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 Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 14 GLN : amide:sc= -0.94 K(o=-0.94,f=-5.3!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 90:sc= 1.04 USER MOD Single : A 23 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.041) USER MOD Single : A 24 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.52) USER MOD Single : A 35 TYR OH : rot -159:sc= -1.29 USER MOD Single : A 37 THR OG1 : rot -62:sc= 0.668 USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.303 USER MOD Single : B 14 GLN :FLIP amide:sc= -0.767! F(o=-3,f=-0.77!) USER MOD Single : B 16 TYR OH : rot 121:sc= 0.316 USER MOD Single : B 17 THR OG1 : rot 91:sc= 1.08 USER MOD Single : B 23 GLN : amide:sc= -0.0802 X(o=-0.08,f=-0.08) USER MOD Single : B 24 GLN : amide:sc= 0.0184 K(o=0.018,f=-1.9) USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 THR OG1 : rot -37:sc= 0.42 USER MOD Single : C 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 602 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.2!) USER MOD Single : C 605 LYS NZ :NH3+ 126:sc= -0.196 (180deg=-1.17) USER MOD Single : C 607 GLN : amide:sc= -2.77 K(o=-2.8,f=-4.2!) USER MOD Single : C 609 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 610 THR OG1 : rot 180:sc= 0 USER MOD Single : C 613 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -18.326 7.606 -9.699 1.00 0.00 N ATOM 121 CA GLN A 4 -17.849 8.991 -9.758 1.00 0.00 C ATOM 122 C GLN A 4 -16.703 9.283 -8.781 1.00 0.00 C ATOM 123 O GLN A 4 -16.873 9.184 -7.569 1.00 0.00 O ATOM 124 CB GLN A 4 -19.010 9.972 -9.535 1.00 0.00 C ATOM 125 CG GLN A 4 -19.418 10.150 -8.079 1.00 0.00 C ATOM 126 CD GLN A 4 -20.712 10.925 -7.929 1.00 0.00 C ATOM 127 OE1 GLN A 4 -21.119 11.659 -8.830 1.00 0.00 O ATOM 128 NE2 GLN A 4 -21.367 10.765 -6.785 1.00 0.00 N ATOM 0 HA GLN A 4 -17.442 9.132 -10.759 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.731 10.944 -9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.875 9.626 -10.101 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.529 9.170 -7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.623 10.669 -7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -20.993 10.146 -6.065 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.244 11.261 -6.626 1.00 0.00 H new ATOM 137 N ILE A 5 -15.545 9.675 -9.315 1.00 0.00 N ATOM 138 CA ILE A 5 -14.395 10.007 -8.472 1.00 0.00 C ATOM 139 C ILE A 5 -14.828 10.913 -7.310 1.00 0.00 C ATOM 140 O ILE A 5 -15.083 12.100 -7.514 1.00 0.00 O ATOM 141 CB ILE A 5 -13.287 10.720 -9.285 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.781 9.822 -10.420 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.131 11.123 -8.378 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.294 8.465 -9.956 1.00 0.00 C ATOM 0 H ILE A 5 -15.379 9.770 -10.317 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.995 9.071 -8.081 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.717 11.621 -9.723 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.583 9.681 -11.144 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.969 10.331 -10.939 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.363 11.623 -8.968 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.494 11.801 -7.606 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.708 10.234 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.952 7.888 -10.815 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.470 8.595 -9.255 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.109 7.935 -9.464 1.00 0.00 H new ATOM 156 N PRO A 6 -14.933 10.373 -6.074 1.00 0.00 N ATOM 157 CA PRO A 6 -15.356 11.164 -4.911 1.00 0.00 C ATOM 158 C PRO A 6 -14.504 12.420 -4.717 1.00 0.00 C ATOM 159 O PRO A 6 -13.347 12.460 -5.134 1.00 0.00 O ATOM 160 CB PRO A 6 -15.172 10.199 -3.730 1.00 0.00 C ATOM 161 CG PRO A 6 -15.257 8.843 -4.334 1.00 0.00 C ATOM 162 CD PRO A 6 -14.666 8.966 -5.712 1.00 0.00 C ATOM 0 HA PRO A 6 -16.377 11.530 -5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.212 10.354 -3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.944 10.345 -2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.708 8.115 -3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.291 8.501 -4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.598 8.747 -5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.134 8.275 -6.413 1.00 0.00 H new ATOM 170 N PRO A 7 -15.062 13.467 -4.075 1.00 0.00 N ATOM 171 CA PRO A 7 -14.338 14.715 -3.831 1.00 0.00 C ATOM 172 C PRO A 7 -13.438 14.629 -2.601 1.00 0.00 C ATOM 173 O PRO A 7 -13.678 13.822 -1.704 1.00 0.00 O ATOM 174 CB PRO A 7 -15.472 15.711 -3.601 1.00 0.00 C ATOM 175 CG PRO A 7 -16.523 14.902 -2.924 1.00 0.00 C ATOM 176 CD PRO A 7 -16.438 13.523 -3.535 1.00 0.00 C ATOM 0 HA PRO A 7 -13.667 14.981 -4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.150 16.548 -2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.833 16.130 -4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -16.354 14.864 -1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -17.511 15.337 -3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.609 12.744 -2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.183 13.385 -4.319 1.00 0.00 H new ATOM 184 N GLY A 8 -12.410 15.472 -2.559 1.00 0.00 N ATOM 185 CA GLY A 8 -11.498 15.480 -1.426 1.00 0.00 C ATOM 186 C GLY A 8 -10.413 14.420 -1.518 1.00 0.00 C ATOM 187 O GLY A 8 -9.371 14.538 -0.875 1.00 0.00 O ATOM 0 H GLY A 8 -12.191 16.150 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.031 16.462 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.068 15.328 -0.509 1.00 0.00 H new ATOM 191 N LEU A 9 -10.652 13.378 -2.309 1.00 0.00 N ATOM 192 CA LEU A 9 -9.677 12.302 -2.463 1.00 0.00 C ATOM 193 C LEU A 9 -8.346 12.846 -2.985 1.00 0.00 C ATOM 194 O LEU A 9 -7.286 12.288 -2.714 1.00 0.00 O ATOM 195 CB LEU A 9 -10.215 11.212 -3.412 1.00 0.00 C ATOM 196 CG LEU A 9 -10.478 9.847 -2.761 1.00 0.00 C ATOM 197 CD1 LEU A 9 -11.303 8.961 -3.684 1.00 0.00 C ATOM 198 CD2 LEU A 9 -9.165 9.163 -2.398 1.00 0.00 C ATOM 0 H LEU A 9 -11.507 13.256 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.508 11.858 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.143 11.568 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.502 11.077 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.045 10.011 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.478 7.998 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.259 9.442 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.764 8.807 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.373 8.197 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.570 9.015 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.611 9.787 -1.697 1.00 0.00 H new ATOM 210 N THR A 10 -8.417 13.930 -3.750 1.00 0.00 N ATOM 211 CA THR A 10 -7.223 14.538 -4.328 1.00 0.00 C ATOM 212 C THR A 10 -6.321 15.153 -3.256 1.00 0.00 C ATOM 213 O THR A 10 -5.112 14.938 -3.260 1.00 0.00 O ATOM 214 CB THR A 10 -7.619 15.601 -5.365 1.00 0.00 C ATOM 215 OG1 THR A 10 -9.013 15.850 -5.321 1.00 0.00 O ATOM 216 CG2 THR A 10 -7.272 15.211 -6.788 1.00 0.00 C ATOM 0 H THR A 10 -9.288 14.406 -3.984 1.00 0.00 H new ATOM 0 HA THR A 10 -6.656 13.748 -4.820 1.00 0.00 H new ATOM 0 HB THR A 10 -7.047 16.490 -5.097 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.245 16.530 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.579 16.006 -7.468 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.196 15.057 -6.871 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.791 14.289 -7.050 1.00 0.00 H new ATOM 224 N GLU A 11 -6.909 15.924 -2.349 1.00 0.00 N ATOM 225 CA GLU A 11 -6.133 16.569 -1.293 1.00 0.00 C ATOM 226 C GLU A 11 -5.581 15.548 -0.300 1.00 0.00 C ATOM 227 O GLU A 11 -4.515 15.756 0.281 1.00 0.00 O ATOM 228 CB GLU A 11 -6.977 17.614 -0.559 1.00 0.00 C ATOM 229 CG GLU A 11 -8.245 17.057 0.067 1.00 0.00 C ATOM 230 CD GLU A 11 -8.877 18.012 1.060 1.00 0.00 C ATOM 231 OE1 GLU A 11 -9.441 19.038 0.623 1.00 0.00 O ATOM 232 OE2 GLU A 11 -8.807 17.735 2.277 1.00 0.00 O ATOM 0 H GLU A 11 -7.910 16.117 -2.321 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.289 17.069 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.370 18.073 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.247 18.405 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.964 16.830 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.015 16.117 0.569 1.00 0.00 H new ATOM 239 N LEU A 12 -6.307 14.450 -0.096 1.00 0.00 N ATOM 240 CA LEU A 12 -5.874 13.414 0.841 1.00 0.00 C ATOM 241 C LEU A 12 -4.628 12.691 0.337 1.00 0.00 C ATOM 242 O LEU A 12 -3.681 12.473 1.092 1.00 0.00 O ATOM 243 CB LEU A 12 -7.004 12.401 1.100 1.00 0.00 C ATOM 244 CG LEU A 12 -7.643 12.469 2.495 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.617 12.154 3.580 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.277 13.837 2.728 1.00 0.00 C ATOM 0 H LEU A 12 -7.192 14.255 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.624 13.909 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.784 12.554 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.610 11.396 0.948 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.428 11.715 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.094 12.209 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.220 11.151 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.803 12.877 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.725 13.866 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.512 14.610 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.048 14.013 1.978 1.00 0.00 H new ATOM 258 N LEU A 13 -4.636 12.310 -0.939 1.00 0.00 N ATOM 259 CA LEU A 13 -3.509 11.603 -1.523 1.00 0.00 C ATOM 260 C LEU A 13 -2.326 12.544 -1.747 1.00 0.00 C ATOM 261 O LEU A 13 -1.171 12.132 -1.651 1.00 0.00 O ATOM 262 CB LEU A 13 -3.929 10.936 -2.837 1.00 0.00 C ATOM 263 CG LEU A 13 -5.100 9.952 -2.727 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.566 9.518 -4.112 1.00 0.00 C ATOM 265 CD2 LEU A 13 -4.709 8.743 -1.888 1.00 0.00 C ATOM 0 H LEU A 13 -5.409 12.480 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.189 10.829 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.196 11.715 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.069 10.407 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.928 10.458 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.397 8.820 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.891 10.392 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.744 9.032 -4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.554 8.057 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.864 8.235 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.429 9.070 -0.887 1.00 0.00 H new ATOM 277 N GLN A 14 -2.619 13.814 -2.038 1.00 0.00 N ATOM 278 CA GLN A 14 -1.568 14.808 -2.269 1.00 0.00 C ATOM 279 C GLN A 14 -0.668 14.919 -1.048 1.00 0.00 C ATOM 280 O GLN A 14 0.558 14.902 -1.163 1.00 0.00 O ATOM 281 CB GLN A 14 -2.176 16.195 -2.584 1.00 0.00 C ATOM 282 CG GLN A 14 -1.967 16.671 -4.026 1.00 0.00 C ATOM 283 CD GLN A 14 -1.508 18.118 -4.131 1.00 0.00 C ATOM 284 OE1 GLN A 14 -0.715 18.461 -5.005 1.00 0.00 O ATOM 285 NE2 GLN A 14 -2.007 18.978 -3.249 1.00 0.00 N ATOM 0 H GLN A 14 -3.569 14.177 -2.119 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.981 14.478 -3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.246 16.164 -2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.742 16.930 -1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.230 16.029 -4.508 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.900 16.554 -4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.663 18.656 -2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.734 19.960 -3.284 1.00 0.00 H new ATOM 294 N GLY A 15 -1.287 15.022 0.120 1.00 0.00 N ATOM 295 CA GLY A 15 -0.534 15.124 1.354 1.00 0.00 C ATOM 296 C GLY A 15 0.483 14.013 1.487 1.00 0.00 C ATOM 297 O GLY A 15 1.650 14.261 1.788 1.00 0.00 O ATOM 0 H GLY A 15 -2.300 15.037 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.026 16.088 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.219 15.092 2.201 1.00 0.00 H new ATOM 301 N TYR A 16 0.041 12.783 1.246 1.00 0.00 N ATOM 302 CA TYR A 16 0.930 11.632 1.329 1.00 0.00 C ATOM 303 C TYR A 16 1.929 11.640 0.176 1.00 0.00 C ATOM 304 O TYR A 16 3.131 11.465 0.376 1.00 0.00 O ATOM 305 CB TYR A 16 0.135 10.325 1.309 1.00 0.00 C ATOM 306 CG TYR A 16 1.019 9.096 1.375 1.00 0.00 C ATOM 307 CD1 TYR A 16 1.852 8.890 2.463 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.030 8.152 0.353 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.669 7.782 2.537 1.00 0.00 C ATOM 310 CE2 TYR A 16 1.849 7.038 0.421 1.00 0.00 C ATOM 311 CZ TYR A 16 2.665 6.859 1.515 1.00 0.00 C ATOM 312 OH TYR A 16 3.480 5.753 1.587 1.00 0.00 O ATOM 0 H TYR A 16 -0.922 12.559 0.993 1.00 0.00 H new ATOM 0 HA TYR A 16 1.473 11.699 2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.557 10.314 2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.467 10.285 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.861 9.610 3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.390 8.290 -0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.310 7.638 3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.848 6.313 -0.380 1.00 0.00 H new ATOM 0 HH TYR A 16 3.356 5.202 0.786 1.00 0.00 H new ATOM 322 N THR A 17 1.412 11.824 -1.035 1.00 0.00 N ATOM 323 CA THR A 17 2.242 11.830 -2.235 1.00 0.00 C ATOM 324 C THR A 17 3.345 12.882 -2.165 1.00 0.00 C ATOM 325 O THR A 17 4.526 12.555 -2.240 1.00 0.00 O ATOM 326 CB THR A 17 1.379 12.061 -3.478 1.00 0.00 C ATOM 327 OG1 THR A 17 0.229 11.235 -3.449 1.00 0.00 O ATOM 328 CG2 THR A 17 2.107 11.781 -4.777 1.00 0.00 C ATOM 0 H THR A 17 0.418 11.971 -1.212 1.00 0.00 H new ATOM 0 HA THR A 17 2.721 10.853 -2.301 1.00 0.00 H new ATOM 0 HB THR A 17 1.112 13.117 -3.449 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.499 11.704 -2.991 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.437 11.965 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.975 12.435 -4.856 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.433 10.741 -4.794 1.00 0.00 H new ATOM 336 N VAL A 18 2.955 14.146 -2.029 1.00 0.00 N ATOM 337 CA VAL A 18 3.915 15.246 -1.965 1.00 0.00 C ATOM 338 C VAL A 18 4.963 15.026 -0.875 1.00 0.00 C ATOM 339 O VAL A 18 6.093 15.500 -0.990 1.00 0.00 O ATOM 340 CB VAL A 18 3.202 16.595 -1.716 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.792 16.739 -0.252 1.00 0.00 C ATOM 342 CG2 VAL A 18 4.086 17.756 -2.150 1.00 0.00 C ATOM 0 H VAL A 18 1.979 14.435 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 18 4.418 15.274 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 18 2.294 16.613 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.293 17.697 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.112 15.931 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.679 16.692 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.567 18.697 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.016 17.738 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.309 17.666 -3.213 1.00 0.00 H new ATOM 352 N GLU A 19 4.587 14.320 0.184 1.00 0.00 N ATOM 353 CA GLU A 19 5.509 14.064 1.286 1.00 0.00 C ATOM 354 C GLU A 19 6.505 12.961 0.935 1.00 0.00 C ATOM 355 O GLU A 19 7.650 12.984 1.385 1.00 0.00 O ATOM 356 CB GLU A 19 4.739 13.693 2.555 1.00 0.00 C ATOM 357 CG GLU A 19 5.542 13.901 3.830 1.00 0.00 C ATOM 358 CD GLU A 19 5.639 15.361 4.229 1.00 0.00 C ATOM 359 OE1 GLU A 19 5.294 16.229 3.398 1.00 0.00 O ATOM 360 OE2 GLU A 19 6.061 15.638 5.371 1.00 0.00 O ATOM 0 H GLU A 19 3.658 13.917 0.304 1.00 0.00 H new ATOM 0 HA GLU A 19 6.070 14.981 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.828 14.290 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.433 12.649 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.081 13.337 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.546 13.499 3.692 1.00 0.00 H new ATOM 367 N VAL A 20 6.064 11.994 0.139 1.00 0.00 N ATOM 368 CA VAL A 20 6.926 10.886 -0.254 1.00 0.00 C ATOM 369 C VAL A 20 8.132 11.371 -1.056 1.00 0.00 C ATOM 370 O VAL A 20 9.235 10.863 -0.885 1.00 0.00 O ATOM 371 CB VAL A 20 6.139 9.809 -1.061 1.00 0.00 C ATOM 372 CG1 VAL A 20 6.288 10.008 -2.567 1.00 0.00 C ATOM 373 CG2 VAL A 20 6.573 8.397 -0.667 1.00 0.00 C ATOM 0 H VAL A 20 5.120 11.954 -0.245 1.00 0.00 H new ATOM 0 HA VAL A 20 7.290 10.426 0.665 1.00 0.00 H new ATOM 0 HB VAL A 20 5.085 9.931 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.725 9.237 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.905 10.990 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.341 9.939 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.007 7.667 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.637 8.274 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.385 8.242 0.395 1.00 0.00 H new ATOM 383 N LEU A 21 7.920 12.349 -1.933 1.00 0.00 N ATOM 384 CA LEU A 21 9.002 12.880 -2.757 1.00 0.00 C ATOM 385 C LEU A 21 9.918 13.789 -1.945 1.00 0.00 C ATOM 386 O LEU A 21 11.142 13.670 -2.007 1.00 0.00 O ATOM 387 CB LEU A 21 8.435 13.640 -3.960 1.00 0.00 C ATOM 388 CG LEU A 21 7.468 12.826 -4.852 1.00 0.00 C ATOM 389 CD1 LEU A 21 6.005 13.202 -4.599 1.00 0.00 C ATOM 390 CD2 LEU A 21 7.818 13.001 -6.327 1.00 0.00 C ATOM 0 H LEU A 21 7.013 12.788 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 21 9.592 12.037 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.913 14.525 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.265 13.989 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 21 7.587 11.776 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.359 12.607 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.754 13.006 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.859 14.260 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.126 12.420 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.743 14.055 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.836 12.653 -6.503 1.00 0.00 H new ATOM 402 N ARG A 22 9.317 14.704 -1.190 1.00 0.00 N ATOM 403 CA ARG A 22 10.073 15.645 -0.371 1.00 0.00 C ATOM 404 C ARG A 22 11.113 14.938 0.500 1.00 0.00 C ATOM 405 O ARG A 22 12.199 15.471 0.731 1.00 0.00 O ATOM 406 CB ARG A 22 9.116 16.446 0.518 1.00 0.00 C ATOM 407 CG ARG A 22 9.740 17.704 1.121 1.00 0.00 C ATOM 408 CD ARG A 22 9.392 18.948 0.317 1.00 0.00 C ATOM 409 NE ARG A 22 7.956 19.212 0.320 1.00 0.00 N ATOM 410 CZ ARG A 22 7.406 20.327 -0.154 1.00 0.00 C ATOM 411 NH1 ARG A 22 8.165 21.271 -0.696 1.00 0.00 N ATOM 412 NH2 ARG A 22 6.092 20.495 -0.094 1.00 0.00 N ATOM 0 H ARG A 22 8.305 14.814 -1.129 1.00 0.00 H new ATOM 0 HA ARG A 22 10.604 16.316 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.243 16.731 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.762 15.805 1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.393 17.826 2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.823 17.589 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.920 19.807 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.737 18.825 -0.710 1.00 0.00 H new ATOM 0 HE ARG A 22 7.338 18.500 0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.176 21.144 -0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.738 22.124 -1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.503 19.770 0.315 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.670 21.350 -0.457 1.00 0.00 H new ATOM 426 N GLN A 23 10.773 13.745 0.993 1.00 0.00 N ATOM 427 CA GLN A 23 11.676 12.979 1.856 1.00 0.00 C ATOM 428 C GLN A 23 12.261 11.770 1.129 1.00 0.00 C ATOM 429 O GLN A 23 13.370 11.331 1.436 1.00 0.00 O ATOM 430 CB GLN A 23 10.932 12.518 3.113 1.00 0.00 C ATOM 431 CG GLN A 23 11.855 12.087 4.241 1.00 0.00 C ATOM 432 CD GLN A 23 12.586 13.255 4.874 1.00 0.00 C ATOM 433 OE1 GLN A 23 13.799 13.402 4.718 1.00 0.00 O ATOM 434 NE2 GLN A 23 11.850 14.096 5.590 1.00 0.00 N ATOM 0 H GLN A 23 9.880 13.288 0.810 1.00 0.00 H new ATOM 0 HA GLN A 23 12.501 13.633 2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.294 13.329 3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.276 11.687 2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.273 11.570 5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.583 11.372 3.857 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.848 13.936 5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.286 14.902 6.037 1.00 0.00 H new ATOM 443 N GLN A 24 11.511 11.230 0.174 1.00 0.00 N ATOM 444 CA GLN A 24 11.959 10.066 -0.586 1.00 0.00 C ATOM 445 C GLN A 24 12.296 8.904 0.353 1.00 0.00 C ATOM 446 O GLN A 24 13.464 8.560 0.535 1.00 0.00 O ATOM 447 CB GLN A 24 13.175 10.432 -1.454 1.00 0.00 C ATOM 448 CG GLN A 24 12.806 11.103 -2.779 1.00 0.00 C ATOM 449 CD GLN A 24 13.714 12.270 -3.132 1.00 0.00 C ATOM 450 OE1 GLN A 24 14.885 12.295 -2.755 1.00 0.00 O ATOM 451 NE2 GLN A 24 13.173 13.242 -3.860 1.00 0.00 N ATOM 0 H GLN A 24 10.590 11.579 -0.093 1.00 0.00 H new ATOM 0 HA GLN A 24 11.148 9.748 -1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.826 11.098 -0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.747 9.528 -1.662 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.849 10.363 -3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.776 11.455 -2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.197 13.179 -4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.734 14.051 -4.128 1.00 0.00 H new ATOM 460 N PRO A 25 11.267 8.286 0.966 1.00 0.00 N ATOM 461 CA PRO A 25 11.453 7.164 1.893 1.00 0.00 C ATOM 462 C PRO A 25 11.731 5.846 1.165 1.00 0.00 C ATOM 463 O PRO A 25 11.528 5.747 -0.046 1.00 0.00 O ATOM 464 CB PRO A 25 10.116 7.111 2.635 1.00 0.00 C ATOM 465 CG PRO A 25 9.123 7.606 1.642 1.00 0.00 C ATOM 466 CD PRO A 25 9.842 8.637 0.808 1.00 0.00 C ATOM 0 HA PRO A 25 12.314 7.301 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.882 6.097 2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.132 7.737 3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.754 6.790 1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.258 8.043 2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.533 8.593 -0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.638 9.649 1.159 1.00 0.00 H new ATOM 474 N PRO A 26 12.215 4.816 1.888 1.00 0.00 N ATOM 475 CA PRO A 26 12.535 3.518 1.297 1.00 0.00 C ATOM 476 C PRO A 26 11.353 2.547 1.269 1.00 0.00 C ATOM 477 O PRO A 26 11.395 1.542 0.559 1.00 0.00 O ATOM 478 CB PRO A 26 13.622 3.006 2.239 1.00 0.00 C ATOM 479 CG PRO A 26 13.198 3.506 3.579 1.00 0.00 C ATOM 480 CD PRO A 26 12.517 4.836 3.337 1.00 0.00 C ATOM 0 HA PRO A 26 12.827 3.604 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.687 1.918 2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.604 3.389 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.518 2.802 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.056 3.623 4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.610 4.936 3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.166 5.672 3.600 1.00 0.00 H new ATOM 488 N ASP A 27 10.306 2.830 2.051 1.00 0.00 N ATOM 489 CA ASP A 27 9.137 1.957 2.108 1.00 0.00 C ATOM 490 C ASP A 27 7.842 2.745 1.977 1.00 0.00 C ATOM 491 O ASP A 27 7.702 3.838 2.526 1.00 0.00 O ATOM 492 CB ASP A 27 9.139 1.163 3.419 1.00 0.00 C ATOM 493 CG ASP A 27 9.458 2.033 4.619 1.00 0.00 C ATOM 494 OD1 ASP A 27 8.846 3.114 4.749 1.00 0.00 O ATOM 495 OD2 ASP A 27 10.321 1.632 5.430 1.00 0.00 O ATOM 0 H ASP A 27 10.247 3.654 2.649 1.00 0.00 H new ATOM 0 HA ASP A 27 9.194 1.268 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.164 0.697 3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.871 0.358 3.352 1.00 0.00 H new ATOM 500 N LEU A 28 6.899 2.169 1.242 1.00 0.00 N ATOM 501 CA LEU A 28 5.597 2.784 1.017 1.00 0.00 C ATOM 502 C LEU A 28 4.594 2.312 2.064 1.00 0.00 C ATOM 503 O LEU A 28 3.833 3.107 2.613 1.00 0.00 O ATOM 504 CB LEU A 28 5.091 2.434 -0.382 1.00 0.00 C ATOM 505 CG LEU A 28 5.994 2.903 -1.532 1.00 0.00 C ATOM 506 CD1 LEU A 28 5.806 2.024 -2.762 1.00 0.00 C ATOM 507 CD2 LEU A 28 5.714 4.358 -1.874 1.00 0.00 C ATOM 0 H LEU A 28 7.015 1.264 0.786 1.00 0.00 H new ATOM 0 HA LEU A 28 5.705 3.865 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.973 1.353 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.102 2.872 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 28 7.030 2.817 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.456 2.376 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.060 0.993 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.767 2.073 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.364 4.671 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.673 4.467 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.905 4.980 -1.000 1.00 0.00 H new ATOM 519 N VAL A 29 4.606 1.010 2.339 1.00 0.00 N ATOM 520 CA VAL A 29 3.705 0.426 3.325 1.00 0.00 C ATOM 521 C VAL A 29 3.942 1.045 4.698 1.00 0.00 C ATOM 522 O VAL A 29 2.997 1.412 5.398 1.00 0.00 O ATOM 523 CB VAL A 29 3.879 -1.107 3.415 1.00 0.00 C ATOM 524 CG1 VAL A 29 2.793 -1.727 4.288 1.00 0.00 C ATOM 525 CG2 VAL A 29 3.876 -1.733 2.023 1.00 0.00 C ATOM 0 H VAL A 29 5.231 0.340 1.891 1.00 0.00 H new ATOM 0 HA VAL A 29 2.686 0.639 3.000 1.00 0.00 H new ATOM 0 HB VAL A 29 4.844 -1.312 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.937 -2.806 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.851 -1.308 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.814 -1.510 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.000 -2.813 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.930 -1.515 1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.696 -1.320 1.436 1.00 0.00 H new ATOM 535 N GLU A 30 5.212 1.166 5.075 1.00 0.00 N ATOM 536 CA GLU A 30 5.577 1.751 6.362 1.00 0.00 C ATOM 537 C GLU A 30 5.314 3.254 6.353 1.00 0.00 C ATOM 538 O GLU A 30 4.587 3.774 7.197 1.00 0.00 O ATOM 539 CB GLU A 30 7.057 1.467 6.689 1.00 0.00 C ATOM 540 CG GLU A 30 7.265 0.717 7.997 1.00 0.00 C ATOM 541 CD GLU A 30 8.696 0.253 8.182 1.00 0.00 C ATOM 542 OE1 GLU A 30 9.596 1.116 8.254 1.00 0.00 O ATOM 543 OE2 GLU A 30 8.917 -0.974 8.254 1.00 0.00 O ATOM 0 H GLU A 30 6.005 0.867 4.508 1.00 0.00 H new ATOM 0 HA GLU A 30 4.961 1.292 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.494 0.888 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.597 2.413 6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.986 1.362 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.600 -0.146 8.026 1.00 0.00 H new ATOM 550 N PHE A 31 5.907 3.948 5.389 1.00 0.00 N ATOM 551 CA PHE A 31 5.729 5.389 5.271 1.00 0.00 C ATOM 552 C PHE A 31 4.246 5.759 5.193 1.00 0.00 C ATOM 553 O PHE A 31 3.857 6.871 5.551 1.00 0.00 O ATOM 554 CB PHE A 31 6.467 5.905 4.037 1.00 0.00 C ATOM 555 CG PHE A 31 6.396 7.397 3.872 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.013 8.236 4.787 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.719 7.960 2.802 1.00 0.00 C ATOM 558 CE1 PHE A 31 6.954 9.608 4.639 1.00 0.00 C ATOM 559 CE2 PHE A 31 5.657 9.332 2.650 1.00 0.00 C ATOM 560 CZ PHE A 31 6.274 10.157 3.568 1.00 0.00 C ATOM 0 H PHE A 31 6.514 3.537 4.680 1.00 0.00 H new ATOM 0 HA PHE A 31 6.146 5.858 6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.513 5.604 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.050 5.430 3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.546 7.812 5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.235 7.320 2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.438 10.251 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.125 9.759 1.812 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.226 11.229 3.450 1.00 0.00 H new ATOM 570 N ALA A 32 3.422 4.822 4.721 1.00 0.00 N ATOM 571 CA ALA A 32 1.985 5.056 4.591 1.00 0.00 C ATOM 572 C ALA A 32 1.284 5.056 5.943 1.00 0.00 C ATOM 573 O ALA A 32 0.570 6.000 6.276 1.00 0.00 O ATOM 574 CB ALA A 32 1.356 4.020 3.678 1.00 0.00 C ATOM 0 H ALA A 32 3.726 3.895 4.423 1.00 0.00 H new ATOM 0 HA ALA A 32 1.858 6.045 4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.286 4.211 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.814 4.079 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.515 3.025 4.093 1.00 0.00 H new ATOM 580 N VAL A 33 1.502 4.010 6.729 1.00 0.00 N ATOM 581 CA VAL A 33 0.892 3.926 8.048 1.00 0.00 C ATOM 582 C VAL A 33 1.539 4.952 8.969 1.00 0.00 C ATOM 583 O VAL A 33 0.898 5.455 9.886 1.00 0.00 O ATOM 584 CB VAL A 33 1.021 2.505 8.648 1.00 0.00 C ATOM 585 CG1 VAL A 33 2.446 2.209 9.096 1.00 0.00 C ATOM 586 CG2 VAL A 33 0.046 2.321 9.798 1.00 0.00 C ATOM 0 H VAL A 33 2.091 3.215 6.479 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.172 4.140 7.949 1.00 0.00 H new ATOM 0 HB VAL A 33 0.772 1.792 7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.495 1.202 9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.119 2.282 8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.746 2.930 9.856 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.151 1.316 10.207 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.259 3.054 10.576 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.973 2.461 9.437 1.00 0.00 H new ATOM 596 N GLU A 34 2.798 5.277 8.722 1.00 0.00 N ATOM 597 CA GLU A 34 3.492 6.261 9.543 1.00 0.00 C ATOM 598 C GLU A 34 2.939 7.662 9.281 1.00 0.00 C ATOM 599 O GLU A 34 2.805 8.470 10.200 1.00 0.00 O ATOM 600 CB GLU A 34 4.996 6.226 9.258 1.00 0.00 C ATOM 601 CG GLU A 34 5.688 4.979 9.788 1.00 0.00 C ATOM 602 CD GLU A 34 5.860 5.000 11.294 1.00 0.00 C ATOM 603 OE1 GLU A 34 4.909 4.613 12.006 1.00 0.00 O ATOM 604 OE2 GLU A 34 6.946 5.403 11.762 1.00 0.00 O ATOM 0 H GLU A 34 3.357 4.879 7.967 1.00 0.00 H new ATOM 0 HA GLU A 34 3.328 6.012 10.591 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.155 6.290 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.462 7.106 9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.110 4.100 9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.666 4.883 9.316 1.00 0.00 H new ATOM 611 N TYR A 35 2.628 7.942 8.019 1.00 0.00 N ATOM 612 CA TYR A 35 2.094 9.243 7.619 1.00 0.00 C ATOM 613 C TYR A 35 0.604 9.387 7.937 1.00 0.00 C ATOM 614 O TYR A 35 0.167 10.434 8.413 1.00 0.00 O ATOM 615 CB TYR A 35 2.325 9.468 6.122 1.00 0.00 C ATOM 616 CG TYR A 35 1.784 10.789 5.611 1.00 0.00 C ATOM 617 CD1 TYR A 35 0.428 10.953 5.358 1.00 0.00 C ATOM 618 CD2 TYR A 35 2.629 11.869 5.379 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.072 12.154 4.889 1.00 0.00 C ATOM 620 CE2 TYR A 35 2.136 13.074 4.911 1.00 0.00 C ATOM 621 CZ TYR A 35 0.785 13.211 4.667 1.00 0.00 C ATOM 622 OH TYR A 35 0.288 14.410 4.202 1.00 0.00 O ATOM 0 H TYR A 35 2.737 7.281 7.250 1.00 0.00 H new ATOM 0 HA TYR A 35 2.627 9.998 8.197 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.395 9.421 5.918 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.858 8.655 5.566 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.248 10.128 5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.687 11.765 5.567 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.129 12.264 4.697 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.806 13.903 4.737 1.00 0.00 H new ATOM 0 HH TYR A 35 1.011 14.925 3.787 1.00 0.00 H new ATOM 632 N PHE A 36 -0.181 8.352 7.640 1.00 0.00 N ATOM 633 CA PHE A 36 -1.623 8.398 7.865 1.00 0.00 C ATOM 634 C PHE A 36 -1.987 8.354 9.353 1.00 0.00 C ATOM 635 O PHE A 36 -2.761 9.189 9.822 1.00 0.00 O ATOM 636 CB PHE A 36 -2.315 7.254 7.104 1.00 0.00 C ATOM 637 CG PHE A 36 -2.770 7.643 5.721 1.00 0.00 C ATOM 638 CD1 PHE A 36 -1.916 7.526 4.633 1.00 0.00 C ATOM 639 CD2 PHE A 36 -4.051 8.131 5.509 1.00 0.00 C ATOM 640 CE1 PHE A 36 -2.332 7.890 3.365 1.00 0.00 C ATOM 641 CE2 PHE A 36 -4.471 8.494 4.245 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.611 8.374 3.171 1.00 0.00 C ATOM 0 H PHE A 36 0.157 7.475 7.244 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.980 9.354 7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.629 6.411 7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.176 6.914 7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.915 7.146 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.729 8.228 6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.657 7.796 2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.472 8.872 4.096 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.938 8.658 2.182 1.00 0.00 H new ATOM 652 N THR A 37 -1.450 7.386 10.093 1.00 0.00 N ATOM 653 CA THR A 37 -1.765 7.275 11.519 1.00 0.00 C ATOM 654 C THR A 37 -1.458 8.575 12.255 1.00 0.00 C ATOM 655 O THR A 37 -2.311 9.110 12.964 1.00 0.00 O ATOM 656 CB THR A 37 -1.013 6.115 12.168 1.00 0.00 C ATOM 657 OG1 THR A 37 0.387 6.255 12.001 1.00 0.00 O ATOM 658 CG2 THR A 37 -1.421 4.761 11.628 1.00 0.00 C ATOM 0 H THR A 37 -0.806 6.678 9.739 1.00 0.00 H new ATOM 0 HA THR A 37 -2.834 7.077 11.597 1.00 0.00 H new ATOM 0 HB THR A 37 -1.279 6.157 13.224 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.606 6.236 11.046 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.849 3.981 12.131 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.485 4.604 11.807 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.223 4.722 10.557 1.00 0.00 H new ATOM 666 N ARG A 38 -0.241 9.085 12.085 1.00 0.00 N ATOM 667 CA ARG A 38 0.160 10.329 12.739 1.00 0.00 C ATOM 668 C ARG A 38 -0.843 11.441 12.434 1.00 0.00 C ATOM 669 O ARG A 38 -1.332 12.114 13.341 1.00 0.00 O ATOM 670 CB ARG A 38 1.575 10.737 12.296 1.00 0.00 C ATOM 671 CG ARG A 38 2.671 10.223 13.221 1.00 0.00 C ATOM 672 CD ARG A 38 4.055 10.377 12.609 1.00 0.00 C ATOM 673 NE ARG A 38 4.400 11.778 12.354 1.00 0.00 N ATOM 674 CZ ARG A 38 4.274 12.388 11.173 1.00 0.00 C ATOM 675 NH1 ARG A 38 3.780 11.745 10.120 1.00 0.00 N ATOM 676 NH2 ARG A 38 4.642 13.657 11.046 1.00 0.00 N ATOM 0 H ARG A 38 0.481 8.660 11.504 1.00 0.00 H new ATOM 0 HA ARG A 38 0.172 10.166 13.817 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.755 10.362 11.289 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.633 11.824 12.246 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.631 10.765 14.166 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.490 9.172 13.448 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.796 9.939 13.278 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.100 9.819 11.674 1.00 0.00 H new ATOM 0 HE ARG A 38 4.762 12.326 13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.490 10.771 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.690 12.226 9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.019 14.161 11.848 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.548 14.128 10.146 1.00 0.00 H new ATOM 690 N LEU A 39 -1.151 11.623 11.153 1.00 0.00 N ATOM 691 CA LEU A 39 -2.097 12.644 10.728 1.00 0.00 C ATOM 692 C LEU A 39 -3.374 12.580 11.569 1.00 0.00 C ATOM 693 O LEU A 39 -3.802 13.581 12.141 1.00 0.00 O ATOM 694 CB LEU A 39 -2.430 12.469 9.240 1.00 0.00 C ATOM 695 CG LEU A 39 -2.772 13.771 8.500 1.00 0.00 C ATOM 696 CD1 LEU A 39 -1.558 14.306 7.751 1.00 0.00 C ATOM 697 CD2 LEU A 39 -3.940 13.566 7.541 1.00 0.00 C ATOM 0 H LEU A 39 -0.756 11.073 10.390 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.639 13.622 10.874 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.581 11.998 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.272 11.783 9.149 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.068 14.508 9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.826 15.228 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.753 14.506 8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.225 13.567 7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.161 14.504 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.678 12.806 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.818 13.242 8.100 1.00 0.00 H new ATOM 709 N ARG A 40 -3.967 11.392 11.639 1.00 0.00 N ATOM 710 CA ARG A 40 -5.184 11.183 12.405 1.00 0.00 C ATOM 711 C ARG A 40 -4.963 11.481 13.886 1.00 0.00 C ATOM 712 O ARG A 40 -5.662 12.304 14.475 1.00 0.00 O ATOM 713 CB ARG A 40 -5.651 9.740 12.222 1.00 0.00 C ATOM 714 CG ARG A 40 -7.159 9.582 12.195 1.00 0.00 C ATOM 715 CD ARG A 40 -7.555 8.144 12.455 1.00 0.00 C ATOM 716 NE ARG A 40 -7.618 7.864 13.883 1.00 0.00 N ATOM 717 CZ ARG A 40 -7.850 6.659 14.398 1.00 0.00 C ATOM 718 NH1 ARG A 40 -8.034 5.614 13.600 1.00 0.00 N ATOM 719 NH2 ARG A 40 -7.895 6.498 15.714 1.00 0.00 N ATOM 0 H ARG A 40 -3.619 10.556 11.170 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.949 11.868 12.040 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.238 9.350 11.292 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.246 9.132 13.031 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.610 10.230 12.947 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.545 9.901 11.227 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.525 7.943 11.999 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.836 7.475 11.982 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.475 8.640 14.529 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.998 5.733 12.588 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.211 4.692 13.999 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.752 7.298 16.331 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.073 5.575 16.109 1.00 0.00 H new ATOM 963 N PRO B 7 8.809 4.421 -7.691 1.00 0.00 N ATOM 964 CA PRO B 7 8.122 3.302 -8.345 1.00 0.00 C ATOM 965 C PRO B 7 7.347 2.426 -7.360 1.00 0.00 C ATOM 966 O PRO B 7 7.820 2.137 -6.262 1.00 0.00 O ATOM 967 CB PRO B 7 9.272 2.517 -8.978 1.00 0.00 C ATOM 968 CG PRO B 7 10.296 3.552 -9.289 1.00 0.00 C ATOM 969 CD PRO B 7 10.192 4.583 -8.192 1.00 0.00 C ATOM 0 HA PRO B 7 7.370 3.643 -9.057 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.663 1.763 -8.294 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.949 1.994 -9.878 1.00 0.00 H new ATOM 0 HG2 PRO B 7 11.294 3.116 -9.321 1.00 0.00 H new ATOM 0 HG3 PRO B 7 10.113 4.001 -10.265 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.926 4.407 -7.406 1.00 0.00 H new ATOM 0 HD3 PRO B 7 10.366 5.590 -8.571 1.00 0.00 H new ATOM 977 N GLY B 8 6.149 2.006 -7.767 1.00 0.00 N ATOM 978 CA GLY B 8 5.319 1.168 -6.915 1.00 0.00 C ATOM 979 C GLY B 8 4.294 1.970 -6.137 1.00 0.00 C ATOM 980 O GLY B 8 3.225 1.460 -5.800 1.00 0.00 O ATOM 0 H GLY B 8 5.738 2.232 -8.673 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.807 0.426 -7.528 1.00 0.00 H new ATOM 0 HA3 GLY B 8 5.954 0.622 -6.218 1.00 0.00 H new ATOM 984 N LEU B 9 4.611 3.231 -5.861 1.00 0.00 N ATOM 985 CA LEU B 9 3.696 4.100 -5.128 1.00 0.00 C ATOM 986 C LEU B 9 2.371 4.227 -5.864 1.00 0.00 C ATOM 987 O LEU B 9 1.310 4.285 -5.242 1.00 0.00 O ATOM 988 CB LEU B 9 4.306 5.487 -4.935 1.00 0.00 C ATOM 989 CG LEU B 9 3.394 6.487 -4.189 1.00 0.00 C ATOM 990 CD1 LEU B 9 4.087 7.067 -2.958 1.00 0.00 C ATOM 991 CD2 LEU B 9 2.922 7.601 -5.119 1.00 0.00 C ATOM 0 H LEU B 9 5.490 3.673 -6.132 1.00 0.00 H new ATOM 0 HA LEU B 9 3.520 3.650 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.241 5.386 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.555 5.900 -5.912 1.00 0.00 H new ATOM 0 HG LEU B 9 2.518 5.935 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU B 9 3.416 7.766 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU B 9 4.346 6.260 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU B 9 4.994 7.589 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.282 8.289 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU B 9 3.786 8.141 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU B 9 2.361 7.170 -5.948 1.00 0.00 H new ATOM 1003 N THR B 10 2.430 4.271 -7.189 1.00 0.00 N ATOM 1004 CA THR B 10 1.220 4.392 -7.991 1.00 0.00 C ATOM 1005 C THR B 10 0.235 3.274 -7.660 1.00 0.00 C ATOM 1006 O THR B 10 -0.953 3.516 -7.462 1.00 0.00 O ATOM 1007 CB THR B 10 1.549 4.365 -9.484 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.517 5.348 -9.804 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.339 4.601 -10.370 1.00 0.00 C ATOM 0 H THR B 10 3.295 4.225 -7.727 1.00 0.00 H new ATOM 0 HA THR B 10 0.759 5.350 -7.751 1.00 0.00 H new ATOM 0 HB THR B 10 1.929 3.362 -9.677 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.714 5.313 -10.763 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.642 4.569 -11.416 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.405 3.826 -10.184 1.00 0.00 H new ATOM 0 HG23 THR B 10 -0.091 5.577 -10.147 1.00 0.00 H new ATOM 1017 N GLU B 11 0.745 2.048 -7.607 1.00 0.00 N ATOM 1018 CA GLU B 11 -0.079 0.882 -7.306 1.00 0.00 C ATOM 1019 C GLU B 11 -0.595 0.910 -5.869 1.00 0.00 C ATOM 1020 O GLU B 11 -1.739 0.537 -5.606 1.00 0.00 O ATOM 1021 CB GLU B 11 0.718 -0.403 -7.545 1.00 0.00 C ATOM 1022 CG GLU B 11 -0.126 -1.664 -7.484 1.00 0.00 C ATOM 1023 CD GLU B 11 0.704 -2.928 -7.596 1.00 0.00 C ATOM 1024 OE1 GLU B 11 1.075 -3.295 -8.732 1.00 0.00 O ATOM 1025 OE2 GLU B 11 0.983 -3.550 -6.551 1.00 0.00 O ATOM 0 H GLU B 11 1.729 1.835 -7.769 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.941 0.907 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.199 -0.345 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU B 11 1.512 -0.471 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -0.681 -1.680 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -0.861 -1.644 -8.289 1.00 0.00 H new ATOM 1032 N LEU B 12 0.249 1.346 -4.937 1.00 0.00 N ATOM 1033 CA LEU B 12 -0.134 1.408 -3.528 1.00 0.00 C ATOM 1034 C LEU B 12 -1.334 2.333 -3.329 1.00 0.00 C ATOM 1035 O LEU B 12 -2.335 1.938 -2.731 1.00 0.00 O ATOM 1036 CB LEU B 12 1.051 1.871 -2.665 1.00 0.00 C ATOM 1037 CG LEU B 12 1.873 0.748 -2.021 1.00 0.00 C ATOM 1038 CD1 LEU B 12 1.023 -0.064 -1.047 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.477 -0.154 -3.091 1.00 0.00 C ATOM 0 H LEU B 12 1.200 1.661 -5.131 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.421 0.405 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.715 2.476 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.672 2.520 -1.875 1.00 0.00 H new ATOM 0 HG LEU B 12 2.686 1.205 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.631 -0.854 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.648 0.589 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.183 -0.509 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU B 12 3.057 -0.945 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.679 -0.597 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.128 0.434 -3.738 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.242 3.554 -3.846 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.338 4.507 -3.729 1.00 0.00 C ATOM 1053 C LEU B 13 -3.561 3.968 -4.466 1.00 0.00 C ATOM 1054 O LEU B 13 -4.699 4.176 -4.043 1.00 0.00 O ATOM 1055 CB LEU B 13 -1.928 5.875 -4.300 1.00 0.00 C ATOM 1056 CG LEU B 13 -1.204 6.808 -3.319 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.050 6.085 -2.633 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -0.712 8.060 -4.041 1.00 0.00 C ATOM 0 H LEU B 13 -0.425 3.905 -4.347 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.583 4.640 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.282 5.711 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.823 6.381 -4.663 1.00 0.00 H new ATOM 0 HG LEU B 13 -1.912 7.113 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.447 6.766 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.435 5.227 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU B 13 0.663 5.744 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.201 8.712 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.022 7.775 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.562 8.589 -4.472 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.311 3.266 -5.566 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.384 2.683 -6.365 1.00 0.00 C ATOM 1072 C GLN B 14 -5.067 1.545 -5.611 1.00 0.00 C ATOM 1073 O GLN B 14 -6.295 1.472 -5.556 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.838 2.168 -7.701 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.920 1.939 -8.757 1.00 0.00 C ATOM 1076 CD GLN B 14 -4.729 0.651 -9.539 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -3.483 0.340 -9.873 1.00 0.00 O flip ATOM 1078 NE2 GLN B 14 -5.692 -0.056 -9.837 1.00 0.00 N flip ATOM 0 H GLN B 14 -2.373 3.086 -5.925 1.00 0.00 H new ATOM 0 HA GLN B 14 -5.120 3.463 -6.559 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -3.111 2.883 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -3.305 1.233 -7.530 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.895 1.920 -8.271 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.926 2.780 -9.450 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -6.634 0.221 -9.560 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -5.548 -0.919 -10.361 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.262 0.659 -5.030 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.801 -0.467 -4.285 1.00 0.00 C ATOM 1089 C GLY B 15 -5.810 -0.044 -3.235 1.00 0.00 C ATOM 1090 O GLY B 15 -6.786 -0.747 -2.978 1.00 0.00 O ATOM 0 H GLY B 15 -3.243 0.701 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.274 -1.163 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.984 -1.003 -3.803 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.564 1.108 -2.623 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.449 1.642 -1.592 1.00 0.00 C ATOM 1096 C TYR B 16 -7.661 2.341 -2.208 1.00 0.00 C ATOM 1097 O TYR B 16 -8.797 2.120 -1.790 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.679 2.619 -0.700 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.552 3.368 0.285 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -7.115 2.717 1.374 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -6.810 4.725 0.127 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.910 3.393 2.278 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.605 5.409 1.028 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.152 4.739 2.100 1.00 0.00 C ATOM 1105 OH TYR B 16 -8.943 5.417 2.998 1.00 0.00 O ATOM 0 H TYR B 16 -4.754 1.694 -2.824 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.811 0.808 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.916 2.069 -0.149 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.159 3.340 -1.331 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.928 1.663 1.517 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.383 5.253 -0.713 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.340 2.871 3.120 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.796 6.463 0.892 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.429 6.149 3.399 1.00 0.00 H new ATOM 1115 N THR B 17 -7.404 3.197 -3.194 1.00 0.00 N ATOM 1116 CA THR B 17 -8.461 3.952 -3.863 1.00 0.00 C ATOM 1117 C THR B 17 -9.555 3.038 -4.416 1.00 0.00 C ATOM 1118 O THR B 17 -10.742 3.294 -4.213 1.00 0.00 O ATOM 1119 CB THR B 17 -7.865 4.804 -4.987 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.722 5.503 -4.527 1.00 0.00 O ATOM 1121 CG2 THR B 17 -8.829 5.833 -5.545 1.00 0.00 C ATOM 0 H THR B 17 -6.467 3.386 -3.549 1.00 0.00 H new ATOM 0 HA THR B 17 -8.924 4.602 -3.120 1.00 0.00 H new ATOM 0 HB THR B 17 -7.615 4.098 -5.779 1.00 0.00 H new ATOM 0 HG1 THR B 17 -5.921 4.961 -4.686 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.339 6.399 -6.337 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.706 5.328 -5.950 1.00 0.00 H new ATOM 0 HG23 THR B 17 -9.136 6.512 -4.750 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.163 1.977 -5.116 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.134 1.041 -5.689 1.00 0.00 C ATOM 1131 C VAL B 18 -11.129 0.570 -4.633 1.00 0.00 C ATOM 1132 O VAL B 18 -12.289 0.286 -4.933 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.450 -0.203 -6.297 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.557 0.184 -7.471 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.663 -0.952 -5.229 1.00 0.00 C ATOM 0 H VAL B 18 -8.188 1.742 -5.301 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.653 1.585 -6.478 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.224 -0.869 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.087 -0.710 -7.881 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.158 0.664 -8.243 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.786 0.875 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -8.187 -1.826 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.899 -0.295 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.339 -1.271 -4.436 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.657 0.494 -3.394 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.484 0.062 -2.275 1.00 0.00 C ATOM 1147 C GLU B 19 -12.437 1.178 -1.853 1.00 0.00 C ATOM 1148 O GLU B 19 -13.610 0.934 -1.579 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.598 -0.359 -1.098 1.00 0.00 C ATOM 1150 CG GLU B 19 -11.288 -1.293 -0.116 1.00 0.00 C ATOM 1151 CD GLU B 19 -10.450 -1.565 1.119 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -10.004 -0.591 1.760 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -10.241 -2.753 1.443 1.00 0.00 O ATOM 0 H GLU B 19 -9.698 0.728 -3.139 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.079 -0.796 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -9.704 -0.849 -1.485 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -10.268 0.533 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -12.241 -0.858 0.185 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -11.511 -2.237 -0.614 1.00 0.00 H new ATOM 1160 N VAL B 20 -11.923 2.403 -1.814 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.726 3.560 -1.436 1.00 0.00 C ATOM 1162 C VAL B 20 -13.904 3.739 -2.389 1.00 0.00 C ATOM 1163 O VAL B 20 -15.038 3.951 -1.963 1.00 0.00 O ATOM 1164 CB VAL B 20 -11.874 4.851 -1.430 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.696 6.051 -0.973 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -10.642 4.675 -0.548 1.00 0.00 C ATOM 0 H VAL B 20 -10.952 2.620 -2.040 1.00 0.00 H new ATOM 0 HA VAL B 20 -13.103 3.379 -0.429 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.544 5.041 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.071 6.944 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -13.539 6.194 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.067 5.875 0.037 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -10.055 5.593 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -10.954 4.453 0.472 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.036 3.853 -0.929 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.616 3.668 -3.680 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.635 3.836 -4.710 1.00 0.00 C ATOM 1178 C LEU B 21 -15.777 2.830 -4.558 1.00 0.00 C ATOM 1179 O LEU B 21 -16.951 3.199 -4.610 1.00 0.00 O ATOM 1180 CB LEU B 21 -13.998 3.686 -6.096 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.080 4.844 -6.514 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -12.010 4.366 -7.488 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -13.891 5.984 -7.123 1.00 0.00 C ATOM 0 H LEU B 21 -12.679 3.494 -4.043 1.00 0.00 H new ATOM 0 HA LEU B 21 -15.057 4.835 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.423 2.760 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -14.792 3.586 -6.836 1.00 0.00 H new ATOM 0 HG LEU B 21 -12.582 5.218 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -11.373 5.205 -7.769 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -11.405 3.594 -7.013 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -12.486 3.957 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -13.221 6.794 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -14.423 5.622 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -14.609 6.352 -6.390 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.425 1.557 -4.410 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.415 0.487 -4.295 1.00 0.00 C ATOM 1197 C ARG B 22 -16.926 0.294 -2.862 1.00 0.00 C ATOM 1198 O ARG B 22 -18.011 -0.250 -2.662 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.813 -0.819 -4.827 1.00 0.00 C ATOM 1200 CG ARG B 22 -16.678 -2.061 -4.591 1.00 0.00 C ATOM 1201 CD ARG B 22 -16.202 -2.857 -3.385 1.00 0.00 C ATOM 1202 NE ARG B 22 -14.820 -3.305 -3.541 1.00 0.00 N ATOM 1203 CZ ARG B 22 -14.456 -4.359 -4.272 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -15.364 -5.066 -4.935 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -13.177 -4.700 -4.349 1.00 0.00 N ATOM 0 H ARG B 22 -14.457 1.238 -4.366 1.00 0.00 H new ATOM 0 HA ARG B 22 -17.280 0.776 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -15.636 -0.713 -5.897 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -14.842 -0.974 -4.357 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -17.715 -1.759 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -16.655 -2.695 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -16.286 -2.243 -2.488 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -16.850 -3.721 -3.241 1.00 0.00 H new ATOM 0 HE ARG B 22 -14.089 -2.779 -3.061 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -16.349 -4.804 -4.887 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -15.077 -5.871 -5.492 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.473 -4.156 -3.849 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.897 -5.506 -4.908 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.150 0.722 -1.866 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.553 0.562 -0.467 1.00 0.00 C ATOM 1221 C GLN B 23 -17.188 1.835 0.071 1.00 0.00 C ATOM 1222 O GLN B 23 -18.224 1.794 0.736 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.345 0.182 0.394 1.00 0.00 C ATOM 1224 CG GLN B 23 -15.721 -0.346 1.769 1.00 0.00 C ATOM 1225 CD GLN B 23 -16.407 -1.698 1.709 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -17.617 -1.802 1.904 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -15.633 -2.744 1.439 1.00 0.00 N ATOM 0 H GLN B 23 -15.247 1.178 -1.999 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.293 -0.237 -0.422 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -14.760 -0.574 -0.129 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -14.704 1.056 0.512 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -14.823 -0.426 2.381 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -16.380 0.370 2.261 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -14.634 -2.612 1.284 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -16.038 -3.679 1.387 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.554 2.963 -0.216 1.00 0.00 N ATOM 1237 CA GLN B 24 -17.045 4.254 0.239 1.00 0.00 C ATOM 1238 C GLN B 24 -17.165 4.279 1.766 1.00 0.00 C ATOM 1239 O GLN B 24 -18.231 3.993 2.315 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.400 4.568 -0.400 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.389 4.485 -1.919 1.00 0.00 C ATOM 1242 CD GLN B 24 -17.676 5.658 -2.564 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -17.237 6.584 -1.884 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -17.558 5.623 -3.888 1.00 0.00 N ATOM 0 H GLN B 24 -15.695 3.009 -0.764 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.329 5.017 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.145 3.874 -0.012 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.710 5.569 -0.101 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -17.904 3.558 -2.225 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -19.415 4.444 -2.284 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -17.937 4.835 -4.413 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -17.088 6.384 -4.378 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.069 4.607 2.478 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.050 4.652 3.940 1.00 0.00 C ATOM 1255 C PRO B 25 -16.459 6.013 4.493 1.00 0.00 C ATOM 1256 O PRO B 25 -16.556 6.988 3.749 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.582 4.371 4.242 1.00 0.00 C ATOM 1258 CG PRO B 25 -13.857 5.056 3.134 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.749 4.950 1.916 1.00 0.00 C ATOM 0 HA PRO B 25 -16.753 3.953 4.393 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.291 4.765 5.215 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.374 3.301 4.256 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.661 6.099 3.383 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -12.891 4.585 2.951 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.782 5.887 1.361 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.396 4.183 1.227 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.696 6.107 5.818 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.081 7.366 6.455 1.00 0.00 C ATOM 1269 C PRO B 26 -15.916 8.351 6.500 1.00 0.00 C ATOM 1270 O PRO B 26 -16.104 9.556 6.328 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.501 6.952 7.881 1.00 0.00 C ATOM 1272 CG PRO B 26 -17.560 5.459 7.866 1.00 0.00 C ATOM 1273 CD PRO B 26 -16.602 5.016 6.799 1.00 0.00 C ATOM 0 HA PRO B 26 -17.875 7.875 5.909 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -16.783 7.308 8.620 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.468 7.380 8.144 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.280 5.048 8.836 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -18.570 5.111 7.652 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -15.589 4.902 7.184 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -16.889 4.057 6.368 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.711 7.826 6.733 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.507 8.653 6.801 1.00 0.00 C ATOM 1283 C ASP B 27 -12.386 8.037 5.972 1.00 0.00 C ATOM 1284 O ASP B 27 -12.134 6.836 6.047 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.063 8.828 8.260 1.00 0.00 C ATOM 1286 CG ASP B 27 -12.354 10.148 8.500 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -11.985 10.812 7.509 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -12.168 10.516 9.679 1.00 0.00 O ATOM 0 H ASP B 27 -14.544 6.830 6.878 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.738 9.635 6.388 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.935 8.764 8.911 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.399 8.008 8.535 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.719 8.867 5.179 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.628 8.401 4.333 1.00 0.00 C ATOM 1295 C LEU B 28 -9.385 8.090 5.162 1.00 0.00 C ATOM 1296 O LEU B 28 -8.729 7.069 4.954 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.299 9.447 3.267 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.467 9.834 2.354 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -11.118 11.066 1.532 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -11.843 8.671 1.444 1.00 0.00 C ATOM 0 H LEU B 28 -11.915 9.865 5.104 1.00 0.00 H new ATOM 0 HA LEU B 28 -10.951 7.482 3.843 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -9.933 10.346 3.763 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.485 9.069 2.649 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.327 10.072 2.979 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.960 11.325 0.890 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -10.901 11.900 2.200 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.243 10.857 0.916 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -12.674 8.965 0.803 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -10.986 8.401 0.826 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -12.138 7.815 2.051 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.064 8.979 6.096 1.00 0.00 N ATOM 1313 CA VAL B 29 -7.894 8.800 6.950 1.00 0.00 C ATOM 1314 C VAL B 29 -8.018 7.550 7.823 1.00 0.00 C ATOM 1315 O VAL B 29 -7.062 6.789 7.958 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.647 10.035 7.847 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -8.829 10.289 8.772 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -6.361 9.873 8.648 1.00 0.00 C ATOM 0 H VAL B 29 -9.596 9.829 6.281 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.041 8.677 6.283 1.00 0.00 H new ATOM 0 HB VAL B 29 -7.539 10.903 7.197 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -8.626 11.163 9.390 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -9.725 10.465 8.177 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -8.983 9.420 9.412 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -6.208 10.754 9.272 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -6.435 8.989 9.281 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -5.519 9.761 7.965 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.191 7.343 8.417 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.419 6.184 9.280 1.00 0.00 C ATOM 1330 C GLU B 30 -9.481 4.897 8.459 1.00 0.00 C ATOM 1331 O GLU B 30 -9.056 3.836 8.918 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.714 6.363 10.080 1.00 0.00 C ATOM 1333 CG GLU B 30 -10.755 5.550 11.366 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.133 5.522 11.997 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -13.039 4.889 11.415 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -12.308 6.134 13.072 1.00 0.00 O ATOM 0 H GLU B 30 -9.997 7.960 8.318 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.582 6.108 9.974 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.838 7.418 10.323 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.560 6.079 9.454 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.435 4.529 11.156 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.042 5.967 12.078 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.010 4.992 7.245 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.111 3.827 6.372 1.00 0.00 C ATOM 1345 C PHE B 31 -8.735 3.423 5.840 1.00 0.00 C ATOM 1346 O PHE B 31 -8.490 2.249 5.562 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.066 4.117 5.215 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.430 2.895 4.422 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -12.157 1.871 5.007 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -11.052 2.771 3.094 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.498 0.745 4.286 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.393 1.646 2.368 1.00 0.00 C ATOM 1353 CZ PHE B 31 -12.117 0.632 2.965 1.00 0.00 C ATOM 0 H PHE B 31 -10.373 5.857 6.844 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.506 2.995 6.955 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -11.976 4.570 5.609 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.608 4.849 4.550 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.461 1.955 6.040 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.486 3.561 2.623 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -13.063 -0.047 4.755 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -11.094 1.559 1.334 1.00 0.00 H new ATOM 0 HZ PHE B 31 -12.384 -0.248 2.398 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.842 4.402 5.704 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.488 4.152 5.211 1.00 0.00 C ATOM 1365 C ALA B 32 -5.600 3.552 6.294 1.00 0.00 C ATOM 1366 O ALA B 32 -4.965 2.517 6.087 1.00 0.00 O ATOM 1367 CB ALA B 32 -5.878 5.438 4.680 1.00 0.00 C ATOM 0 H ALA B 32 -8.032 5.379 5.929 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.556 3.427 4.400 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -4.870 5.239 4.316 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.490 5.821 3.863 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -5.836 6.178 5.479 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.555 4.211 7.445 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.739 3.748 8.565 1.00 0.00 C ATOM 1375 C VAL B 33 -4.912 2.250 8.802 1.00 0.00 C ATOM 1376 O VAL B 33 -3.939 1.533 9.014 1.00 0.00 O ATOM 1377 CB VAL B 33 -5.060 4.517 9.866 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -4.519 5.935 9.798 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -6.549 4.518 10.140 1.00 0.00 C ATOM 0 H VAL B 33 -6.074 5.069 7.629 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.702 3.945 8.293 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.568 4.006 10.693 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -4.756 6.459 10.724 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -3.438 5.906 9.664 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -4.975 6.459 8.958 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.749 5.065 11.061 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.071 4.998 9.312 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -6.900 3.492 10.244 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.155 1.780 8.759 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.444 0.363 8.968 1.00 0.00 C ATOM 1391 C GLU B 34 -6.015 -0.469 7.761 1.00 0.00 C ATOM 1392 O GLU B 34 -5.561 -1.603 7.906 1.00 0.00 O ATOM 1393 CB GLU B 34 -7.938 0.158 9.234 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.412 0.765 10.545 1.00 0.00 C ATOM 1395 CD GLU B 34 -9.767 0.240 10.979 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -10.788 0.718 10.445 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -9.805 -0.652 11.854 1.00 0.00 O ATOM 0 H GLU B 34 -6.977 2.357 8.582 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.876 0.030 9.836 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.508 0.595 8.414 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.154 -0.910 9.239 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -7.679 0.554 11.324 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.464 1.849 10.441 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.169 0.103 6.573 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.807 -0.583 5.337 1.00 0.00 C ATOM 1406 C TYR B 35 -4.301 -0.822 5.256 1.00 0.00 C ATOM 1407 O TYR B 35 -3.865 -1.874 4.787 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.273 0.236 4.127 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.859 -0.342 2.787 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.560 -0.189 2.316 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -6.769 -1.030 1.987 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -4.179 -0.704 1.090 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -6.393 -1.548 0.762 1.00 0.00 C ATOM 1414 CZ TYR B 35 -5.098 -1.382 0.318 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.720 -1.896 -0.901 1.00 0.00 O ATOM 0 H TYR B 35 -6.543 1.042 6.438 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.304 -1.553 5.331 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.360 0.318 4.155 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.875 1.247 4.212 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -3.836 0.341 2.917 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -7.785 -1.161 2.330 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -3.166 -0.575 0.739 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -7.110 -2.080 0.155 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.485 -2.345 -1.318 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.501 0.146 5.697 1.00 0.00 N ATOM 1426 CA PHE B 36 -2.049 0.008 5.644 1.00 0.00 C ATOM 1427 C PHE B 36 -1.525 -0.894 6.763 1.00 0.00 C ATOM 1428 O PHE B 36 -0.560 -1.632 6.568 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.384 1.386 5.690 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.414 2.093 4.361 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.639 1.633 3.309 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.221 3.204 4.158 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.664 2.266 2.082 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.251 3.839 2.930 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.470 3.369 1.890 1.00 0.00 C ATOM 0 H PHE B 36 -3.830 1.027 6.092 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.791 -0.472 4.700 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -1.887 2.002 6.436 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.349 1.274 6.014 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -0.007 0.768 3.450 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -2.832 3.576 4.967 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -0.052 1.897 1.272 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -2.884 4.702 2.783 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.491 3.864 0.930 1.00 0.00 H new ATOM 1445 N THR B 37 -2.165 -0.845 7.929 1.00 0.00 N ATOM 1446 CA THR B 37 -1.746 -1.681 9.054 1.00 0.00 C ATOM 1447 C THR B 37 -1.998 -3.152 8.735 1.00 0.00 C ATOM 1448 O THR B 37 -1.158 -4.013 8.998 1.00 0.00 O ATOM 1449 CB THR B 37 -2.495 -1.290 10.333 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.883 -1.541 10.194 1.00 0.00 O ATOM 1451 CG2 THR B 37 -2.327 0.168 10.721 1.00 0.00 C ATOM 0 H THR B 37 -2.966 -0.243 8.120 1.00 0.00 H new ATOM 0 HA THR B 37 -0.680 -1.525 9.217 1.00 0.00 H new ATOM 0 HB THR B 37 -2.054 -1.903 11.119 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.161 -1.341 9.276 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.886 0.368 11.635 1.00 0.00 H new ATOM 0 HG22 THR B 37 -1.271 0.381 10.887 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.703 0.804 9.919 1.00 0.00 H new ATOM 1459 N ARG B 38 -3.163 -3.422 8.157 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.540 -4.783 7.786 1.00 0.00 C ATOM 1461 C ARG B 38 -2.551 -5.352 6.773 1.00 0.00 C ATOM 1462 O ARG B 38 -2.187 -6.525 6.836 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.962 -4.807 7.217 1.00 0.00 C ATOM 1464 CG ARG B 38 -6.042 -4.685 8.283 1.00 0.00 C ATOM 1465 CD ARG B 38 -7.433 -4.648 7.670 1.00 0.00 C ATOM 1466 NE ARG B 38 -8.449 -4.256 8.646 1.00 0.00 N ATOM 1467 CZ ARG B 38 -9.759 -4.295 8.410 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -10.218 -4.705 7.234 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -10.612 -3.920 9.352 1.00 0.00 N ATOM 0 H ARG B 38 -3.865 -2.716 7.934 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.515 -5.405 8.681 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.073 -3.991 6.503 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -5.109 -5.736 6.666 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.970 -5.526 8.972 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -5.877 -3.779 8.867 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -7.443 -3.948 6.835 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.678 -5.630 7.266 1.00 0.00 H new ATOM 0 HE ARG B 38 -8.136 -3.934 9.562 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -9.566 -4.993 6.504 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -11.223 -4.732 7.060 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -10.265 -3.602 10.257 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.616 -3.949 9.172 1.00 0.00 H new ATOM 1483 N LEU B 39 -2.127 -4.515 5.833 1.00 0.00 N ATOM 1484 CA LEU B 39 -1.188 -4.940 4.797 1.00 0.00 C ATOM 1485 C LEU B 39 0.118 -5.446 5.410 1.00 0.00 C ATOM 1486 O LEU B 39 0.544 -6.569 5.142 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.905 -3.788 3.813 1.00 0.00 C ATOM 1488 CG LEU B 39 -1.519 -3.957 2.417 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -1.492 -2.640 1.656 1.00 0.00 C ATOM 1490 CD2 LEU B 39 -0.783 -5.038 1.636 1.00 0.00 C ATOM 0 H LEU B 39 -2.417 -3.539 5.765 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.648 -5.762 4.249 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.278 -2.860 4.247 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.174 -3.679 3.707 1.00 0.00 H new ATOM 0 HG LEU B 39 -2.558 -4.264 2.536 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -1.932 -2.781 0.669 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -2.064 -1.891 2.204 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -0.461 -2.303 1.549 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -1.233 -5.144 0.649 1.00 0.00 H new ATOM 0 HD22 LEU B 39 0.265 -4.760 1.529 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -0.854 -5.985 2.170 1.00 0.00 H new ATOM 1502 N ARG B 40 0.756 -4.608 6.220 1.00 0.00 N ATOM 1503 CA ARG B 40 2.018 -4.974 6.853 1.00 0.00 C ATOM 1504 C ARG B 40 1.824 -6.081 7.887 1.00 0.00 C ATOM 1505 O ARG B 40 2.456 -7.132 7.803 1.00 0.00 O ATOM 1506 CB ARG B 40 2.655 -3.744 7.510 1.00 0.00 C ATOM 1507 CG ARG B 40 4.029 -4.002 8.115 1.00 0.00 C ATOM 1508 CD ARG B 40 5.100 -4.194 7.047 1.00 0.00 C ATOM 1509 NE ARG B 40 5.552 -2.924 6.483 1.00 0.00 N ATOM 1510 CZ ARG B 40 6.590 -2.811 5.655 1.00 0.00 C ATOM 1511 NH1 ARG B 40 7.294 -3.881 5.308 1.00 0.00 N ATOM 1512 NH2 ARG B 40 6.923 -1.624 5.174 1.00 0.00 N ATOM 0 H ARG B 40 0.421 -3.673 6.453 1.00 0.00 H new ATOM 0 HA ARG B 40 2.684 -5.353 6.078 1.00 0.00 H new ATOM 0 HB2 ARG B 40 2.741 -2.952 6.766 1.00 0.00 H new ATOM 0 HB3 ARG B 40 1.989 -3.377 8.291 1.00 0.00 H new ATOM 0 HG2 ARG B 40 4.304 -3.166 8.757 1.00 0.00 H new ATOM 0 HG3 ARG B 40 3.985 -4.889 8.747 1.00 0.00 H new ATOM 0 HD2 ARG B 40 5.951 -4.721 7.479 1.00 0.00 H new ATOM 0 HD3 ARG B 40 4.706 -4.824 6.249 1.00 0.00 H new ATOM 0 HE ARG B 40 5.045 -2.077 6.737 1.00 0.00 H new ATOM 0 HH11 ARG B 40 7.042 -4.798 5.676 1.00 0.00 H new ATOM 0 HH12 ARG B 40 8.087 -3.786 4.674 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.386 -0.798 5.437 1.00 0.00 H new ATOM 0 HH22 ARG B 40 7.717 -1.535 4.540 1.00 0.00 H new ATOM 1754 N GLU C 591 -14.107 -3.895 -12.913 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.670 -3.191 -14.119 1.00 0.00 C ATOM 1756 C GLU C 591 -13.694 -1.672 -13.932 1.00 0.00 C ATOM 1757 O GLU C 591 -12.652 -1.051 -13.725 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.555 -3.589 -15.305 1.00 0.00 C ATOM 1759 CG GLU C 591 -14.257 -4.979 -15.848 1.00 0.00 C ATOM 1760 CD GLU C 591 -14.701 -6.081 -14.906 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -13.977 -6.352 -13.925 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -15.773 -6.675 -15.150 1.00 0.00 O ATOM 0 HA GLU C 591 -12.639 -3.482 -14.318 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.600 -3.544 -14.999 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -14.425 -2.860 -16.105 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -14.756 -5.104 -16.809 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -13.186 -5.072 -16.031 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.884 -1.073 -14.026 1.00 0.00 N ATOM 1770 CA GLU C 592 -15.041 0.375 -13.889 1.00 0.00 C ATOM 1771 C GLU C 592 -14.373 0.904 -12.620 1.00 0.00 C ATOM 1772 O GLU C 592 -13.993 2.073 -12.550 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.528 0.749 -13.897 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.170 0.677 -15.274 1.00 0.00 C ATOM 1775 CD GLU C 592 -17.379 -0.748 -15.750 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -18.013 -1.532 -15.014 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -16.910 -1.078 -16.860 1.00 0.00 O ATOM 0 H GLU C 592 -15.756 -1.573 -14.197 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.545 0.841 -14.741 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -17.064 0.083 -13.221 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.641 1.760 -13.506 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -18.130 1.192 -15.250 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -16.542 1.207 -15.991 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.223 0.036 -11.625 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.588 0.419 -10.370 1.00 0.00 C ATOM 1786 C ILE C 593 -12.083 0.567 -10.562 1.00 0.00 C ATOM 1787 O ILE C 593 -11.434 1.341 -9.859 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.867 -0.611 -9.247 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.358 -0.623 -8.893 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -13.026 -0.317 -8.005 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.840 0.642 -8.207 1.00 0.00 C ATOM 0 H ILE C 593 -14.532 -0.935 -11.663 1.00 0.00 H new ATOM 0 HA ILE C 593 -14.016 1.375 -10.068 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.585 -1.597 -9.617 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -15.936 -0.772 -9.805 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.560 -1.475 -8.244 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -13.244 -1.057 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.968 -0.363 -8.263 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -13.266 0.678 -7.631 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.905 0.555 -7.990 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -15.290 0.784 -7.277 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.672 1.497 -8.861 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.531 -0.175 -11.521 1.00 0.00 N ATOM 1804 CA TRP C 594 -10.102 -0.116 -11.804 1.00 0.00 C ATOM 1805 C TRP C 594 -9.740 1.087 -12.657 1.00 0.00 C ATOM 1806 O TRP C 594 -8.807 1.824 -12.339 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.629 -1.395 -12.494 1.00 0.00 C ATOM 1808 CG TRP C 594 -8.158 -1.387 -12.765 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.532 -0.911 -13.880 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -7.129 -1.857 -11.894 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -6.171 -1.056 -13.753 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.900 -1.640 -12.542 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -7.130 -2.444 -10.629 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.683 -1.988 -11.960 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -5.926 -2.789 -10.053 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.716 -2.561 -10.717 1.00 0.00 C ATOM 0 H TRP C 594 -12.052 -0.822 -12.113 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.595 -0.016 -10.844 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.876 -2.254 -11.870 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -10.168 -1.518 -13.433 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -8.032 -0.483 -14.736 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.477 -0.775 -14.446 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -8.059 -2.625 -10.109 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.748 -1.812 -12.471 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -5.917 -3.243 -9.073 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.789 -2.843 -10.239 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.479 1.290 -13.737 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.220 2.415 -14.620 1.00 0.00 C ATOM 1829 C LYS C 595 -10.298 3.717 -13.836 1.00 0.00 C ATOM 1830 O LYS C 595 -9.452 4.597 -13.998 1.00 0.00 O ATOM 1831 CB LYS C 595 -11.226 2.430 -15.773 1.00 0.00 C ATOM 1832 CG LYS C 595 -11.047 1.276 -16.747 1.00 0.00 C ATOM 1833 CD LYS C 595 -12.216 1.174 -17.717 1.00 0.00 C ATOM 1834 CE LYS C 595 -12.426 2.469 -18.486 1.00 0.00 C ATOM 1835 NZ LYS C 595 -13.293 2.270 -19.680 1.00 0.00 N ATOM 0 H LYS C 595 -11.257 0.695 -14.021 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.218 2.312 -15.037 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -12.236 2.397 -15.364 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -11.132 3.371 -16.315 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -10.121 1.411 -17.306 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -10.951 0.343 -16.192 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -12.036 0.360 -18.419 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -13.124 0.926 -17.167 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -12.878 3.212 -17.829 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -11.461 2.866 -18.800 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -13.412 3.176 -20.177 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -12.850 1.580 -20.319 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -14.223 1.916 -19.378 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.322 3.844 -13.002 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.506 5.056 -12.215 1.00 0.00 C ATOM 1851 C LYS C 596 -10.369 5.256 -11.215 1.00 0.00 C ATOM 1852 O LYS C 596 -9.683 6.278 -11.254 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.856 5.003 -11.477 1.00 0.00 C ATOM 1854 CG LYS C 596 -14.047 5.467 -12.317 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.375 6.937 -12.072 1.00 0.00 C ATOM 1856 CE LYS C 596 -15.351 7.494 -13.106 1.00 0.00 C ATOM 1857 NZ LYS C 596 -14.691 8.456 -14.035 1.00 0.00 N ATOM 0 H LYS C 596 -12.033 3.128 -12.854 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.499 5.904 -12.900 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -13.036 3.981 -11.145 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -12.793 5.622 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -13.828 5.315 -13.374 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -14.918 4.856 -12.081 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -14.801 7.050 -11.075 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -13.455 7.521 -12.093 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -15.780 6.672 -13.679 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -16.176 7.991 -12.595 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -15.388 8.810 -14.721 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -14.304 9.254 -13.491 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -13.920 7.976 -14.542 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.169 4.298 -10.306 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.120 4.400 -9.294 1.00 0.00 C ATOM 1873 C ALA C 597 -7.765 4.781 -9.889 1.00 0.00 C ATOM 1874 O ALA C 597 -6.983 5.490 -9.258 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.004 3.079 -8.545 1.00 0.00 C ATOM 0 H ALA C 597 -10.722 3.443 -10.252 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.404 5.199 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.221 3.156 -7.790 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -9.954 2.851 -8.061 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -8.754 2.283 -9.247 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.486 4.302 -11.100 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.218 4.592 -11.761 1.00 0.00 C ATOM 1883 C GLU C 598 -6.103 6.080 -12.085 1.00 0.00 C ATOM 1884 O GLU C 598 -5.018 6.657 -12.001 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.071 3.741 -13.032 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.572 2.328 -12.764 1.00 0.00 C ATOM 1887 CD GLU C 598 -5.132 1.616 -14.029 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -6.002 1.307 -14.870 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -3.917 1.369 -14.178 1.00 0.00 O ATOM 0 H GLU C 598 -8.120 3.713 -11.641 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.407 4.334 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -7.035 3.687 -13.537 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.381 4.238 -13.714 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -4.737 2.368 -12.065 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -6.363 1.752 -12.284 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.220 6.702 -12.442 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.227 8.128 -12.757 1.00 0.00 C ATOM 1898 C GLU C 599 -6.899 8.947 -11.510 1.00 0.00 C ATOM 1899 O GLU C 599 -6.091 9.874 -11.563 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.590 8.541 -13.318 1.00 0.00 C ATOM 1901 CG GLU C 599 -8.577 9.889 -14.020 1.00 0.00 C ATOM 1902 CD GLU C 599 -7.839 9.850 -15.344 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -8.390 9.291 -16.316 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -6.708 10.378 -15.409 1.00 0.00 O ATOM 0 H GLU C 599 -8.129 6.246 -12.521 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.465 8.322 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -8.931 7.779 -14.019 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -9.314 8.572 -12.504 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -9.603 10.216 -14.190 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -8.110 10.629 -13.370 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.537 8.610 -10.395 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.321 9.326 -9.140 1.00 0.00 C ATOM 1913 C ALA C 600 -5.841 9.419 -8.771 1.00 0.00 C ATOM 1914 O ALA C 600 -5.362 10.478 -8.368 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.101 8.660 -8.018 1.00 0.00 C ATOM 0 H ALA C 600 -8.209 7.845 -10.333 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.682 10.345 -9.282 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.933 9.201 -7.087 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.164 8.671 -8.258 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.766 7.629 -7.904 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.123 8.305 -8.889 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.704 8.279 -8.542 1.00 0.00 C ATOM 1923 C VAL C 601 -2.859 9.076 -9.528 1.00 0.00 C ATOM 1924 O VAL C 601 -1.917 9.761 -9.135 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.162 6.839 -8.452 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.723 6.840 -7.959 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -4.041 6.011 -7.531 1.00 0.00 C ATOM 0 H VAL C 601 -5.496 7.415 -9.219 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.627 8.746 -7.560 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.180 6.394 -9.447 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.357 5.815 -7.902 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.102 7.409 -8.651 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.677 7.297 -6.971 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.651 4.995 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -4.046 6.455 -6.536 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.058 5.988 -7.923 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.211 9.001 -10.804 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.487 9.736 -11.835 1.00 0.00 C ATOM 1939 C ASN C 602 -2.666 11.235 -11.631 1.00 0.00 C ATOM 1940 O ASN C 602 -1.735 12.016 -11.829 1.00 0.00 O ATOM 1941 CB ASN C 602 -2.976 9.328 -13.228 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.502 7.942 -13.623 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -2.498 7.019 -12.808 1.00 0.00 O ATOM 1944 ND2 ASN C 602 -2.098 7.787 -14.880 1.00 0.00 N ATOM 0 H ASN C 602 -3.990 8.441 -11.150 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.427 9.493 -11.757 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.065 9.357 -13.251 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -2.622 10.053 -13.961 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -1.769 6.877 -15.201 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -2.118 8.578 -15.523 1.00 0.00 H new ATOM 1951 N GLU C 603 -3.867 11.629 -11.228 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.164 13.035 -10.990 1.00 0.00 C ATOM 1953 C GLU C 603 -3.379 13.563 -9.791 1.00 0.00 C ATOM 1954 O GLU C 603 -2.635 14.534 -9.919 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.664 13.230 -10.757 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.510 13.003 -11.999 1.00 0.00 C ATOM 1957 CD GLU C 603 -6.387 14.132 -13.005 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -5.349 14.199 -13.697 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -7.327 14.949 -13.100 1.00 0.00 O ATOM 0 H GLU C 603 -4.649 10.997 -11.059 1.00 0.00 H new ATOM 0 HA GLU C 603 -3.864 13.597 -11.874 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -5.993 12.546 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -5.837 14.242 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -6.211 12.067 -12.471 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -7.555 12.894 -11.707 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.542 12.939 -8.624 1.00 0.00 N ATOM 1967 CA VAL C 604 -2.839 13.385 -7.428 1.00 0.00 C ATOM 1968 C VAL C 604 -1.321 13.303 -7.589 1.00 0.00 C ATOM 1969 O VAL C 604 -0.579 14.056 -6.961 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.277 12.617 -6.163 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -2.867 11.155 -6.234 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -2.714 13.288 -4.909 1.00 0.00 C ATOM 0 H VAL C 604 -4.149 12.131 -8.485 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.116 14.431 -7.298 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.365 12.647 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.190 10.642 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.333 10.688 -7.101 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.783 11.085 -6.323 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.032 12.734 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -1.625 13.297 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -3.083 14.312 -4.847 1.00 0.00 H new ATOM 1982 N LYS C 605 -0.862 12.392 -8.447 1.00 0.00 N ATOM 1983 CA LYS C 605 0.570 12.231 -8.692 1.00 0.00 C ATOM 1984 C LYS C 605 1.099 13.404 -9.510 1.00 0.00 C ATOM 1985 O LYS C 605 2.119 14.002 -9.166 1.00 0.00 O ATOM 1986 CB LYS C 605 0.857 10.911 -9.428 1.00 0.00 C ATOM 1987 CG LYS C 605 1.090 9.720 -8.503 1.00 0.00 C ATOM 1988 CD LYS C 605 1.772 8.564 -9.228 1.00 0.00 C ATOM 1989 CE LYS C 605 1.037 8.171 -10.506 1.00 0.00 C ATOM 1990 NZ LYS C 605 1.540 8.920 -11.691 1.00 0.00 N ATOM 0 H LYS C 605 -1.457 11.758 -8.981 1.00 0.00 H new ATOM 0 HA LYS C 605 1.078 12.207 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS C 605 0.019 10.686 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS C 605 1.735 11.043 -10.060 1.00 0.00 H new ATOM 0 HG2 LYS C 605 1.703 10.031 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS C 605 0.136 9.383 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS C 605 2.797 8.844 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS C 605 1.827 7.702 -8.563 1.00 0.00 H new ATOM 0 HE2 LYS C 605 1.154 7.101 -10.677 1.00 0.00 H new ATOM 0 HE3 LYS C 605 -0.030 8.360 -10.384 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 1.815 8.248 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 0.791 9.546 -12.049 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 2.366 9.490 -11.417 1.00 0.00 H new ATOM 2004 N ARG C 606 0.393 13.739 -10.579 1.00 0.00 N ATOM 2005 CA ARG C 606 0.791 14.853 -11.426 1.00 0.00 C ATOM 2006 C ARG C 606 0.635 16.177 -10.677 1.00 0.00 C ATOM 2007 O ARG C 606 1.299 17.161 -10.999 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.043 14.870 -12.712 1.00 0.00 C ATOM 2009 CG ARG C 606 0.611 15.641 -13.853 1.00 0.00 C ATOM 2010 CD ARG C 606 -0.395 16.022 -14.932 1.00 0.00 C ATOM 2011 NE ARG C 606 -1.196 17.181 -14.546 1.00 0.00 N ATOM 2012 CZ ARG C 606 -2.030 17.814 -15.367 1.00 0.00 C ATOM 2013 NH1 ARG C 606 -2.184 17.400 -16.619 1.00 0.00 N ATOM 2014 NH2 ARG C 606 -2.714 18.864 -14.935 1.00 0.00 N ATOM 0 H ARG C 606 -0.455 13.258 -10.880 1.00 0.00 H new ATOM 0 HA ARG C 606 1.840 14.726 -11.692 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -0.221 13.844 -13.033 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -1.017 15.311 -12.498 1.00 0.00 H new ATOM 0 HG2 ARG C 606 1.080 16.543 -13.460 1.00 0.00 H new ATOM 0 HG3 ARG C 606 1.403 15.035 -14.293 1.00 0.00 H new ATOM 0 HD2 ARG C 606 0.133 16.239 -15.860 1.00 0.00 H new ATOM 0 HD3 ARG C 606 -1.053 15.176 -15.130 1.00 0.00 H new ATOM 0 HE ARG C 606 -1.111 17.526 -13.590 1.00 0.00 H new ATOM 0 HH11 ARG C 606 -1.661 16.592 -16.957 1.00 0.00 H new ATOM 0 HH12 ARG C 606 -2.825 17.890 -17.243 1.00 0.00 H new ATOM 0 HH21 ARG C 606 -2.601 19.186 -13.974 1.00 0.00 H new ATOM 0 HH22 ARG C 606 -3.354 19.350 -15.564 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.255 16.197 -9.684 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.501 17.407 -8.901 1.00 0.00 C ATOM 2030 C GLN C 607 0.572 17.629 -7.831 1.00 0.00 C ATOM 2031 O GLN C 607 1.244 18.657 -7.838 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.894 17.349 -8.252 1.00 0.00 C ATOM 2033 CG GLN C 607 -3.028 17.870 -9.145 1.00 0.00 C ATOM 2034 CD GLN C 607 -4.068 16.813 -9.465 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -4.196 16.379 -10.610 1.00 0.00 O ATOM 2036 NE2 GLN C 607 -4.819 16.395 -8.454 1.00 0.00 N ATOM 0 H GLN C 607 -0.815 15.392 -9.404 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.458 18.252 -9.588 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.110 16.317 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.877 17.930 -7.330 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -3.514 18.711 -8.651 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -2.605 18.248 -10.076 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -4.679 16.782 -7.521 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.536 15.687 -8.610 1.00 0.00 H new ATOM 2045 N ALA C 608 0.744 16.675 -6.904 1.00 0.00 N ATOM 2046 CA ALA C 608 1.747 16.804 -5.843 1.00 0.00 C ATOM 2047 C ALA C 608 3.095 17.259 -6.389 1.00 0.00 C ATOM 2048 O ALA C 608 3.846 17.958 -5.713 1.00 0.00 O ATOM 2049 CB ALA C 608 1.898 15.479 -5.115 1.00 0.00 C ATOM 0 H ALA C 608 0.203 15.811 -6.869 1.00 0.00 H new ATOM 0 HA ALA C 608 1.401 17.568 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.645 15.580 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA C 608 0.942 15.195 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.216 14.711 -5.820 1.00 0.00 H new ATOM 2055 N MET C 609 3.386 16.866 -7.618 1.00 0.00 N ATOM 2056 CA MET C 609 4.644 17.248 -8.251 1.00 0.00 C ATOM 2057 C MET C 609 4.735 18.773 -8.375 1.00 0.00 C ATOM 2058 O MET C 609 5.822 19.345 -8.297 1.00 0.00 O ATOM 2059 CB MET C 609 4.794 16.564 -9.623 1.00 0.00 C ATOM 2060 CG MET C 609 4.337 17.408 -10.810 1.00 0.00 C ATOM 2061 SD MET C 609 5.604 18.557 -11.388 1.00 0.00 S ATOM 2062 CE MET C 609 4.817 19.219 -12.855 1.00 0.00 C ATOM 0 H MET C 609 2.776 16.287 -8.196 1.00 0.00 H new ATOM 0 HA MET C 609 5.468 16.910 -7.623 1.00 0.00 H new ATOM 0 HB2 MET C 609 5.840 16.295 -9.767 1.00 0.00 H new ATOM 0 HB3 MET C 609 4.224 15.635 -9.615 1.00 0.00 H new ATOM 0 HG2 MET C 609 4.052 16.748 -11.629 1.00 0.00 H new ATOM 0 HG3 MET C 609 3.446 17.970 -10.528 1.00 0.00 H new ATOM 0 HE1 MET C 609 5.478 19.946 -13.326 1.00 0.00 H new ATOM 0 HE2 MET C 609 4.612 18.409 -13.555 1.00 0.00 H new ATOM 0 HE3 MET C 609 3.882 19.705 -12.578 1.00 0.00 H new ATOM 2072 N THR C 610 3.590 19.429 -8.550 1.00 0.00 N ATOM 2073 CA THR C 610 3.556 20.887 -8.661 1.00 0.00 C ATOM 2074 C THR C 610 3.939 21.513 -7.324 1.00 0.00 C ATOM 2075 O THR C 610 4.686 22.490 -7.273 1.00 0.00 O ATOM 2076 CB THR C 610 2.163 21.364 -9.096 1.00 0.00 C ATOM 2077 OG1 THR C 610 1.980 21.174 -10.487 1.00 0.00 O ATOM 2078 CG2 THR C 610 1.900 22.826 -8.795 1.00 0.00 C ATOM 0 H THR C 610 2.678 18.978 -8.618 1.00 0.00 H new ATOM 0 HA THR C 610 4.274 21.200 -9.420 1.00 0.00 H new ATOM 0 HB THR C 610 1.463 20.762 -8.516 1.00 0.00 H new ATOM 0 HG1 THR C 610 1.086 21.482 -10.744 1.00 0.00 H new ATOM 0 HG21 THR C 610 0.897 23.092 -9.130 1.00 0.00 H new ATOM 0 HG22 THR C 610 1.981 22.997 -7.722 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.632 23.442 -9.317 1.00 0.00 H new ATOM 2086 N GLU C 611 3.436 20.932 -6.244 1.00 0.00 N ATOM 2087 CA GLU C 611 3.747 21.427 -4.909 1.00 0.00 C ATOM 2088 C GLU C 611 5.261 21.401 -4.682 1.00 0.00 C ATOM 2089 O GLU C 611 5.795 22.142 -3.858 1.00 0.00 O ATOM 2090 CB GLU C 611 3.018 20.596 -3.851 1.00 0.00 C ATOM 2091 CG GLU C 611 1.524 20.869 -3.788 1.00 0.00 C ATOM 2092 CD GLU C 611 1.200 22.223 -3.185 1.00 0.00 C ATOM 2093 OE1 GLU C 611 1.436 22.403 -1.971 1.00 0.00 O ATOM 2094 OE2 GLU C 611 0.711 23.102 -3.925 1.00 0.00 O ATOM 0 H GLU C 611 2.815 20.123 -6.264 1.00 0.00 H new ATOM 0 HA GLU C 611 3.404 22.458 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU C 611 3.177 19.538 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU C 611 3.458 20.799 -2.875 1.00 0.00 H new ATOM 0 HG2 GLU C 611 1.106 20.814 -4.793 1.00 0.00 H new ATOM 0 HG3 GLU C 611 1.041 20.089 -3.199 1.00 0.00 H new ATOM 2101 N LEU C 612 5.942 20.534 -5.435 1.00 0.00 N ATOM 2102 CA LEU C 612 7.396 20.392 -5.346 1.00 0.00 C ATOM 2103 C LEU C 612 8.094 21.391 -6.261 1.00 0.00 C ATOM 2104 O LEU C 612 9.037 22.069 -5.853 1.00 0.00 O ATOM 2105 CB LEU C 612 7.824 18.976 -5.739 1.00 0.00 C ATOM 2106 CG LEU C 612 7.161 17.844 -4.952 1.00 0.00 C ATOM 2107 CD1 LEU C 612 7.544 16.489 -5.536 1.00 0.00 C ATOM 2108 CD2 LEU C 612 7.541 17.924 -3.479 1.00 0.00 C ATOM 0 H LEU C 612 5.505 19.915 -6.118 1.00 0.00 H new ATOM 0 HA LEU C 612 7.684 20.586 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU C 612 7.611 18.832 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.904 18.895 -5.617 1.00 0.00 H new ATOM 0 HG LEU C 612 6.080 17.956 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU C 612 7.063 15.697 -4.963 1.00 0.00 H new ATOM 0 HD12 LEU C 612 7.218 16.435 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU C 612 8.626 16.365 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU C 612 7.060 17.111 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU C 612 8.623 17.839 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU C 612 7.212 18.879 -3.070 1.00 0.00 H new ATOM 2120 N GLN C 613 7.626 21.469 -7.503 1.00 0.00 N ATOM 2121 CA GLN C 613 8.203 22.378 -8.489 1.00 0.00 C ATOM 2122 C GLN C 613 8.318 23.797 -7.933 1.00 0.00 C ATOM 2123 O GLN C 613 9.173 24.572 -8.362 1.00 0.00 O ATOM 2124 CB GLN C 613 7.353 22.381 -9.762 1.00 0.00 C ATOM 2125 CG GLN C 613 8.067 22.971 -10.968 1.00 0.00 C ATOM 2126 CD GLN C 613 9.111 22.036 -11.548 1.00 0.00 C ATOM 2127 OE1 GLN C 613 10.299 22.151 -11.246 1.00 0.00 O ATOM 2128 NE2 GLN C 613 8.671 21.105 -12.386 1.00 0.00 N ATOM 0 H GLN C 613 6.846 20.912 -7.852 1.00 0.00 H new ATOM 0 HA GLN C 613 9.206 22.025 -8.727 1.00 0.00 H new ATOM 0 HB2 GLN C 613 7.054 21.358 -9.992 1.00 0.00 H new ATOM 0 HB3 GLN C 613 6.440 22.947 -9.578 1.00 0.00 H new ATOM 0 HG2 GLN C 613 7.333 23.211 -11.737 1.00 0.00 H new ATOM 0 HG3 GLN C 613 8.545 23.907 -10.680 1.00 0.00 H new ATOM 0 HE21 GLN C 613 7.677 21.047 -12.608 1.00 0.00 H new ATOM 0 HE22 GLN C 613 9.327 20.448 -12.808 1.00 0.00 H new