 1.00 0.00 C ATOM 1989 CE LYS C 605 1.504 8.700 -11.245 1.00 0.00 C ATOM 1990 NZ LYS C 605 1.539 8.145 -12.626 1.00 0.00 N ATOM 0 H LYS C 605 -1.688 11.815 -8.871 1.00 0.00 H new ATOM 0 HA LYS C 605 0.868 12.200 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS C 605 0.274 10.091 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS C 605 -0.081 10.881 -10.181 1.00 0.00 H new ATOM 0 HG2 LYS C 605 2.567 11.613 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS C 605 2.506 9.987 -9.081 1.00 0.00 H new ATOM 0 HD2 LYS C 605 1.524 10.757 -11.860 1.00 0.00 H new ATOM 0 HD3 LYS C 605 3.112 10.095 -11.525 1.00 0.00 H new ATOM 0 HE2 LYS C 605 2.069 8.048 -10.578 1.00 0.00 H new ATOM 0 HE3 LYS C 605 0.475 8.711 -10.885 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 1.139 7.185 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 0.979 8.752 -13.258 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 2.523 8.110 -12.961 1.00 0.00 H new ATOM 2004 N ARG C 606 0.213 13.733 -10.467 1.00 0.00 N ATOM 2005 CA ARG C 606 0.633 14.845 -11.309 1.00 0.00 C ATOM 2006 C ARG C 606 0.511 16.161 -10.539 1.00 0.00 C ATOM 2007 O ARG C 606 1.175 17.143 -10.864 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.202 14.897 -12.604 1.00 0.00 C ATOM 2009 CG ARG C 606 0.638 14.991 -13.873 1.00 0.00 C ATOM 2010 CD ARG C 606 -0.180 15.477 -15.063 1.00 0.00 C ATOM 2011 NE ARG C 606 -0.319 16.931 -15.071 1.00 0.00 N ATOM 2012 CZ ARG C 606 -0.826 17.623 -16.090 1.00 0.00 C ATOM 2013 NH1 ARG C 606 -1.254 16.998 -17.180 1.00 0.00 N ATOM 2014 NH2 ARG C 606 -0.906 18.944 -16.017 1.00 0.00 N ATOM 0 H ARG C 606 -0.627 13.250 -10.787 1.00 0.00 H new ATOM 0 HA ARG C 606 1.677 14.695 -11.586 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -0.827 14.006 -12.658 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -0.873 15.755 -12.559 1.00 0.00 H new ATOM 0 HG2 ARG C 606 1.474 15.671 -13.705 1.00 0.00 H new ATOM 0 HG3 ARG C 606 1.063 14.013 -14.100 1.00 0.00 H new ATOM 0 HD2 ARG C 606 0.297 15.153 -15.988 1.00 0.00 H new ATOM 0 HD3 ARG C 606 -1.168 15.018 -15.036 1.00 0.00 H new ATOM 0 HE ARG C 606 -0.009 17.447 -14.247 1.00 0.00 H new ATOM 0 HH11 ARG C 606 -1.196 15.981 -17.241 1.00 0.00 H new ATOM 0 HH12 ARG C 606 -1.641 17.534 -17.957 1.00 0.00 H new ATOM 0 HH21 ARG C 606 -0.580 19.429 -15.181 1.00 0.00 H new ATOM 0 HH22 ARG C 606 -1.294 19.475 -16.796 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.356 16.176 -9.525 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.575 17.375 -8.717 1.00 0.00 C ATOM 2030 C GLN C 607 0.522 17.580 -7.662 1.00 0.00 C ATOM 2031 O GLN C 607 1.193 18.609 -7.664 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.948 17.315 -8.040 1.00 0.00 C ATOM 2033 CG GLN C 607 -3.097 17.710 -8.956 1.00 0.00 C ATOM 2034 CD GLN C 607 -4.412 17.850 -8.214 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -4.858 18.960 -7.922 1.00 0.00 O ATOM 2036 NE2 GLN C 607 -5.040 16.721 -7.906 1.00 0.00 N ATOM 0 H GLN C 607 -0.917 15.372 -9.245 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.537 18.228 -9.395 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.119 16.303 -7.673 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.944 17.973 -7.171 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -2.858 18.654 -9.446 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -3.205 16.962 -9.741 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -4.633 15.823 -8.168 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.929 16.752 -7.407 1.00 0.00 H new ATOM 2045 N ALA C 608 0.706 16.611 -6.756 1.00 0.00 N ATOM 2046 CA ALA C 608 1.724 16.716 -5.705 1.00 0.00 C ATOM 2047 C ALA C 608 3.071 17.189 -6.248 1.00 0.00 C ATOM 2048 O ALA C 608 3.831 17.859 -5.549 1.00 0.00 O ATOM 2049 CB ALA C 608 1.883 15.374 -5.009 1.00 0.00 C ATOM 0 H ALA C 608 0.164 15.747 -6.730 1.00 0.00 H new ATOM 0 HA ALA C 608 1.384 17.466 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.640 15.456 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA C 608 0.933 15.081 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.190 14.622 -5.735 1.00 0.00 H new ATOM 2055 N MET C 609 3.355 16.843 -7.496 1.00 0.00 N ATOM 2056 CA MET C 609 4.613 17.247 -8.121 1.00 0.00 C ATOM 2057 C MET C 609 4.683 18.772 -8.242 1.00 0.00 C ATOM 2058 O MET C 609 5.759 19.360 -8.130 1.00 0.00 O ATOM 2059 CB MET C 609 4.787 16.582 -9.496 1.00 0.00 C ATOM 2060 CG MET C 609 4.223 17.389 -10.662 1.00 0.00 C ATOM 2061 SD MET C 609 3.916 16.384 -12.130 1.00 0.00 S ATOM 2062 CE MET C 609 4.157 17.595 -13.428 1.00 0.00 C ATOM 0 H MET C 609 2.741 16.289 -8.093 1.00 0.00 H new ATOM 0 HA MET C 609 5.432 16.912 -7.484 1.00 0.00 H new ATOM 0 HB2 MET C 609 5.849 16.408 -9.670 1.00 0.00 H new ATOM 0 HB3 MET C 609 4.303 15.606 -9.478 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.292 17.864 -10.352 1.00 0.00 H new ATOM 0 HG3 MET C 609 4.920 18.188 -10.914 1.00 0.00 H new ATOM 0 HE1 MET C 609 3.585 17.303 -14.309 1.00 0.00 H new ATOM 0 HE2 MET C 609 3.818 18.572 -13.082 1.00 0.00 H new ATOM 0 HE3 MET C 609 5.215 17.648 -13.684 1.00 0.00 H new ATOM 2072 N THR C 610 3.533 19.408 -8.449 1.00 0.00 N ATOM 2073 CA THR C 610 3.477 20.863 -8.557 1.00 0.00 C ATOM 2074 C THR C 610 3.814 21.491 -7.208 1.00 0.00 C ATOM 2075 O THR C 610 4.562 22.465 -7.134 1.00 0.00 O ATOM 2076 CB THR C 610 2.086 21.315 -9.021 1.00 0.00 C ATOM 2077 OG1 THR C 610 1.908 21.049 -10.401 1.00 0.00 O ATOM 2078 CG2 THR C 610 1.826 22.790 -8.802 1.00 0.00 C ATOM 0 H THR C 610 2.631 18.941 -8.545 1.00 0.00 H new ATOM 0 HA THR C 610 4.207 21.191 -9.297 1.00 0.00 H new ATOM 0 HB THR C 610 1.383 20.747 -8.412 1.00 0.00 H new ATOM 0 HG1 THR C 610 1.015 21.342 -10.678 1.00 0.00 H new ATOM 0 HG21 THR C 610 0.825 23.039 -9.153 1.00 0.00 H new ATOM 0 HG22 THR C 610 1.906 23.020 -7.739 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.560 23.375 -9.356 1.00 0.00 H new ATOM 2086 N GLU C 611 3.274 20.914 -6.147 1.00 0.00 N ATOM 2087 CA GLU C 611 3.537 21.411 -4.802 1.00 0.00 C ATOM 2088 C GLU C 611 5.040 21.382 -4.515 1.00 0.00 C ATOM 2089 O GLU C 611 5.547 22.133 -3.685 1.00 0.00 O ATOM 2090 CB GLU C 611 2.779 20.571 -3.774 1.00 0.00 C ATOM 2091 CG GLU C 611 1.290 20.871 -3.720 1.00 0.00 C ATOM 2092 CD GLU C 611 0.989 22.219 -3.097 1.00 0.00 C ATOM 2093 OE1 GLU C 611 1.087 23.239 -3.810 1.00 0.00 O ATOM 2094 OE2 GLU C 611 0.654 22.255 -1.894 1.00 0.00 O ATOM 0 H GLU C 611 2.654 20.105 -6.188 1.00 0.00 H new ATOM 0 HA GLU C 611 3.190 22.442 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU C 611 2.920 19.515 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU C 611 3.211 20.742 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU C 611 0.881 20.842 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU C 611 0.786 20.091 -3.149 1.00 0.00 H new ATOM 2101 N LEU C 612 5.739 20.497 -5.218 1.00 0.00 N ATOM 2102 CA LEU C 612 7.184 20.343 -5.059 1.00 0.00 C ATOM 2103 C LEU C 612 7.944 21.266 -6.008 1.00 0.00 C ATOM 2104 O LEU C 612 8.989 21.813 -5.654 1.00 0.00 O ATOM 2105 CB LEU C 612 7.593 18.881 -5.292 1.00 0.00 C ATOM 2106 CG LEU C 612 8.616 18.319 -4.285 1.00 0.00 C ATOM 2107 CD1 LEU C 612 8.463 16.808 -4.147 1.00 0.00 C ATOM 2108 CD2 LEU C 612 10.049 18.695 -4.680 1.00 0.00 C ATOM 0 H LEU C 612 5.326 19.870 -5.909 1.00 0.00 H new ATOM 0 HA LEU C 612 7.444 20.623 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU C 612 6.698 18.260 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.008 18.792 -6.296 1.00 0.00 H new ATOM 0 HG LEU C 612 8.414 18.770 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU C 612 9.194 16.432 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU C 612 7.458 16.575 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU C 612 8.627 16.336 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU C 612 10.747 18.284 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU C 612 10.273 18.288 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU C 612 10.147 19.780 -4.705 1.00 0.00 H new ATOM 2120 N GLN C 613 7.423 21.418 -7.220 1.00 0.00 N ATOM 2121 CA GLN C 613 8.061 22.255 -8.230 1.00 0.00 C ATOM 2122 C GLN C 613 7.854 23.744 -7.957 1.00 0.00 C ATOM 2123 O GLN C 613 8.414 24.585 -8.660 1.00 0.00 O ATOM 2124 CB GLN C 613 7.527 21.898 -9.620 1.00 0.00 C ATOM 2125 CG GLN C 613 8.025 20.554 -10.129 1.00 0.00 C ATOM 2126 CD GLN C 613 7.312 20.106 -11.390 1.00 0.00 C ATOM 2127 OE1 GLN C 613 6.797 20.924 -12.151 1.00 0.00 O ATOM 2128 NE2 GLN C 613 7.278 18.797 -11.614 1.00 0.00 N ATOM 0 H GLN C 613 6.559 20.972 -7.528 1.00 0.00 H new ATOM 0 HA GLN C 613 9.133 22.060 -8.187 1.00 0.00 H new ATOM 0 HB2 GLN C 613 6.437 21.887 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN C 613 7.819 22.676 -10.325 1.00 0.00 H new ATOM 0 HG2 GLN C 613 9.095 20.618 -10.325 1.00 0.00 H new ATOM 0 HG3 GLN C 613 7.888 19.802 -9.352 1.00 0.00 H new ATOM 0 HE21 GLN C 613 7.719 18.155 -10.955 1.00 0.00 H new ATOM 0 HE22 GLN C 613 6.811 18.434 -12.445 1.00 0.00 H new