USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 727 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: B 35 GLN : amide:sc= -5.13! C(o=-6.9!,f=-12!) USER MOD Set 1.2: B 36 HIS : no HE2:sc= -1.73 K(o=-6.9,f=-12!) USER MOD Set 2.1: A 35 GLN : amide:sc= -5.31! C(o=-6.9!,f=-12!) USER MOD Set 2.2: A 36 HIS : no HE2:sc= -1.63 K(o=-6.9,f=-12!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.07 X(o=-0.07,f=-0.28) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -0.19 X(o=-0.19,f=-0.37) USER MOD Single : A 33 MET CE :methyl -135:sc= -3.94! (180deg=-6.58!) USER MOD Single : A 34 MET CE :methyl -110:sc= -0.45 (180deg=-1.71!) USER MOD Single : A 38 GLN : amide:sc= -0.0195 K(o=-0.02,f=-1.8!) USER MOD Single : A 39 ASN : amide:sc= -0.0821 K(o=-0.082,f=-2.5!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.77! F(o=-4,f=-1.8!) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.34 F(o=-2.4,f=-1.3) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.48) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.41) USER MOD Single : B 33 MET CE :methyl -133:sc= -4.02! (180deg=-6.74!) USER MOD Single : B 34 MET CE :methyl -117:sc= -0.427 (180deg=-1.65!) USER MOD Single : B 38 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : B 39 ASN : amide:sc= -0.0632 K(o=-0.063,f=-2.5!) USER MOD Single : B 47 GLN :FLIP amide:sc= -1.68! F(o=-3.9,f=-1.7!) USER MOD Single : B 51 GLN :FLIP amide:sc= -1.36 F(o=-2.4,f=-1.4) USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 19 -16.023 13.152 -15.061 1.00 0.00 N ATOM 163 CA PRO A 19 -15.865 14.278 -16.010 1.00 0.00 C ATOM 164 C PRO A 19 -14.420 14.390 -16.522 1.00 0.00 C ATOM 165 O PRO A 19 -13.953 15.472 -16.811 1.00 0.00 O ATOM 166 CB PRO A 19 -16.205 15.498 -15.161 1.00 0.00 C ATOM 167 CG PRO A 19 -15.900 15.102 -13.745 1.00 0.00 C ATOM 168 CD PRO A 19 -15.896 13.593 -13.667 1.00 0.00 C ATOM 0 HA PRO A 19 -16.490 14.163 -16.895 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -15.613 16.362 -15.462 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.253 15.774 -15.274 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.933 15.501 -13.439 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.645 15.516 -13.066 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.976 13.221 -13.216 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.721 13.225 -13.058 1.00 0.00 H new ATOM 176 N LYS A 20 -13.707 13.293 -16.640 1.00 0.00 N ATOM 177 CA LYS A 20 -12.289 13.353 -17.132 1.00 0.00 C ATOM 178 C LYS A 20 -11.405 14.070 -16.106 1.00 0.00 C ATOM 179 O LYS A 20 -10.527 13.474 -15.513 1.00 0.00 O ATOM 180 CB LYS A 20 -12.323 14.129 -18.454 1.00 0.00 C ATOM 181 CG LYS A 20 -11.065 13.813 -19.263 1.00 0.00 C ATOM 182 CD LYS A 20 -9.881 14.588 -18.683 1.00 0.00 C ATOM 183 CE LYS A 20 -9.055 15.190 -19.823 1.00 0.00 C ATOM 184 NZ LYS A 20 -9.506 16.605 -19.919 1.00 0.00 N ATOM 0 H LYS A 20 -14.045 12.357 -16.417 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.873 12.356 -17.276 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.212 13.859 -19.024 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.383 15.200 -18.258 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.861 12.743 -19.236 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.214 14.083 -20.308 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.239 15.378 -18.023 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.260 13.926 -18.080 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.987 15.129 -19.612 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.226 14.657 -20.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.984 17.085 -20.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.525 16.631 -20.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.325 17.089 -19.017 1.00 0.00 H new ATOM 198 N ALA A 21 -11.632 15.340 -15.881 1.00 0.00 N ATOM 199 CA ALA A 21 -10.807 16.083 -14.881 1.00 0.00 C ATOM 200 C ALA A 21 -10.747 15.291 -13.572 1.00 0.00 C ATOM 201 O ALA A 21 -9.689 15.052 -13.024 1.00 0.00 O ATOM 202 CB ALA A 21 -11.534 17.412 -14.672 1.00 0.00 C ATOM 0 H ALA A 21 -12.352 15.893 -16.346 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.781 16.234 -15.216 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.987 18.016 -13.948 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.593 17.947 -15.620 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.540 17.221 -14.299 1.00 0.00 H new ATOM 208 N LEU A 22 -11.878 14.860 -13.085 1.00 0.00 N ATOM 209 CA LEU A 22 -11.892 14.058 -11.831 1.00 0.00 C ATOM 210 C LEU A 22 -11.200 12.720 -12.092 1.00 0.00 C ATOM 211 O LEU A 22 -10.250 12.352 -11.431 1.00 0.00 O ATOM 212 CB LEU A 22 -13.374 13.834 -11.518 1.00 0.00 C ATOM 213 CG LEU A 22 -13.649 14.102 -10.038 1.00 0.00 C ATOM 214 CD1 LEU A 22 -12.686 13.282 -9.176 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.460 15.593 -9.753 1.00 0.00 C ATOM 0 H LEU A 22 -12.793 15.029 -13.502 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.376 14.550 -11.006 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.987 14.492 -12.134 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.655 12.811 -11.768 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.672 13.813 -9.798 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.886 13.476 -8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.826 12.221 -9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.659 13.564 -9.409 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.655 15.789 -8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.437 15.882 -9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.153 16.171 -10.364 1.00 0.00 H new ATOM 227 N GLN A 23 -11.681 11.998 -13.066 1.00 0.00 N ATOM 228 CA GLN A 23 -11.075 10.679 -13.413 1.00 0.00 C ATOM 229 C GLN A 23 -9.552 10.799 -13.514 1.00 0.00 C ATOM 230 O GLN A 23 -8.817 10.046 -12.904 1.00 0.00 O ATOM 231 CB GLN A 23 -11.676 10.328 -14.776 1.00 0.00 C ATOM 232 CG GLN A 23 -11.079 9.012 -15.277 1.00 0.00 C ATOM 233 CD GLN A 23 -12.105 7.890 -15.112 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.084 7.835 -15.830 1.00 0.00 O ATOM 235 NE2 GLN A 23 -11.923 6.987 -14.188 1.00 0.00 N ATOM 0 H GLN A 23 -12.477 12.268 -13.644 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.279 9.917 -12.660 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -12.759 10.240 -14.695 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.474 11.126 -15.490 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.793 9.106 -16.324 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.173 8.776 -14.719 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.102 7.033 -13.585 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.602 6.235 -14.069 1.00 0.00 H new ATOM 244 N GLN A 24 -9.072 11.740 -14.281 1.00 0.00 N ATOM 245 CA GLN A 24 -7.597 11.908 -14.423 1.00 0.00 C ATOM 246 C GLN A 24 -6.978 12.303 -13.080 1.00 0.00 C ATOM 247 O GLN A 24 -5.876 11.908 -12.754 1.00 0.00 O ATOM 248 CB GLN A 24 -7.424 13.032 -15.446 1.00 0.00 C ATOM 249 CG GLN A 24 -6.099 12.849 -16.187 1.00 0.00 C ATOM 250 CD GLN A 24 -5.174 14.029 -15.881 1.00 0.00 C ATOM 251 OE1 GLN A 24 -5.592 15.169 -15.921 1.00 0.00 O ATOM 252 NE2 GLN A 24 -3.926 13.801 -15.574 1.00 0.00 N ATOM 0 H GLN A 24 -9.637 12.400 -14.815 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.105 10.989 -14.740 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.253 13.024 -16.154 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.442 14.000 -14.945 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.627 11.915 -15.883 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.277 12.782 -17.260 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.576 12.844 -15.541 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.301 14.580 -15.367 1.00 0.00 H new ATOM 261 N LYS A 25 -7.677 13.081 -12.300 1.00 0.00 N ATOM 262 CA LYS A 25 -7.127 13.500 -10.979 1.00 0.00 C ATOM 263 C LYS A 25 -7.001 12.290 -10.050 1.00 0.00 C ATOM 264 O LYS A 25 -6.010 12.118 -9.368 1.00 0.00 O ATOM 265 CB LYS A 25 -8.143 14.499 -10.425 1.00 0.00 C ATOM 266 CG LYS A 25 -7.804 15.904 -10.928 1.00 0.00 C ATOM 267 CD LYS A 25 -9.021 16.815 -10.759 1.00 0.00 C ATOM 268 CE LYS A 25 -8.563 18.195 -10.278 1.00 0.00 C ATOM 269 NZ LYS A 25 -9.124 19.153 -11.271 1.00 0.00 N ATOM 0 H LYS A 25 -8.604 13.445 -12.520 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.132 13.937 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.149 14.222 -10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.132 14.479 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.956 16.306 -10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.509 15.865 -11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.554 16.906 -11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.717 16.381 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.931 18.406 -9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.476 18.259 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.853 20.122 -11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.750 18.932 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.161 19.074 -11.282 1.00 0.00 H new ATOM 283 N ILE A 26 -7.998 11.448 -10.019 1.00 0.00 N ATOM 284 CA ILE A 26 -7.932 10.248 -9.135 1.00 0.00 C ATOM 285 C ILE A 26 -6.880 9.266 -9.656 1.00 0.00 C ATOM 286 O ILE A 26 -5.987 8.860 -8.938 1.00 0.00 O ATOM 287 CB ILE A 26 -9.327 9.627 -9.206 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.349 10.601 -8.614 1.00 0.00 C ATOM 289 CG2 ILE A 26 -9.348 8.322 -8.409 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.763 10.083 -8.880 1.00 0.00 C ATOM 0 H ILE A 26 -8.854 11.538 -10.566 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.651 10.502 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.579 9.421 -10.246 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.186 10.708 -7.542 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.223 11.589 -9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.343 7.880 -8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.621 7.627 -8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.095 8.527 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.490 10.777 -8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.923 9.998 -9.955 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.885 9.104 -8.417 1.00 0.00 H new ATOM 302 N HIS A 27 -6.975 8.883 -10.900 1.00 0.00 N ATOM 303 CA HIS A 27 -5.979 7.929 -11.465 1.00 0.00 C ATOM 304 C HIS A 27 -4.568 8.509 -11.348 1.00 0.00 C ATOM 305 O HIS A 27 -3.588 7.789 -11.347 1.00 0.00 O ATOM 306 CB HIS A 27 -6.374 7.767 -12.933 1.00 0.00 C ATOM 307 CG HIS A 27 -7.156 6.494 -13.106 1.00 0.00 C ATOM 308 ND1 HIS A 27 -6.731 5.288 -12.571 1.00 0.00 N ATOM 309 CD2 HIS A 27 -8.337 6.223 -13.752 1.00 0.00 C ATOM 310 CE1 HIS A 27 -7.643 4.355 -12.901 1.00 0.00 C ATOM 311 NE2 HIS A 27 -8.643 4.872 -13.621 1.00 0.00 N ATOM 0 H HIS A 27 -7.699 9.189 -11.550 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.974 6.975 -10.938 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.971 8.620 -13.256 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.483 7.747 -13.560 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.882 5.136 -12.027 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.937 6.948 -14.281 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.575 3.315 -12.618 1.00 0.00 H new ATOM 319 N GLU A 28 -4.455 9.805 -11.249 1.00 0.00 N ATOM 320 CA GLU A 28 -3.107 10.430 -11.132 1.00 0.00 C ATOM 321 C GLU A 28 -2.466 10.055 -9.793 1.00 0.00 C ATOM 322 O GLU A 28 -1.469 9.362 -9.743 1.00 0.00 O ATOM 323 CB GLU A 28 -3.360 11.936 -11.202 1.00 0.00 C ATOM 324 CG GLU A 28 -3.014 12.448 -12.602 1.00 0.00 C ATOM 325 CD GLU A 28 -1.728 13.276 -12.539 1.00 0.00 C ATOM 326 OE1 GLU A 28 -1.799 14.408 -12.091 1.00 0.00 O ATOM 327 OE2 GLU A 28 -0.696 12.763 -12.939 1.00 0.00 O ATOM 0 H GLU A 28 -5.238 10.459 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.427 10.095 -11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.404 12.151 -10.972 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.756 12.452 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.886 11.609 -13.286 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.831 13.055 -12.991 1.00 0.00 H new ATOM 334 N LEU A 29 -3.032 10.506 -8.706 1.00 0.00 N ATOM 335 CA LEU A 29 -2.454 10.171 -7.373 1.00 0.00 C ATOM 336 C LEU A 29 -2.572 8.669 -7.110 1.00 0.00 C ATOM 337 O LEU A 29 -1.692 8.057 -6.538 1.00 0.00 O ATOM 338 CB LEU A 29 -3.294 10.962 -6.368 1.00 0.00 C ATOM 339 CG LEU A 29 -2.755 12.389 -6.263 1.00 0.00 C ATOM 340 CD1 LEU A 29 -3.607 13.323 -7.124 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.811 12.848 -4.805 1.00 0.00 C ATOM 0 H LEU A 29 -3.868 11.091 -8.683 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.395 10.422 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.337 10.978 -6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.264 10.478 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.723 12.414 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.222 14.340 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.568 12.997 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.639 13.299 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.427 13.865 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.843 12.823 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.203 12.184 -4.191 1.00 0.00 H new ATOM 353 N GLU A 30 -3.653 8.067 -7.527 1.00 0.00 N ATOM 354 CA GLU A 30 -3.825 6.603 -7.304 1.00 0.00 C ATOM 355 C GLU A 30 -2.703 5.833 -8.006 1.00 0.00 C ATOM 356 O GLU A 30 -2.094 4.950 -7.436 1.00 0.00 O ATOM 357 CB GLU A 30 -5.180 6.263 -7.926 1.00 0.00 C ATOM 358 CG GLU A 30 -5.543 4.813 -7.600 1.00 0.00 C ATOM 359 CD GLU A 30 -5.517 3.980 -8.883 1.00 0.00 C ATOM 360 OE1 GLU A 30 -4.765 4.329 -9.778 1.00 0.00 O ATOM 361 OE2 GLU A 30 -6.250 3.008 -8.948 1.00 0.00 O ATOM 0 H GLU A 30 -4.424 8.526 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.786 6.336 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.947 6.936 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.142 6.405 -9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.839 4.405 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.532 4.768 -7.145 1.00 0.00 H new ATOM 368 N GLY A 31 -2.424 6.165 -9.237 1.00 0.00 N ATOM 369 CA GLY A 31 -1.340 5.456 -9.971 1.00 0.00 C ATOM 370 C GLY A 31 -0.031 5.587 -9.192 1.00 0.00 C ATOM 371 O GLY A 31 0.809 4.710 -9.217 1.00 0.00 O ATOM 0 H GLY A 31 -2.900 6.896 -9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.598 4.404 -10.096 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.226 5.877 -10.970 1.00 0.00 H new ATOM 375 N LEU A 32 0.148 6.677 -8.498 1.00 0.00 N ATOM 376 CA LEU A 32 1.402 6.864 -7.713 1.00 0.00 C ATOM 377 C LEU A 32 1.356 6.010 -6.443 1.00 0.00 C ATOM 378 O LEU A 32 2.368 5.541 -5.960 1.00 0.00 O ATOM 379 CB LEU A 32 1.430 8.352 -7.359 1.00 0.00 C ATOM 380 CG LEU A 32 2.640 8.643 -6.471 1.00 0.00 C ATOM 381 CD1 LEU A 32 3.920 8.554 -7.305 1.00 0.00 C ATOM 382 CD2 LEU A 32 2.514 10.050 -5.883 1.00 0.00 C ATOM 0 H LEU A 32 -0.519 7.446 -8.440 1.00 0.00 H new ATOM 0 HA LEU A 32 2.290 6.563 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.480 8.952 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.511 8.631 -6.843 1.00 0.00 H new ATOM 0 HG LEU A 32 2.681 7.912 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.782 8.762 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.011 7.553 -7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.879 9.284 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.376 10.258 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.473 10.780 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.603 10.116 -5.288 1.00 0.00 H new ATOM 394 N MET A 33 0.188 5.807 -5.902 1.00 0.00 N ATOM 395 CA MET A 33 0.068 4.983 -4.665 1.00 0.00 C ATOM 396 C MET A 33 0.104 3.494 -5.016 1.00 0.00 C ATOM 397 O MET A 33 0.493 2.666 -4.217 1.00 0.00 O ATOM 398 CB MET A 33 -1.290 5.362 -4.073 1.00 0.00 C ATOM 399 CG MET A 33 -1.569 4.503 -2.839 1.00 0.00 C ATOM 400 SD MET A 33 -2.551 3.060 -3.317 1.00 0.00 S ATOM 401 CE MET A 33 -4.155 3.673 -2.742 1.00 0.00 C ATOM 0 H MET A 33 -0.691 6.177 -6.263 1.00 0.00 H new ATOM 0 HA MET A 33 0.884 5.163 -3.966 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.298 6.418 -3.803 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.075 5.216 -4.815 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.631 4.184 -2.386 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.103 5.087 -2.089 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.672 2.883 -2.197 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.003 4.528 -2.083 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.757 3.977 -3.599 1.00 0.00 H new ATOM 411 N MET A 34 -0.307 3.147 -6.205 1.00 0.00 N ATOM 412 CA MET A 34 -0.304 1.711 -6.609 1.00 0.00 C ATOM 413 C MET A 34 1.100 1.269 -7.033 1.00 0.00 C ATOM 414 O MET A 34 1.566 0.212 -6.659 1.00 0.00 O ATOM 415 CB MET A 34 -1.268 1.635 -7.794 1.00 0.00 C ATOM 416 CG MET A 34 -1.676 0.178 -8.029 1.00 0.00 C ATOM 417 SD MET A 34 -3.453 -0.013 -7.741 1.00 0.00 S ATOM 418 CE MET A 34 -3.368 -1.579 -6.837 1.00 0.00 C ATOM 0 H MET A 34 -0.645 3.796 -6.915 1.00 0.00 H new ATOM 0 HA MET A 34 -0.602 1.056 -5.790 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.151 2.244 -7.598 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.794 2.040 -8.688 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.429 -0.119 -9.048 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.117 -0.478 -7.362 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.783 -2.377 -7.452 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.329 -1.807 -6.600 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.941 -1.497 -5.913 1.00 0.00 H new ATOM 428 N GLN A 35 1.774 2.066 -7.817 1.00 0.00 N ATOM 429 CA GLN A 35 3.144 1.681 -8.267 1.00 0.00 C ATOM 430 C GLN A 35 4.037 1.361 -7.065 1.00 0.00 C ATOM 431 O GLN A 35 4.867 0.475 -7.120 1.00 0.00 O ATOM 432 CB GLN A 35 3.674 2.900 -9.027 1.00 0.00 C ATOM 433 CG GLN A 35 3.709 4.114 -8.096 1.00 0.00 C ATOM 434 CD GLN A 35 4.256 5.323 -8.857 1.00 0.00 C ATOM 435 OE1 GLN A 35 5.255 5.898 -8.472 1.00 0.00 O ATOM 436 NE2 GLN A 35 3.640 5.735 -9.930 1.00 0.00 N ATOM 0 H GLN A 35 1.438 2.964 -8.165 1.00 0.00 H new ATOM 0 HA GLN A 35 3.132 0.787 -8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.673 2.695 -9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.039 3.108 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.708 4.328 -7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.335 3.903 -7.229 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.801 5.253 -10.254 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.997 6.539 -10.446 1.00 0.00 H new ATOM 445 N HIS A 36 3.879 2.071 -5.981 1.00 0.00 N ATOM 446 CA HIS A 36 4.729 1.797 -4.786 1.00 0.00 C ATOM 447 C HIS A 36 4.185 0.590 -4.014 1.00 0.00 C ATOM 448 O HIS A 36 4.915 -0.319 -3.672 1.00 0.00 O ATOM 449 CB HIS A 36 4.641 3.064 -3.938 1.00 0.00 C ATOM 450 CG HIS A 36 5.468 4.149 -4.573 1.00 0.00 C ATOM 451 ND1 HIS A 36 4.897 5.221 -5.240 1.00 0.00 N ATOM 452 CD2 HIS A 36 6.826 4.341 -4.650 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.897 6.002 -5.685 1.00 0.00 C ATOM 454 NE2 HIS A 36 7.095 5.511 -5.352 1.00 0.00 N ATOM 0 H HIS A 36 3.202 2.826 -5.871 1.00 0.00 H new ATOM 0 HA HIS A 36 5.758 1.560 -5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.603 3.386 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.998 2.864 -2.928 1.00 0.00 H new ATOM 0 HD1 HIS A 36 3.899 5.387 -5.370 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.572 3.683 -4.229 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.750 6.915 -6.243 1.00 0.00 H new ATOM 462 N ALA A 37 2.908 0.575 -3.735 1.00 0.00 N ATOM 463 CA ALA A 37 2.320 -0.576 -2.983 1.00 0.00 C ATOM 464 C ALA A 37 2.732 -1.898 -3.637 1.00 0.00 C ATOM 465 O ALA A 37 2.952 -2.890 -2.971 1.00 0.00 O ATOM 466 CB ALA A 37 0.806 -0.379 -3.083 1.00 0.00 C ATOM 0 H ALA A 37 2.247 1.307 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 37 2.660 -0.613 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.298 -1.186 -2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.533 0.577 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.506 -0.387 -4.131 1.00 0.00 H new ATOM 472 N GLN A 38 2.845 -1.915 -4.938 1.00 0.00 N ATOM 473 CA GLN A 38 3.249 -3.170 -5.636 1.00 0.00 C ATOM 474 C GLN A 38 4.728 -3.462 -5.370 1.00 0.00 C ATOM 475 O GLN A 38 5.124 -4.596 -5.184 1.00 0.00 O ATOM 476 CB GLN A 38 3.016 -2.890 -7.121 1.00 0.00 C ATOM 477 CG GLN A 38 1.538 -3.102 -7.455 1.00 0.00 C ATOM 478 CD GLN A 38 1.345 -3.059 -8.972 1.00 0.00 C ATOM 479 OE1 GLN A 38 2.305 -3.045 -9.718 1.00 0.00 O ATOM 480 NE2 GLN A 38 0.137 -3.037 -9.464 1.00 0.00 N ATOM 0 H GLN A 38 2.675 -1.115 -5.547 1.00 0.00 H new ATOM 0 HA GLN A 38 2.684 -4.037 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.311 -1.868 -7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.635 -3.550 -7.728 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.200 -4.061 -7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.933 -2.331 -6.979 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.669 -3.049 -8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.002 -3.008 -10.474 1.00 0.00 H new ATOM 489 N ASN A 39 5.547 -2.446 -5.344 1.00 0.00 N ATOM 490 CA ASN A 39 6.999 -2.663 -5.084 1.00 0.00 C ATOM 491 C ASN A 39 7.291 -2.533 -3.585 1.00 0.00 C ATOM 492 O ASN A 39 8.413 -2.312 -3.178 1.00 0.00 O ATOM 493 CB ASN A 39 7.711 -1.559 -5.866 1.00 0.00 C ATOM 494 CG ASN A 39 7.738 -1.920 -7.352 1.00 0.00 C ATOM 495 OD1 ASN A 39 6.931 -2.701 -7.814 1.00 0.00 O ATOM 496 ND2 ASN A 39 8.639 -1.380 -8.126 1.00 0.00 N ATOM 0 H ASN A 39 5.273 -1.475 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 39 7.330 -3.656 -5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.198 -0.608 -5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.728 -1.433 -5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.665 -1.614 -9.118 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.317 -0.724 -7.739 1.00 0.00 H new ATOM 503 N LEU A 40 6.285 -2.669 -2.762 1.00 0.00 N ATOM 504 CA LEU A 40 6.499 -2.553 -1.292 1.00 0.00 C ATOM 505 C LEU A 40 7.198 -1.234 -0.956 1.00 0.00 C ATOM 506 O LEU A 40 7.841 -1.101 0.065 1.00 0.00 O ATOM 507 CB LEU A 40 7.385 -3.743 -0.922 1.00 0.00 C ATOM 508 CG LEU A 40 6.504 -4.919 -0.497 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.490 -5.975 -1.603 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.063 -5.536 0.787 1.00 0.00 C ATOM 0 H LEU A 40 5.323 -2.856 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 40 5.559 -2.559 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.005 -4.027 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.061 -3.469 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 40 5.488 -4.565 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.862 -6.812 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.093 -5.537 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.505 -6.329 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.436 -6.374 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.079 -5.889 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.073 -4.785 1.577 1.00 0.00 H new ATOM 522 N GLU A 41 7.067 -0.254 -1.807 1.00 0.00 N ATOM 523 CA GLU A 41 7.712 1.064 -1.534 1.00 0.00 C ATOM 524 C GLU A 41 6.649 2.104 -1.167 1.00 0.00 C ATOM 525 O GLU A 41 6.900 3.292 -1.178 1.00 0.00 O ATOM 526 CB GLU A 41 8.405 1.447 -2.841 1.00 0.00 C ATOM 527 CG GLU A 41 9.782 0.781 -2.903 1.00 0.00 C ATOM 528 CD GLU A 41 10.849 1.774 -2.440 1.00 0.00 C ATOM 529 OE1 GLU A 41 10.788 2.189 -1.294 1.00 0.00 O ATOM 530 OE2 GLU A 41 11.711 2.102 -3.240 1.00 0.00 O ATOM 0 H GLU A 41 6.542 -0.308 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 41 8.413 1.015 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.799 1.134 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.510 2.530 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.797 -0.107 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.993 0.452 -3.920 1.00 0.00 H new ATOM 537 N PHE A 42 5.456 1.666 -0.857 1.00 0.00 N ATOM 538 CA PHE A 42 4.370 2.606 -0.511 1.00 0.00 C ATOM 539 C PHE A 42 4.484 3.182 0.905 1.00 0.00 C ATOM 540 O PHE A 42 3.490 3.576 1.485 1.00 0.00 O ATOM 541 CB PHE A 42 3.084 1.793 -0.670 1.00 0.00 C ATOM 542 CG PHE A 42 2.891 0.797 0.466 1.00 0.00 C ATOM 543 CD1 PHE A 42 3.979 0.351 1.263 1.00 0.00 C ATOM 544 CD2 PHE A 42 1.595 0.306 0.717 1.00 0.00 C ATOM 545 CE1 PHE A 42 3.757 -0.578 2.303 1.00 0.00 C ATOM 546 CE2 PHE A 42 1.374 -0.623 1.757 1.00 0.00 C ATOM 547 CZ PHE A 42 2.455 -1.064 2.551 1.00 0.00 C ATOM 0 H PHE A 42 5.193 0.681 -0.831 1.00 0.00 H new ATOM 0 HA PHE A 42 4.405 3.482 -1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.230 2.470 -0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.109 1.259 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.975 0.722 1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.766 0.642 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.584 -0.917 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.378 -0.996 1.945 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.286 -1.773 3.348 1.00 0.00 H new ATOM 557 N GLU A 43 5.663 3.289 1.467 1.00 0.00 N ATOM 558 CA GLU A 43 5.760 3.900 2.823 1.00 0.00 C ATOM 559 C GLU A 43 5.126 5.290 2.744 1.00 0.00 C ATOM 560 O GLU A 43 4.050 5.527 3.254 1.00 0.00 O ATOM 561 CB GLU A 43 7.257 3.995 3.121 1.00 0.00 C ATOM 562 CG GLU A 43 7.471 4.789 4.412 1.00 0.00 C ATOM 563 CD GLU A 43 8.951 5.146 4.552 1.00 0.00 C ATOM 564 OE1 GLU A 43 9.707 4.296 4.994 1.00 0.00 O ATOM 565 OE2 GLU A 43 9.305 6.265 4.216 1.00 0.00 O ATOM 0 H GLU A 43 6.545 2.986 1.053 1.00 0.00 H new ATOM 0 HA GLU A 43 5.253 3.330 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.683 2.997 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.773 4.481 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.867 5.696 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.145 4.202 5.271 1.00 0.00 H new ATOM 572 N GLU A 44 5.771 6.191 2.060 1.00 0.00 N ATOM 573 CA GLU A 44 5.196 7.552 1.886 1.00 0.00 C ATOM 574 C GLU A 44 4.179 7.534 0.733 1.00 0.00 C ATOM 575 O GLU A 44 3.337 8.402 0.620 1.00 0.00 O ATOM 576 CB GLU A 44 6.386 8.452 1.545 1.00 0.00 C ATOM 577 CG GLU A 44 7.080 7.933 0.283 1.00 0.00 C ATOM 578 CD GLU A 44 7.699 9.107 -0.478 1.00 0.00 C ATOM 579 OE1 GLU A 44 8.711 9.614 -0.025 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.148 9.479 -1.502 1.00 0.00 O ATOM 0 H GLU A 44 6.675 6.043 1.612 1.00 0.00 H new ATOM 0 HA GLU A 44 4.674 7.904 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.047 9.476 1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.090 8.471 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.852 7.211 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.363 7.412 -0.351 1.00 0.00 H new ATOM 587 N ALA A 45 4.263 6.550 -0.134 1.00 0.00 N ATOM 588 CA ALA A 45 3.316 6.475 -1.290 1.00 0.00 C ATOM 589 C ALA A 45 1.911 6.070 -0.824 1.00 0.00 C ATOM 590 O ALA A 45 0.928 6.682 -1.190 1.00 0.00 O ATOM 591 CB ALA A 45 3.901 5.403 -2.218 1.00 0.00 C ATOM 0 H ALA A 45 4.948 5.796 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 45 3.212 7.439 -1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.260 5.290 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.899 5.703 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.960 4.454 -1.686 1.00 0.00 H new ATOM 597 N ALA A 46 1.807 5.041 -0.027 1.00 0.00 N ATOM 598 CA ALA A 46 0.463 4.599 0.448 1.00 0.00 C ATOM 599 C ALA A 46 -0.294 5.770 1.075 1.00 0.00 C ATOM 600 O ALA A 46 -1.501 5.865 0.974 1.00 0.00 O ATOM 601 CB ALA A 46 0.740 3.522 1.495 1.00 0.00 C ATOM 0 H ALA A 46 2.593 4.488 0.316 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.154 4.224 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.204 3.148 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.291 2.701 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.331 3.947 2.306 1.00 0.00 H new ATOM 607 N GLN A 47 0.402 6.663 1.721 1.00 0.00 N ATOM 608 CA GLN A 47 -0.288 7.824 2.351 1.00 0.00 C ATOM 609 C GLN A 47 -1.148 8.549 1.314 1.00 0.00 C ATOM 610 O GLN A 47 -2.158 9.142 1.638 1.00 0.00 O ATOM 611 CB GLN A 47 0.831 8.730 2.854 1.00 0.00 C ATOM 612 CG GLN A 47 1.115 8.417 4.324 1.00 0.00 C ATOM 613 CD GLN A 47 1.930 7.128 4.430 1.00 0.00 C ATOM 614 OE1 GLN A 47 1.360 5.985 4.162 1.00 0.00 O flip ATOM 615 NE2 GLN A 47 3.098 7.162 4.762 1.00 0.00 N flip ATOM 0 H GLN A 47 1.415 6.640 1.840 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.954 7.521 3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.731 8.580 2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.545 9.776 2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.661 9.242 4.782 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.178 8.312 4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.543 8.056 4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.634 6.297 4.831 1.00 0.00 H new ATOM 624 N ILE A 48 -0.764 8.499 0.064 1.00 0.00 N ATOM 625 CA ILE A 48 -1.573 9.178 -0.990 1.00 0.00 C ATOM 626 C ILE A 48 -3.028 8.722 -0.883 1.00 0.00 C ATOM 627 O ILE A 48 -3.947 9.458 -1.185 1.00 0.00 O ATOM 628 CB ILE A 48 -0.957 8.731 -2.317 1.00 0.00 C ATOM 629 CG1 ILE A 48 0.458 9.300 -2.437 1.00 0.00 C ATOM 630 CG2 ILE A 48 -1.811 9.242 -3.480 1.00 0.00 C ATOM 631 CD1 ILE A 48 0.398 10.829 -2.412 1.00 0.00 C ATOM 0 H ILE A 48 0.072 8.019 -0.270 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.566 10.264 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.918 7.642 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.078 8.937 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.921 8.959 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.369 8.922 -4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.820 8.838 -3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.853 10.331 -3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.406 11.234 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.207 11.183 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.048 11.160 -1.474 1.00 0.00 H new ATOM 643 N ARG A 49 -3.242 7.515 -0.431 1.00 0.00 N ATOM 644 CA ARG A 49 -4.636 7.015 -0.273 1.00 0.00 C ATOM 645 C ARG A 49 -5.424 8.009 0.588 1.00 0.00 C ATOM 646 O ARG A 49 -6.629 8.125 0.480 1.00 0.00 O ATOM 647 CB ARG A 49 -4.479 5.656 0.426 1.00 0.00 C ATOM 648 CG ARG A 49 -5.817 5.192 1.017 1.00 0.00 C ATOM 649 CD ARG A 49 -5.689 5.076 2.539 1.00 0.00 C ATOM 650 NE ARG A 49 -5.256 6.427 3.001 1.00 0.00 N ATOM 651 CZ ARG A 49 -5.964 7.069 3.890 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.213 7.355 3.648 1.00 0.00 N ATOM 653 NH2 ARG A 49 -5.420 7.424 5.023 1.00 0.00 N ATOM 0 H ARG A 49 -2.511 6.855 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.177 6.912 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.114 4.916 -0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.733 5.732 1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.605 5.900 0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.101 4.230 0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.638 4.790 2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.961 4.313 2.816 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.408 6.848 2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.638 7.077 2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.765 7.857 4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.443 7.200 5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.972 7.926 5.719 1.00 0.00 H new ATOM 667 N ASP A 50 -4.742 8.735 1.430 1.00 0.00 N ATOM 668 CA ASP A 50 -5.439 9.733 2.286 1.00 0.00 C ATOM 669 C ASP A 50 -5.961 10.874 1.413 1.00 0.00 C ATOM 670 O ASP A 50 -7.023 11.415 1.647 1.00 0.00 O ATOM 671 CB ASP A 50 -4.371 10.242 3.257 1.00 0.00 C ATOM 672 CG ASP A 50 -4.986 10.423 4.645 1.00 0.00 C ATOM 673 OD1 ASP A 50 -6.174 10.691 4.715 1.00 0.00 O ATOM 674 OD2 ASP A 50 -4.258 10.290 5.615 1.00 0.00 O ATOM 0 H ASP A 50 -3.732 8.680 1.562 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.293 9.310 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.542 9.536 3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.964 11.189 2.902 1.00 0.00 H new ATOM 679 N GLN A 51 -5.222 11.237 0.398 1.00 0.00 N ATOM 680 CA GLN A 51 -5.680 12.337 -0.500 1.00 0.00 C ATOM 681 C GLN A 51 -6.730 11.805 -1.479 1.00 0.00 C ATOM 682 O GLN A 51 -7.670 12.489 -1.831 1.00 0.00 O ATOM 683 CB GLN A 51 -4.426 12.785 -1.254 1.00 0.00 C ATOM 684 CG GLN A 51 -3.320 13.135 -0.255 1.00 0.00 C ATOM 685 CD GLN A 51 -2.020 13.418 -1.011 1.00 0.00 C ATOM 686 OE1 GLN A 51 -2.074 13.944 -2.205 1.00 0.00 O flip ATOM 687 NE2 GLN A 51 -0.945 13.158 -0.510 1.00 0.00 N flip ATOM 0 H GLN A 51 -4.324 10.821 0.153 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.137 13.159 0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.089 11.992 -1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.654 13.650 -1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.609 14.007 0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.174 12.313 0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.903 12.747 0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.084 13.350 -1.022 1.00 0.00 H new ATOM 696 N LEU A 52 -6.574 10.585 -1.918 1.00 0.00 N ATOM 697 CA LEU A 52 -7.559 10.001 -2.873 1.00 0.00 C ATOM 698 C LEU A 52 -8.965 10.031 -2.265 1.00 0.00 C ATOM 699 O LEU A 52 -9.956 10.058 -2.968 1.00 0.00 O ATOM 700 CB LEU A 52 -7.096 8.558 -3.081 1.00 0.00 C ATOM 701 CG LEU A 52 -6.508 8.400 -4.486 1.00 0.00 C ATOM 702 CD1 LEU A 52 -7.591 8.681 -5.529 1.00 0.00 C ATOM 703 CD2 LEU A 52 -5.352 9.387 -4.672 1.00 0.00 C ATOM 0 H LEU A 52 -5.806 9.967 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.606 10.555 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.349 8.295 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.935 7.875 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.139 7.382 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.171 8.568 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.413 7.977 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.962 9.698 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.934 9.274 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.719 10.405 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.579 9.185 -3.931 1.00 0.00 H new ATOM 715 N HIS A 53 -9.059 10.025 -0.963 1.00 0.00 N ATOM 716 CA HIS A 53 -10.399 10.051 -0.311 1.00 0.00 C ATOM 717 C HIS A 53 -10.992 11.462 -0.373 1.00 0.00 C ATOM 718 O HIS A 53 -12.148 11.646 -0.698 1.00 0.00 O ATOM 719 CB HIS A 53 -10.141 9.642 1.139 1.00 0.00 C ATOM 720 CG HIS A 53 -10.331 8.157 1.283 1.00 0.00 C ATOM 721 ND1 HIS A 53 -11.172 7.609 2.239 1.00 0.00 N ATOM 722 CD2 HIS A 53 -9.795 7.093 0.600 1.00 0.00 C ATOM 723 CE1 HIS A 53 -11.118 6.271 2.106 1.00 0.00 C ATOM 724 NE2 HIS A 53 -10.294 5.903 1.121 1.00 0.00 N ATOM 0 H HIS A 53 -8.265 10.003 -0.323 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.110 9.387 -0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.128 9.920 1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.822 10.173 1.804 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -9.093 7.168 -0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.674 5.579 2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.077 4.954 0.816 1.00 0.00 H new ATOM 732 N GLN A 54 -10.208 12.459 -0.064 1.00 0.00 N ATOM 733 CA GLN A 54 -10.729 13.856 -0.104 1.00 0.00 C ATOM 734 C GLN A 54 -11.130 14.231 -1.533 1.00 0.00 C ATOM 735 O GLN A 54 -12.132 14.882 -1.757 1.00 0.00 O ATOM 736 CB GLN A 54 -9.564 14.726 0.371 1.00 0.00 C ATOM 737 CG GLN A 54 -9.982 16.197 0.346 1.00 0.00 C ATOM 738 CD GLN A 54 -9.386 16.919 1.556 1.00 0.00 C ATOM 739 OE1 GLN A 54 -9.682 16.582 2.685 1.00 0.00 O ATOM 740 NE2 GLN A 54 -8.552 17.905 1.366 1.00 0.00 N ATOM 0 H GLN A 54 -9.231 12.367 0.214 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.615 13.984 0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.269 14.438 1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.696 14.573 -0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.640 16.667 -0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.069 16.277 0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.304 18.188 0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.148 18.393 2.166 1.00 0.00 H new ATOM 749 N LEU A 55 -10.357 13.825 -2.503 1.00 0.00 N ATOM 750 CA LEU A 55 -10.695 14.159 -3.917 1.00 0.00 C ATOM 751 C LEU A 55 -12.103 13.661 -4.255 1.00 0.00 C ATOM 752 O LEU A 55 -12.788 14.225 -5.086 1.00 0.00 O ATOM 753 CB LEU A 55 -9.647 13.428 -4.757 1.00 0.00 C ATOM 754 CG LEU A 55 -8.382 14.283 -4.853 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.197 13.519 -4.256 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.093 14.602 -6.321 1.00 0.00 C ATOM 0 H LEU A 55 -9.506 13.277 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.687 15.233 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.413 12.463 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.040 13.228 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.530 15.210 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.297 14.131 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.401 13.291 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.048 12.590 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.192 15.211 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.947 13.674 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.934 15.149 -6.747 1.00 0.00 H new ATOM 768 N ARG A 56 -12.541 12.611 -3.617 1.00 0.00 N ATOM 769 CA ARG A 56 -13.905 12.078 -3.901 1.00 0.00 C ATOM 770 C ARG A 56 -14.949 13.186 -3.733 1.00 0.00 C ATOM 771 O ARG A 56 -15.827 13.355 -4.553 1.00 0.00 O ATOM 772 CB ARG A 56 -14.120 10.975 -2.862 1.00 0.00 C ATOM 773 CG ARG A 56 -15.539 10.418 -2.987 1.00 0.00 C ATOM 774 CD ARG A 56 -16.161 10.290 -1.594 1.00 0.00 C ATOM 775 NE ARG A 56 -17.037 9.089 -1.673 1.00 0.00 N ATOM 776 CZ ARG A 56 -17.701 8.695 -0.620 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.479 9.532 0.010 1.00 0.00 N ATOM 778 NH2 ARG A 56 -17.589 7.465 -0.199 1.00 0.00 N ATOM 0 H ARG A 56 -12.014 12.098 -2.911 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.001 11.703 -4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.392 10.177 -3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.962 11.371 -1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.146 11.076 -3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.517 9.445 -3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.394 10.170 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.734 11.180 -1.334 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.119 8.574 -2.550 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -18.568 10.493 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.998 9.225 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.982 6.810 -0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.108 7.158 0.624 1.00 0.00 H new ATOM 792 N GLU A 57 -14.857 13.942 -2.674 1.00 0.00 N ATOM 793 CA GLU A 57 -15.838 15.041 -2.444 1.00 0.00 C ATOM 794 C GLU A 57 -15.942 15.927 -3.691 1.00 0.00 C ATOM 795 O GLU A 57 -16.990 16.052 -4.294 1.00 0.00 O ATOM 796 CB GLU A 57 -15.259 15.829 -1.266 1.00 0.00 C ATOM 797 CG GLU A 57 -16.038 17.131 -1.068 1.00 0.00 C ATOM 798 CD GLU A 57 -15.427 18.231 -1.940 1.00 0.00 C ATOM 799 OE1 GLU A 57 -14.352 18.697 -1.603 1.00 0.00 O ATOM 800 OE2 GLU A 57 -16.045 18.588 -2.929 1.00 0.00 O ATOM 0 H GLU A 57 -14.141 13.846 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.843 14.672 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.305 15.227 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.207 16.050 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.085 16.984 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.011 17.427 -0.019 1.00 0.00 H new ATOM 807 N LEU A 58 -14.860 16.548 -4.068 1.00 0.00 N ATOM 808 CA LEU A 58 -14.871 17.442 -5.268 1.00 0.00 C ATOM 809 C LEU A 58 -15.597 16.783 -6.449 1.00 0.00 C ATOM 810 O LEU A 58 -16.113 17.455 -7.320 1.00 0.00 O ATOM 811 CB LEU A 58 -13.396 17.663 -5.605 1.00 0.00 C ATOM 812 CG LEU A 58 -12.823 18.753 -4.698 1.00 0.00 C ATOM 813 CD1 LEU A 58 -11.391 18.386 -4.302 1.00 0.00 C ATOM 814 CD2 LEU A 58 -12.818 20.087 -5.446 1.00 0.00 C ATOM 0 H LEU A 58 -13.959 16.476 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.399 18.375 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.839 16.735 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.290 17.952 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.437 18.840 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.982 19.162 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.393 17.435 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.777 18.299 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.410 20.865 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.203 19.999 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.837 20.349 -5.730 1.00 0.00 H new ATOM 826 N PHE A 59 -15.640 15.477 -6.492 1.00 0.00 N ATOM 827 CA PHE A 59 -16.333 14.789 -7.625 1.00 0.00 C ATOM 828 C PHE A 59 -17.726 15.389 -7.851 1.00 0.00 C ATOM 829 O PHE A 59 -18.103 15.701 -8.963 1.00 0.00 O ATOM 830 CB PHE A 59 -16.450 13.327 -7.193 1.00 0.00 C ATOM 831 CG PHE A 59 -17.051 12.518 -8.317 1.00 0.00 C ATOM 832 CD1 PHE A 59 -18.443 12.559 -8.551 1.00 0.00 C ATOM 833 CD2 PHE A 59 -16.220 11.719 -9.136 1.00 0.00 C ATOM 834 CE1 PHE A 59 -19.006 11.802 -9.604 1.00 0.00 C ATOM 835 CE2 PHE A 59 -16.783 10.962 -10.188 1.00 0.00 C ATOM 836 CZ PHE A 59 -18.176 11.004 -10.422 1.00 0.00 C ATOM 0 H PHE A 59 -15.227 14.857 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.786 14.899 -8.561 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -15.467 12.934 -6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.072 13.249 -6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -19.078 13.169 -7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.155 11.687 -8.957 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -20.071 11.834 -9.783 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.149 10.351 -10.813 1.00 0.00 H new ATOM 0 HZ PHE A 59 -18.606 10.426 -11.226 1.00 0.00 H new ATOM 846 N ILE A 60 -18.489 15.553 -6.806 1.00 0.00 N ATOM 847 CA ILE A 60 -19.854 16.131 -6.965 1.00 0.00 C ATOM 848 C ILE A 60 -19.761 17.568 -7.487 1.00 0.00 C ATOM 849 O ILE A 60 -20.517 17.976 -8.346 1.00 0.00 O ATOM 850 CB ILE A 60 -20.460 16.110 -5.561 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.573 14.662 -5.080 1.00 0.00 C ATOM 852 CG2 ILE A 60 -21.851 16.745 -5.595 1.00 0.00 C ATOM 853 CD1 ILE A 60 -20.405 14.614 -3.560 1.00 0.00 C ATOM 0 H ILE A 60 -18.227 15.312 -5.850 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.459 15.571 -7.678 1.00 0.00 H new ATOM 0 HB ILE A 60 -19.821 16.673 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.541 14.248 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -19.811 14.048 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.282 16.730 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.772 17.776 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.491 16.183 -6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.486 13.582 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.427 15.011 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.183 15.215 -3.089 1.00 0.00 H new ATOM 865 N ALA A 61 -18.837 18.335 -6.977 1.00 0.00 N ATOM 866 CA ALA A 61 -18.694 19.743 -7.447 1.00 0.00 C ATOM 867 C ALA A 61 -18.453 19.773 -8.958 1.00 0.00 C ATOM 868 O ALA A 61 -18.672 20.776 -9.611 1.00 0.00 O ATOM 869 CB ALA A 61 -17.478 20.288 -6.698 1.00 0.00 C ATOM 0 H ALA A 61 -18.175 18.048 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 61 -19.589 20.336 -7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.305 21.324 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -17.660 20.239 -5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.601 19.690 -6.945 1.00 0.00 H new ATOM 875 N ALA A 62 -18.005 18.685 -9.521 1.00 0.00 N ATOM 876 CA ALA A 62 -17.751 18.655 -10.991 1.00 0.00 C ATOM 877 C ALA A 62 -18.876 17.901 -11.707 1.00 0.00 C ATOM 878 O ALA A 62 -19.612 18.465 -12.492 1.00 0.00 O ATOM 879 CB ALA A 62 -16.423 17.914 -11.149 1.00 0.00 C ATOM 0 H ALA A 62 -17.804 17.815 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 62 -17.713 19.655 -11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.166 17.850 -12.206 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.640 18.454 -10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.516 16.909 -10.737 1.00 0.00 H new ATOM 1059 N PRO B 19 15.818 -18.510 7.982 1.00 0.00 N ATOM 1060 CA PRO B 19 15.655 -19.739 8.793 1.00 0.00 C ATOM 1061 C PRO B 19 14.202 -20.239 8.783 1.00 0.00 C ATOM 1062 O PRO B 19 13.744 -20.816 9.748 1.00 0.00 O ATOM 1063 CB PRO B 19 16.034 -19.282 10.198 1.00 0.00 C ATOM 1064 CG PRO B 19 15.753 -17.807 10.230 1.00 0.00 C ATOM 1065 CD PRO B 19 15.730 -17.301 8.807 1.00 0.00 C ATOM 0 HA PRO B 19 16.258 -20.565 8.416 1.00 0.00 H new ATOM 0 HB2 PRO B 19 15.450 -19.809 10.953 1.00 0.00 H new ATOM 0 HB3 PRO B 19 17.084 -19.486 10.407 1.00 0.00 H new ATOM 0 HG2 PRO B 19 14.798 -17.612 10.718 1.00 0.00 H new ATOM 0 HG3 PRO B 19 16.518 -17.287 10.806 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.816 -16.745 8.599 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.564 -16.627 8.613 1.00 0.00 H new ATOM 1073 N LYS B 20 13.469 -20.024 7.713 1.00 0.00 N ATOM 1074 CA LYS B 20 12.041 -20.488 7.660 1.00 0.00 C ATOM 1075 C LYS B 20 11.192 -19.696 8.659 1.00 0.00 C ATOM 1076 O LYS B 20 10.319 -18.942 8.277 1.00 0.00 O ATOM 1077 CB LYS B 20 12.058 -21.979 8.025 1.00 0.00 C ATOM 1078 CG LYS B 20 10.777 -22.641 7.517 1.00 0.00 C ATOM 1079 CD LYS B 20 9.618 -22.288 8.450 1.00 0.00 C ATOM 1080 CE LYS B 20 8.776 -23.538 8.717 1.00 0.00 C ATOM 1081 NZ LYS B 20 9.247 -24.043 10.036 1.00 0.00 N ATOM 0 H LYS B 20 13.798 -19.547 6.873 1.00 0.00 H new ATOM 0 HA LYS B 20 11.606 -20.333 6.673 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.930 -22.463 7.584 1.00 0.00 H new ATOM 0 HB3 LYS B 20 12.139 -22.099 9.105 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.558 -22.305 6.504 1.00 0.00 H new ATOM 0 HG3 LYS B 20 10.906 -23.722 7.473 1.00 0.00 H new ATOM 0 HD2 LYS B 20 10.002 -21.888 9.389 1.00 0.00 H new ATOM 0 HD3 LYS B 20 9.000 -21.510 8.001 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.713 -23.300 8.742 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.917 -24.284 7.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 8.716 -24.901 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 10.261 -24.267 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 9.093 -23.314 10.762 1.00 0.00 H new ATOM 1095 N ALA B 21 11.443 -19.849 9.934 1.00 0.00 N ATOM 1096 CA ALA B 21 10.652 -19.089 10.950 1.00 0.00 C ATOM 1097 C ALA B 21 10.610 -17.607 10.567 1.00 0.00 C ATOM 1098 O ALA B 21 9.560 -16.996 10.518 1.00 0.00 O ATOM 1099 CB ALA B 21 11.404 -19.284 12.268 1.00 0.00 C ATOM 0 H ALA B 21 12.160 -20.466 10.316 1.00 0.00 H new ATOM 0 HA ALA B 21 9.620 -19.434 11.021 1.00 0.00 H new ATOM 0 HB1 ALA B 21 10.884 -18.754 13.066 1.00 0.00 H new ATOM 0 HB2 ALA B 21 11.449 -20.346 12.507 1.00 0.00 H new ATOM 0 HB3 ALA B 21 12.416 -18.891 12.171 1.00 0.00 H new ATOM 1105 N LEU B 22 11.745 -17.037 10.271 1.00 0.00 N ATOM 1106 CA LEU B 22 11.773 -15.605 9.861 1.00 0.00 C ATOM 1107 C LEU B 22 11.057 -15.461 8.519 1.00 0.00 C ATOM 1108 O LEU B 22 10.116 -14.706 8.376 1.00 0.00 O ATOM 1109 CB LEU B 22 13.260 -15.267 9.706 1.00 0.00 C ATOM 1110 CG LEU B 22 13.572 -13.931 10.381 1.00 0.00 C ATOM 1111 CD1 LEU B 22 12.616 -12.854 9.861 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.411 -14.083 11.894 1.00 0.00 C ATOM 0 H LEU B 22 12.653 -17.500 10.295 1.00 0.00 H new ATOM 0 HA LEU B 22 11.282 -14.947 10.578 1.00 0.00 H new ATOM 0 HB2 LEU B 22 13.868 -16.057 10.148 1.00 0.00 H new ATOM 0 HB3 LEU B 22 13.521 -15.218 8.649 1.00 0.00 H new ATOM 0 HG LEU B 22 14.596 -13.635 10.153 1.00 0.00 H new ATOM 0 HD11 LEU B 22 12.841 -11.903 10.344 1.00 0.00 H new ATOM 0 HD12 LEU B 22 12.737 -12.750 8.783 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.589 -13.140 10.085 1.00 0.00 H new ATOM 0 HD21 LEU B 22 13.632 -13.133 12.381 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.387 -14.378 12.123 1.00 0.00 H new ATOM 0 HD23 LEU B 22 14.099 -14.846 12.258 1.00 0.00 H new ATOM 1124 N GLN B 23 11.505 -16.195 7.539 1.00 0.00 N ATOM 1125 CA GLN B 23 10.872 -16.138 6.189 1.00 0.00 C ATOM 1126 C GLN B 23 9.347 -16.244 6.306 1.00 0.00 C ATOM 1127 O GLN B 23 8.616 -15.432 5.775 1.00 0.00 O ATOM 1128 CB GLN B 23 11.436 -17.355 5.450 1.00 0.00 C ATOM 1129 CG GLN B 23 10.809 -17.447 4.057 1.00 0.00 C ATOM 1130 CD GLN B 23 11.821 -16.985 3.009 1.00 0.00 C ATOM 1131 OE1 GLN B 23 12.782 -17.673 2.730 1.00 0.00 O ATOM 1132 NE2 GLN B 23 11.646 -15.838 2.412 1.00 0.00 N ATOM 0 H GLN B 23 12.292 -16.840 7.616 1.00 0.00 H new ATOM 0 HA GLN B 23 11.082 -15.202 5.672 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.520 -17.272 5.367 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.228 -18.264 6.014 1.00 0.00 H new ATOM 0 HG2 GLN B 23 10.501 -18.472 3.853 1.00 0.00 H new ATOM 0 HG3 GLN B 23 9.912 -16.829 4.009 1.00 0.00 H new ATOM 0 HE21 GLN B 23 10.839 -15.259 2.646 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.316 -15.520 1.712 1.00 0.00 H new ATOM 1141 N GLN B 24 8.865 -17.240 6.998 1.00 0.00 N ATOM 1142 CA GLN B 24 7.391 -17.400 7.149 1.00 0.00 C ATOM 1143 C GLN B 24 6.807 -16.216 7.925 1.00 0.00 C ATOM 1144 O GLN B 24 5.708 -15.771 7.663 1.00 0.00 O ATOM 1145 CB GLN B 24 7.212 -18.698 7.937 1.00 0.00 C ATOM 1146 CG GLN B 24 5.867 -19.333 7.577 1.00 0.00 C ATOM 1147 CD GLN B 24 4.968 -19.362 8.813 1.00 0.00 C ATOM 1148 OE1 GLN B 24 5.402 -19.734 9.886 1.00 0.00 O ATOM 1149 NE2 GLN B 24 3.724 -18.982 8.710 1.00 0.00 N ATOM 0 H GLN B 24 9.429 -17.950 7.465 1.00 0.00 H new ATOM 0 HA GLN B 24 6.879 -17.433 6.187 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.024 -19.388 7.710 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.256 -18.495 9.007 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.387 -18.766 6.779 1.00 0.00 H new ATOM 0 HG3 GLN B 24 6.020 -20.345 7.202 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.359 -18.670 7.810 1.00 0.00 H new ATOM 0 HE22 GLN B 24 3.117 -18.997 9.529 1.00 0.00 H new ATOM 1158 N LYS B 25 7.536 -15.703 8.879 1.00 0.00 N ATOM 1159 CA LYS B 25 7.022 -14.548 9.670 1.00 0.00 C ATOM 1160 C LYS B 25 6.898 -13.310 8.779 1.00 0.00 C ATOM 1161 O LYS B 25 5.920 -12.590 8.831 1.00 0.00 O ATOM 1162 CB LYS B 25 8.065 -14.322 10.764 1.00 0.00 C ATOM 1163 CG LYS B 25 7.736 -15.200 11.973 1.00 0.00 C ATOM 1164 CD LYS B 25 8.970 -15.319 12.870 1.00 0.00 C ATOM 1165 CE LYS B 25 8.544 -15.247 14.337 1.00 0.00 C ATOM 1166 NZ LYS B 25 9.097 -16.483 14.960 1.00 0.00 N ATOM 0 H LYS B 25 8.464 -16.033 9.145 1.00 0.00 H new ATOM 0 HA LYS B 25 6.032 -14.739 10.085 1.00 0.00 H new ATOM 0 HB2 LYS B 25 9.060 -14.561 10.388 1.00 0.00 H new ATOM 0 HB3 LYS B 25 8.079 -13.272 11.057 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.906 -14.769 12.533 1.00 0.00 H new ATOM 0 HG3 LYS B 25 7.418 -16.188 11.642 1.00 0.00 H new ATOM 0 HD2 LYS B 25 9.484 -16.260 12.676 1.00 0.00 H new ATOM 0 HD3 LYS B 25 9.675 -14.518 12.645 1.00 0.00 H new ATOM 0 HE2 LYS B 25 8.938 -14.352 14.819 1.00 0.00 H new ATOM 0 HE3 LYS B 25 7.459 -15.209 14.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 8.846 -16.505 15.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 8.699 -17.319 14.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 10.132 -16.488 14.861 1.00 0.00 H new ATOM 1180 N ILE B 26 7.882 -13.056 7.961 1.00 0.00 N ATOM 1181 CA ILE B 26 7.819 -11.864 7.065 1.00 0.00 C ATOM 1182 C ILE B 26 6.740 -12.064 5.998 1.00 0.00 C ATOM 1183 O ILE B 26 5.858 -11.245 5.833 1.00 0.00 O ATOM 1184 CB ILE B 26 9.203 -11.779 6.422 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.252 -11.507 7.503 1.00 0.00 C ATOM 1186 CG2 ILE B 26 9.222 -10.641 5.399 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.651 -11.638 6.901 1.00 0.00 C ATOM 0 H ILE B 26 8.727 -13.621 7.873 1.00 0.00 H new ATOM 0 HA ILE B 26 7.566 -10.952 7.605 1.00 0.00 H new ATOM 0 HB ILE B 26 9.429 -12.721 5.923 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.114 -10.507 7.915 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.132 -12.211 8.327 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.209 -10.580 4.940 1.00 0.00 H new ATOM 0 HG22 ILE B 26 8.475 -10.832 4.628 1.00 0.00 H new ATOM 0 HG23 ILE B 26 8.996 -9.699 5.898 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.398 -11.444 7.671 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.786 -12.647 6.510 1.00 0.00 H new ATOM 0 HD13 ILE B 26 11.768 -10.917 6.092 1.00 0.00 H new ATOM 1199 N HIS B 27 6.803 -13.147 5.273 1.00 0.00 N ATOM 1200 CA HIS B 27 5.780 -13.397 4.217 1.00 0.00 C ATOM 1201 C HIS B 27 4.379 -13.427 4.836 1.00 0.00 C ATOM 1202 O HIS B 27 3.390 -13.203 4.168 1.00 0.00 O ATOM 1203 CB HIS B 27 6.139 -14.765 3.635 1.00 0.00 C ATOM 1204 CG HIS B 27 6.897 -14.579 2.349 1.00 0.00 C ATOM 1205 ND1 HIS B 27 6.467 -13.713 1.355 1.00 0.00 N ATOM 1206 CD2 HIS B 27 8.059 -15.139 1.880 1.00 0.00 C ATOM 1207 CE1 HIS B 27 7.357 -13.777 0.348 1.00 0.00 C ATOM 1208 NE2 HIS B 27 8.348 -14.632 0.617 1.00 0.00 N ATOM 0 H HIS B 27 7.517 -13.869 5.366 1.00 0.00 H new ATOM 0 HA HIS B 27 5.774 -12.619 3.454 1.00 0.00 H new ATOM 0 HB2 HIS B 27 6.742 -15.328 4.347 1.00 0.00 H new ATOM 0 HB3 HIS B 27 5.234 -15.345 3.455 1.00 0.00 H new ATOM 0 HD2 HIS B 27 8.658 -15.864 2.411 1.00 0.00 H new ATOM 0 HE1 HIS B 27 7.280 -13.207 -0.566 1.00 0.00 H new ATOM 0 HE2 HIS B 27 9.145 -14.863 0.024 1.00 0.00 H new ATOM 1216 N GLU B 28 4.290 -13.703 6.109 1.00 0.00 N ATOM 1217 CA GLU B 28 2.954 -13.746 6.769 1.00 0.00 C ATOM 1218 C GLU B 28 2.337 -12.345 6.806 1.00 0.00 C ATOM 1219 O GLU B 28 1.331 -12.082 6.178 1.00 0.00 O ATOM 1220 CB GLU B 28 3.228 -14.249 8.187 1.00 0.00 C ATOM 1221 CG GLU B 28 2.857 -15.730 8.284 1.00 0.00 C ATOM 1222 CD GLU B 28 1.587 -15.886 9.121 1.00 0.00 C ATOM 1223 OE1 GLU B 28 1.685 -15.783 10.333 1.00 0.00 O ATOM 1224 OE2 GLU B 28 0.539 -16.105 8.537 1.00 0.00 O ATOM 0 H GLU B 28 5.083 -13.900 6.719 1.00 0.00 H new ATOM 0 HA GLU B 28 2.252 -14.388 6.238 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.280 -14.110 8.437 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.650 -13.670 8.908 1.00 0.00 H new ATOM 0 HG2 GLU B 28 2.701 -16.142 7.287 1.00 0.00 H new ATOM 0 HG3 GLU B 28 3.674 -16.291 8.737 1.00 0.00 H new ATOM 1231 N LEU B 29 2.933 -11.443 7.537 1.00 0.00 N ATOM 1232 CA LEU B 29 2.381 -10.060 7.611 1.00 0.00 C ATOM 1233 C LEU B 29 2.483 -9.379 6.244 1.00 0.00 C ATOM 1234 O LEU B 29 1.606 -8.641 5.840 1.00 0.00 O ATOM 1235 CB LEU B 29 3.256 -9.338 8.638 1.00 0.00 C ATOM 1236 CG LEU B 29 2.739 -9.638 10.046 1.00 0.00 C ATOM 1237 CD1 LEU B 29 3.587 -10.745 10.677 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.836 -8.372 10.903 1.00 0.00 C ATOM 0 H LEU B 29 3.778 -11.603 8.086 1.00 0.00 H new ATOM 0 HA LEU B 29 1.329 -10.049 7.894 1.00 0.00 H new ATOM 0 HB2 LEU B 29 4.292 -9.663 8.542 1.00 0.00 H new ATOM 0 HB3 LEU B 29 3.241 -8.264 8.454 1.00 0.00 H new ATOM 0 HG LEU B 29 1.700 -9.963 9.990 1.00 0.00 H new ATOM 0 HD11 LEU B 29 3.218 -10.959 11.680 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.522 -11.646 10.067 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.626 -10.420 10.734 1.00 0.00 H new ATOM 0 HD21 LEU B 29 2.468 -8.583 11.907 1.00 0.00 H new ATOM 0 HD22 LEU B 29 3.875 -8.049 10.958 1.00 0.00 H new ATOM 0 HD23 LEU B 29 2.234 -7.582 10.455 1.00 0.00 H new ATOM 1250 N GLU B 30 3.545 -9.625 5.526 1.00 0.00 N ATOM 1251 CA GLU B 30 3.699 -8.994 4.184 1.00 0.00 C ATOM 1252 C GLU B 30 2.551 -9.427 3.269 1.00 0.00 C ATOM 1253 O GLU B 30 1.941 -8.618 2.598 1.00 0.00 O ATOM 1254 CB GLU B 30 5.035 -9.516 3.652 1.00 0.00 C ATOM 1255 CG GLU B 30 5.383 -8.795 2.349 1.00 0.00 C ATOM 1256 CD GLU B 30 5.316 -9.785 1.184 1.00 0.00 C ATOM 1257 OE1 GLU B 30 4.549 -10.729 1.278 1.00 0.00 O ATOM 1258 OE2 GLU B 30 6.033 -9.581 0.218 1.00 0.00 O ATOM 0 H GLU B 30 4.312 -10.235 5.810 1.00 0.00 H new ATOM 0 HA GLU B 30 3.678 -7.905 4.231 1.00 0.00 H new ATOM 0 HB2 GLU B 30 5.820 -9.354 4.390 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.975 -10.591 3.480 1.00 0.00 H new ATOM 0 HG2 GLU B 30 4.689 -7.971 2.180 1.00 0.00 H new ATOM 0 HG3 GLU B 30 6.381 -8.363 2.416 1.00 0.00 H new ATOM 1265 N GLY B 31 2.250 -10.696 3.240 1.00 0.00 N ATOM 1266 CA GLY B 31 1.139 -11.178 2.372 1.00 0.00 C ATOM 1267 C GLY B 31 -0.150 -10.447 2.749 1.00 0.00 C ATOM 1268 O GLY B 31 -1.003 -10.204 1.919 1.00 0.00 O ATOM 0 H GLY B 31 2.725 -11.420 3.780 1.00 0.00 H new ATOM 0 HA2 GLY B 31 1.378 -11.000 1.323 1.00 0.00 H new ATOM 0 HA3 GLY B 31 1.009 -12.254 2.492 1.00 0.00 H new ATOM 1272 N LEU B 32 -0.297 -10.091 3.996 1.00 0.00 N ATOM 1273 CA LEU B 32 -1.530 -9.371 4.425 1.00 0.00 C ATOM 1274 C LEU B 32 -1.469 -7.911 3.971 1.00 0.00 C ATOM 1275 O LEU B 32 -2.475 -7.297 3.680 1.00 0.00 O ATOM 1276 CB LEU B 32 -1.529 -9.458 5.952 1.00 0.00 C ATOM 1277 CG LEU B 32 -2.714 -8.671 6.511 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -4.013 -9.423 6.213 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -2.553 -8.512 8.024 1.00 0.00 C ATOM 0 H LEU B 32 0.383 -10.267 4.736 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.433 -9.802 3.994 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.590 -10.500 6.267 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -0.595 -9.059 6.348 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.749 -7.687 6.044 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -4.858 -8.862 6.612 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.129 -9.536 5.135 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.979 -10.407 6.680 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.398 -7.951 8.423 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.518 -9.496 8.492 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.628 -7.976 8.237 1.00 0.00 H new ATOM 1291 N MET B 33 -0.291 -7.354 3.906 1.00 0.00 N ATOM 1292 CA MET B 33 -0.157 -5.935 3.468 1.00 0.00 C ATOM 1293 C MET B 33 -0.223 -5.844 1.941 1.00 0.00 C ATOM 1294 O MET B 33 -0.607 -4.835 1.386 1.00 0.00 O ATOM 1295 CB MET B 33 1.220 -5.500 3.972 1.00 0.00 C ATOM 1296 CG MET B 33 1.513 -4.076 3.497 1.00 0.00 C ATOM 1297 SD MET B 33 2.462 -4.138 1.956 1.00 0.00 S ATOM 1298 CE MET B 33 4.087 -3.788 2.674 1.00 0.00 C ATOM 0 H MET B 33 0.586 -7.821 4.138 1.00 0.00 H new ATOM 0 HA MET B 33 -0.955 -5.303 3.857 1.00 0.00 H new ATOM 0 HB2 MET B 33 1.251 -5.545 5.061 1.00 0.00 H new ATOM 0 HB3 MET B 33 1.986 -6.182 3.603 1.00 0.00 H new ATOM 0 HG2 MET B 33 0.580 -3.534 3.341 1.00 0.00 H new ATOM 0 HG3 MET B 33 2.072 -3.534 4.260 1.00 0.00 H new ATOM 0 HE1 MET B 33 4.589 -3.023 2.082 1.00 0.00 H new ATOM 0 HE2 MET B 33 3.964 -3.432 3.697 1.00 0.00 H new ATOM 0 HE3 MET B 33 4.687 -4.698 2.676 1.00 0.00 H new ATOM 1308 N MET B 34 0.156 -6.891 1.261 1.00 0.00 N ATOM 1309 CA MET B 34 0.123 -6.867 -0.231 1.00 0.00 C ATOM 1310 C MET B 34 -1.297 -7.122 -0.745 1.00 0.00 C ATOM 1311 O MET B 34 -1.771 -6.453 -1.641 1.00 0.00 O ATOM 1312 CB MET B 34 1.058 -7.996 -0.663 1.00 0.00 C ATOM 1313 CG MET B 34 1.439 -7.810 -2.134 1.00 0.00 C ATOM 1314 SD MET B 34 3.219 -7.507 -2.271 1.00 0.00 S ATOM 1315 CE MET B 34 3.131 -6.194 -3.513 1.00 0.00 C ATOM 0 H MET B 34 0.487 -7.763 1.673 1.00 0.00 H new ATOM 0 HA MET B 34 0.431 -5.901 -0.631 1.00 0.00 H new ATOM 0 HB2 MET B 34 1.954 -7.998 -0.042 1.00 0.00 H new ATOM 0 HB3 MET B 34 0.570 -8.960 -0.522 1.00 0.00 H new ATOM 0 HG2 MET B 34 1.167 -8.698 -2.705 1.00 0.00 H new ATOM 0 HG3 MET B 34 0.884 -6.974 -2.560 1.00 0.00 H new ATOM 0 HE1 MET B 34 3.634 -6.520 -4.424 1.00 0.00 H new ATOM 0 HE2 MET B 34 2.087 -5.972 -3.734 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.619 -5.298 -3.130 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.977 -8.089 -0.192 1.00 0.00 N ATOM 1326 CA GLN B 35 -3.362 -8.389 -0.662 1.00 0.00 C ATOM 1327 C GLN B 35 -4.234 -7.130 -0.606 1.00 0.00 C ATOM 1328 O GLN B 35 -5.077 -6.914 -1.453 1.00 0.00 O ATOM 1329 CB GLN B 35 -3.890 -9.456 0.299 1.00 0.00 C ATOM 1330 CG GLN B 35 -3.887 -8.911 1.729 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.433 -9.978 2.681 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -5.413 -9.756 3.362 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -3.834 -11.135 2.757 1.00 0.00 N ATOM 0 H GLN B 35 -1.636 -8.684 0.563 1.00 0.00 H new ATOM 0 HA GLN B 35 -3.376 -8.732 -1.696 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -4.900 -9.748 0.013 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -3.271 -10.351 0.240 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -2.875 -8.631 2.021 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.497 -8.009 1.788 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -3.011 -11.322 2.185 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -4.189 -11.853 3.389 1.00 0.00 H new ATOM 1342 N HIS B 36 -4.041 -6.297 0.382 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.866 -5.059 0.478 1.00 0.00 C ATOM 1344 C HIS B 36 -4.324 -3.983 -0.468 1.00 0.00 C ATOM 1345 O HIS B 36 -5.059 -3.384 -1.226 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.742 -4.612 1.934 1.00 0.00 C ATOM 1347 CG HIS B 36 -5.566 -5.516 2.808 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -4.993 -6.473 3.632 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -6.922 -5.622 2.998 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -5.992 -7.106 4.274 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -7.189 -6.626 3.924 1.00 0.00 N ATOM 0 H HIS B 36 -3.351 -6.420 1.123 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.904 -5.232 0.194 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -3.698 -4.639 2.246 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -5.079 -3.581 2.039 1.00 0.00 H new ATOM 0 HD1 HIS B 36 -3.996 -6.663 3.733 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -7.668 -5.018 2.504 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -5.844 -7.905 4.986 1.00 0.00 H new ATOM 1359 N ALA B 37 -3.042 -3.734 -0.429 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.453 -2.694 -1.327 1.00 0.00 C ATOM 1361 C ALA B 37 -2.901 -2.934 -2.774 1.00 0.00 C ATOM 1362 O ALA B 37 -3.120 -2.008 -3.530 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.940 -2.872 -1.200 1.00 0.00 C ATOM 0 H ALA B 37 -2.377 -4.204 0.185 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.769 -1.686 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.434 -2.142 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.642 -2.723 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.664 -3.878 -1.515 1.00 0.00 H new ATOM 1369 N GLN B 38 -3.043 -4.173 -3.160 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.483 -4.476 -4.552 1.00 0.00 C ATOM 1371 C GLN B 38 -4.960 -4.112 -4.726 1.00 0.00 C ATOM 1372 O GLN B 38 -5.369 -3.606 -5.751 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.277 -5.983 -4.715 1.00 0.00 C ATOM 1374 CG GLN B 38 -1.811 -6.267 -5.045 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.652 -7.736 -5.441 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -2.627 -8.438 -5.622 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -0.454 -8.233 -5.587 1.00 0.00 N ATOM 0 H GLN B 38 -2.873 -4.989 -2.572 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.925 -3.908 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.561 -6.500 -3.799 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.920 -6.364 -5.509 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -1.479 -5.622 -5.859 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.183 -6.042 -4.183 1.00 0.00 H new ATOM 0 HE21 GLN B 38 0.365 -7.644 -5.435 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -0.336 -9.211 -5.853 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.762 -4.364 -3.727 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.211 -4.028 -3.830 1.00 0.00 C ATOM 1388 C ASN B 39 -7.467 -2.625 -3.271 1.00 0.00 C ATOM 1389 O ASN B 39 -8.577 -2.278 -2.918 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.923 -5.081 -2.982 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.989 -6.401 -3.753 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -7.203 -6.634 -4.649 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -8.899 -7.281 -3.439 1.00 0.00 N ATOM 0 H ASN B 39 -5.477 -4.788 -2.844 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.564 -4.029 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.393 -5.224 -2.041 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.929 -4.743 -2.733 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.950 -8.165 -3.946 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -9.559 -7.086 -2.686 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.446 -1.815 -3.187 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.625 -0.435 -2.651 1.00 0.00 C ATOM 1402 C LEU B 40 -7.296 -0.481 -1.276 1.00 0.00 C ATOM 1403 O LEU B 40 -7.915 0.471 -0.843 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.520 0.275 -3.667 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.648 1.004 -4.691 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.675 0.247 -6.019 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.188 2.421 -4.901 1.00 0.00 C ATOM 0 H LEU B 40 -5.494 -2.050 -3.467 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.674 0.082 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.163 -0.448 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -8.174 0.984 -3.159 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.623 1.054 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.053 0.768 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.292 -0.762 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.699 0.195 -6.388 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.568 2.942 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.213 2.369 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.168 2.962 -3.955 1.00 0.00 H new ATOM 1419 N GLU B 41 -7.168 -1.578 -0.584 1.00 0.00 N ATOM 1420 CA GLU B 41 -7.787 -1.683 0.770 1.00 0.00 C ATOM 1421 C GLU B 41 -6.701 -1.648 1.849 1.00 0.00 C ATOM 1422 O GLU B 41 -6.935 -1.995 2.990 1.00 0.00 O ATOM 1423 CB GLU B 41 -8.505 -3.032 0.776 1.00 0.00 C ATOM 1424 CG GLU B 41 -9.891 -2.877 0.150 1.00 0.00 C ATOM 1425 CD GLU B 41 -10.935 -2.700 1.256 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -10.841 -1.722 1.980 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -11.809 -3.545 1.360 1.00 0.00 O ATOM 0 H GLU B 41 -6.662 -2.407 -0.896 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.470 -0.859 0.977 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.924 -3.767 0.220 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -8.595 -3.403 1.797 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -9.905 -2.017 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -10.129 -3.753 -0.453 1.00 0.00 H new ATOM 1434 N PHE B 42 -5.509 -1.248 1.494 1.00 0.00 N ATOM 1435 CA PHE B 42 -4.401 -1.203 2.470 1.00 0.00 C ATOM 1436 C PHE B 42 -4.475 -0.010 3.431 1.00 0.00 C ATOM 1437 O PHE B 42 -3.463 0.414 3.954 1.00 0.00 O ATOM 1438 CB PHE B 42 -3.131 -1.144 1.620 1.00 0.00 C ATOM 1439 CG PHE B 42 -2.928 0.225 0.988 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -4.004 1.135 0.812 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -1.635 0.585 0.563 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -3.775 2.393 0.216 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -1.406 1.845 -0.033 1.00 0.00 C ATOM 1444 CZ PHE B 42 -2.476 2.749 -0.206 1.00 0.00 C ATOM 0 H PHE B 42 -5.260 -0.947 0.552 1.00 0.00 H new ATOM 0 HA PHE B 42 -4.437 -2.074 3.124 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -2.269 -1.388 2.240 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.184 -1.900 0.837 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -4.998 0.864 1.135 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -0.815 -0.105 0.693 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -4.594 3.084 0.083 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -0.412 2.117 -0.356 1.00 0.00 H new ATOM 0 HZ PHE B 42 -2.301 3.713 -0.661 1.00 0.00 H new ATOM 1454 N GLU B 43 -5.639 0.519 3.718 1.00 0.00 N ATOM 1455 CA GLU B 43 -5.696 1.643 4.694 1.00 0.00 C ATOM 1456 C GLU B 43 -5.043 1.159 5.989 1.00 0.00 C ATOM 1457 O GLU B 43 -3.952 1.561 6.339 1.00 0.00 O ATOM 1458 CB GLU B 43 -7.185 1.928 4.901 1.00 0.00 C ATOM 1459 CG GLU B 43 -7.357 2.940 6.034 1.00 0.00 C ATOM 1460 CD GLU B 43 -8.829 2.998 6.448 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -9.587 3.678 5.776 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -9.173 2.362 7.431 1.00 0.00 O ATOM 0 H GLU B 43 -6.534 0.226 3.326 1.00 0.00 H new ATOM 0 HA GLU B 43 -5.179 2.543 4.361 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -7.623 2.317 3.982 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -7.713 1.005 5.140 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -6.740 2.656 6.886 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.020 3.925 5.710 1.00 0.00 H new ATOM 1469 N GLU B 44 -5.690 0.256 6.670 1.00 0.00 N ATOM 1470 CA GLU B 44 -5.098 -0.311 7.911 1.00 0.00 C ATOM 1471 C GLU B 44 -4.108 -1.427 7.543 1.00 0.00 C ATOM 1472 O GLU B 44 -3.255 -1.797 8.325 1.00 0.00 O ATOM 1473 CB GLU B 44 -6.282 -0.874 8.701 1.00 0.00 C ATOM 1474 CG GLU B 44 -7.011 -1.922 7.858 1.00 0.00 C ATOM 1475 CD GLU B 44 -7.629 -2.977 8.777 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -8.624 -2.671 9.413 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.098 -4.074 8.828 1.00 0.00 O ATOM 0 H GLU B 44 -6.607 -0.115 6.419 1.00 0.00 H new ATOM 0 HA GLU B 44 -4.549 0.431 8.491 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -5.932 -1.321 9.631 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -6.967 -0.070 8.972 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -7.788 -1.446 7.259 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -6.316 -2.392 7.163 1.00 0.00 H new ATOM 1484 N ALA B 45 -4.225 -1.974 6.354 1.00 0.00 N ATOM 1485 CA ALA B 45 -3.305 -3.076 5.933 1.00 0.00 C ATOM 1486 C ALA B 45 -1.898 -2.537 5.649 1.00 0.00 C ATOM 1487 O ALA B 45 -0.914 -3.080 6.108 1.00 0.00 O ATOM 1488 CB ALA B 45 -3.929 -3.647 4.652 1.00 0.00 C ATOM 0 H ALA B 45 -4.919 -1.703 5.658 1.00 0.00 H new ATOM 0 HA ALA B 45 -3.196 -3.831 6.711 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -3.311 -4.463 4.279 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.930 -4.020 4.870 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -3.990 -2.864 3.897 1.00 0.00 H new ATOM 1494 N ALA B 46 -1.792 -1.481 4.887 1.00 0.00 N ATOM 1495 CA ALA B 46 -0.443 -0.922 4.573 1.00 0.00 C ATOM 1496 C ALA B 46 0.344 -0.670 5.859 1.00 0.00 C ATOM 1497 O ALA B 46 1.550 -0.815 5.895 1.00 0.00 O ATOM 1498 CB ALA B 46 -0.714 0.395 3.846 1.00 0.00 C ATOM 0 H ALA B 46 -2.578 -0.982 4.469 1.00 0.00 H new ATOM 0 HA ALA B 46 0.151 -1.607 3.968 1.00 0.00 H new ATOM 0 HB1 ALA B 46 0.233 0.866 3.582 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -1.287 0.199 2.940 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -1.281 1.060 4.497 1.00 0.00 H new ATOM 1504 N GLN B 47 -0.323 -0.294 6.914 1.00 0.00 N ATOM 1505 CA GLN B 47 0.399 -0.036 8.191 1.00 0.00 C ATOM 1506 C GLN B 47 1.245 -1.252 8.571 1.00 0.00 C ATOM 1507 O GLN B 47 2.271 -1.129 9.210 1.00 0.00 O ATOM 1508 CB GLN B 47 -0.696 0.205 9.226 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.951 1.709 9.353 1.00 0.00 C ATOM 1510 CD GLN B 47 -1.783 2.193 8.166 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -1.236 2.255 6.982 1.00 0.00 O flip ATOM 1512 NE2 GLN B 47 -2.943 2.522 8.317 1.00 0.00 N flip ATOM 0 H GLN B 47 -1.333 -0.155 6.948 1.00 0.00 H new ATOM 0 HA GLN B 47 1.079 0.813 8.118 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -1.612 -0.307 8.929 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -0.398 -0.208 10.190 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -1.473 1.921 10.286 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -0.003 2.246 9.388 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -3.371 2.474 9.242 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -3.489 2.846 7.519 1.00 0.00 H new ATOM 1521 N ILE B 48 0.833 -2.428 8.173 1.00 0.00 N ATOM 1522 CA ILE B 48 1.629 -3.646 8.504 1.00 0.00 C ATOM 1523 C ILE B 48 3.079 -3.438 8.066 1.00 0.00 C ATOM 1524 O ILE B 48 4.001 -3.953 8.666 1.00 0.00 O ATOM 1525 CB ILE B 48 0.976 -4.779 7.709 1.00 0.00 C ATOM 1526 CG1 ILE B 48 -0.433 -5.032 8.250 1.00 0.00 C ATOM 1527 CG2 ILE B 48 1.811 -6.055 7.848 1.00 0.00 C ATOM 1528 CD1 ILE B 48 -0.349 -5.448 9.721 1.00 0.00 C ATOM 0 H ILE B 48 -0.017 -2.597 7.635 1.00 0.00 H new ATOM 0 HA ILE B 48 1.641 -3.866 9.571 1.00 0.00 H new ATOM 0 HB ILE B 48 0.920 -4.497 6.658 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -1.039 -4.132 8.150 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -0.923 -5.813 7.668 1.00 0.00 H new ATOM 0 HG21 ILE B 48 1.343 -6.860 7.281 1.00 0.00 H new ATOM 0 HG22 ILE B 48 2.815 -5.876 7.464 1.00 0.00 H new ATOM 0 HG23 ILE B 48 1.870 -6.339 8.899 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -1.353 -5.628 10.106 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.242 -6.360 9.808 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.124 -4.653 10.298 1.00 0.00 H new ATOM 1540 N ARG B 49 3.285 -2.662 7.037 1.00 0.00 N ATOM 1541 CA ARG B 49 4.673 -2.391 6.573 1.00 0.00 C ATOM 1542 C ARG B 49 5.496 -1.866 7.755 1.00 0.00 C ATOM 1543 O ARG B 49 6.699 -2.023 7.811 1.00 0.00 O ATOM 1544 CB ARG B 49 4.512 -1.330 5.474 1.00 0.00 C ATOM 1545 CG ARG B 49 5.856 -0.654 5.173 1.00 0.00 C ATOM 1546 CD ARG B 49 5.760 0.840 5.500 1.00 0.00 C ATOM 1547 NE ARG B 49 5.358 0.903 6.935 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.094 1.558 7.790 1.00 0.00 C ATOM 1549 NH1 ARG B 49 7.342 1.222 7.969 1.00 0.00 N ATOM 1550 NH2 ARG B 49 5.582 2.550 8.465 1.00 0.00 N ATOM 0 H ARG B 49 2.550 -2.204 6.498 1.00 0.00 H new ATOM 0 HA ARG B 49 5.191 -3.272 6.193 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.121 -1.794 4.568 1.00 0.00 H new ATOM 0 HB3 ARG B 49 3.785 -0.581 5.788 1.00 0.00 H new ATOM 0 HG2 ARG B 49 6.648 -1.116 5.762 1.00 0.00 H new ATOM 0 HG3 ARG B 49 6.118 -0.792 4.124 1.00 0.00 H new ATOM 0 HD2 ARG B 49 6.714 1.341 5.336 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.027 1.336 4.864 1.00 0.00 H new ATOM 0 HE ARG B 49 4.508 0.434 7.248 1.00 0.00 H new ATOM 0 HH11 ARG B 49 7.742 0.447 7.440 1.00 0.00 H new ATOM 0 HH12 ARG B 49 7.917 1.734 8.638 1.00 0.00 H new ATOM 0 HH21 ARG B 49 4.607 2.813 8.324 1.00 0.00 H new ATOM 0 HH22 ARG B 49 6.157 3.062 9.134 1.00 0.00 H new ATOM 1564 N ASP B 50 4.844 -1.256 8.707 1.00 0.00 N ATOM 1565 CA ASP B 50 5.574 -0.733 9.893 1.00 0.00 C ATOM 1566 C ASP B 50 6.094 -1.906 10.725 1.00 0.00 C ATOM 1567 O ASP B 50 7.169 -1.855 11.289 1.00 0.00 O ATOM 1568 CB ASP B 50 4.537 0.068 10.680 1.00 0.00 C ATOM 1569 CG ASP B 50 5.185 1.337 11.239 1.00 0.00 C ATOM 1570 OD1 ASP B 50 6.378 1.306 11.491 1.00 0.00 O ATOM 1571 OD2 ASP B 50 4.477 2.316 11.405 1.00 0.00 O ATOM 0 H ASP B 50 3.836 -1.098 8.713 1.00 0.00 H new ATOM 0 HA ASP B 50 6.432 -0.118 9.622 1.00 0.00 H new ATOM 0 HB2 ASP B 50 3.698 0.330 10.035 1.00 0.00 H new ATOM 0 HB3 ASP B 50 4.136 -0.537 11.494 1.00 0.00 H new ATOM 1576 N GLN B 51 5.338 -2.970 10.798 1.00 0.00 N ATOM 1577 CA GLN B 51 5.792 -4.152 11.585 1.00 0.00 C ATOM 1578 C GLN B 51 6.811 -4.955 10.773 1.00 0.00 C ATOM 1579 O GLN B 51 7.754 -5.505 11.309 1.00 0.00 O ATOM 1580 CB GLN B 51 4.529 -4.982 11.826 1.00 0.00 C ATOM 1581 CG GLN B 51 3.451 -4.106 12.469 1.00 0.00 C ATOM 1582 CD GLN B 51 2.139 -4.889 12.551 1.00 0.00 C ATOM 1583 OE1 GLN B 51 2.174 -6.184 12.713 1.00 0.00 O flip ATOM 1584 NE2 GLN B 51 1.071 -4.317 12.468 1.00 0.00 N flip ATOM 0 H GLN B 51 4.428 -3.071 10.348 1.00 0.00 H new ATOM 0 HA GLN B 51 6.274 -3.867 12.520 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.165 -5.390 10.883 1.00 0.00 H new ATOM 0 HB3 GLN B 51 4.757 -5.829 12.473 1.00 0.00 H new ATOM 0 HG2 GLN B 51 3.765 -3.797 13.466 1.00 0.00 H new ATOM 0 HG3 GLN B 51 3.309 -3.198 11.884 1.00 0.00 H new ATOM 0 HE21 GLN B 51 1.043 -3.305 12.341 1.00 0.00 H new ATOM 0 HE22 GLN B 51 0.202 -4.848 12.525 1.00 0.00 H new ATOM 1593 N LEU B 52 6.628 -5.024 9.483 1.00 0.00 N ATOM 1594 CA LEU B 52 7.583 -5.788 8.630 1.00 0.00 C ATOM 1595 C LEU B 52 9.002 -5.239 8.803 1.00 0.00 C ATOM 1596 O LEU B 52 9.976 -5.937 8.607 1.00 0.00 O ATOM 1597 CB LEU B 52 7.093 -5.566 7.197 1.00 0.00 C ATOM 1598 CG LEU B 52 6.471 -6.856 6.656 1.00 0.00 C ATOM 1599 CD1 LEU B 52 7.534 -7.955 6.603 1.00 0.00 C ATOM 1600 CD2 LEU B 52 5.326 -7.297 7.572 1.00 0.00 C ATOM 0 H LEU B 52 5.857 -4.583 8.981 1.00 0.00 H new ATOM 0 HA LEU B 52 7.618 -6.846 8.891 1.00 0.00 H new ATOM 0 HB2 LEU B 52 6.359 -4.760 7.175 1.00 0.00 H new ATOM 0 HB3 LEU B 52 7.924 -5.258 6.562 1.00 0.00 H new ATOM 0 HG LEU B 52 6.084 -6.677 5.653 1.00 0.00 H new ATOM 0 HD11 LEU B 52 7.090 -8.873 6.218 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.348 -7.643 5.948 1.00 0.00 H new ATOM 0 HD13 LEU B 52 7.923 -8.133 7.605 1.00 0.00 H new ATOM 0 HD21 LEU B 52 4.884 -8.215 7.186 1.00 0.00 H new ATOM 0 HD22 LEU B 52 5.711 -7.474 8.576 1.00 0.00 H new ATOM 0 HD23 LEU B 52 4.567 -6.516 7.607 1.00 0.00 H new ATOM 1612 N HIS B 53 9.124 -3.992 9.167 1.00 0.00 N ATOM 1613 CA HIS B 53 10.479 -3.397 9.352 1.00 0.00 C ATOM 1614 C HIS B 53 11.091 -3.871 10.673 1.00 0.00 C ATOM 1615 O HIS B 53 12.243 -4.254 10.733 1.00 0.00 O ATOM 1616 CB HIS B 53 10.248 -1.886 9.380 1.00 0.00 C ATOM 1617 CG HIS B 53 10.419 -1.327 7.996 1.00 0.00 C ATOM 1618 ND1 HIS B 53 11.272 -0.268 7.726 1.00 0.00 N ATOM 1619 CD2 HIS B 53 9.851 -1.666 6.791 1.00 0.00 C ATOM 1620 CE1 HIS B 53 11.195 -0.011 6.407 1.00 0.00 C ATOM 1621 NE2 HIS B 53 10.344 -0.834 5.790 1.00 0.00 N ATOM 0 H HIS B 53 8.344 -3.359 9.344 1.00 0.00 H new ATOM 0 HA HIS B 53 11.169 -3.690 8.560 1.00 0.00 H new ATOM 0 HB2 HIS B 53 9.247 -1.667 9.751 1.00 0.00 H new ATOM 0 HB3 HIS B 53 10.952 -1.412 10.064 1.00 0.00 H new ATOM 0 HD2 HIS B 53 9.131 -2.458 6.643 1.00 0.00 H new ATOM 0 HE1 HIS B 53 11.754 0.767 5.908 1.00 0.00 H new ATOM 0 HE2 HIS B 53 10.106 -0.850 4.798 1.00 0.00 H new ATOM 1629 N GLN B 54 10.331 -3.847 11.733 1.00 0.00 N ATOM 1630 CA GLN B 54 10.870 -4.296 13.049 1.00 0.00 C ATOM 1631 C GLN B 54 11.246 -5.779 12.991 1.00 0.00 C ATOM 1632 O GLN B 54 12.252 -6.196 13.529 1.00 0.00 O ATOM 1633 CB GLN B 54 9.730 -4.069 14.042 1.00 0.00 C ATOM 1634 CG GLN B 54 10.170 -4.523 15.436 1.00 0.00 C ATOM 1635 CD GLN B 54 9.612 -3.560 16.486 1.00 0.00 C ATOM 1636 OE1 GLN B 54 9.928 -2.387 16.480 1.00 0.00 O ATOM 1637 NE2 GLN B 54 8.789 -4.009 17.393 1.00 0.00 N ATOM 0 H GLN B 54 9.360 -3.536 11.745 1.00 0.00 H new ATOM 0 HA GLN B 54 11.772 -3.753 13.332 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.455 -3.015 14.061 1.00 0.00 H new ATOM 0 HB3 GLN B 54 8.845 -4.624 13.730 1.00 0.00 H new ATOM 0 HG2 GLN B 54 9.814 -5.535 15.630 1.00 0.00 H new ATOM 0 HG3 GLN B 54 11.258 -4.551 15.494 1.00 0.00 H new ATOM 0 HE21 GLN B 54 8.524 -4.994 17.398 1.00 0.00 H new ATOM 0 HE22 GLN B 54 8.411 -3.375 18.097 1.00 0.00 H new ATOM 1646 N LEU B 55 10.445 -6.578 12.341 1.00 0.00 N ATOM 1647 CA LEU B 55 10.756 -8.034 12.249 1.00 0.00 C ATOM 1648 C LEU B 55 12.149 -8.240 11.646 1.00 0.00 C ATOM 1649 O LEU B 55 12.823 -9.209 11.933 1.00 0.00 O ATOM 1650 CB LEU B 55 9.680 -8.610 11.329 1.00 0.00 C ATOM 1651 CG LEU B 55 8.424 -8.926 12.148 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.242 -8.116 11.612 1.00 0.00 C ATOM 1653 CD2 LEU B 55 8.108 -10.419 12.039 1.00 0.00 C ATOM 0 H LEU B 55 9.589 -6.286 11.870 1.00 0.00 H new ATOM 0 HA LEU B 55 10.759 -8.520 13.225 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.442 -7.898 10.539 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.047 -9.514 10.843 1.00 0.00 H new ATOM 0 HG LEU B 55 8.598 -8.664 13.192 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.350 -8.343 12.197 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.465 -7.052 11.689 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.067 -8.375 10.568 1.00 0.00 H new ATOM 0 HD21 LEU B 55 7.215 -10.645 12.621 1.00 0.00 H new ATOM 0 HD22 LEU B 55 7.936 -10.679 10.995 1.00 0.00 H new ATOM 0 HD23 LEU B 55 8.948 -10.998 12.424 1.00 0.00 H new ATOM 1665 N ARG B 56 12.585 -7.335 10.812 1.00 0.00 N ATOM 1666 CA ARG B 56 13.935 -7.477 10.193 1.00 0.00 C ATOM 1667 C ARG B 56 14.998 -7.652 11.281 1.00 0.00 C ATOM 1668 O ARG B 56 15.861 -8.501 11.190 1.00 0.00 O ATOM 1669 CB ARG B 56 14.155 -6.170 9.429 1.00 0.00 C ATOM 1670 CG ARG B 56 15.564 -6.153 8.830 1.00 0.00 C ATOM 1671 CD ARG B 56 16.214 -4.793 9.093 1.00 0.00 C ATOM 1672 NE ARG B 56 17.070 -4.540 7.901 1.00 0.00 N ATOM 1673 CZ ARG B 56 17.752 -3.430 7.813 1.00 0.00 C ATOM 1674 NH1 ARG B 56 18.555 -3.078 8.778 1.00 0.00 N ATOM 1675 NH2 ARG B 56 17.630 -2.673 6.757 1.00 0.00 N ATOM 0 H ARG B 56 12.065 -6.503 10.532 1.00 0.00 H new ATOM 0 HA ARG B 56 14.005 -8.347 9.541 1.00 0.00 H new ATOM 0 HB2 ARG B 56 13.412 -6.071 8.638 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.024 -5.320 10.098 1.00 0.00 H new ATOM 0 HG2 ARG B 56 16.167 -6.947 9.270 1.00 0.00 H new ATOM 0 HG3 ARG B 56 15.517 -6.344 7.758 1.00 0.00 H new ATOM 0 HD2 ARG B 56 15.463 -4.013 9.212 1.00 0.00 H new ATOM 0 HD3 ARG B 56 16.806 -4.808 10.008 1.00 0.00 H new ATOM 0 HE ARG B 56 17.123 -5.233 7.154 1.00 0.00 H new ATOM 0 HH11 ARG B 56 18.651 -3.670 9.603 1.00 0.00 H new ATOM 0 HH12 ARG B 56 19.087 -2.211 8.708 1.00 0.00 H new ATOM 0 HH21 ARG B 56 17.002 -2.949 6.002 1.00 0.00 H new ATOM 0 HH22 ARG B 56 18.162 -1.806 6.687 1.00 0.00 H new ATOM 1689 N GLU B 57 14.941 -6.852 12.309 1.00 0.00 N ATOM 1690 CA GLU B 57 15.945 -6.964 13.408 1.00 0.00 C ATOM 1691 C GLU B 57 16.033 -8.414 13.898 1.00 0.00 C ATOM 1692 O GLU B 57 17.069 -9.046 13.823 1.00 0.00 O ATOM 1693 CB GLU B 57 15.403 -6.051 14.512 1.00 0.00 C ATOM 1694 CG GLU B 57 16.207 -6.249 15.800 1.00 0.00 C ATOM 1695 CD GLU B 57 15.593 -7.388 16.617 1.00 0.00 C ATOM 1696 OE1 GLU B 57 14.531 -7.180 17.181 1.00 0.00 O ATOM 1697 OE2 GLU B 57 16.195 -8.448 16.663 1.00 0.00 O ATOM 0 H GLU B 57 14.240 -6.122 12.437 1.00 0.00 H new ATOM 0 HA GLU B 57 16.949 -6.679 13.093 1.00 0.00 H new ATOM 0 HB2 GLU B 57 15.461 -5.010 14.195 1.00 0.00 H new ATOM 0 HB3 GLU B 57 14.351 -6.271 14.693 1.00 0.00 H new ATOM 0 HG2 GLU B 57 17.246 -6.478 15.561 1.00 0.00 H new ATOM 0 HG3 GLU B 57 16.210 -5.329 16.384 1.00 0.00 H new ATOM 1704 N LEU B 58 14.952 -8.934 14.407 1.00 0.00 N ATOM 1705 CA LEU B 58 14.950 -10.341 14.920 1.00 0.00 C ATOM 1706 C LEU B 58 15.639 -11.295 13.935 1.00 0.00 C ATOM 1707 O LEU B 58 16.145 -12.331 14.319 1.00 0.00 O ATOM 1708 CB LEU B 58 13.472 -10.701 15.066 1.00 0.00 C ATOM 1709 CG LEU B 58 12.935 -10.135 16.381 1.00 0.00 C ATOM 1710 CD1 LEU B 58 11.507 -9.626 16.173 1.00 0.00 C ATOM 1711 CD2 LEU B 58 12.933 -11.234 17.446 1.00 0.00 C ATOM 0 H LEU B 58 14.061 -8.445 14.492 1.00 0.00 H new ATOM 0 HA LEU B 58 15.496 -10.428 15.859 1.00 0.00 H new ATOM 0 HB2 LEU B 58 12.905 -10.299 14.227 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.347 -11.784 15.046 1.00 0.00 H new ATOM 0 HG LEU B 58 13.570 -9.312 16.708 1.00 0.00 H new ATOM 0 HD11 LEU B 58 11.124 -9.223 17.111 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.507 -8.843 15.414 1.00 0.00 H new ATOM 0 HD13 LEU B 58 10.871 -10.449 15.846 1.00 0.00 H new ATOM 0 HD21 LEU B 58 12.550 -10.831 18.384 1.00 0.00 H new ATOM 0 HD22 LEU B 58 12.298 -12.057 17.118 1.00 0.00 H new ATOM 0 HD23 LEU B 58 13.950 -11.598 17.595 1.00 0.00 H new ATOM 1723 N PHE B 59 15.663 -10.963 12.671 1.00 0.00 N ATOM 1724 CA PHE B 59 16.319 -11.863 11.673 1.00 0.00 C ATOM 1725 C PHE B 59 17.714 -12.276 12.155 1.00 0.00 C ATOM 1726 O PHE B 59 18.073 -13.436 12.127 1.00 0.00 O ATOM 1727 CB PHE B 59 16.424 -11.032 10.394 1.00 0.00 C ATOM 1728 CG PHE B 59 16.987 -11.888 9.284 1.00 0.00 C ATOM 1729 CD1 PHE B 59 18.374 -12.147 9.228 1.00 0.00 C ATOM 1730 CD2 PHE B 59 16.126 -12.428 8.302 1.00 0.00 C ATOM 1731 CE1 PHE B 59 18.902 -12.948 8.190 1.00 0.00 C ATOM 1732 CE2 PHE B 59 16.654 -13.230 7.264 1.00 0.00 C ATOM 1733 CZ PHE B 59 18.042 -13.489 7.208 1.00 0.00 C ATOM 0 H PHE B 59 15.258 -10.110 12.286 1.00 0.00 H new ATOM 0 HA PHE B 59 15.752 -12.782 11.521 1.00 0.00 H new ATOM 0 HB2 PHE B 59 15.442 -10.652 10.113 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.065 -10.166 10.561 1.00 0.00 H new ATOM 0 HD1 PHE B 59 19.031 -11.733 9.978 1.00 0.00 H new ATOM 0 HD2 PHE B 59 15.065 -12.228 8.344 1.00 0.00 H new ATOM 0 HE1 PHE B 59 19.963 -13.147 8.147 1.00 0.00 H new ATOM 0 HE2 PHE B 59 15.997 -13.645 6.514 1.00 0.00 H new ATOM 0 HZ PHE B 59 18.446 -14.101 6.415 1.00 0.00 H new ATOM 1743 N ILE B 60 18.504 -11.335 12.594 1.00 0.00 N ATOM 1744 CA ILE B 60 19.874 -11.676 13.076 1.00 0.00 C ATOM 1745 C ILE B 60 19.790 -12.585 14.303 1.00 0.00 C ATOM 1746 O ILE B 60 20.533 -13.538 14.434 1.00 0.00 O ATOM 1747 CB ILE B 60 20.510 -10.335 13.443 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.613 -9.460 12.191 1.00 0.00 C ATOM 1749 CG2 ILE B 60 21.910 -10.573 14.013 1.00 0.00 C ATOM 1750 CD1 ILE B 60 20.478 -7.988 12.584 1.00 0.00 C ATOM 0 H ILE B 60 18.261 -10.345 12.640 1.00 0.00 H new ATOM 0 HA ILE B 60 20.456 -12.210 12.325 1.00 0.00 H new ATOM 0 HB ILE B 60 19.894 -9.833 14.189 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.569 -9.629 11.694 1.00 0.00 H new ATOM 0 HG13 ILE B 60 19.832 -9.731 11.480 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.364 -9.617 14.275 1.00 0.00 H new ATOM 0 HG22 ILE B 60 21.839 -11.197 14.904 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.526 -11.075 13.267 1.00 0.00 H new ATOM 0 HD11 ILE B 60 20.551 -7.365 11.692 1.00 0.00 H new ATOM 0 HD12 ILE B 60 19.512 -7.826 13.061 1.00 0.00 H new ATOM 0 HD13 ILE B 60 21.275 -7.722 13.279 1.00 0.00 H new ATOM 1762 N ALA B 61 18.889 -12.301 15.204 1.00 0.00 N ATOM 1763 CA ALA B 61 18.758 -13.153 16.421 1.00 0.00 C ATOM 1764 C ALA B 61 18.483 -14.605 16.022 1.00 0.00 C ATOM 1765 O ALA B 61 18.702 -15.521 16.791 1.00 0.00 O ATOM 1766 CB ALA B 61 17.567 -12.571 17.183 1.00 0.00 C ATOM 0 H ALA B 61 18.239 -11.517 15.150 1.00 0.00 H new ATOM 0 HA ALA B 61 19.666 -13.157 17.024 1.00 0.00 H new ATOM 0 HB1 ALA B 61 17.404 -13.144 18.096 1.00 0.00 H new ATOM 0 HB2 ALA B 61 17.772 -11.532 17.439 1.00 0.00 H new ATOM 0 HB3 ALA B 61 16.675 -12.622 16.558 1.00 0.00 H new ATOM 1772 N ALA B 62 18.006 -14.825 14.827 1.00 0.00 N ATOM 1773 CA ALA B 62 17.719 -16.219 14.384 1.00 0.00 C ATOM 1774 C ALA B 62 18.816 -16.708 13.433 1.00 0.00 C ATOM 1775 O ALA B 62 19.542 -17.635 13.733 1.00 0.00 O ATOM 1776 CB ALA B 62 16.378 -16.136 13.656 1.00 0.00 C ATOM 0 H ALA B 62 17.803 -14.100 14.139 1.00 0.00 H new ATOM 0 HA ALA B 62 17.687 -16.919 15.219 1.00 0.00 H new ATOM 0 HB1 ALA B 62 16.096 -17.126 13.298 1.00 0.00 H new ATOM 0 HB2 ALA B 62 15.614 -15.767 14.341 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.465 -15.455 12.809 1.00 0.00 H new ATOM 1782 N SER B 63 18.940 -16.093 12.289 1.00 0.00 N ATOM 1783 CA SER B 63 19.990 -16.525 11.321 1.00 0.00 C ATOM 1784 C SER B 63 21.377 -16.138 11.838 1.00 0.00 C ATOM 1785 O SER B 63 22.220 -17.016 11.928 1.00 0.00 O ATOM 1786 CB SER B 63 19.670 -15.773 10.030 1.00 0.00 C ATOM 1787 OG SER B 63 20.239 -16.468 8.929 1.00 0.00 O ATOM 1788 OXT SER B 63 21.573 -14.972 12.136 1.00 0.00 O ATOM 0 H SER B 63 18.361 -15.311 11.982 1.00 0.00 H new ATOM 0 HA SER B 63 19.997 -17.605 11.173 1.00 0.00 H new ATOM 0 HB2 SER B 63 18.591 -15.688 9.903 1.00 0.00 H new ATOM 0 HB3 SER B 63 20.066 -14.759 10.079 1.00 0.00 H new ATOM 0 HG SER B 63 20.034 -15.989 8.099 1.00 0.00 H new