USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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: A 16 LYS NZ :NH3+ 179:sc= 1.15! (180deg=1.03!) USER MOD Set 1.2: A 90 TYR OH : rot 88:sc= -1.18 USER MOD Single : A 10 LYS NZ :NH3+ -130:sc= -0.739 (180deg=-2.08!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00766) USER MOD Single : A 17 GLN :FLIP amide:sc= -2.96! C(o=-3.5!,f=-3!) USER MOD Single : A 23 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.023) USER MOD Single : A 25 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.39) USER MOD Single : A 26 GLN : amide:sc= -8.55! C(o=-8.5!,f=-9.2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.4!) USER MOD Single : A 37 TYR OH : rot 15:sc= -1.46 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.423 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0704 K(o=-0.07,f=-2.3!) USER MOD Single : A 50 CYS SG : rot 9:sc= 0.562 USER MOD Single : A 51 MET CE :methyl 161:sc= -3.59 (180deg=-4.5!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 93:sc= -2.24! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= -4.26! (180deg=-5.02!) USER MOD Single : A 89 SER OG : rot -31:sc= 0.127 USER MOD Single : A 93 MET CE :methyl -167:sc= -7.27! (180deg=-7.44!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.24) USER MOD Single : A 100 MET CE :methyl -115:sc= -0.669 (180deg=-1.67!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.558 8.462 9.016 1.00 0.00 N ATOM 81 CA ILE A 9 -7.871 7.859 8.860 1.00 0.00 C ATOM 82 C ILE A 9 -7.782 6.365 9.175 1.00 0.00 C ATOM 83 O ILE A 9 -8.402 5.889 10.125 1.00 0.00 O ATOM 84 CB ILE A 9 -8.438 8.162 7.472 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.889 9.621 7.370 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.563 7.189 7.115 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.460 10.236 6.037 1.00 0.00 C ATOM 0 HA ILE A 9 -8.576 8.293 9.569 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.643 8.018 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.973 9.678 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.464 10.195 8.193 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.948 7.426 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.177 6.169 7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.366 7.277 7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.793 11.273 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.374 10.200 5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.907 9.674 5.217 1.00 0.00 H new ATOM 99 N LYS A 10 -7.006 5.666 8.360 1.00 0.00 N ATOM 100 CA LYS A 10 -6.828 4.235 8.540 1.00 0.00 C ATOM 101 C LYS A 10 -5.334 3.921 8.650 1.00 0.00 C ATOM 102 O LYS A 10 -4.517 4.520 7.953 1.00 0.00 O ATOM 103 CB LYS A 10 -7.538 3.463 7.426 1.00 0.00 C ATOM 104 CG LYS A 10 -7.216 1.969 7.504 1.00 0.00 C ATOM 105 CD LYS A 10 -8.497 1.133 7.540 1.00 0.00 C ATOM 106 CE LYS A 10 -8.195 -0.318 7.920 1.00 0.00 C ATOM 107 NZ LYS A 10 -8.953 -0.706 9.131 1.00 0.00 N ATOM 0 H LYS A 10 -6.493 6.064 7.573 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.292 3.907 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.615 3.611 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.233 3.854 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.612 1.678 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.621 1.768 8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.196 1.563 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.983 1.164 6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.456 -0.978 7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.126 -0.438 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.307 -1.142 9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.390 0.138 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.695 -1.388 8.873 1.00 0.00 H new ATOM 121 N MET A 11 -5.023 2.982 9.532 1.00 0.00 N ATOM 122 CA MET A 11 -3.642 2.582 9.742 1.00 0.00 C ATOM 123 C MET A 11 -3.533 1.067 9.927 1.00 0.00 C ATOM 124 O MET A 11 -4.390 0.451 10.559 1.00 0.00 O ATOM 125 CB MET A 11 -3.089 3.288 10.982 1.00 0.00 C ATOM 126 CG MET A 11 -3.075 4.806 10.787 1.00 0.00 C ATOM 127 SD MET A 11 -3.103 5.625 12.373 1.00 0.00 S ATOM 128 CE MET A 11 -4.862 5.664 12.671 1.00 0.00 C ATOM 0 H MET A 11 -5.703 2.487 10.109 1.00 0.00 H new ATOM 0 HA MET A 11 -3.063 2.865 8.863 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.697 3.035 11.851 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.078 2.934 11.186 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.185 5.101 10.231 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.937 5.113 10.195 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.058 6.147 13.628 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.354 6.223 11.875 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.250 4.646 12.692 1.00 0.00 H new ATOM 138 N GLY A 12 -2.471 0.510 9.364 1.00 0.00 N ATOM 139 CA GLY A 12 -2.239 -0.922 9.458 1.00 0.00 C ATOM 140 C GLY A 12 -0.935 -1.313 8.758 1.00 0.00 C ATOM 141 O GLY A 12 -0.297 -0.479 8.117 1.00 0.00 O ATOM 0 H GLY A 12 -1.762 1.024 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.197 -1.219 10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.073 -1.460 9.007 1.00 0.00 H new ATOM 145 N TRP A 13 -0.580 -2.580 8.905 1.00 0.00 N ATOM 146 CA TRP A 13 0.636 -3.092 8.295 1.00 0.00 C ATOM 147 C TRP A 13 0.249 -3.811 7.001 1.00 0.00 C ATOM 148 O TRP A 13 -0.474 -4.806 7.032 1.00 0.00 O ATOM 149 CB TRP A 13 1.404 -3.987 9.269 1.00 0.00 C ATOM 150 CG TRP A 13 2.341 -3.224 10.208 1.00 0.00 C ATOM 151 CD1 TRP A 13 2.047 -2.189 11.005 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.746 -3.482 10.416 1.00 0.00 C ATOM 153 NE1 TRP A 13 3.154 -1.761 11.709 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.220 -2.573 11.339 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.588 -4.451 9.842 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.552 -2.542 11.771 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.916 -4.407 10.284 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.409 -3.498 11.213 1.00 0.00 C ATOM 0 H TRP A 13 -1.113 -3.268 9.437 1.00 0.00 H new ATOM 0 HA TRP A 13 1.317 -2.277 8.051 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.690 -4.553 9.866 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.987 -4.710 8.699 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.066 -1.745 11.087 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.184 -0.991 12.377 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.238 -5.172 9.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.899 -1.820 12.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.606 -5.130 9.874 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.449 -3.529 11.503 1.00 0.00 H new ATOM 169 N LEU A 14 0.747 -3.279 5.894 1.00 0.00 N ATOM 170 CA LEU A 14 0.463 -3.858 4.592 1.00 0.00 C ATOM 171 C LEU A 14 1.769 -4.339 3.956 1.00 0.00 C ATOM 172 O LEU A 14 2.834 -3.785 4.224 1.00 0.00 O ATOM 173 CB LEU A 14 -0.316 -2.868 3.724 1.00 0.00 C ATOM 174 CG LEU A 14 -1.817 -2.766 4.004 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.404 -1.493 3.392 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.549 -4.022 3.526 1.00 0.00 C ATOM 0 H LEU A 14 1.345 -2.453 5.872 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.181 -4.731 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.125 -1.879 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.180 -3.146 2.679 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.960 -2.700 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.472 -1.445 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.909 -0.622 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.250 -1.504 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.614 -3.925 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.401 -4.143 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.154 -4.894 4.048 1.00 0.00 H new ATOM 188 N LYS A 15 1.643 -5.364 3.126 1.00 0.00 N ATOM 189 CA LYS A 15 2.800 -5.925 2.450 1.00 0.00 C ATOM 190 C LYS A 15 2.967 -5.249 1.087 1.00 0.00 C ATOM 191 O LYS A 15 2.083 -5.334 0.236 1.00 0.00 O ATOM 192 CB LYS A 15 2.688 -7.449 2.371 1.00 0.00 C ATOM 193 CG LYS A 15 3.664 -8.122 3.337 1.00 0.00 C ATOM 194 CD LYS A 15 3.601 -9.645 3.209 1.00 0.00 C ATOM 195 CE LYS A 15 2.865 -10.266 4.397 1.00 0.00 C ATOM 196 NZ LYS A 15 1.400 -10.134 4.226 1.00 0.00 N ATOM 0 H LYS A 15 0.758 -5.820 2.906 1.00 0.00 H new ATOM 0 HA LYS A 15 3.708 -5.724 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.669 -7.755 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.893 -7.780 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.678 -7.778 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.428 -7.830 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.095 -9.915 2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.611 -10.050 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.133 -11.319 4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.175 -9.777 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.915 -10.591 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.143 -9.127 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.111 -10.592 3.338 1.00 0.00 H new ATOM 210 N LYS A 16 4.106 -4.593 0.923 1.00 0.00 N ATOM 211 CA LYS A 16 4.400 -3.903 -0.321 1.00 0.00 C ATOM 212 C LYS A 16 5.411 -4.721 -1.126 1.00 0.00 C ATOM 213 O LYS A 16 6.464 -5.094 -0.611 1.00 0.00 O ATOM 214 CB LYS A 16 4.851 -2.467 -0.044 1.00 0.00 C ATOM 215 CG LYS A 16 5.354 -1.794 -1.323 1.00 0.00 C ATOM 216 CD LYS A 16 6.057 -0.472 -1.007 1.00 0.00 C ATOM 217 CE LYS A 16 5.271 0.714 -1.568 1.00 0.00 C ATOM 218 NZ LYS A 16 4.750 1.558 -0.470 1.00 0.00 N ATOM 0 H LYS A 16 4.837 -4.525 1.631 1.00 0.00 H new ATOM 0 HA LYS A 16 3.501 -3.818 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.021 -1.895 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.642 -2.469 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.042 -2.461 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.516 -1.613 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.166 -0.363 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.062 -0.480 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.913 1.308 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.445 0.353 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.234 2.367 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.107 0.997 0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.542 1.904 0.108 1.00 0.00 H new ATOM 232 N GLN A 17 5.057 -4.975 -2.377 1.00 0.00 N ATOM 233 CA GLN A 17 5.920 -5.742 -3.259 1.00 0.00 C ATOM 234 C GLN A 17 7.270 -5.040 -3.422 1.00 0.00 C ATOM 235 O GLN A 17 7.322 -3.856 -3.750 1.00 0.00 O ATOM 236 CB GLN A 17 5.253 -5.971 -4.617 1.00 0.00 C ATOM 237 CG GLN A 17 5.912 -7.133 -5.362 1.00 0.00 C ATOM 238 CD GLN A 17 4.876 -8.187 -5.760 1.00 0.00 C ATOM 239 OE1 GLN A 17 4.044 -7.792 -6.720 1.00 0.00 O flip ATOM 240 NE2 GLN A 17 4.834 -9.285 -5.230 1.00 0.00 N flip ATOM 0 H GLN A 17 4.183 -4.663 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 17 6.092 -6.719 -2.807 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.193 -6.180 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.321 -5.064 -5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.416 -6.759 -6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.675 -7.588 -4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.503 -9.524 -4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.130 -9.964 -5.518 1.00 0.00 H new ATOM 341 N ASN A 23 9.489 -9.343 -3.613 1.00 0.00 N ATOM 342 CA ASN A 23 9.027 -10.000 -2.402 1.00 0.00 C ATOM 343 C ASN A 23 7.976 -9.122 -1.719 1.00 0.00 C ATOM 344 O ASN A 23 7.761 -7.980 -2.121 1.00 0.00 O ATOM 345 CB ASN A 23 10.178 -10.213 -1.417 1.00 0.00 C ATOM 346 CG ASN A 23 10.478 -11.702 -1.237 1.00 0.00 C ATOM 347 OD1 ASN A 23 10.585 -12.211 -0.133 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.608 -12.370 -2.380 1.00 0.00 N ATOM 0 HA ASN A 23 8.609 -10.967 -2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.069 -9.700 -1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.923 -9.771 -0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.809 -13.370 -2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.506 -11.882 -3.270 1.00 0.00 H new ATOM 355 N TRP A 24 7.350 -9.690 -0.699 1.00 0.00 N ATOM 356 CA TRP A 24 6.327 -8.973 0.044 1.00 0.00 C ATOM 357 C TRP A 24 6.957 -8.457 1.339 1.00 0.00 C ATOM 358 O TRP A 24 7.143 -9.217 2.288 1.00 0.00 O ATOM 359 CB TRP A 24 5.103 -9.858 0.285 1.00 0.00 C ATOM 360 CG TRP A 24 4.436 -10.361 -0.997 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.580 -11.555 -1.588 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.508 -9.631 -1.826 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.816 -11.647 -2.734 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.143 -10.440 -2.883 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.994 -8.329 -1.688 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.250 -10.038 -3.883 1.00 0.00 C ATOM 367 CZ3 TRP A 24 2.102 -7.943 -2.696 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.725 -8.746 -3.766 1.00 0.00 C ATOM 0 H TRP A 24 7.531 -10.638 -0.369 1.00 0.00 H new ATOM 0 HA TRP A 24 5.961 -8.120 -0.528 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.401 -10.716 0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.371 -9.298 0.867 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.214 -12.346 -1.215 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.756 -12.453 -3.357 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.266 -7.679 -0.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.981 -10.690 -4.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.677 -6.952 -2.638 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.030 -8.374 -4.504 1.00 0.00 H new ATOM 379 N GLN A 25 7.267 -7.169 1.337 1.00 0.00 N ATOM 380 CA GLN A 25 7.872 -6.543 2.500 1.00 0.00 C ATOM 381 C GLN A 25 6.796 -5.893 3.373 1.00 0.00 C ATOM 382 O GLN A 25 6.105 -4.977 2.932 1.00 0.00 O ATOM 383 CB GLN A 25 8.932 -5.521 2.084 1.00 0.00 C ATOM 384 CG GLN A 25 10.184 -5.645 2.954 1.00 0.00 C ATOM 385 CD GLN A 25 10.808 -7.035 2.822 1.00 0.00 C ATOM 386 OE1 GLN A 25 11.205 -7.467 1.752 1.00 0.00 O ATOM 387 NE2 GLN A 25 10.873 -7.710 3.967 1.00 0.00 N ATOM 0 H GLN A 25 7.110 -6.542 0.548 1.00 0.00 H new ATOM 0 HA GLN A 25 8.370 -7.315 3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.196 -5.671 1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.524 -4.514 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.911 -4.887 2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.927 -5.455 3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.522 -7.289 4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.274 -8.648 3.984 1.00 0.00 H new ATOM 396 N GLN A 26 6.689 -6.394 4.595 1.00 0.00 N ATOM 397 CA GLN A 26 5.709 -5.873 5.534 1.00 0.00 C ATOM 398 C GLN A 26 6.090 -4.456 5.967 1.00 0.00 C ATOM 399 O GLN A 26 7.181 -4.234 6.489 1.00 0.00 O ATOM 400 CB GLN A 26 5.566 -6.797 6.745 1.00 0.00 C ATOM 401 CG GLN A 26 4.102 -7.175 6.976 1.00 0.00 C ATOM 402 CD GLN A 26 3.181 -5.976 6.736 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.491 -4.846 7.075 1.00 0.00 O ATOM 404 NE2 GLN A 26 2.036 -6.285 6.134 1.00 0.00 N ATOM 0 H GLN A 26 7.264 -7.155 4.957 1.00 0.00 H new ATOM 0 HA GLN A 26 4.741 -5.831 5.034 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.158 -7.699 6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.962 -6.303 7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.824 -7.991 6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.973 -7.539 7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.840 -7.252 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.354 -5.555 5.929 1.00 0.00 H new ATOM 413 N ARG A 27 5.168 -3.533 5.734 1.00 0.00 N ATOM 414 CA ARG A 27 5.393 -2.143 6.093 1.00 0.00 C ATOM 415 C ARG A 27 4.156 -1.566 6.784 1.00 0.00 C ATOM 416 O ARG A 27 3.047 -2.064 6.596 1.00 0.00 O ATOM 417 CB ARG A 27 5.718 -1.300 4.858 1.00 0.00 C ATOM 418 CG ARG A 27 7.055 -1.721 4.244 1.00 0.00 C ATOM 419 CD ARG A 27 8.220 -0.991 4.913 1.00 0.00 C ATOM 420 NE ARG A 27 8.870 -1.877 5.905 1.00 0.00 N ATOM 421 CZ ARG A 27 9.818 -2.775 5.603 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.231 -2.912 4.335 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.351 -3.536 6.567 1.00 0.00 N ATOM 0 H ARG A 27 4.264 -3.721 5.301 1.00 0.00 H new ATOM 0 HA ARG A 27 6.243 -2.111 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.924 -1.409 4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.755 -0.246 5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.186 -2.798 4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.052 -1.506 3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.945 -0.680 4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.860 -0.086 5.402 1.00 0.00 H new ATOM 0 HE ARG A 27 8.578 -1.799 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.824 -2.333 3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.952 -3.595 4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.036 -3.432 7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.072 -4.219 6.337 1.00 0.00 H new ATOM 437 N TYR A 28 4.388 -0.525 7.570 1.00 0.00 N ATOM 438 CA TYR A 28 3.306 0.124 8.291 1.00 0.00 C ATOM 439 C TYR A 28 2.733 1.291 7.484 1.00 0.00 C ATOM 440 O TYR A 28 3.315 2.374 7.454 1.00 0.00 O ATOM 441 CB TYR A 28 3.924 0.666 9.581 1.00 0.00 C ATOM 442 CG TYR A 28 2.907 1.267 10.553 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.556 1.066 10.351 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.340 2.010 11.633 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.599 1.631 11.266 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.382 2.575 12.548 1.00 0.00 C ATOM 447 CZ TYR A 28 1.059 2.358 12.320 1.00 0.00 C ATOM 448 OH TYR A 28 0.155 2.892 13.184 1.00 0.00 O ATOM 0 H TYR A 28 5.309 -0.115 7.723 1.00 0.00 H new ATOM 0 HA TYR A 28 2.494 -0.579 8.480 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.458 -0.141 10.083 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.662 1.427 9.327 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.217 0.485 9.506 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.397 2.167 11.792 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.460 1.481 11.119 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.707 3.158 13.397 1.00 0.00 H new ATOM 0 HH TYR A 28 0.627 3.384 13.888 1.00 0.00 H new ATOM 458 N PHE A 29 1.599 1.030 6.849 1.00 0.00 N ATOM 459 CA PHE A 29 0.942 2.046 6.045 1.00 0.00 C ATOM 460 C PHE A 29 -0.042 2.861 6.887 1.00 0.00 C ATOM 461 O PHE A 29 -0.725 2.315 7.752 1.00 0.00 O ATOM 462 CB PHE A 29 0.169 1.314 4.945 1.00 0.00 C ATOM 463 CG PHE A 29 1.002 1.003 3.701 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.848 -0.063 3.697 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.898 1.792 2.598 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.621 -0.351 2.542 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.671 1.503 1.442 1.00 0.00 C ATOM 468 CZ PHE A 29 2.517 0.437 1.439 1.00 0.00 C ATOM 0 H PHE A 29 1.119 0.130 6.875 1.00 0.00 H new ATOM 0 HA PHE A 29 1.683 2.733 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.223 0.381 5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.689 1.920 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.931 -0.690 4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.227 2.639 2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.292 -1.197 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.587 2.129 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.106 0.217 0.561 1.00 0.00 H new ATOM 478 N VAL A 30 -0.083 4.154 6.604 1.00 0.00 N ATOM 479 CA VAL A 30 -0.972 5.050 7.324 1.00 0.00 C ATOM 480 C VAL A 30 -1.670 5.979 6.329 1.00 0.00 C ATOM 481 O VAL A 30 -1.081 6.373 5.324 1.00 0.00 O ATOM 482 CB VAL A 30 -0.192 5.807 8.401 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.966 7.038 8.876 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.153 4.889 9.576 1.00 0.00 C ATOM 0 H VAL A 30 0.485 4.603 5.886 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.748 4.484 7.840 1.00 0.00 H new ATOM 0 HB VAL A 30 0.743 6.150 7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.389 7.558 9.641 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.137 7.708 8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.924 6.727 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.707 5.452 10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.765 4.502 10.017 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.763 4.058 9.222 1.00 0.00 H new ATOM 494 N LEU A 31 -2.916 6.301 6.643 1.00 0.00 N ATOM 495 CA LEU A 31 -3.701 7.175 5.788 1.00 0.00 C ATOM 496 C LEU A 31 -3.882 8.528 6.479 1.00 0.00 C ATOM 497 O LEU A 31 -4.563 8.622 7.499 1.00 0.00 O ATOM 498 CB LEU A 31 -5.019 6.502 5.399 1.00 0.00 C ATOM 499 CG LEU A 31 -5.413 6.601 3.923 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.186 5.359 3.478 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.191 7.890 3.649 1.00 0.00 C ATOM 0 H LEU A 31 -3.401 5.972 7.478 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.177 7.362 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.959 5.448 5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.818 6.939 5.998 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.501 6.643 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.454 5.455 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.564 4.475 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.092 5.261 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.459 7.936 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.097 7.904 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.572 8.750 3.904 1.00 0.00 H new ATOM 513 N ARG A 32 -3.261 9.542 5.896 1.00 0.00 N ATOM 514 CA ARG A 32 -3.345 10.886 6.442 1.00 0.00 C ATOM 515 C ARG A 32 -3.815 11.868 5.368 1.00 0.00 C ATOM 516 O ARG A 32 -3.238 11.929 4.283 1.00 0.00 O ATOM 517 CB ARG A 32 -1.990 11.345 6.986 1.00 0.00 C ATOM 518 CG ARG A 32 -2.055 11.574 8.497 1.00 0.00 C ATOM 519 CD ARG A 32 -0.762 11.120 9.177 1.00 0.00 C ATOM 520 NE ARG A 32 -0.566 11.864 10.441 1.00 0.00 N ATOM 521 CZ ARG A 32 0.573 11.859 11.147 1.00 0.00 C ATOM 522 NH1 ARG A 32 1.625 11.150 10.716 1.00 0.00 N ATOM 523 NH2 ARG A 32 0.660 12.564 12.283 1.00 0.00 N ATOM 0 H ARG A 32 -2.697 9.460 5.050 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.065 10.867 7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.231 10.596 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.687 12.266 6.488 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.226 12.631 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.901 11.028 8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.804 10.050 9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.086 11.286 8.512 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.347 12.415 10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.559 10.614 9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.492 11.146 11.253 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.141 13.104 12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.527 12.560 12.820 1.00 0.00 H new ATOM 537 N ALA A 33 -4.857 12.612 5.706 1.00 0.00 N ATOM 538 CA ALA A 33 -5.411 13.589 4.784 1.00 0.00 C ATOM 539 C ALA A 33 -5.604 12.937 3.413 1.00 0.00 C ATOM 540 O ALA A 33 -6.042 11.791 3.323 1.00 0.00 O ATOM 541 CB ALA A 33 -4.494 14.812 4.724 1.00 0.00 C ATOM 0 H ALA A 33 -5.333 12.558 6.607 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.387 13.931 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.910 15.545 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.413 15.255 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.505 14.509 4.380 1.00 0.00 H new ATOM 547 N GLN A 34 -5.267 13.695 2.380 1.00 0.00 N ATOM 548 CA GLN A 34 -5.398 13.205 1.018 1.00 0.00 C ATOM 549 C GLN A 34 -4.051 12.690 0.508 1.00 0.00 C ATOM 550 O GLN A 34 -3.657 12.983 -0.620 1.00 0.00 O ATOM 551 CB GLN A 34 -5.955 14.291 0.096 1.00 0.00 C ATOM 552 CG GLN A 34 -7.266 14.858 0.645 1.00 0.00 C ATOM 553 CD GLN A 34 -7.565 16.232 0.041 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.365 16.377 -0.869 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.880 17.228 0.596 1.00 0.00 N ATOM 0 H GLN A 34 -4.903 14.645 2.459 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.106 12.376 1.017 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.224 15.093 -0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.122 13.878 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.084 14.173 0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.205 14.939 1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.226 17.036 1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.009 18.183 0.263 1.00 0.00 H new ATOM 564 N GLN A 35 -3.380 11.932 1.363 1.00 0.00 N ATOM 565 CA GLN A 35 -2.086 11.374 1.013 1.00 0.00 C ATOM 566 C GLN A 35 -1.858 10.055 1.754 1.00 0.00 C ATOM 567 O GLN A 35 -2.149 9.950 2.945 1.00 0.00 O ATOM 568 CB GLN A 35 -0.961 12.369 1.307 1.00 0.00 C ATOM 569 CG GLN A 35 -0.626 13.199 0.066 1.00 0.00 C ATOM 570 CD GLN A 35 0.697 13.947 0.248 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.740 13.365 0.497 1.00 0.00 O ATOM 572 NE2 GLN A 35 0.596 15.266 0.112 1.00 0.00 N ATOM 0 H GLN A 35 -3.709 11.691 2.298 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.078 11.173 -0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.258 13.030 2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.073 11.832 1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.563 12.547 -0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.428 13.912 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.308 15.689 -0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.423 15.854 0.216 1.00 0.00 H new ATOM 581 N LEU A 36 -1.340 9.082 1.020 1.00 0.00 N ATOM 582 CA LEU A 36 -1.070 7.774 1.593 1.00 0.00 C ATOM 583 C LEU A 36 0.420 7.664 1.923 1.00 0.00 C ATOM 584 O LEU A 36 1.268 7.860 1.053 1.00 0.00 O ATOM 585 CB LEU A 36 -1.578 6.668 0.666 1.00 0.00 C ATOM 586 CG LEU A 36 -1.405 5.235 1.175 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.071 4.834 1.194 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.066 5.055 2.543 1.00 0.00 C ATOM 0 H LEU A 36 -1.100 9.173 0.033 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.614 7.648 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.637 6.839 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.063 6.758 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.912 4.563 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.166 3.812 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.478 4.898 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.622 5.507 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.928 4.028 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.610 5.738 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.131 5.271 2.464 1.00 0.00 H new ATOM 600 N TYR A 37 0.693 7.351 3.181 1.00 0.00 N ATOM 601 CA TYR A 37 2.066 7.212 3.636 1.00 0.00 C ATOM 602 C TYR A 37 2.330 5.800 4.161 1.00 0.00 C ATOM 603 O TYR A 37 1.394 5.045 4.419 1.00 0.00 O ATOM 604 CB TYR A 37 2.233 8.210 4.784 1.00 0.00 C ATOM 605 CG TYR A 37 1.711 9.613 4.469 1.00 0.00 C ATOM 606 CD1 TYR A 37 2.549 10.548 3.895 1.00 0.00 C ATOM 607 CD2 TYR A 37 0.403 9.945 4.759 1.00 0.00 C ATOM 608 CE1 TYR A 37 2.058 11.869 3.599 1.00 0.00 C ATOM 609 CE2 TYR A 37 -0.088 11.266 4.462 1.00 0.00 C ATOM 610 CZ TYR A 37 0.764 12.163 3.897 1.00 0.00 C ATOM 611 OH TYR A 37 0.301 13.410 3.617 1.00 0.00 O ATOM 0 H TYR A 37 -0.013 7.190 3.899 1.00 0.00 H new ATOM 0 HA TYR A 37 2.762 7.396 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.712 7.828 5.662 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.290 8.276 5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.573 10.289 3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.252 9.214 5.209 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.703 12.610 3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.110 11.538 4.683 1.00 0.00 H new ATOM 0 HH TYR A 37 0.924 13.862 3.011 1.00 0.00 H new ATOM 621 N TYR A 38 3.609 5.485 4.304 1.00 0.00 N ATOM 622 CA TYR A 38 4.008 4.177 4.794 1.00 0.00 C ATOM 623 C TYR A 38 5.436 4.208 5.343 1.00 0.00 C ATOM 624 O TYR A 38 6.354 4.670 4.667 1.00 0.00 O ATOM 625 CB TYR A 38 3.959 3.241 3.585 1.00 0.00 C ATOM 626 CG TYR A 38 5.291 3.112 2.843 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.348 2.449 3.433 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.436 3.660 1.585 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.602 2.329 2.735 1.00 0.00 C ATOM 630 CE2 TYR A 38 6.689 3.539 0.887 1.00 0.00 C ATOM 631 CZ TYR A 38 7.710 2.879 1.496 1.00 0.00 C ATOM 632 OH TYR A 38 8.894 2.765 0.837 1.00 0.00 O ATOM 0 H TYR A 38 4.383 6.114 4.089 1.00 0.00 H new ATOM 0 HA TYR A 38 3.351 3.853 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.642 2.252 3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.201 3.602 2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.235 2.020 4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.609 4.180 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.438 1.814 3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.815 3.963 -0.098 1.00 0.00 H new ATOM 0 HH TYR A 38 8.826 3.204 -0.037 1.00 0.00 H new ATOM 642 N TYR A 39 5.579 3.711 6.562 1.00 0.00 N ATOM 643 CA TYR A 39 6.879 3.677 7.209 1.00 0.00 C ATOM 644 C TYR A 39 7.373 2.238 7.373 1.00 0.00 C ATOM 645 O TYR A 39 6.604 1.292 7.207 1.00 0.00 O ATOM 646 CB TYR A 39 6.678 4.295 8.594 1.00 0.00 C ATOM 647 CG TYR A 39 5.925 5.626 8.578 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.557 5.643 8.395 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.613 6.811 8.747 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.848 6.896 8.380 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.904 8.064 8.732 1.00 0.00 C ATOM 652 CZ TYR A 39 4.556 8.045 8.549 1.00 0.00 C ATOM 653 OH TYR A 39 3.886 9.228 8.534 1.00 0.00 O ATOM 0 H TYR A 39 4.815 3.328 7.119 1.00 0.00 H new ATOM 0 HA TYR A 39 7.617 4.215 6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.133 3.589 9.220 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.653 4.446 9.058 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.018 4.716 8.263 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.683 6.798 8.890 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.778 6.923 8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.430 8.998 8.863 1.00 0.00 H new ATOM 0 HH TYR A 39 4.519 9.964 8.668 1.00 0.00 H new ATOM 789 N GLN A 48 8.081 7.025 4.014 1.00 0.00 N ATOM 790 CA GLN A 48 8.995 6.493 3.017 1.00 0.00 C ATOM 791 C GLN A 48 8.510 6.846 1.610 1.00 0.00 C ATOM 792 O GLN A 48 9.273 7.368 0.799 1.00 0.00 O ATOM 793 CB GLN A 48 9.161 4.980 3.177 1.00 0.00 C ATOM 794 CG GLN A 48 10.268 4.653 4.181 1.00 0.00 C ATOM 795 CD GLN A 48 11.640 4.660 3.504 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.984 5.554 2.749 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.403 3.617 3.818 1.00 0.00 N ATOM 0 HA GLN A 48 9.973 6.950 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.221 4.541 3.511 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.397 4.532 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.255 5.381 4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.083 3.676 4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.053 2.903 4.457 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.338 3.531 3.420 1.00 0.00 H new ATOM 806 N GLY A 49 7.243 6.546 1.363 1.00 0.00 N ATOM 807 CA GLY A 49 6.647 6.825 0.067 1.00 0.00 C ATOM 808 C GLY A 49 5.241 7.408 0.225 1.00 0.00 C ATOM 809 O GLY A 49 4.401 6.835 0.917 1.00 0.00 O ATOM 0 H GLY A 49 6.613 6.113 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.275 7.525 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.601 5.908 -0.521 1.00 0.00 H new ATOM 813 N CYS A 50 5.028 8.541 -0.429 1.00 0.00 N ATOM 814 CA CYS A 50 3.739 9.208 -0.370 1.00 0.00 C ATOM 815 C CYS A 50 3.026 8.995 -1.707 1.00 0.00 C ATOM 816 O CYS A 50 3.654 9.047 -2.764 1.00 0.00 O ATOM 817 CB CYS A 50 3.885 10.693 -0.032 1.00 0.00 C ATOM 818 SG CYS A 50 4.474 11.614 -1.498 1.00 0.00 S ATOM 0 H CYS A 50 5.727 9.014 -1.002 1.00 0.00 H new ATOM 0 HA CYS A 50 3.141 8.777 0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.927 11.095 0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.586 10.819 0.793 1.00 0.00 H new ATOM 0 HG CYS A 50 4.445 10.837 -2.539 1.00 0.00 H new ATOM 824 N MET A 51 1.726 8.759 -1.618 1.00 0.00 N ATOM 825 CA MET A 51 0.921 8.538 -2.807 1.00 0.00 C ATOM 826 C MET A 51 -0.322 9.430 -2.802 1.00 0.00 C ATOM 827 O MET A 51 -1.191 9.285 -1.943 1.00 0.00 O ATOM 828 CB MET A 51 0.497 7.070 -2.871 1.00 0.00 C ATOM 829 CG MET A 51 0.539 6.549 -4.309 1.00 0.00 C ATOM 830 SD MET A 51 2.124 5.796 -4.639 1.00 0.00 S ATOM 831 CE MET A 51 1.737 4.903 -6.136 1.00 0.00 C ATOM 0 H MET A 51 1.209 8.716 -0.740 1.00 0.00 H new ATOM 0 HA MET A 51 1.521 8.790 -3.681 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.156 6.470 -2.244 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.511 6.961 -2.470 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.258 5.822 -4.465 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.364 7.368 -5.007 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.660 4.657 -6.662 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.206 3.985 -5.885 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.108 5.522 -6.776 1.00 0.00 H new ATOM 841 N TYR A 52 -0.368 10.332 -3.771 1.00 0.00 N ATOM 842 CA TYR A 52 -1.491 11.247 -3.889 1.00 0.00 C ATOM 843 C TYR A 52 -2.791 10.487 -4.164 1.00 0.00 C ATOM 844 O TYR A 52 -3.015 10.018 -5.278 1.00 0.00 O ATOM 845 CB TYR A 52 -1.178 12.147 -5.085 1.00 0.00 C ATOM 846 CG TYR A 52 -1.816 13.536 -5.003 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.844 14.212 -3.801 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.364 14.111 -6.132 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.444 15.519 -3.724 1.00 0.00 C ATOM 850 CE2 TYR A 52 -2.964 15.417 -6.055 1.00 0.00 C ATOM 851 CZ TYR A 52 -2.975 16.057 -4.854 1.00 0.00 C ATOM 852 OH TYR A 52 -3.542 17.291 -4.781 1.00 0.00 O ATOM 0 H TYR A 52 0.354 10.449 -4.482 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.625 11.811 -2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.097 12.259 -5.169 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.519 11.655 -5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.416 13.761 -2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.343 13.581 -7.073 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.471 16.060 -2.789 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.396 15.879 -6.931 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.879 17.549 -5.664 1.00 0.00 H new ATOM 862 N LEU A 53 -3.613 10.391 -3.129 1.00 0.00 N ATOM 863 CA LEU A 53 -4.884 9.696 -3.245 1.00 0.00 C ATOM 864 C LEU A 53 -5.715 10.346 -4.353 1.00 0.00 C ATOM 865 O LEU A 53 -6.324 9.651 -5.165 1.00 0.00 O ATOM 866 CB LEU A 53 -5.594 9.649 -1.891 1.00 0.00 C ATOM 867 CG LEU A 53 -4.892 8.845 -0.794 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.832 8.595 0.388 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.314 7.544 -1.352 1.00 0.00 C ATOM 0 H LEU A 53 -3.424 10.783 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.726 8.656 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.726 10.671 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.590 9.231 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.054 9.434 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.309 8.022 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.154 9.549 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.703 8.036 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.821 6.992 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.118 6.938 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.590 7.773 -2.134 1.00 0.00 H new ATOM 881 N PRO A 54 -5.714 11.706 -4.351 1.00 0.00 N ATOM 882 CA PRO A 54 -6.461 12.457 -5.345 1.00 0.00 C ATOM 883 C PRO A 54 -5.753 12.425 -6.702 1.00 0.00 C ATOM 884 O PRO A 54 -5.471 13.471 -7.284 1.00 0.00 O ATOM 885 CB PRO A 54 -6.581 13.859 -4.771 1.00 0.00 C ATOM 886 CG PRO A 54 -5.505 13.965 -3.702 1.00 0.00 C ATOM 887 CD PRO A 54 -5.004 12.561 -3.404 1.00 0.00 C ATOM 0 HA PRO A 54 -7.447 12.035 -5.538 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.437 14.612 -5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.571 14.024 -4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.686 14.597 -4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.907 14.426 -2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.925 12.489 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.218 12.274 -2.374 1.00 0.00 H new ATOM 895 N GLY A 55 -5.487 11.212 -7.165 1.00 0.00 N ATOM 896 CA GLY A 55 -4.818 11.030 -8.442 1.00 0.00 C ATOM 897 C GLY A 55 -4.103 9.678 -8.498 1.00 0.00 C ATOM 898 O GLY A 55 -2.968 9.591 -8.965 1.00 0.00 O ATOM 0 H GLY A 55 -5.722 10.347 -6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.546 11.094 -9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.098 11.833 -8.597 1.00 0.00 H new ATOM 902 N CYS A 56 -4.796 8.658 -8.016 1.00 0.00 N ATOM 903 CA CYS A 56 -4.242 7.315 -8.005 1.00 0.00 C ATOM 904 C CYS A 56 -5.300 6.354 -8.551 1.00 0.00 C ATOM 905 O CYS A 56 -6.452 6.738 -8.743 1.00 0.00 O ATOM 906 CB CYS A 56 -3.769 6.909 -6.608 1.00 0.00 C ATOM 907 SG CYS A 56 -1.978 7.238 -6.433 1.00 0.00 S ATOM 0 H CYS A 56 -5.737 8.734 -7.630 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.357 7.279 -8.641 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.324 7.464 -5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.971 5.851 -6.440 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.802 8.424 -5.930 1.00 0.00 H new ATOM 913 N THR A 57 -4.870 5.122 -8.786 1.00 0.00 N ATOM 914 CA THR A 57 -5.766 4.104 -9.306 1.00 0.00 C ATOM 915 C THR A 57 -5.601 2.799 -8.524 1.00 0.00 C ATOM 916 O THR A 57 -4.581 2.123 -8.646 1.00 0.00 O ATOM 917 CB THR A 57 -5.492 3.953 -10.804 1.00 0.00 C ATOM 918 OG1 THR A 57 -5.712 5.259 -11.330 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.539 3.087 -11.507 1.00 0.00 C ATOM 0 H THR A 57 -3.913 4.807 -8.626 1.00 0.00 H new ATOM 0 HA THR A 57 -6.809 4.393 -9.179 1.00 0.00 H new ATOM 0 HB THR A 57 -4.504 3.517 -10.950 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.555 5.253 -12.297 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.297 3.013 -12.567 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.543 2.091 -11.065 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.524 3.540 -11.390 1.00 0.00 H new ATOM 927 N ILE A 58 -6.621 2.484 -7.739 1.00 0.00 N ATOM 928 CA ILE A 58 -6.602 1.273 -6.937 1.00 0.00 C ATOM 929 C ILE A 58 -7.184 0.117 -7.754 1.00 0.00 C ATOM 930 O ILE A 58 -8.326 0.186 -8.207 1.00 0.00 O ATOM 931 CB ILE A 58 -7.314 1.503 -5.602 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.577 2.546 -4.761 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.501 0.185 -4.847 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.426 3.806 -4.583 1.00 0.00 C ATOM 0 H ILE A 58 -7.466 3.047 -7.641 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.578 1.000 -6.682 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.308 1.900 -5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.334 2.126 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.633 2.804 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.009 0.376 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.100 -0.498 -5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.527 -0.263 -4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.879 4.532 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.647 4.237 -5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.359 3.548 -4.081 1.00 0.00 H new ATOM 946 N LYS A 59 -6.374 -0.918 -7.916 1.00 0.00 N ATOM 947 CA LYS A 59 -6.794 -2.087 -8.670 1.00 0.00 C ATOM 948 C LYS A 59 -6.563 -3.342 -7.826 1.00 0.00 C ATOM 949 O LYS A 59 -5.657 -3.378 -6.996 1.00 0.00 O ATOM 950 CB LYS A 59 -6.098 -2.125 -10.032 1.00 0.00 C ATOM 951 CG LYS A 59 -6.559 -0.963 -10.915 1.00 0.00 C ATOM 952 CD LYS A 59 -5.367 -0.284 -11.593 1.00 0.00 C ATOM 953 CE LYS A 59 -4.759 -1.188 -12.667 1.00 0.00 C ATOM 954 NZ LYS A 59 -4.125 -2.373 -12.048 1.00 0.00 N ATOM 0 H LYS A 59 -5.428 -0.972 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.861 -2.039 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.018 -2.076 -9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.313 -3.071 -10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.252 -1.329 -11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.102 -0.236 -10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.687 0.656 -12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.611 -0.040 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.534 -1.506 -13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.020 -0.632 -13.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.602 -2.905 -12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.468 -2.066 -11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.859 -2.982 -11.633 1.00 0.00 H new ATOM 968 N GLU A 60 -7.399 -4.341 -8.069 1.00 0.00 N ATOM 969 CA GLU A 60 -7.297 -5.595 -7.342 1.00 0.00 C ATOM 970 C GLU A 60 -6.492 -6.614 -8.151 1.00 0.00 C ATOM 971 O GLU A 60 -7.064 -7.461 -8.835 1.00 0.00 O ATOM 972 CB GLU A 60 -8.683 -6.143 -6.996 1.00 0.00 C ATOM 973 CG GLU A 60 -9.446 -5.172 -6.092 1.00 0.00 C ATOM 974 CD GLU A 60 -10.950 -5.454 -6.131 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.557 -5.146 -7.179 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.457 -5.969 -5.112 1.00 0.00 O ATOM 0 H GLU A 60 -8.150 -4.307 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.772 -5.407 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.249 -6.315 -7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.583 -7.107 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.082 -5.260 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.256 -4.147 -6.411 1.00 0.00 H new ATOM 983 N ILE A 61 -5.176 -6.498 -8.046 1.00 0.00 N ATOM 984 CA ILE A 61 -4.286 -7.399 -8.759 1.00 0.00 C ATOM 985 C ILE A 61 -4.415 -8.806 -8.174 1.00 0.00 C ATOM 986 O ILE A 61 -3.823 -9.109 -7.139 1.00 0.00 O ATOM 987 CB ILE A 61 -2.855 -6.857 -8.749 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.842 -5.337 -8.924 1.00 0.00 C ATOM 989 CG2 ILE A 61 -1.994 -7.563 -9.798 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.765 -4.910 -10.067 1.00 0.00 C ATOM 0 H ILE A 61 -4.705 -5.794 -7.478 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.571 -7.464 -9.809 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.416 -7.072 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.158 -4.858 -7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.826 -4.999 -9.127 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.982 -7.159 -9.770 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.964 -8.632 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.421 -7.402 -10.788 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.738 -3.825 -10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.431 -5.372 -10.996 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.785 -5.228 -9.850 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.443 -11.629 -1.669 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.751 -10.211 -1.595 1.00 0.00 C ATOM 1125 C PHE A 71 -5.494 -9.366 -1.815 1.00 0.00 C ATOM 1126 O PHE A 71 -4.728 -9.132 -0.882 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.292 -9.943 -0.190 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.287 -10.994 0.305 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.411 -11.259 -0.415 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -8.049 -11.664 1.464 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.335 -12.234 0.044 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.973 -12.640 1.923 1.00 0.00 C ATOM 1133 CZ PHE A 71 -10.096 -12.905 1.203 1.00 0.00 C ATOM 0 HA PHE A 71 -7.475 -9.946 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.455 -9.893 0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.775 -8.966 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.600 -10.727 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.157 -11.454 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.228 -12.443 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.784 -13.172 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.798 -13.648 1.551 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.322 -8.930 -3.055 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.172 -8.116 -3.409 1.00 0.00 C ATOM 1145 C VAL A 72 -4.630 -6.947 -4.283 1.00 0.00 C ATOM 1146 O VAL A 72 -5.510 -7.106 -5.128 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.104 -8.982 -4.081 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.997 -8.117 -4.685 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.528 -10.003 -3.097 1.00 0.00 C ATOM 0 H VAL A 72 -5.960 -9.125 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.713 -7.694 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.580 -9.531 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.251 -8.757 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.425 -7.448 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.525 -7.528 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.771 -10.606 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.075 -9.481 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.327 -10.651 -2.736 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.013 -5.798 -4.050 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.346 -4.602 -4.805 1.00 0.00 C ATOM 1161 C PHE A 73 -3.129 -3.688 -4.950 1.00 0.00 C ATOM 1162 O PHE A 73 -2.339 -3.548 -4.017 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.433 -3.865 -4.020 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.931 -3.203 -2.735 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.554 -3.970 -1.677 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.862 -1.847 -2.651 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.088 -3.355 -0.485 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.396 -1.232 -1.459 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.019 -1.999 -0.401 1.00 0.00 C ATOM 0 H PHE A 73 -3.284 -5.670 -3.348 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.682 -4.875 -5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.876 -3.102 -4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.226 -4.569 -3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.609 -5.047 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.162 -1.238 -3.491 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.788 -3.964 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.341 -0.155 -1.393 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.665 -1.531 0.506 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.015 -3.088 -6.126 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.907 -2.190 -6.404 1.00 0.00 C ATOM 1181 C GLU A 74 -2.425 -0.778 -6.684 1.00 0.00 C ATOM 1182 O GLU A 74 -3.499 -0.610 -7.259 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.063 -2.706 -7.572 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.432 -1.991 -8.873 1.00 0.00 C ATOM 1185 CD GLU A 74 -1.107 -2.861 -10.088 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -0.129 -3.633 -9.989 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -1.844 -2.735 -11.090 1.00 0.00 O ATOM 0 H GLU A 74 -3.672 -3.206 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.266 -2.152 -5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.005 -2.553 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.213 -3.779 -7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.494 -1.747 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.889 -1.048 -8.941 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.637 0.201 -6.264 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.003 1.593 -6.462 1.00 0.00 C ATOM 1196 C ILE A 75 -1.109 2.201 -7.544 1.00 0.00 C ATOM 1197 O ILE A 75 0.114 2.082 -7.485 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.963 2.351 -5.134 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.705 1.581 -4.040 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.501 3.774 -5.299 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -1.965 1.677 -2.704 1.00 0.00 C ATOM 0 H ILE A 75 -0.747 0.058 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.031 1.671 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.923 2.434 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.714 1.979 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.805 0.535 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.462 4.291 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.892 4.311 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.533 3.735 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.513 1.121 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.965 1.256 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.888 2.722 -2.405 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.754 2.841 -8.509 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.033 3.468 -9.603 1.00 0.00 C ATOM 1215 C ILE A 76 -1.171 4.988 -9.494 1.00 0.00 C ATOM 1216 O ILE A 76 -2.282 5.516 -9.495 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.500 2.903 -10.946 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.135 1.423 -11.075 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.952 3.732 -12.110 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.371 0.579 -11.397 1.00 0.00 C ATOM 0 H ILE A 76 -2.768 2.939 -8.555 1.00 0.00 H new ATOM 0 HA ILE A 76 0.031 3.238 -9.539 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.587 2.971 -10.986 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.389 1.296 -11.859 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.684 1.074 -10.146 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.299 3.309 -13.053 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.304 4.760 -12.022 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.138 3.718 -12.085 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.084 -0.469 -11.483 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.105 0.689 -10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.806 0.915 -12.338 1.00 0.00 H new ATOM 1232 N PRO A 77 0.004 5.666 -9.401 1.00 0.00 N ATOM 1233 CA PRO A 77 0.025 7.115 -9.291 1.00 0.00 C ATOM 1234 C PRO A 77 -0.286 7.771 -10.638 1.00 0.00 C ATOM 1235 O PRO A 77 0.015 7.210 -11.690 1.00 0.00 O ATOM 1236 CB PRO A 77 1.414 7.451 -8.774 1.00 0.00 C ATOM 1237 CG PRO A 77 2.270 6.226 -9.054 1.00 0.00 C ATOM 1238 CD PRO A 77 1.338 5.075 -9.396 1.00 0.00 C ATOM 0 HA PRO A 77 -0.740 7.496 -8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.815 8.331 -9.276 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.390 7.676 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.956 6.420 -9.879 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.879 5.979 -8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.583 4.642 -10.366 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.413 4.273 -8.661 1.00 0.00 H new ATOM 1411 N SER A 89 3.979 0.721 -10.081 1.00 0.00 N ATOM 1412 CA SER A 89 2.848 0.989 -9.210 1.00 0.00 C ATOM 1413 C SER A 89 3.160 0.517 -7.788 1.00 0.00 C ATOM 1414 O SER A 89 4.258 0.036 -7.517 1.00 0.00 O ATOM 1415 CB SER A 89 1.579 0.308 -9.728 1.00 0.00 C ATOM 1416 OG SER A 89 1.794 -1.071 -10.018 1.00 0.00 O ATOM 0 HA SER A 89 2.672 2.065 -9.200 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.787 0.403 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.235 0.818 -10.628 1.00 0.00 H new ATOM 0 HG SER A 89 2.720 -1.204 -10.309 1.00 0.00 H new ATOM 1422 N TYR A 90 2.173 0.673 -6.917 1.00 0.00 N ATOM 1423 CA TYR A 90 2.329 0.269 -5.530 1.00 0.00 C ATOM 1424 C TYR A 90 1.553 -1.019 -5.244 1.00 0.00 C ATOM 1425 O TYR A 90 0.380 -0.973 -4.877 1.00 0.00 O ATOM 1426 CB TYR A 90 1.736 1.404 -4.692 1.00 0.00 C ATOM 1427 CG TYR A 90 2.781 2.236 -3.946 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.997 2.511 -4.538 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.507 2.713 -2.680 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.980 3.294 -3.836 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.490 3.497 -1.978 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.678 3.749 -2.591 1.00 0.00 C ATOM 1433 OH TYR A 90 5.606 4.489 -1.927 1.00 0.00 O ATOM 0 H TYR A 90 1.263 1.073 -7.145 1.00 0.00 H new ATOM 0 HA TYR A 90 3.378 0.082 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.161 2.061 -5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.038 0.982 -3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.211 2.138 -5.529 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.556 2.498 -2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.936 3.515 -4.288 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.289 3.876 -0.987 1.00 0.00 H new ATOM 0 HH TYR A 90 5.498 5.435 -2.160 1.00 0.00 H new ATOM 1443 N VAL A 91 2.241 -2.137 -5.422 1.00 0.00 N ATOM 1444 CA VAL A 91 1.632 -3.435 -5.187 1.00 0.00 C ATOM 1445 C VAL A 91 1.551 -3.691 -3.681 1.00 0.00 C ATOM 1446 O VAL A 91 2.553 -4.025 -3.050 1.00 0.00 O ATOM 1447 CB VAL A 91 2.407 -4.521 -5.937 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.798 -5.902 -5.687 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.471 -4.213 -7.434 1.00 0.00 C ATOM 0 H VAL A 91 3.214 -2.171 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 91 0.614 -3.454 -5.575 1.00 0.00 H new ATOM 0 HB VAL A 91 3.427 -4.531 -5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.368 -6.655 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.828 -6.125 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.764 -5.911 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.027 -5.000 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.460 -4.162 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.972 -3.257 -7.588 1.00 0.00 H new ATOM 1459 N LEU A 92 0.349 -3.525 -3.148 1.00 0.00 N ATOM 1460 CA LEU A 92 0.125 -3.734 -1.728 1.00 0.00 C ATOM 1461 C LEU A 92 -0.757 -4.968 -1.531 1.00 0.00 C ATOM 1462 O LEU A 92 -1.618 -5.259 -2.360 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.439 -2.466 -1.082 1.00 0.00 C ATOM 1464 CG LEU A 92 0.262 -1.157 -1.450 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.232 -0.005 -0.574 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.783 -1.313 -1.388 1.00 0.00 C ATOM 0 H LEU A 92 -0.480 -3.248 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 92 1.068 -3.931 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.491 -2.381 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.398 -2.585 0.001 1.00 0.00 H new ATOM 0 HG LEU A 92 0.005 -0.911 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.282 0.913 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.306 0.123 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.026 -0.229 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.257 -0.368 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.079 -1.596 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.098 -2.087 -2.088 1.00 0.00 H new ATOM 1478 N MET A 93 -0.511 -5.662 -0.429 1.00 0.00 N ATOM 1479 CA MET A 93 -1.272 -6.859 -0.113 1.00 0.00 C ATOM 1480 C MET A 93 -1.736 -6.845 1.345 1.00 0.00 C ATOM 1481 O MET A 93 -1.004 -6.401 2.228 1.00 0.00 O ATOM 1482 CB MET A 93 -0.406 -8.095 -0.362 1.00 0.00 C ATOM 1483 CG MET A 93 -1.094 -9.360 0.156 1.00 0.00 C ATOM 1484 SD MET A 93 -0.449 -10.795 -0.688 1.00 0.00 S ATOM 1485 CE MET A 93 1.257 -10.719 -0.168 1.00 0.00 C ATOM 0 H MET A 93 0.204 -5.418 0.256 1.00 0.00 H new ATOM 0 HA MET A 93 -2.153 -6.887 -0.754 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.208 -8.196 -1.429 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.558 -7.973 0.131 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.934 -9.457 1.230 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.170 -9.289 -0.001 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.854 -11.397 -0.778 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.629 -9.701 -0.287 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.332 -11.012 0.879 1.00 0.00 H new ATOM 1495 N ALA A 94 -2.949 -7.336 1.551 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.519 -7.386 2.887 1.00 0.00 C ATOM 1497 C ALA A 94 -3.677 -8.846 3.315 1.00 0.00 C ATOM 1498 O ALA A 94 -3.644 -9.749 2.480 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.847 -6.626 2.904 1.00 0.00 C ATOM 0 H ALA A 94 -3.553 -7.703 0.815 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.857 -6.902 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.275 -6.663 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.675 -5.587 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.538 -7.085 2.197 1.00 0.00 H new ATOM 1505 N SER A 95 -3.844 -9.033 4.616 1.00 0.00 N ATOM 1506 CA SER A 95 -4.007 -10.368 5.166 1.00 0.00 C ATOM 1507 C SER A 95 -5.452 -10.835 4.986 1.00 0.00 C ATOM 1508 O SER A 95 -5.701 -11.879 4.385 1.00 0.00 O ATOM 1509 CB SER A 95 -3.617 -10.406 6.645 1.00 0.00 C ATOM 1510 OG SER A 95 -2.235 -10.705 6.825 1.00 0.00 O ATOM 0 H SER A 95 -3.870 -8.282 5.306 1.00 0.00 H new ATOM 0 HA SER A 95 -3.344 -11.044 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.843 -9.444 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.220 -11.154 7.160 1.00 0.00 H new ATOM 0 HG SER A 95 -2.025 -10.718 7.782 1.00 0.00 H new ATOM 1516 N SER A 96 -6.368 -10.039 5.518 1.00 0.00 N ATOM 1517 CA SER A 96 -7.783 -10.358 5.424 1.00 0.00 C ATOM 1518 C SER A 96 -8.471 -9.402 4.447 1.00 0.00 C ATOM 1519 O SER A 96 -8.014 -8.278 4.249 1.00 0.00 O ATOM 1520 CB SER A 96 -8.455 -10.290 6.796 1.00 0.00 C ATOM 1521 OG SER A 96 -7.904 -11.235 7.709 1.00 0.00 O ATOM 0 H SER A 96 -6.158 -9.174 6.016 1.00 0.00 H new ATOM 0 HA SER A 96 -7.880 -11.378 5.053 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.345 -9.285 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.524 -10.474 6.685 1.00 0.00 H new ATOM 0 HG SER A 96 -8.359 -11.158 8.574 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.558 -9.885 3.863 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.313 -9.088 2.912 1.00 0.00 C ATOM 1529 C GLN A 97 -10.870 -7.836 3.594 1.00 0.00 C ATOM 1530 O GLN A 97 -10.740 -6.730 3.070 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.435 -9.910 2.276 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.229 -9.071 1.272 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.215 -9.941 0.490 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.036 -11.137 0.328 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -14.264 -9.275 0.014 1.00 0.00 N ATOM 0 H GLN A 97 -9.934 -10.818 4.030 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.640 -8.775 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.013 -10.781 1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.103 -10.282 3.053 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.770 -8.284 1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.544 -8.580 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.353 -8.274 0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.979 -9.766 -0.523 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.479 -8.052 4.750 1.00 0.00 N ATOM 1545 CA ALA A 98 -12.056 -6.955 5.508 1.00 0.00 C ATOM 1546 C ALA A 98 -11.038 -5.818 5.608 1.00 0.00 C ATOM 1547 O ALA A 98 -11.412 -4.648 5.673 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.500 -7.462 6.882 1.00 0.00 C ATOM 0 H ALA A 98 -11.586 -8.971 5.181 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.939 -6.563 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.933 -6.639 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.245 -8.248 6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.639 -7.861 7.418 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.769 -6.201 5.616 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.694 -5.228 5.706 1.00 0.00 C ATOM 1556 C GLU A 99 -8.503 -4.522 4.362 1.00 0.00 C ATOM 1557 O GLU A 99 -8.448 -3.295 4.304 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.394 -5.889 6.169 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.345 -4.837 6.535 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.671 -5.176 7.867 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -6.395 -5.664 8.761 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -4.448 -4.938 7.960 1.00 0.00 O ATOM 0 H GLU A 99 -9.462 -7.172 5.562 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.968 -4.480 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.592 -6.525 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.008 -6.533 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.594 -4.778 5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.816 -3.856 6.601 1.00 0.00 H new ATOM 1569 N MET A 100 -8.407 -5.328 3.315 1.00 0.00 N ATOM 1570 CA MET A 100 -8.223 -4.796 1.976 1.00 0.00 C ATOM 1571 C MET A 100 -9.417 -3.935 1.559 1.00 0.00 C ATOM 1572 O MET A 100 -9.251 -2.932 0.866 1.00 0.00 O ATOM 1573 CB MET A 100 -8.056 -5.951 0.986 1.00 0.00 C ATOM 1574 CG MET A 100 -7.824 -5.428 -0.433 1.00 0.00 C ATOM 1575 SD MET A 100 -8.237 -6.691 -1.625 1.00 0.00 S ATOM 1576 CE MET A 100 -9.999 -6.804 -1.357 1.00 0.00 C ATOM 0 H MET A 100 -8.453 -6.346 3.367 1.00 0.00 H new ATOM 0 HA MET A 100 -7.330 -4.171 1.973 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.216 -6.576 1.289 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.945 -6.582 1.004 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.432 -4.540 -0.606 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.783 -5.129 -0.554 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.244 -7.790 -0.962 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.308 -6.040 -0.644 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.521 -6.651 -2.301 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.593 -4.358 1.999 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.814 -3.637 1.680 1.00 0.00 C ATOM 1588 C GLU A 101 -11.806 -2.259 2.345 1.00 0.00 C ATOM 1589 O GLU A 101 -12.175 -1.264 1.723 1.00 0.00 O ATOM 1590 CB GLU A 101 -13.048 -4.440 2.097 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.756 -5.030 0.875 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.043 -3.948 -0.168 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.674 -2.940 0.219 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.625 -4.152 -1.328 1.00 0.00 O ATOM 0 H GLU A 101 -10.726 -5.190 2.573 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.859 -3.497 0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.753 -5.242 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.736 -3.797 2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.137 -5.811 0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.690 -5.500 1.183 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.382 -2.245 3.600 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.321 -1.006 4.356 1.00 0.00 C ATOM 1603 C GLU A 102 -10.262 -0.074 3.763 1.00 0.00 C ATOM 1604 O GLU A 102 -10.560 1.067 3.413 1.00 0.00 O ATOM 1605 CB GLU A 102 -11.045 -1.279 5.836 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.341 -0.042 6.686 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.835 0.063 7.000 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.624 0.000 6.033 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.154 0.204 8.201 1.00 0.00 O ATOM 0 H GLU A 102 -11.077 -3.073 4.113 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.291 -0.513 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.658 -2.114 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.004 -1.574 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.773 -0.090 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.013 0.853 6.158 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.048 -0.595 3.669 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.943 0.176 3.125 1.00 0.00 C ATOM 1618 C TRP A 103 -8.397 0.778 1.794 1.00 0.00 C ATOM 1619 O TRP A 103 -8.327 1.991 1.601 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.685 -0.686 2.993 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.700 -0.530 4.154 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.242 -1.480 4.980 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.066 0.692 4.584 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.363 -0.962 5.909 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.252 0.401 5.660 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.175 2.001 4.081 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.486 1.366 6.325 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.403 2.953 4.757 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.579 2.677 5.841 1.00 0.00 C ATOM 0 H TRP A 103 -8.805 -1.542 3.960 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.670 0.988 3.800 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.980 -1.733 2.918 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.178 -0.431 2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.525 -2.521 4.926 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.883 -1.483 6.643 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.804 2.252 3.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.857 1.113 7.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.451 3.975 4.411 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.013 3.469 6.308 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.852 -0.097 0.909 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.318 0.333 -0.398 1.00 0.00 C ATOM 1642 C VAL A 104 -10.472 1.321 -0.224 1.00 0.00 C ATOM 1643 O VAL A 104 -10.470 2.396 -0.823 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.695 -0.884 -1.245 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.538 -0.470 -2.454 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.448 -1.655 -1.684 1.00 0.00 C ATOM 0 H VAL A 104 -8.908 -1.102 1.072 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.524 0.853 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.299 -1.549 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.793 -1.353 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.452 0.014 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.970 0.224 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.745 -2.515 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.807 -1.003 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.903 -1.997 -0.804 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.431 0.923 0.599 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.589 1.761 0.860 1.00 0.00 C ATOM 1658 C LYS A 105 -12.138 3.215 1.010 1.00 0.00 C ATOM 1659 O LYS A 105 -12.547 4.079 0.236 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.373 1.232 2.063 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.489 2.201 2.459 1.00 0.00 C ATOM 1662 CD LYS A 105 -15.541 1.502 3.323 1.00 0.00 C ATOM 1663 CE LYS A 105 -15.666 2.180 4.689 1.00 0.00 C ATOM 1664 NZ LYS A 105 -17.013 2.772 4.852 1.00 0.00 N ATOM 0 H LYS A 105 -11.430 0.031 1.094 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.281 1.727 0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.800 0.258 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.698 1.085 2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.066 3.044 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.959 2.605 1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.505 1.520 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.270 0.455 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.483 1.453 5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.907 2.956 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.081 3.228 5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.173 3.480 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.732 2.024 4.779 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.302 3.441 2.013 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.791 4.775 2.275 1.00 0.00 C ATOM 1680 C PHE A 106 -9.940 5.276 1.105 1.00 0.00 C ATOM 1681 O PHE A 106 -10.188 6.356 0.571 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.913 4.681 3.524 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.698 4.684 4.838 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.219 5.846 5.316 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.874 3.525 5.527 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.947 5.849 6.535 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.603 3.528 6.746 1.00 0.00 C ATOM 1688 CZ PHE A 106 -12.124 4.690 7.224 1.00 0.00 C ATOM 0 H PHE A 106 -10.966 2.722 2.654 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.619 5.470 2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.318 3.769 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.214 5.517 3.528 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.079 6.766 4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.460 2.603 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.360 6.772 6.915 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.744 2.608 7.293 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.678 4.692 8.151 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.956 4.468 0.742 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.067 4.815 -0.354 1.00 0.00 C ATOM 1700 C LEU A 107 -8.895 5.345 -1.527 1.00 0.00 C ATOM 1701 O LEU A 107 -8.846 6.534 -1.839 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.175 3.627 -0.718 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.052 3.304 0.270 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.537 1.877 0.067 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.928 4.337 0.178 1.00 0.00 C ATOM 0 H LEU A 107 -8.754 3.573 1.188 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.388 5.613 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.805 2.744 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.729 3.818 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.459 3.359 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.740 1.673 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.352 1.170 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.152 1.770 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.143 4.084 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.516 4.338 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.323 5.326 0.409 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.636 4.437 -2.145 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.473 4.798 -3.276 1.00 0.00 C ATOM 1719 C ARG A 108 -11.332 6.017 -2.934 1.00 0.00 C ATOM 1720 O ARG A 108 -11.336 7.004 -3.668 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.384 3.637 -3.680 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.224 3.305 -5.165 1.00 0.00 C ATOM 1723 CD ARG A 108 -11.519 1.827 -5.430 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.387 1.537 -6.876 1.00 0.00 N ATOM 1725 CZ ARG A 108 -11.849 0.425 -7.464 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -12.477 -0.507 -6.734 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -11.684 0.246 -8.781 1.00 0.00 N ATOM 0 H ARG A 108 -9.674 3.452 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.815 5.036 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.147 2.758 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.422 3.895 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.898 3.926 -5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.210 3.541 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.831 1.202 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.526 1.582 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.915 2.227 -7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.603 -0.370 -5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.829 -1.354 -7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.207 0.956 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.036 -0.600 -9.229 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.038 5.908 -1.818 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.899 6.989 -1.369 1.00 0.00 C ATOM 1743 C ARG A 109 -12.202 8.338 -1.561 1.00 0.00 C ATOM 1744 O ARG A 109 -12.591 9.125 -2.422 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.272 6.821 0.105 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.099 8.008 0.601 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.822 7.667 1.906 1.00 0.00 C ATOM 1748 NE ARG A 109 -16.251 7.393 1.636 1.00 0.00 N ATOM 1749 CZ ARG A 109 -17.051 6.699 2.457 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.566 6.205 3.605 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -18.335 6.500 2.131 1.00 0.00 N ATOM 0 H ARG A 109 -12.031 5.088 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.809 6.958 -1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.838 5.899 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.366 6.729 0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.449 8.869 0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.827 8.291 -0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.358 6.798 2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.728 8.494 2.610 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.652 7.755 0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.588 6.357 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.175 5.677 4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.704 6.877 1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -18.944 5.972 2.756 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.184 8.563 -0.743 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.429 9.802 -0.812 1.00 0.00 C ATOM 1767 C VAL A 110 -10.099 10.113 -2.274 1.00 0.00 C ATOM 1768 O VAL A 110 -10.371 11.212 -2.755 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.185 9.707 0.074 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.254 10.899 -0.158 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.571 9.592 1.550 1.00 0.00 C ATOM 0 H VAL A 110 -10.865 7.908 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.022 10.632 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.645 8.802 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.378 10.807 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.939 10.917 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.781 11.824 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.669 9.526 2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.144 10.471 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.175 8.697 1.699 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.518 9.126 -2.939 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.148 9.280 -4.336 1.00 0.00 C ATOM 1783 C ALA A 111 -10.364 9.763 -5.130 1.00 0.00 C ATOM 1784 O ALA A 111 -10.222 10.525 -6.085 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.594 7.957 -4.867 1.00 0.00 C ATOM 0 H ALA A 111 -9.294 8.216 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.363 10.029 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.317 8.073 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.715 7.672 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.355 7.182 -4.777 1.00 0.00 H new