USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 688 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 94 MET CE :methyl -115:sc= -8.63! (180deg=-13.8!) USER MOD Set 1.2: A 99 GLN :FLIP amide:sc= -1.06 F(o=-11,f=-9.7) USER MOD Set 2.1: A 70 MET CE :methyl 179:sc= -0.869 (180deg=-0.685) USER MOD Set 2.2: A 72 GLN : amide:sc= -1.08 K(o=-1.9,f=-2.5) USER MOD Single : A 14 HIS : no HD1:sc= -16.8! C(o=-17!,f=-24!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.24 F(o=-3.9!,f=-1.2) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 22:sc= -1.05! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00596 X(o=-0.006,f=0) USER MOD Single : A 30 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 47 GLN : amide:sc= -10.1! C(o=-10!,f=-13!) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.6 F(o=-2.6,f=-0.6) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.629 F(o=-1.7!,f=-0.63) USER MOD Single : A 65 SER OG : rot 61:sc= 1.1 USER MOD Single : A 66 GLN : amide:sc= -0.561 K(o=-0.56,f=-1.7) USER MOD Single : A 74 TYR OH : rot 106:sc= 0.106 USER MOD Single : A 79 TYR OH : rot -146:sc= -1.17 USER MOD Single : A 80 MET CE :methyl 159:sc= -0.044 (180deg=-0.566) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0338 K(o=-0.034,f=-0.58) USER MOD Single : A 90 GLN : amide:sc= -0.114 K(o=-0.11,f=-2!) USER MOD Single : A 91 HIS : no HE2:sc= -18.1! C(o=-18!,f=-18!) USER MOD Single : A 92 HIS :FLIP no HE2:sc= -3.66 F(o=-5.3!,f=-3.7) USER MOD Single : A 104 LYS NZ :NH3+ -151:sc= -1.06 (180deg=-1.7) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 10 -6.871 4.004 -7.586 1.00 0.00 N ATOM 106 CA ALA A 10 -5.508 4.214 -7.128 1.00 0.00 C ATOM 107 C ALA A 10 -4.604 3.130 -7.718 1.00 0.00 C ATOM 108 O ALA A 10 -4.990 1.965 -7.790 1.00 0.00 O ATOM 109 CB ALA A 10 -5.479 4.227 -5.598 1.00 0.00 C ATOM 0 HA ALA A 10 -5.133 5.179 -7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.457 4.385 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.114 5.033 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.846 3.273 -5.219 1.00 0.00 H new ATOM 115 N PRO A 11 -3.384 3.564 -8.137 1.00 0.00 N ATOM 116 CA PRO A 11 -2.422 2.644 -8.719 1.00 0.00 C ATOM 117 C PRO A 11 -1.779 1.770 -7.641 1.00 0.00 C ATOM 118 O PRO A 11 -2.018 1.969 -6.451 1.00 0.00 O ATOM 119 CB PRO A 11 -1.419 3.529 -9.442 1.00 0.00 C ATOM 120 CG PRO A 11 -1.591 4.920 -8.854 1.00 0.00 C ATOM 121 CD PRO A 11 -2.892 4.938 -8.069 1.00 0.00 C ATOM 0 HA PRO A 11 -2.881 1.937 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.402 3.166 -9.296 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.605 3.533 -10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.751 5.166 -8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.613 5.669 -9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.728 5.249 -7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.607 5.637 -8.503 1.00 0.00 H new ATOM 129 N PRO A 12 -0.952 0.796 -8.108 1.00 0.00 N ATOM 130 CA PRO A 12 -0.273 -0.111 -7.197 1.00 0.00 C ATOM 131 C PRO A 12 0.892 0.589 -6.495 1.00 0.00 C ATOM 132 O PRO A 12 2.005 0.624 -7.018 1.00 0.00 O ATOM 133 CB PRO A 12 0.169 -1.280 -8.062 1.00 0.00 C ATOM 134 CG PRO A 12 0.134 -0.774 -9.496 1.00 0.00 C ATOM 135 CD PRO A 12 -0.645 0.531 -9.510 1.00 0.00 C ATOM 0 HA PRO A 12 -0.916 -0.454 -6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.171 -1.611 -7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.495 -2.135 -7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.146 -0.619 -9.871 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.339 -1.508 -10.149 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.057 1.338 -9.946 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.554 0.443 -10.104 1.00 0.00 H new ATOM 143 N ASP A 13 0.597 1.129 -5.322 1.00 0.00 N ATOM 144 CA ASP A 13 1.606 1.825 -4.543 1.00 0.00 C ATOM 145 C ASP A 13 2.922 1.046 -4.610 1.00 0.00 C ATOM 146 O ASP A 13 3.999 1.631 -4.508 1.00 0.00 O ATOM 147 CB ASP A 13 1.193 1.930 -3.074 1.00 0.00 C ATOM 148 CG ASP A 13 1.998 2.933 -2.245 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.078 4.123 -2.585 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.568 2.442 -1.197 1.00 0.00 O ATOM 0 H ASP A 13 -0.327 1.098 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 13 1.720 2.827 -4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.140 2.206 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.285 0.946 -2.615 1.00 0.00 H new ATOM 156 N HIS A 14 2.791 -0.261 -4.778 1.00 0.00 N ATOM 157 CA HIS A 14 3.956 -1.126 -4.861 1.00 0.00 C ATOM 158 C HIS A 14 3.615 -2.370 -5.685 1.00 0.00 C ATOM 159 O HIS A 14 2.463 -2.799 -5.719 1.00 0.00 O ATOM 160 CB HIS A 14 4.479 -1.464 -3.464 1.00 0.00 C ATOM 161 CG HIS A 14 3.868 -2.708 -2.864 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.334 -2.740 -1.587 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.709 -3.962 -3.378 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.880 -3.963 -1.354 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.113 -4.718 -2.466 1.00 0.00 N ATOM 0 H HIS A 14 1.896 -0.743 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 14 4.765 -0.606 -5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.561 -1.590 -3.513 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.286 -0.621 -2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.017 -4.284 -4.362 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.408 -4.302 -0.444 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.869 -5.702 -2.578 1.00 0.00 H new ATOM 173 N LEU A 15 4.638 -2.912 -6.328 1.00 0.00 N ATOM 174 CA LEU A 15 4.461 -4.098 -7.149 1.00 0.00 C ATOM 175 C LEU A 15 5.524 -5.134 -6.777 1.00 0.00 C ATOM 176 O LEU A 15 6.650 -4.777 -6.430 1.00 0.00 O ATOM 177 CB LEU A 15 4.459 -3.726 -8.632 1.00 0.00 C ATOM 178 CG LEU A 15 3.218 -2.986 -9.137 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.474 -2.356 -10.508 1.00 0.00 C ATOM 180 CD2 LEU A 15 1.998 -3.908 -9.149 1.00 0.00 C ATOM 0 H LEU A 15 5.592 -2.552 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 15 3.490 -4.554 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.333 -3.107 -8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.575 -4.639 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 15 3.001 -2.172 -8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.576 -1.837 -10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.298 -1.646 -10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.731 -3.136 -11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.130 -3.358 -9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.190 -4.757 -9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.804 -4.267 -8.138 1.00 0.00 H new ATOM 192 N TRP A 16 5.129 -6.396 -6.860 1.00 0.00 N ATOM 193 CA TRP A 16 6.034 -7.486 -6.537 1.00 0.00 C ATOM 194 C TRP A 16 5.985 -8.497 -7.683 1.00 0.00 C ATOM 195 O TRP A 16 4.964 -9.151 -7.895 1.00 0.00 O ATOM 196 CB TRP A 16 5.687 -8.102 -5.180 1.00 0.00 C ATOM 197 CG TRP A 16 6.001 -7.197 -3.987 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.090 -6.441 -3.789 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.169 -6.983 -2.827 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.020 -5.758 -2.591 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.815 -6.098 -1.989 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.911 -7.520 -2.499 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.281 -5.672 -0.767 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.392 -7.083 -1.274 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.030 -6.194 -0.418 1.00 0.00 C ATOM 0 H TRP A 16 4.195 -6.688 -7.146 1.00 0.00 H new ATOM 0 HA TRP A 16 7.057 -7.122 -6.438 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.626 -8.349 -5.166 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.234 -9.038 -5.067 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.918 -6.374 -4.479 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.723 -5.121 -2.217 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.387 -8.214 -3.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.806 -4.978 -0.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.427 -7.464 -0.973 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.563 -5.907 0.512 1.00 0.00 H new ATOM 216 N VAL A 17 7.099 -8.595 -8.393 1.00 0.00 N ATOM 217 CA VAL A 17 7.195 -9.516 -9.513 1.00 0.00 C ATOM 218 C VAL A 17 7.240 -10.951 -8.985 1.00 0.00 C ATOM 219 O VAL A 17 8.132 -11.305 -8.215 1.00 0.00 O ATOM 220 CB VAL A 17 8.403 -9.160 -10.381 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.712 -9.444 -9.642 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.355 -9.903 -11.717 1.00 0.00 C ATOM 0 H VAL A 17 7.943 -8.052 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 17 6.316 -9.433 -10.153 1.00 0.00 H new ATOM 0 HB VAL A 17 8.362 -8.091 -10.590 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.555 -9.182 -10.281 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.751 -8.850 -8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.764 -10.503 -9.388 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.225 -9.632 -12.315 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.359 -10.978 -11.536 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.446 -9.629 -12.253 1.00 0.00 H new ATOM 232 N HIS A 18 6.268 -11.739 -9.419 1.00 0.00 N ATOM 233 CA HIS A 18 6.185 -13.128 -9.000 1.00 0.00 C ATOM 234 C HIS A 18 6.397 -14.042 -10.208 1.00 0.00 C ATOM 235 O HIS A 18 6.953 -15.131 -10.077 1.00 0.00 O ATOM 236 CB HIS A 18 4.866 -13.400 -8.275 1.00 0.00 C ATOM 237 CG HIS A 18 4.571 -14.865 -8.065 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.585 -15.911 -8.940 1.00 0.00 N flip ATOM 239 CD2 HIS A 18 4.211 -15.388 -6.835 1.00 0.00 C flip ATOM 240 CE1 HIS A 18 4.253 -17.014 -8.280 1.00 0.00 C flip ATOM 241 NE2 HIS A 18 4.020 -16.692 -6.975 1.00 0.00 N flip ATOM 0 H HIS A 18 5.530 -11.442 -10.057 1.00 0.00 H new ATOM 0 HA HIS A 18 6.977 -13.342 -8.282 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.887 -12.902 -7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.051 -12.954 -8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.104 -14.829 -5.917 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.179 -18.004 -8.706 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.747 -17.341 -6.237 1.00 0.00 H new ATOM 249 N GLN A 19 5.942 -13.566 -11.358 1.00 0.00 N ATOM 250 CA GLN A 19 6.074 -14.327 -12.588 1.00 0.00 C ATOM 251 C GLN A 19 6.595 -13.430 -13.713 1.00 0.00 C ATOM 252 O GLN A 19 6.502 -12.207 -13.631 1.00 0.00 O ATOM 253 CB GLN A 19 4.744 -14.976 -12.976 1.00 0.00 C ATOM 254 CG GLN A 19 4.623 -16.378 -12.375 1.00 0.00 C ATOM 255 CD GLN A 19 4.344 -17.419 -13.461 1.00 0.00 C ATOM 256 OE1 GLN A 19 5.232 -18.098 -13.948 1.00 0.00 O ATOM 257 NE2 GLN A 19 3.064 -17.505 -13.813 1.00 0.00 N ATOM 0 H GLN A 19 5.481 -12.662 -11.463 1.00 0.00 H new ATOM 0 HA GLN A 19 6.796 -15.126 -12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.918 -14.355 -12.630 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.666 -15.034 -14.062 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.544 -16.633 -11.850 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.821 -16.393 -11.637 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.370 -16.906 -13.365 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.776 -18.170 -14.531 1.00 0.00 H new ATOM 266 N GLU A 20 7.133 -14.075 -14.739 1.00 0.00 N ATOM 267 CA GLU A 20 7.669 -13.351 -15.880 1.00 0.00 C ATOM 268 C GLU A 20 6.629 -12.366 -16.420 1.00 0.00 C ATOM 269 O GLU A 20 5.621 -12.775 -16.992 1.00 0.00 O ATOM 270 CB GLU A 20 8.130 -14.316 -16.974 1.00 0.00 C ATOM 271 CG GLU A 20 8.058 -13.657 -18.352 1.00 0.00 C ATOM 272 CD GLU A 20 8.547 -14.612 -19.443 1.00 0.00 C ATOM 273 OE1 GLU A 20 7.935 -15.668 -19.660 1.00 0.00 O ATOM 274 OE2 GLU A 20 9.601 -14.223 -20.076 1.00 0.00 O ATOM 0 H GLU A 20 7.209 -15.090 -14.804 1.00 0.00 H new ATOM 0 HA GLU A 20 8.540 -12.785 -15.550 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.152 -14.637 -16.774 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.507 -15.210 -16.962 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.032 -13.355 -18.561 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.664 -12.751 -18.358 1.00 0.00 H new ATOM 282 N GLY A 21 6.913 -11.088 -16.218 1.00 0.00 N ATOM 283 CA GLY A 21 6.015 -10.042 -16.677 1.00 0.00 C ATOM 284 C GLY A 21 4.748 -9.991 -15.819 1.00 0.00 C ATOM 285 O GLY A 21 3.713 -9.498 -16.264 1.00 0.00 O ATOM 0 H GLY A 21 7.751 -10.753 -15.743 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.523 -9.079 -16.639 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.746 -10.219 -17.718 1.00 0.00 H new ATOM 289 N ILE A 22 4.874 -10.505 -14.605 1.00 0.00 N ATOM 290 CA ILE A 22 3.753 -10.525 -13.681 1.00 0.00 C ATOM 291 C ILE A 22 4.171 -9.865 -12.366 1.00 0.00 C ATOM 292 O ILE A 22 5.261 -10.121 -11.857 1.00 0.00 O ATOM 293 CB ILE A 22 3.222 -11.950 -13.512 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.249 -12.309 -14.638 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.595 -12.142 -12.131 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.993 -12.901 -15.837 1.00 0.00 C ATOM 0 H ILE A 22 5.735 -10.911 -14.239 1.00 0.00 H new ATOM 0 HA ILE A 22 2.921 -9.945 -14.080 1.00 0.00 H new ATOM 0 HB ILE A 22 4.064 -12.639 -13.581 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.513 -13.025 -14.273 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.702 -11.419 -14.948 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.226 -13.163 -12.038 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.345 -11.956 -11.362 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.767 -11.444 -12.007 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.279 -13.147 -16.623 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.711 -12.174 -16.215 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.519 -13.804 -15.529 1.00 0.00 H new ATOM 308 N TYR A 23 3.281 -9.028 -11.852 1.00 0.00 N ATOM 309 CA TYR A 23 3.544 -8.329 -10.605 1.00 0.00 C ATOM 310 C TYR A 23 2.336 -8.405 -9.669 1.00 0.00 C ATOM 311 O TYR A 23 1.202 -8.552 -10.123 1.00 0.00 O ATOM 312 CB TYR A 23 3.789 -6.867 -10.985 1.00 0.00 C ATOM 313 CG TYR A 23 5.251 -6.542 -11.295 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.124 -6.239 -10.269 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.699 -6.551 -12.602 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.500 -5.933 -10.562 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.074 -6.245 -12.893 1.00 0.00 C ATOM 318 CZ TYR A 23 7.908 -5.952 -11.859 1.00 0.00 C ATOM 319 OH TYR A 23 9.208 -5.662 -12.135 1.00 0.00 O ATOM 0 H TYR A 23 2.377 -8.818 -12.276 1.00 0.00 H new ATOM 0 HA TYR A 23 4.393 -8.774 -10.087 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.180 -6.622 -11.855 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.451 -6.228 -10.169 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.775 -6.232 -9.247 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.017 -6.788 -13.405 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.193 -5.694 -9.769 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.436 -6.248 -13.910 1.00 0.00 H new ATOM 0 HH TYR A 23 9.754 -5.814 -11.335 1.00 0.00 H new ATOM 329 N ARG A 24 2.620 -8.299 -8.379 1.00 0.00 N ATOM 330 CA ARG A 24 1.571 -8.352 -7.375 1.00 0.00 C ATOM 331 C ARG A 24 1.397 -6.982 -6.717 1.00 0.00 C ATOM 332 O ARG A 24 2.377 -6.338 -6.347 1.00 0.00 O ATOM 333 CB ARG A 24 1.892 -9.390 -6.298 1.00 0.00 C ATOM 334 CG ARG A 24 0.677 -10.275 -6.010 1.00 0.00 C ATOM 335 CD ARG A 24 1.099 -11.726 -5.773 1.00 0.00 C ATOM 336 NE ARG A 24 1.912 -11.821 -4.539 1.00 0.00 N ATOM 337 CZ ARG A 24 1.393 -11.916 -3.297 1.00 0.00 C ATOM 338 NH1 ARG A 24 0.056 -11.930 -3.111 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.213 -11.995 -2.265 1.00 0.00 N ATOM 0 H ARG A 24 3.561 -8.177 -8.006 1.00 0.00 H new ATOM 0 HA ARG A 24 0.646 -8.639 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.729 -10.009 -6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.204 -8.886 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.148 -9.899 -5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.019 -10.227 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.217 -12.361 -5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.672 -12.091 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 24 2.928 -11.814 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.571 -11.869 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.327 -12.002 -2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.222 -11.984 -2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.837 -12.067 -1.319 1.00 0.00 H new ATOM 352 N ASP A 25 0.141 -6.576 -6.591 1.00 0.00 N ATOM 353 CA ASP A 25 -0.174 -5.294 -5.986 1.00 0.00 C ATOM 354 C ASP A 25 -0.179 -5.442 -4.463 1.00 0.00 C ATOM 355 O ASP A 25 0.113 -6.516 -3.940 1.00 0.00 O ATOM 356 CB ASP A 25 -1.558 -4.805 -6.418 1.00 0.00 C ATOM 357 CG ASP A 25 -1.774 -3.295 -6.308 1.00 0.00 C ATOM 358 OD1 ASP A 25 -0.894 -2.556 -5.841 1.00 0.00 O ATOM 359 OD2 ASP A 25 -2.918 -2.876 -6.733 1.00 0.00 O ATOM 0 H ASP A 25 -0.670 -7.113 -6.898 1.00 0.00 H new ATOM 0 HA ASP A 25 0.579 -4.575 -6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.727 -5.107 -7.452 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.310 -5.309 -5.812 1.00 0.00 H new ATOM 365 N GLU A 26 -0.513 -4.347 -3.796 1.00 0.00 N ATOM 366 CA GLU A 26 -0.559 -4.341 -2.343 1.00 0.00 C ATOM 367 C GLU A 26 -1.992 -4.571 -1.857 1.00 0.00 C ATOM 368 O GLU A 26 -2.315 -4.280 -0.706 1.00 0.00 O ATOM 369 CB GLU A 26 0.008 -3.036 -1.782 1.00 0.00 C ATOM 370 CG GLU A 26 -0.979 -1.882 -1.975 1.00 0.00 C ATOM 371 CD GLU A 26 -0.674 -0.733 -1.011 1.00 0.00 C ATOM 372 OE1 GLU A 26 -1.571 -0.277 -0.287 1.00 0.00 O ATOM 373 OE2 GLU A 26 0.546 -0.313 -1.032 1.00 0.00 O ATOM 0 H GLU A 26 -0.754 -3.458 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 26 0.064 -5.156 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.229 -3.157 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.949 -2.801 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.927 -1.523 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.996 -2.238 -1.812 1.00 0.00 H new ATOM 381 N TYR A 27 -2.812 -5.092 -2.758 1.00 0.00 N ATOM 382 CA TYR A 27 -4.202 -5.363 -2.435 1.00 0.00 C ATOM 383 C TYR A 27 -4.662 -6.683 -3.057 1.00 0.00 C ATOM 384 O TYR A 27 -5.852 -6.875 -3.308 1.00 0.00 O ATOM 385 CB TYR A 27 -5.009 -4.216 -3.047 1.00 0.00 C ATOM 386 CG TYR A 27 -5.192 -3.017 -2.114 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.933 -3.151 -0.957 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.618 -1.803 -2.430 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.105 -2.022 -0.078 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.791 -0.675 -1.552 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.526 -0.840 -0.420 1.00 0.00 C ATOM 392 OH TYR A 27 -5.689 0.226 0.409 1.00 0.00 O ATOM 0 H TYR A 27 -2.540 -5.333 -3.711 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.337 -5.440 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.513 -3.882 -3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.991 -4.590 -3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.383 -4.101 -0.711 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.039 -1.699 -3.336 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.680 -2.113 0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.347 0.281 -1.787 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.220 1.003 0.039 1.00 0.00 H new ATOM 402 N GLN A 28 -3.696 -7.560 -3.290 1.00 0.00 N ATOM 403 CA GLN A 28 -3.986 -8.856 -3.878 1.00 0.00 C ATOM 404 C GLN A 28 -4.447 -8.690 -5.329 1.00 0.00 C ATOM 405 O GLN A 28 -5.414 -9.320 -5.752 1.00 0.00 O ATOM 406 CB GLN A 28 -5.032 -9.609 -3.054 1.00 0.00 C ATOM 407 CG GLN A 28 -4.364 -10.530 -2.031 1.00 0.00 C ATOM 408 CD GLN A 28 -5.372 -11.011 -0.985 1.00 0.00 C ATOM 409 OE1 GLN A 28 -6.245 -11.819 -1.253 1.00 0.00 O ATOM 410 NE2 GLN A 28 -5.203 -10.469 0.219 1.00 0.00 N ATOM 0 H GLN A 28 -2.711 -7.398 -3.082 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.071 -9.449 -3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.678 -8.897 -2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.668 -10.196 -3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.926 -11.388 -2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.548 -10.001 -1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.451 -9.798 0.375 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.826 -10.725 0.985 1.00 0.00 H new ATOM 419 N ARG A 29 -3.731 -7.838 -6.048 1.00 0.00 N ATOM 420 CA ARG A 29 -4.054 -7.581 -7.442 1.00 0.00 C ATOM 421 C ARG A 29 -2.854 -7.908 -8.333 1.00 0.00 C ATOM 422 O ARG A 29 -1.812 -7.263 -8.237 1.00 0.00 O ATOM 423 CB ARG A 29 -4.455 -6.120 -7.654 1.00 0.00 C ATOM 424 CG ARG A 29 -5.831 -5.836 -7.046 1.00 0.00 C ATOM 425 CD ARG A 29 -6.414 -4.533 -7.596 1.00 0.00 C ATOM 426 NE ARG A 29 -7.418 -3.990 -6.652 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.439 -3.186 -7.015 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.603 -2.824 -8.305 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.277 -2.759 -6.088 1.00 0.00 N ATOM 0 H ARG A 29 -2.929 -7.317 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.896 -8.219 -7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.711 -5.465 -7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.471 -5.894 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.507 -6.662 -7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.747 -5.772 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.617 -3.805 -7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.875 -4.713 -8.567 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.332 -4.239 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.952 -3.159 -9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.378 -2.216 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.147 -3.038 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.054 -2.151 -6.345 1.00 0.00 H new ATOM 442 N THR A 30 -3.042 -8.910 -9.180 1.00 0.00 N ATOM 443 CA THR A 30 -1.989 -9.330 -10.088 1.00 0.00 C ATOM 444 C THR A 30 -1.865 -8.344 -11.253 1.00 0.00 C ATOM 445 O THR A 30 -2.860 -7.776 -11.698 1.00 0.00 O ATOM 446 CB THR A 30 -2.290 -10.761 -10.533 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.678 -10.738 -10.861 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.197 -11.765 -9.381 1.00 0.00 C ATOM 0 H THR A 30 -3.908 -9.443 -9.256 1.00 0.00 H new ATOM 0 HA THR A 30 -1.017 -9.326 -9.595 1.00 0.00 H new ATOM 0 HB THR A 30 -1.596 -11.049 -11.323 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.788 -10.476 -11.799 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.420 -12.766 -9.752 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.190 -11.748 -8.964 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.915 -11.497 -8.606 1.00 0.00 H new ATOM 456 N TRP A 31 -0.634 -8.173 -11.713 1.00 0.00 N ATOM 457 CA TRP A 31 -0.367 -7.268 -12.817 1.00 0.00 C ATOM 458 C TRP A 31 0.424 -8.036 -13.878 1.00 0.00 C ATOM 459 O TRP A 31 1.101 -9.014 -13.565 1.00 0.00 O ATOM 460 CB TRP A 31 0.352 -6.008 -12.332 1.00 0.00 C ATOM 461 CG TRP A 31 -0.536 -5.053 -11.532 1.00 0.00 C ATOM 462 CD1 TRP A 31 -0.950 -5.179 -10.264 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.107 -3.813 -12.001 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.743 -4.114 -9.883 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.841 -3.258 -10.973 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.006 -3.181 -13.253 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.532 -2.046 -11.091 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.701 -1.970 -13.355 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.445 -1.398 -12.329 1.00 0.00 C ATOM 0 H TRP A 31 0.189 -8.646 -11.341 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.299 -6.918 -13.262 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.201 -6.302 -11.714 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.754 -5.477 -13.195 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.696 -6.009 -9.621 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.177 -3.981 -8.970 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.437 -3.597 -14.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.101 -1.633 -10.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.656 -1.443 -14.297 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.953 -0.458 -12.486 1.00 0.00 H new ATOM 480 N VAL A 32 0.311 -7.565 -15.112 1.00 0.00 N ATOM 481 CA VAL A 32 1.006 -8.196 -16.220 1.00 0.00 C ATOM 482 C VAL A 32 1.951 -7.182 -16.868 1.00 0.00 C ATOM 483 O VAL A 32 1.575 -6.494 -17.815 1.00 0.00 O ATOM 484 CB VAL A 32 -0.007 -8.783 -17.205 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.535 -8.746 -18.635 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.398 -10.207 -16.806 1.00 0.00 C ATOM 0 H VAL A 32 -0.252 -6.754 -15.368 1.00 0.00 H new ATOM 0 HA VAL A 32 1.615 -9.027 -15.865 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.905 -8.166 -17.169 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.204 -9.169 -19.315 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.741 -7.714 -18.919 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.455 -9.329 -18.691 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.119 -10.601 -17.523 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.490 -10.840 -16.799 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.844 -10.197 -15.811 1.00 0.00 H new ATOM 496 N ALA A 33 3.161 -7.122 -16.331 1.00 0.00 N ATOM 497 CA ALA A 33 4.162 -6.202 -16.843 1.00 0.00 C ATOM 498 C ALA A 33 4.686 -6.721 -18.183 1.00 0.00 C ATOM 499 O ALA A 33 5.465 -7.672 -18.223 1.00 0.00 O ATOM 500 CB ALA A 33 5.277 -6.032 -15.808 1.00 0.00 C ATOM 0 H ALA A 33 3.471 -7.696 -15.546 1.00 0.00 H new ATOM 0 HA ALA A 33 3.726 -5.218 -17.017 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.028 -5.342 -16.192 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.858 -5.634 -14.884 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.740 -6.999 -15.610 1.00 0.00 H new ATOM 506 N VAL A 34 4.237 -6.074 -19.249 1.00 0.00 N ATOM 507 CA VAL A 34 4.651 -6.457 -20.587 1.00 0.00 C ATOM 508 C VAL A 34 5.823 -5.578 -21.026 1.00 0.00 C ATOM 509 O VAL A 34 5.635 -4.605 -21.755 1.00 0.00 O ATOM 510 CB VAL A 34 3.459 -6.385 -21.544 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.873 -6.769 -22.967 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.307 -7.264 -21.052 1.00 0.00 C ATOM 0 H VAL A 34 3.590 -5.286 -19.212 1.00 0.00 H new ATOM 0 HA VAL A 34 4.998 -7.490 -20.598 1.00 0.00 H new ATOM 0 HB VAL A 34 3.108 -5.353 -21.565 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.007 -6.709 -23.626 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.645 -6.084 -23.319 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.262 -7.787 -22.970 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.473 -7.195 -21.750 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.641 -8.299 -20.988 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.985 -6.925 -20.067 1.00 0.00 H new ATOM 522 N VAL A 35 7.007 -5.951 -20.563 1.00 0.00 N ATOM 523 CA VAL A 35 8.210 -5.210 -20.899 1.00 0.00 C ATOM 524 C VAL A 35 8.195 -4.870 -22.391 1.00 0.00 C ATOM 525 O VAL A 35 8.392 -5.744 -23.233 1.00 0.00 O ATOM 526 CB VAL A 35 9.449 -6.004 -20.480 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.424 -7.413 -21.074 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.731 -5.266 -20.871 1.00 0.00 C ATOM 0 H VAL A 35 7.159 -6.758 -19.957 1.00 0.00 H new ATOM 0 HA VAL A 35 8.243 -4.268 -20.351 1.00 0.00 H new ATOM 0 HB VAL A 35 9.435 -6.099 -19.394 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.316 -7.956 -20.761 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.537 -7.940 -20.723 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.402 -7.349 -22.162 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.597 -5.852 -20.562 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.755 -5.126 -21.952 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.756 -4.294 -20.378 1.00 0.00 H new ATOM 538 N GLU A 36 7.958 -3.597 -22.672 1.00 0.00 N ATOM 539 CA GLU A 36 7.914 -3.130 -24.047 1.00 0.00 C ATOM 540 C GLU A 36 9.120 -2.236 -24.343 1.00 0.00 C ATOM 541 O GLU A 36 9.054 -1.021 -24.167 1.00 0.00 O ATOM 542 CB GLU A 36 6.603 -2.397 -24.336 1.00 0.00 C ATOM 543 CG GLU A 36 5.519 -3.372 -24.797 1.00 0.00 C ATOM 544 CD GLU A 36 5.583 -3.588 -26.310 1.00 0.00 C ATOM 545 OE1 GLU A 36 6.057 -2.707 -27.043 1.00 0.00 O ATOM 546 OE2 GLU A 36 5.119 -4.720 -26.719 1.00 0.00 O ATOM 0 H GLU A 36 7.794 -2.875 -21.971 1.00 0.00 H new ATOM 0 HA GLU A 36 7.959 -3.997 -24.706 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.269 -1.874 -23.440 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.767 -1.641 -25.104 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.641 -4.326 -24.284 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.537 -2.986 -24.522 1.00 0.00 H new ATOM 611 N PHE A 41 14.247 3.259 -25.040 1.00 0.00 N ATOM 612 CA PHE A 41 13.937 3.297 -23.620 1.00 0.00 C ATOM 613 C PHE A 41 13.482 1.924 -23.123 1.00 0.00 C ATOM 614 O PHE A 41 13.484 0.953 -23.879 1.00 0.00 O ATOM 615 CB PHE A 41 12.792 4.296 -23.440 1.00 0.00 C ATOM 616 CG PHE A 41 13.254 5.730 -23.175 1.00 0.00 C ATOM 617 CD1 PHE A 41 13.707 6.082 -21.942 1.00 0.00 C ATOM 618 CD2 PHE A 41 13.211 6.653 -24.173 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.136 7.413 -21.696 1.00 0.00 C ATOM 620 CE2 PHE A 41 13.639 7.985 -23.927 1.00 0.00 C ATOM 621 CZ PHE A 41 14.093 8.337 -22.693 1.00 0.00 C ATOM 0 HA PHE A 41 14.822 3.585 -23.052 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.170 4.285 -24.335 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.164 3.968 -22.611 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.740 5.349 -21.150 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.852 6.373 -25.152 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.497 7.692 -20.717 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.604 8.718 -24.719 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.419 9.349 -22.506 1.00 0.00 H new ATOM 631 N LEU A 42 13.106 1.885 -21.852 1.00 0.00 N ATOM 632 CA LEU A 42 12.650 0.647 -21.245 1.00 0.00 C ATOM 633 C LEU A 42 11.281 0.874 -20.601 1.00 0.00 C ATOM 634 O LEU A 42 11.195 1.301 -19.451 1.00 0.00 O ATOM 635 CB LEU A 42 13.704 0.105 -20.276 1.00 0.00 C ATOM 636 CG LEU A 42 14.973 -0.462 -20.914 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.675 -1.757 -21.673 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.652 0.581 -21.806 1.00 0.00 C ATOM 0 H LEU A 42 13.108 2.691 -21.227 1.00 0.00 H new ATOM 0 HA LEU A 42 12.522 -0.125 -22.004 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.990 0.907 -19.596 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.245 -0.677 -19.671 1.00 0.00 H new ATOM 0 HG LEU A 42 15.674 -0.710 -20.117 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.595 -2.139 -22.117 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.270 -2.498 -20.984 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.948 -1.558 -22.460 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.552 0.152 -22.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.967 0.883 -22.599 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.921 1.452 -21.208 1.00 0.00 H new ATOM 650 N ARG A 43 10.244 0.577 -21.370 1.00 0.00 N ATOM 651 CA ARG A 43 8.884 0.745 -20.889 1.00 0.00 C ATOM 652 C ARG A 43 8.279 -0.612 -20.524 1.00 0.00 C ATOM 653 O ARG A 43 8.409 -1.577 -21.276 1.00 0.00 O ATOM 654 CB ARG A 43 8.005 1.419 -21.945 1.00 0.00 C ATOM 655 CG ARG A 43 6.521 1.244 -21.617 1.00 0.00 C ATOM 656 CD ARG A 43 5.695 2.405 -22.175 1.00 0.00 C ATOM 657 NE ARG A 43 4.892 1.945 -23.329 1.00 0.00 N ATOM 658 CZ ARG A 43 4.386 2.766 -24.274 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.597 4.097 -24.210 1.00 0.00 N ATOM 660 NH2 ARG A 43 3.681 2.247 -25.263 1.00 0.00 N ATOM 0 H ARG A 43 10.319 0.221 -22.323 1.00 0.00 H new ATOM 0 HA ARG A 43 8.922 1.381 -20.004 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.246 2.481 -22.000 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.217 0.993 -22.926 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.161 0.304 -22.034 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.388 1.185 -20.537 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.039 2.801 -21.400 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.354 3.217 -22.481 1.00 0.00 H new ATOM 0 HE ARG A 43 4.709 0.945 -23.416 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.143 4.491 -23.443 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.211 4.710 -24.928 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.526 1.240 -25.305 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.292 2.853 -25.985 1.00 0.00 H new ATOM 673 N ALA A 44 7.631 -0.644 -19.369 1.00 0.00 N ATOM 674 CA ALA A 44 7.006 -1.867 -18.894 1.00 0.00 C ATOM 675 C ALA A 44 5.509 -1.624 -18.687 1.00 0.00 C ATOM 676 O ALA A 44 5.114 -0.913 -17.765 1.00 0.00 O ATOM 677 CB ALA A 44 7.703 -2.333 -17.613 1.00 0.00 C ATOM 0 H ALA A 44 7.525 0.158 -18.748 1.00 0.00 H new ATOM 0 HA ALA A 44 7.112 -2.663 -19.631 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.234 -3.250 -17.257 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.757 -2.521 -17.820 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.615 -1.560 -16.849 1.00 0.00 H new ATOM 683 N ARG A 45 4.718 -2.228 -19.562 1.00 0.00 N ATOM 684 CA ARG A 45 3.274 -2.085 -19.488 1.00 0.00 C ATOM 685 C ARG A 45 2.702 -3.028 -18.428 1.00 0.00 C ATOM 686 O ARG A 45 2.634 -4.238 -18.640 1.00 0.00 O ATOM 687 CB ARG A 45 2.620 -2.388 -20.837 1.00 0.00 C ATOM 688 CG ARG A 45 1.097 -2.287 -20.743 1.00 0.00 C ATOM 689 CD ARG A 45 0.422 -3.295 -21.676 1.00 0.00 C ATOM 690 NE ARG A 45 1.183 -3.403 -22.941 1.00 0.00 N ATOM 691 CZ ARG A 45 0.689 -3.936 -24.078 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.573 -4.414 -24.119 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.458 -3.982 -25.150 1.00 0.00 N ATOM 0 H ARG A 45 5.050 -2.817 -20.326 1.00 0.00 H new ATOM 0 HA ARG A 45 3.056 -1.052 -19.216 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.989 -1.690 -21.589 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.902 -3.388 -21.165 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.780 -2.468 -19.716 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.779 -1.277 -21.002 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.366 -4.270 -21.192 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.601 -2.982 -21.883 1.00 0.00 H new ATOM 0 HE ARG A 45 2.141 -3.053 -22.954 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.161 -4.374 -23.286 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.939 -4.815 -24.983 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.410 -3.618 -25.111 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.100 -4.382 -26.018 1.00 0.00 H new ATOM 706 N VAL A 46 2.305 -2.440 -17.309 1.00 0.00 N ATOM 707 CA VAL A 46 1.740 -3.213 -16.216 1.00 0.00 C ATOM 708 C VAL A 46 0.216 -3.234 -16.347 1.00 0.00 C ATOM 709 O VAL A 46 -0.449 -2.236 -16.071 1.00 0.00 O ATOM 710 CB VAL A 46 2.217 -2.649 -14.876 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.317 -3.754 -13.821 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.552 -1.919 -15.033 1.00 0.00 C ATOM 0 H VAL A 46 2.364 -1.437 -17.136 1.00 0.00 H new ATOM 0 HA VAL A 46 2.084 -4.246 -16.260 1.00 0.00 H new ATOM 0 HB VAL A 46 1.477 -1.925 -14.534 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.658 -3.327 -12.878 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.338 -4.211 -13.679 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.026 -4.512 -14.154 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.869 -1.528 -14.066 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.304 -2.613 -15.408 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.436 -1.095 -15.737 1.00 0.00 H new ATOM 722 N GLN A 47 -0.293 -4.384 -16.767 1.00 0.00 N ATOM 723 CA GLN A 47 -1.727 -4.549 -16.937 1.00 0.00 C ATOM 724 C GLN A 47 -2.302 -5.394 -15.798 1.00 0.00 C ATOM 725 O GLN A 47 -1.790 -6.471 -15.499 1.00 0.00 O ATOM 726 CB GLN A 47 -2.051 -5.168 -18.297 1.00 0.00 C ATOM 727 CG GLN A 47 -3.553 -5.419 -18.443 1.00 0.00 C ATOM 728 CD GLN A 47 -4.123 -4.655 -19.641 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.543 -3.515 -19.539 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.113 -5.346 -20.777 1.00 0.00 N ATOM 0 H GLN A 47 0.262 -5.209 -16.994 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.193 -3.564 -16.904 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.711 -4.505 -19.092 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.509 -6.107 -18.411 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.737 -6.486 -18.567 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.067 -5.111 -17.533 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.746 -6.298 -20.792 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.472 -4.924 -21.634 1.00 0.00 H new ATOM 739 N GLN A 48 -3.362 -4.874 -15.195 1.00 0.00 N ATOM 740 CA GLN A 48 -4.013 -5.568 -14.098 1.00 0.00 C ATOM 741 C GLN A 48 -5.112 -6.490 -14.631 1.00 0.00 C ATOM 742 O GLN A 48 -6.056 -6.029 -15.271 1.00 0.00 O ATOM 743 CB GLN A 48 -4.575 -4.577 -13.078 1.00 0.00 C ATOM 744 CG GLN A 48 -5.240 -5.308 -11.909 1.00 0.00 C ATOM 745 CD GLN A 48 -6.759 -5.352 -12.083 1.00 0.00 C ATOM 746 OE1 GLN A 48 -7.211 -6.481 -12.620 1.00 0.00 O flip ATOM 747 NE2 GLN A 48 -7.475 -4.421 -11.749 1.00 0.00 N flip ATOM 0 H GLN A 48 -3.785 -3.981 -15.446 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.269 -6.179 -13.588 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.773 -3.941 -12.704 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.301 -3.924 -13.563 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.849 -6.323 -11.840 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.992 -4.807 -10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.063 -3.581 -11.342 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.485 -4.483 -11.877 1.00 0.00 H new ATOM 756 N ILE A 49 -4.955 -7.774 -14.346 1.00 0.00 N ATOM 757 CA ILE A 49 -5.922 -8.763 -14.789 1.00 0.00 C ATOM 758 C ILE A 49 -5.988 -9.900 -13.767 1.00 0.00 C ATOM 759 O ILE A 49 -5.105 -10.030 -12.920 1.00 0.00 O ATOM 760 CB ILE A 49 -5.597 -9.231 -16.209 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.273 -9.997 -16.245 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.606 -8.056 -17.189 1.00 0.00 C ATOM 763 CD1 ILE A 49 -3.083 -9.034 -16.274 1.00 0.00 C ATOM 0 H ILE A 49 -4.172 -8.152 -13.813 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.918 -8.324 -14.842 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.377 -9.922 -16.527 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.200 -10.645 -15.372 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.245 -10.642 -17.124 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.372 -8.416 -18.191 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.592 -7.592 -17.191 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.860 -7.322 -16.884 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.154 -9.604 -16.299 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.146 -8.404 -17.161 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.100 -8.408 -15.382 1.00 0.00 H new ATOM 775 N GLN A 50 -7.042 -10.694 -13.880 1.00 0.00 N ATOM 776 CA GLN A 50 -7.234 -11.817 -12.977 1.00 0.00 C ATOM 777 C GLN A 50 -6.527 -13.060 -13.519 1.00 0.00 C ATOM 778 O GLN A 50 -7.026 -13.713 -14.435 1.00 0.00 O ATOM 779 CB GLN A 50 -8.722 -12.087 -12.748 1.00 0.00 C ATOM 780 CG GLN A 50 -9.504 -11.995 -14.059 1.00 0.00 C ATOM 781 CD GLN A 50 -10.070 -10.588 -14.263 1.00 0.00 C ATOM 782 OE1 GLN A 50 -9.629 -9.981 -15.361 1.00 0.00 O flip ATOM 783 NE2 GLN A 50 -10.855 -10.087 -13.475 1.00 0.00 N flip ATOM 0 H GLN A 50 -7.772 -10.582 -14.583 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.792 -11.564 -12.013 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.853 -13.077 -12.311 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.120 -11.368 -12.032 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.853 -12.253 -14.894 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.317 -12.721 -14.053 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.153 -10.609 -12.651 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.213 -9.146 -13.640 1.00 0.00 H new ATOM 792 N VAL A 51 -5.375 -13.351 -12.931 1.00 0.00 N ATOM 793 CA VAL A 51 -4.596 -14.507 -13.342 1.00 0.00 C ATOM 794 C VAL A 51 -3.807 -15.036 -12.143 1.00 0.00 C ATOM 795 O VAL A 51 -3.260 -14.259 -11.361 1.00 0.00 O ATOM 796 CB VAL A 51 -3.704 -14.141 -14.529 1.00 0.00 C ATOM 797 CG1 VAL A 51 -2.569 -13.212 -14.097 1.00 0.00 C ATOM 798 CG2 VAL A 51 -3.157 -15.396 -15.212 1.00 0.00 C ATOM 0 H VAL A 51 -4.963 -12.806 -12.174 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.252 -15.309 -13.680 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.316 -13.605 -15.255 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.950 -12.968 -14.960 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.987 -12.296 -13.680 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.959 -13.709 -13.343 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.526 -15.107 -16.053 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.569 -15.972 -14.498 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.986 -16.004 -15.573 1.00 0.00 H new ATOM 998 N SER A 65 15.608 -8.892 -17.498 1.00 0.00 N ATOM 999 CA SER A 65 16.672 -8.230 -16.763 1.00 0.00 C ATOM 1000 C SER A 65 16.524 -6.711 -16.882 1.00 0.00 C ATOM 1001 O SER A 65 17.518 -5.994 -16.989 1.00 0.00 O ATOM 1002 CB SER A 65 18.048 -8.670 -17.267 1.00 0.00 C ATOM 1003 OG SER A 65 18.510 -7.853 -18.338 1.00 0.00 O ATOM 0 HA SER A 65 16.591 -8.516 -15.714 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.764 -8.631 -16.446 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.998 -9.707 -17.598 1.00 0.00 H new ATOM 0 HG SER A 65 18.590 -6.926 -18.031 1.00 0.00 H new ATOM 1009 N GLN A 66 15.276 -6.267 -16.861 1.00 0.00 N ATOM 1010 CA GLN A 66 14.986 -4.847 -16.966 1.00 0.00 C ATOM 1011 C GLN A 66 14.118 -4.396 -15.790 1.00 0.00 C ATOM 1012 O GLN A 66 14.516 -3.525 -15.017 1.00 0.00 O ATOM 1013 CB GLN A 66 14.313 -4.522 -18.300 1.00 0.00 C ATOM 1014 CG GLN A 66 15.237 -4.849 -19.475 1.00 0.00 C ATOM 1015 CD GLN A 66 16.474 -3.948 -19.467 1.00 0.00 C ATOM 1016 OE1 GLN A 66 16.410 -2.764 -19.177 1.00 0.00 O ATOM 1017 NE2 GLN A 66 17.600 -4.572 -19.799 1.00 0.00 N ATOM 0 H GLN A 66 14.454 -6.865 -16.773 1.00 0.00 H new ATOM 0 HA GLN A 66 15.928 -4.299 -16.929 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.387 -5.090 -18.392 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.044 -3.466 -18.328 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.543 -5.894 -19.422 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.697 -4.723 -20.413 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.583 -5.565 -20.031 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.480 -4.058 -19.822 1.00 0.00 H new ATOM 1026 N LEU A 67 12.947 -5.008 -15.690 1.00 0.00 N ATOM 1027 CA LEU A 67 12.019 -4.681 -14.621 1.00 0.00 C ATOM 1028 C LEU A 67 12.629 -5.091 -13.278 1.00 0.00 C ATOM 1029 O LEU A 67 13.288 -6.125 -13.182 1.00 0.00 O ATOM 1030 CB LEU A 67 10.649 -5.304 -14.890 1.00 0.00 C ATOM 1031 CG LEU A 67 9.884 -4.749 -16.093 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.723 -4.847 -17.368 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.526 -5.438 -16.245 1.00 0.00 C ATOM 0 H LEU A 67 12.620 -5.729 -16.333 1.00 0.00 H new ATOM 0 HA LEU A 67 11.850 -3.605 -14.580 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.781 -6.377 -15.032 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.032 -5.174 -14.001 1.00 0.00 H new ATOM 0 HG LEU A 67 9.690 -3.691 -15.916 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.156 -4.446 -18.208 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.642 -4.274 -17.244 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.970 -5.891 -17.562 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.003 -5.025 -17.107 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.675 -6.508 -16.389 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.931 -5.272 -15.347 1.00 0.00 H new ATOM 1045 N PRO A 68 12.381 -4.238 -12.248 1.00 0.00 N ATOM 1046 CA PRO A 68 12.897 -4.502 -10.916 1.00 0.00 C ATOM 1047 C PRO A 68 12.102 -5.615 -10.231 1.00 0.00 C ATOM 1048 O PRO A 68 11.052 -6.027 -10.723 1.00 0.00 O ATOM 1049 CB PRO A 68 12.805 -3.171 -10.188 1.00 0.00 C ATOM 1050 CG PRO A 68 11.817 -2.331 -10.979 1.00 0.00 C ATOM 1051 CD PRO A 68 11.605 -3.003 -12.325 1.00 0.00 C ATOM 0 HA PRO A 68 13.925 -4.864 -10.927 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.466 -3.310 -9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.779 -2.685 -10.138 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.872 -2.246 -10.442 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.199 -1.319 -11.114 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.550 -3.209 -12.503 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.949 -2.369 -13.143 1.00 0.00 H new ATOM 1059 N LEU A 69 12.633 -6.071 -9.106 1.00 0.00 N ATOM 1060 CA LEU A 69 11.987 -7.129 -8.348 1.00 0.00 C ATOM 1061 C LEU A 69 10.814 -6.542 -7.560 1.00 0.00 C ATOM 1062 O LEU A 69 10.022 -7.280 -6.977 1.00 0.00 O ATOM 1063 CB LEU A 69 13.007 -7.864 -7.477 1.00 0.00 C ATOM 1064 CG LEU A 69 12.834 -9.381 -7.376 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.609 -9.739 -6.532 1.00 0.00 C ATOM 1066 CD2 LEU A 69 12.779 -10.020 -8.766 1.00 0.00 C ATOM 0 H LEU A 69 13.504 -5.727 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 69 11.575 -7.882 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.004 -7.657 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.965 -7.446 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 69 13.706 -9.791 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.510 -10.823 -6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.728 -9.334 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.715 -9.316 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.656 -11.098 -8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.937 -9.608 -9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.705 -9.809 -9.300 1.00 0.00 H new ATOM 1078 N MET A 70 10.740 -5.219 -7.569 1.00 0.00 N ATOM 1079 CA MET A 70 9.677 -4.524 -6.862 1.00 0.00 C ATOM 1080 C MET A 70 9.672 -3.034 -7.208 1.00 0.00 C ATOM 1081 O MET A 70 10.730 -2.428 -7.375 1.00 0.00 O ATOM 1082 CB MET A 70 9.866 -4.699 -5.354 1.00 0.00 C ATOM 1083 CG MET A 70 8.883 -3.824 -4.573 1.00 0.00 C ATOM 1084 SD MET A 70 9.778 -2.665 -3.552 1.00 0.00 S ATOM 1085 CE MET A 70 8.648 -2.528 -2.176 1.00 0.00 C ATOM 0 H MET A 70 11.399 -4.610 -8.055 1.00 0.00 H new ATOM 0 HA MET A 70 8.722 -4.952 -7.168 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.721 -5.745 -5.085 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.888 -4.438 -5.079 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.233 -3.287 -5.264 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.241 -4.449 -3.952 1.00 0.00 H new ATOM 0 HE1 MET A 70 9.063 -1.850 -1.430 1.00 0.00 H new ATOM 0 HE2 MET A 70 7.692 -2.139 -2.527 1.00 0.00 H new ATOM 0 HE3 MET A 70 8.498 -3.511 -1.729 1.00 0.00 H new ATOM 1095 N TRP A 71 8.470 -2.485 -7.304 1.00 0.00 N ATOM 1096 CA TRP A 71 8.315 -1.077 -7.624 1.00 0.00 C ATOM 1097 C TRP A 71 7.815 -0.358 -6.369 1.00 0.00 C ATOM 1098 O TRP A 71 7.197 -0.974 -5.501 1.00 0.00 O ATOM 1099 CB TRP A 71 7.390 -0.888 -8.828 1.00 0.00 C ATOM 1100 CG TRP A 71 8.115 -0.887 -10.176 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.219 -0.207 -10.518 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.742 -1.631 -11.354 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.582 -0.459 -11.826 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.655 -1.353 -12.350 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.667 -2.512 -11.571 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.587 -1.913 -13.632 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.613 -3.063 -12.857 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.525 -2.793 -13.871 1.00 0.00 C ATOM 0 H TRP A 71 7.595 -2.990 -7.166 1.00 0.00 H new ATOM 0 HA TRP A 71 9.270 -0.641 -7.918 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.644 -1.683 -8.829 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.852 0.053 -8.716 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.756 0.454 -9.854 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.383 -0.062 -12.318 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.941 -2.745 -10.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.315 -1.679 -14.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.806 -3.746 -13.077 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.415 -3.260 -14.839 1.00 0.00 H new ATOM 1119 N GLN A 72 8.101 0.934 -6.312 1.00 0.00 N ATOM 1120 CA GLN A 72 7.687 1.743 -5.178 1.00 0.00 C ATOM 1121 C GLN A 72 7.142 3.090 -5.658 1.00 0.00 C ATOM 1122 O GLN A 72 7.908 4.002 -5.962 1.00 0.00 O ATOM 1123 CB GLN A 72 8.842 1.938 -4.194 1.00 0.00 C ATOM 1124 CG GLN A 72 8.319 2.275 -2.795 1.00 0.00 C ATOM 1125 CD GLN A 72 8.054 1.002 -1.989 1.00 0.00 C ATOM 1126 OE1 GLN A 72 8.855 0.576 -1.171 1.00 0.00 O ATOM 1127 NE2 GLN A 72 6.890 0.420 -2.262 1.00 0.00 N ATOM 0 H GLN A 72 8.615 1.441 -7.033 1.00 0.00 H new ATOM 0 HA GLN A 72 6.890 1.217 -4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.446 1.031 -4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.493 2.739 -4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.045 2.897 -2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.401 2.856 -2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.266 0.829 -2.958 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.621 -0.435 -1.776 1.00 0.00 H new ATOM 1136 N LEU A 73 5.820 3.172 -5.710 1.00 0.00 N ATOM 1137 CA LEU A 73 5.163 4.393 -6.145 1.00 0.00 C ATOM 1138 C LEU A 73 5.723 5.578 -5.357 1.00 0.00 C ATOM 1139 O LEU A 73 5.510 5.681 -4.149 1.00 0.00 O ATOM 1140 CB LEU A 73 3.643 4.249 -6.043 1.00 0.00 C ATOM 1141 CG LEU A 73 2.834 5.533 -6.235 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.312 6.303 -7.468 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.334 5.232 -6.294 1.00 0.00 C ATOM 0 H LEU A 73 5.187 2.413 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 73 5.372 4.583 -7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.316 3.522 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.402 3.834 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 73 3.001 6.174 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.720 7.211 -7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.363 6.567 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.194 5.680 -8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.781 6.162 -6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.130 4.562 -7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.021 4.758 -5.364 1.00 0.00 H new ATOM 1155 N TYR A 74 6.427 6.443 -6.070 1.00 0.00 N ATOM 1156 CA TYR A 74 7.019 7.617 -5.451 1.00 0.00 C ATOM 1157 C TYR A 74 6.138 8.850 -5.659 1.00 0.00 C ATOM 1158 O TYR A 74 5.071 8.760 -6.265 1.00 0.00 O ATOM 1159 CB TYR A 74 8.358 7.837 -6.160 1.00 0.00 C ATOM 1160 CG TYR A 74 9.576 7.714 -5.241 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.644 6.687 -4.321 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.605 8.629 -5.334 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.791 6.571 -3.457 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.751 8.513 -4.470 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.788 7.490 -3.574 1.00 0.00 C ATOM 1166 OH TYR A 74 12.869 7.379 -2.758 1.00 0.00 O ATOM 0 H TYR A 74 6.601 6.355 -7.071 1.00 0.00 H new ATOM 0 HA TYR A 74 7.133 7.468 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.452 7.113 -6.970 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.358 8.827 -6.616 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.838 5.971 -4.249 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.551 9.432 -6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.858 5.773 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.563 9.222 -4.532 1.00 0.00 H new ATOM 0 HH TYR A 74 13.635 7.051 -3.273 1.00 0.00 H new ATOM 1176 N PRO A 75 6.629 10.004 -5.131 1.00 0.00 N ATOM 1177 CA PRO A 75 5.897 11.253 -5.252 1.00 0.00 C ATOM 1178 C PRO A 75 6.005 11.816 -6.671 1.00 0.00 C ATOM 1179 O PRO A 75 6.724 11.270 -7.506 1.00 0.00 O ATOM 1180 CB PRO A 75 6.505 12.168 -4.201 1.00 0.00 C ATOM 1181 CG PRO A 75 7.855 11.562 -3.852 1.00 0.00 C ATOM 1182 CD PRO A 75 7.888 10.147 -4.408 1.00 0.00 C ATOM 0 HA PRO A 75 4.827 11.132 -5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.619 13.182 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.866 12.231 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.663 12.158 -4.277 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.001 11.551 -2.772 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.743 10.001 -5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.972 9.410 -3.610 1.00 0.00 H new ATOM 1190 N GLU A 76 5.278 12.900 -6.899 1.00 0.00 N ATOM 1191 CA GLU A 76 5.284 13.544 -8.202 1.00 0.00 C ATOM 1192 C GLU A 76 4.389 12.777 -9.176 1.00 0.00 C ATOM 1193 O GLU A 76 3.240 13.157 -9.399 1.00 0.00 O ATOM 1194 CB GLU A 76 6.709 13.667 -8.746 1.00 0.00 C ATOM 1195 CG GLU A 76 7.059 15.127 -9.041 1.00 0.00 C ATOM 1196 CD GLU A 76 8.083 15.658 -8.038 1.00 0.00 C ATOM 1197 OE1 GLU A 76 7.716 16.026 -6.912 1.00 0.00 O ATOM 1198 OE2 GLU A 76 9.301 15.680 -8.463 1.00 0.00 O ATOM 0 H GLU A 76 4.681 13.348 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 76 4.885 14.552 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.415 13.259 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.807 13.075 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.457 15.212 -10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.156 15.736 -9.002 1.00 0.00 H new ATOM 1206 N GLU A 77 4.948 11.712 -9.730 1.00 0.00 N ATOM 1207 CA GLU A 77 4.214 10.888 -10.676 1.00 0.00 C ATOM 1208 C GLU A 77 5.155 9.888 -11.352 1.00 0.00 C ATOM 1209 O GLU A 77 5.246 9.846 -12.577 1.00 0.00 O ATOM 1210 CB GLU A 77 3.495 11.752 -11.715 1.00 0.00 C ATOM 1211 CG GLU A 77 2.587 10.900 -12.604 1.00 0.00 C ATOM 1212 CD GLU A 77 1.864 11.765 -13.638 1.00 0.00 C ATOM 1213 OE1 GLU A 77 2.484 12.215 -14.613 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.611 11.964 -13.402 1.00 0.00 O ATOM 0 H GLU A 77 5.901 11.400 -9.542 1.00 0.00 H new ATOM 0 HA GLU A 77 3.455 10.330 -10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.903 12.516 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.229 12.272 -12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.180 10.139 -13.112 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.856 10.376 -11.988 1.00 0.00 H new ATOM 1222 N ARG A 78 5.831 9.107 -10.522 1.00 0.00 N ATOM 1223 CA ARG A 78 6.762 8.111 -11.023 1.00 0.00 C ATOM 1224 C ARG A 78 6.930 6.981 -10.004 1.00 0.00 C ATOM 1225 O ARG A 78 6.582 7.138 -8.835 1.00 0.00 O ATOM 1226 CB ARG A 78 8.129 8.732 -11.315 1.00 0.00 C ATOM 1227 CG ARG A 78 8.027 9.786 -12.420 1.00 0.00 C ATOM 1228 CD ARG A 78 7.605 11.141 -11.847 1.00 0.00 C ATOM 1229 NE ARG A 78 8.737 12.092 -11.908 1.00 0.00 N ATOM 1230 CZ ARG A 78 8.596 13.432 -11.977 1.00 0.00 C ATOM 1231 NH1 ARG A 78 7.367 13.993 -11.996 1.00 0.00 N ATOM 1232 NH2 ARG A 78 9.677 14.188 -12.027 1.00 0.00 N ATOM 0 H ARG A 78 5.752 9.144 -9.506 1.00 0.00 H new ATOM 0 HA ARG A 78 6.352 7.711 -11.950 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.527 9.188 -10.408 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.830 7.953 -11.614 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.988 9.884 -12.924 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.305 9.463 -13.170 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.758 11.535 -12.409 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.275 11.022 -10.815 1.00 0.00 H new ATOM 0 HE ARG A 78 9.683 11.711 -11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.536 13.402 -11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.270 15.007 -12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.602 13.757 -12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.588 15.203 -12.079 1.00 0.00 H new ATOM 1245 N TYR A 79 7.463 5.868 -10.486 1.00 0.00 N ATOM 1246 CA TYR A 79 7.680 4.712 -9.632 1.00 0.00 C ATOM 1247 C TYR A 79 9.174 4.474 -9.403 1.00 0.00 C ATOM 1248 O TYR A 79 9.937 4.333 -10.358 1.00 0.00 O ATOM 1249 CB TYR A 79 7.094 3.516 -10.384 1.00 0.00 C ATOM 1250 CG TYR A 79 5.639 3.207 -10.024 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.756 4.239 -9.772 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.210 1.898 -9.951 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.388 3.949 -9.434 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.840 1.608 -9.612 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.997 2.647 -9.370 1.00 0.00 C ATOM 1256 OH TYR A 79 1.703 2.372 -9.051 1.00 0.00 O ATOM 0 H TYR A 79 7.751 5.742 -11.456 1.00 0.00 H new ATOM 0 HA TYR A 79 7.215 4.861 -8.658 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.160 3.706 -11.455 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.703 2.636 -10.178 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.093 5.264 -9.829 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.900 1.091 -10.148 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.687 4.746 -9.236 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.490 0.588 -9.551 1.00 0.00 H new ATOM 0 HH TYR A 79 1.664 1.542 -8.531 1.00 0.00 H new ATOM 1266 N MET A 80 9.546 4.434 -8.133 1.00 0.00 N ATOM 1267 CA MET A 80 10.936 4.214 -7.766 1.00 0.00 C ATOM 1268 C MET A 80 11.176 2.753 -7.381 1.00 0.00 C ATOM 1269 O MET A 80 10.561 2.245 -6.445 1.00 0.00 O ATOM 1270 CB MET A 80 11.303 5.120 -6.589 1.00 0.00 C ATOM 1271 CG MET A 80 12.779 4.966 -6.218 1.00 0.00 C ATOM 1272 SD MET A 80 13.487 6.563 -5.853 1.00 0.00 S ATOM 1273 CE MET A 80 14.840 6.576 -7.018 1.00 0.00 C ATOM 0 H MET A 80 8.910 4.550 -7.344 1.00 0.00 H new ATOM 0 HA MET A 80 11.562 4.451 -8.626 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.096 6.159 -6.846 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.681 4.874 -5.729 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.879 4.309 -5.354 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.322 4.498 -7.039 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.155 7.604 -7.198 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.676 6.006 -6.612 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.516 6.126 -7.956 1.00 0.00 H new ATOM 1283 N ASP A 81 12.073 2.119 -8.122 1.00 0.00 N ATOM 1284 CA ASP A 81 12.402 0.727 -7.870 1.00 0.00 C ATOM 1285 C ASP A 81 13.485 0.650 -6.792 1.00 0.00 C ATOM 1286 O ASP A 81 13.859 1.667 -6.209 1.00 0.00 O ATOM 1287 CB ASP A 81 12.943 0.051 -9.132 1.00 0.00 C ATOM 1288 CG ASP A 81 14.339 0.507 -9.561 1.00 0.00 C ATOM 1289 OD1 ASP A 81 14.824 0.146 -10.644 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.946 1.273 -8.720 1.00 0.00 O ATOM 0 H ASP A 81 12.582 2.544 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 81 11.492 0.219 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.963 -1.027 -8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.249 0.236 -9.952 1.00 0.00 H new ATOM 1296 N ASN A 82 13.959 -0.565 -6.558 1.00 0.00 N ATOM 1297 CA ASN A 82 14.990 -0.788 -5.560 1.00 0.00 C ATOM 1298 C ASN A 82 16.306 -1.133 -6.260 1.00 0.00 C ATOM 1299 O ASN A 82 17.318 -1.374 -5.604 1.00 0.00 O ATOM 1300 CB ASN A 82 14.624 -1.954 -4.641 1.00 0.00 C ATOM 1301 CG ASN A 82 14.733 -1.548 -3.170 1.00 0.00 C ATOM 1302 OD1 ASN A 82 15.766 -1.684 -2.536 1.00 0.00 O ATOM 1303 ND2 ASN A 82 13.612 -1.041 -2.664 1.00 0.00 N ATOM 0 H ASN A 82 13.647 -1.406 -7.043 1.00 0.00 H new ATOM 0 HA ASN A 82 15.087 0.122 -4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.608 -2.286 -4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.284 -2.799 -4.839 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.583 -0.739 -1.690 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.781 -0.955 -3.250 1.00 0.00 H new ATOM 1310 N ASN A 83 16.249 -1.148 -7.584 1.00 0.00 N ATOM 1311 CA ASN A 83 17.423 -1.460 -8.380 1.00 0.00 C ATOM 1312 C ASN A 83 18.311 -0.219 -8.481 1.00 0.00 C ATOM 1313 O ASN A 83 19.402 -0.274 -9.048 1.00 0.00 O ATOM 1314 CB ASN A 83 17.032 -1.878 -9.799 1.00 0.00 C ATOM 1315 CG ASN A 83 18.071 -2.828 -10.398 1.00 0.00 C ATOM 1316 OD1 ASN A 83 19.096 -2.419 -10.919 1.00 0.00 O ATOM 1317 ND2 ASN A 83 17.751 -4.114 -10.295 1.00 0.00 N ATOM 0 H ASN A 83 15.408 -0.949 -8.125 1.00 0.00 H new ATOM 0 HA ASN A 83 17.950 -2.281 -7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.057 -2.364 -9.783 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.937 -0.994 -10.429 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.380 -4.827 -10.664 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.877 -4.388 -9.847 1.00 0.00 H new ATOM 1324 N SER A 84 17.811 0.874 -7.922 1.00 0.00 N ATOM 1325 CA SER A 84 18.546 2.128 -7.942 1.00 0.00 C ATOM 1326 C SER A 84 18.160 2.940 -9.180 1.00 0.00 C ATOM 1327 O SER A 84 19.001 3.617 -9.770 1.00 0.00 O ATOM 1328 CB SER A 84 20.055 1.883 -7.918 1.00 0.00 C ATOM 1329 OG SER A 84 20.764 2.972 -7.334 1.00 0.00 O ATOM 0 H SER A 84 16.906 0.917 -7.453 1.00 0.00 H new ATOM 0 HA SER A 84 18.283 2.693 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.265 0.972 -7.358 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.412 1.722 -8.935 1.00 0.00 H new ATOM 0 HG SER A 84 21.724 2.776 -7.336 1.00 0.00 H new ATOM 1335 N ARG A 85 16.887 2.848 -9.537 1.00 0.00 N ATOM 1336 CA ARG A 85 16.379 3.566 -10.694 1.00 0.00 C ATOM 1337 C ARG A 85 14.963 4.077 -10.421 1.00 0.00 C ATOM 1338 O ARG A 85 14.302 3.620 -9.490 1.00 0.00 O ATOM 1339 CB ARG A 85 16.362 2.671 -11.933 1.00 0.00 C ATOM 1340 CG ARG A 85 17.779 2.241 -12.320 1.00 0.00 C ATOM 1341 CD ARG A 85 18.320 3.100 -13.464 1.00 0.00 C ATOM 1342 NE ARG A 85 19.761 2.829 -13.663 1.00 0.00 N ATOM 1343 CZ ARG A 85 20.741 3.329 -12.881 1.00 0.00 C ATOM 1344 NH1 ARG A 85 20.442 4.133 -11.838 1.00 0.00 N ATOM 1345 NH2 ARG A 85 21.996 3.020 -13.151 1.00 0.00 N ATOM 0 H ARG A 85 16.192 2.287 -9.045 1.00 0.00 H new ATOM 0 HA ARG A 85 17.044 4.410 -10.880 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.751 1.789 -11.740 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.900 3.204 -12.764 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.437 2.325 -11.455 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.776 1.193 -12.618 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.771 2.886 -14.381 1.00 0.00 H new ATOM 0 HD3 ARG A 85 18.168 4.156 -13.240 1.00 0.00 H new ATOM 0 HE ARG A 85 20.031 2.226 -14.440 1.00 0.00 H new ATOM 0 HH11 ARG A 85 19.470 4.366 -11.636 1.00 0.00 H new ATOM 0 HH12 ARG A 85 21.188 4.507 -11.252 1.00 0.00 H new ATOM 0 HH21 ARG A 85 22.213 2.412 -13.941 1.00 0.00 H new ATOM 0 HH22 ARG A 85 22.749 3.389 -12.570 1.00 0.00 H new ATOM 1358 N LEU A 86 14.538 5.018 -11.251 1.00 0.00 N ATOM 1359 CA LEU A 86 13.213 5.596 -11.112 1.00 0.00 C ATOM 1360 C LEU A 86 12.468 5.480 -12.443 1.00 0.00 C ATOM 1361 O LEU A 86 12.929 5.990 -13.463 1.00 0.00 O ATOM 1362 CB LEU A 86 13.305 7.028 -10.582 1.00 0.00 C ATOM 1363 CG LEU A 86 12.132 7.503 -9.721 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.349 8.939 -9.241 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.806 7.343 -10.468 1.00 0.00 C ATOM 0 H LEU A 86 15.089 5.395 -12.023 1.00 0.00 H new ATOM 0 HA LEU A 86 12.633 5.044 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.220 7.119 -9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.402 7.703 -11.432 1.00 0.00 H new ATOM 0 HG LEU A 86 12.082 6.872 -8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.501 9.251 -8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.261 8.990 -8.647 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.440 9.601 -10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.988 7.687 -9.835 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.830 7.934 -11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.654 6.293 -10.718 1.00 0.00 H new ATOM 1377 N TRP A 87 11.328 4.808 -12.391 1.00 0.00 N ATOM 1378 CA TRP A 87 10.516 4.617 -13.580 1.00 0.00 C ATOM 1379 C TRP A 87 9.431 5.696 -13.591 1.00 0.00 C ATOM 1380 O TRP A 87 8.835 5.992 -12.556 1.00 0.00 O ATOM 1381 CB TRP A 87 9.947 3.198 -13.635 1.00 0.00 C ATOM 1382 CG TRP A 87 11.012 2.099 -13.629 1.00 0.00 C ATOM 1383 CD1 TRP A 87 12.063 1.973 -12.806 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.087 0.970 -14.525 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.807 0.850 -13.106 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.195 0.221 -14.183 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.247 0.594 -15.587 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.564 -0.951 -14.855 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.629 -0.579 -16.248 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.742 -1.345 -15.917 1.00 0.00 C ATOM 0 H TRP A 87 10.947 4.389 -11.543 1.00 0.00 H new ATOM 0 HA TRP A 87 11.122 4.723 -14.480 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.283 3.051 -12.783 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.339 3.096 -14.534 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.298 2.663 -12.009 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.651 0.539 -12.625 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.375 1.165 -15.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.436 -1.520 -14.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 10.017 -0.913 -17.073 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.971 -2.240 -16.477 1.00 0.00 H new ATOM 1401 N GLN A 88 9.210 6.256 -14.772 1.00 0.00 N ATOM 1402 CA GLN A 88 8.208 7.296 -14.931 1.00 0.00 C ATOM 1403 C GLN A 88 6.902 6.699 -15.457 1.00 0.00 C ATOM 1404 O GLN A 88 6.895 6.021 -16.483 1.00 0.00 O ATOM 1405 CB GLN A 88 8.714 8.407 -15.852 1.00 0.00 C ATOM 1406 CG GLN A 88 7.553 9.255 -16.379 1.00 0.00 C ATOM 1407 CD GLN A 88 7.962 10.723 -16.512 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.122 11.058 -16.685 1.00 0.00 O ATOM 1409 NE2 GLN A 88 6.947 11.577 -16.420 1.00 0.00 N ATOM 0 H GLN A 88 9.708 6.009 -15.627 1.00 0.00 H new ATOM 0 HA GLN A 88 8.014 7.739 -13.954 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.416 9.041 -15.311 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.259 7.970 -16.689 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.231 8.874 -17.348 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.701 9.171 -15.704 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.999 11.229 -16.275 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.116 12.580 -16.495 1.00 0.00 H new ATOM 1418 N ILE A 89 5.828 6.975 -14.732 1.00 0.00 N ATOM 1419 CA ILE A 89 4.518 6.474 -15.113 1.00 0.00 C ATOM 1420 C ILE A 89 4.121 7.073 -16.464 1.00 0.00 C ATOM 1421 O ILE A 89 3.576 8.174 -16.521 1.00 0.00 O ATOM 1422 CB ILE A 89 3.501 6.734 -14.001 1.00 0.00 C ATOM 1423 CG1 ILE A 89 3.968 6.127 -12.676 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.111 6.234 -14.401 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.870 4.601 -12.707 1.00 0.00 C ATOM 0 H ILE A 89 5.838 7.539 -13.882 1.00 0.00 H new ATOM 0 HA ILE A 89 4.546 5.392 -15.240 1.00 0.00 H new ATOM 0 HB ILE A 89 3.426 7.811 -13.853 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.998 6.425 -12.478 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.361 6.517 -11.859 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.407 6.431 -13.593 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.783 6.752 -15.302 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.151 5.162 -14.594 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.208 4.195 -11.753 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.835 4.306 -12.880 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.497 4.212 -13.509 1.00 0.00 H new ATOM 1437 N GLN A 90 4.409 6.322 -17.516 1.00 0.00 N ATOM 1438 CA GLN A 90 4.090 6.766 -18.863 1.00 0.00 C ATOM 1439 C GLN A 90 2.605 7.121 -18.965 1.00 0.00 C ATOM 1440 O GLN A 90 2.247 8.155 -19.526 1.00 0.00 O ATOM 1441 CB GLN A 90 4.472 5.705 -19.895 1.00 0.00 C ATOM 1442 CG GLN A 90 5.518 6.243 -20.873 1.00 0.00 C ATOM 1443 CD GLN A 90 4.853 6.986 -22.034 1.00 0.00 C ATOM 1444 OE1 GLN A 90 3.644 6.985 -22.194 1.00 0.00 O ATOM 1445 NE2 GLN A 90 5.708 7.619 -22.832 1.00 0.00 N ATOM 0 H GLN A 90 4.860 5.409 -17.464 1.00 0.00 H new ATOM 0 HA GLN A 90 4.674 7.661 -19.078 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.863 4.823 -19.388 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.584 5.390 -20.443 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.199 6.914 -20.350 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.117 5.419 -21.260 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.709 7.579 -22.641 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.363 8.144 -23.635 1.00 0.00 H new ATOM 1454 N HIS A 91 1.779 6.243 -18.413 1.00 0.00 N ATOM 1455 CA HIS A 91 0.341 6.450 -18.436 1.00 0.00 C ATOM 1456 C HIS A 91 -0.344 5.380 -17.583 1.00 0.00 C ATOM 1457 O HIS A 91 0.000 4.202 -17.664 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.179 6.485 -19.874 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.849 5.206 -20.317 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -0.524 4.560 -21.497 1.00 0.00 N ATOM 1461 CD2 HIS A 91 -1.827 4.461 -19.726 1.00 0.00 C ATOM 1462 CE1 HIS A 91 -1.280 3.476 -21.601 1.00 0.00 C ATOM 1463 NE2 HIS A 91 -2.086 3.417 -20.503 1.00 0.00 N ATOM 0 H HIS A 91 2.079 5.387 -17.947 1.00 0.00 H new ATOM 0 HA HIS A 91 0.102 7.420 -18.001 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.888 7.307 -19.973 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.653 6.698 -20.545 1.00 0.00 H new ATOM 0 HD1 HIS A 91 0.177 4.866 -22.171 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.309 4.683 -18.785 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.261 2.764 -22.413 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.302 5.829 -16.786 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.039 4.926 -15.919 1.00 0.00 C ATOM 1473 C HIS A 92 -3.540 5.181 -16.069 1.00 0.00 C ATOM 1474 O HIS A 92 -4.025 6.263 -15.741 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.558 5.048 -14.472 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.326 4.191 -13.494 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.521 2.841 -13.454 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -3.000 4.716 -12.405 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.271 2.557 -12.397 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.570 3.717 -11.746 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.585 6.807 -16.722 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.850 3.895 -16.217 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.503 4.777 -14.427 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.632 6.090 -14.162 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -2.153 2.165 -14.123 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.053 5.761 -12.138 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.592 1.569 -12.101 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.234 4.167 -16.563 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.671 4.269 -16.761 1.00 0.00 C ATOM 1490 C LEU A 93 -6.291 2.873 -16.678 1.00 0.00 C ATOM 1491 O LEU A 93 -5.588 1.888 -16.458 1.00 0.00 O ATOM 1492 CB LEU A 93 -5.981 5.004 -18.066 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.840 4.183 -19.349 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.629 5.092 -20.561 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.728 3.141 -19.213 1.00 0.00 C ATOM 0 H LEU A 93 -3.829 3.270 -16.832 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.124 4.868 -15.971 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.001 5.384 -18.012 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.322 5.869 -18.138 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.771 3.641 -19.512 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.532 4.483 -21.460 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.483 5.761 -20.667 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.722 5.680 -20.421 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.648 2.571 -20.139 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.781 3.643 -19.014 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.961 2.466 -18.390 1.00 0.00 H new ATOM 1507 N MET A 94 -7.604 2.833 -16.860 1.00 0.00 N ATOM 1508 CA MET A 94 -8.328 1.574 -16.808 1.00 0.00 C ATOM 1509 C MET A 94 -9.211 1.399 -18.045 1.00 0.00 C ATOM 1510 O MET A 94 -9.937 2.315 -18.429 1.00 0.00 O ATOM 1511 CB MET A 94 -9.197 1.536 -15.550 1.00 0.00 C ATOM 1512 CG MET A 94 -10.305 0.489 -15.681 1.00 0.00 C ATOM 1513 SD MET A 94 -10.746 -0.138 -14.068 1.00 0.00 S ATOM 1514 CE MET A 94 -9.705 -1.586 -14.003 1.00 0.00 C ATOM 0 H MET A 94 -8.184 3.652 -17.043 1.00 0.00 H new ATOM 0 HA MET A 94 -7.603 0.760 -16.784 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.578 1.309 -14.682 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.638 2.518 -15.378 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.179 0.930 -16.160 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.970 -0.329 -16.319 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.327 -2.481 -13.978 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.065 -1.614 -14.885 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.086 -1.549 -13.107 1.00 0.00 H new ATOM 1524 N VAL A 95 -9.121 0.216 -18.635 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.901 -0.090 -19.821 1.00 0.00 C ATOM 1526 C VAL A 95 -10.484 -1.499 -19.694 1.00 0.00 C ATOM 1527 O VAL A 95 -9.806 -2.416 -19.231 1.00 0.00 O ATOM 1528 CB VAL A 95 -9.042 0.089 -21.075 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -9.738 -0.497 -22.305 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -8.690 1.562 -21.292 1.00 0.00 C ATOM 0 H VAL A 95 -8.519 -0.542 -18.313 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.738 0.602 -19.915 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.112 -0.459 -20.925 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.106 -0.356 -23.182 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.913 -1.562 -22.151 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.691 0.009 -22.459 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.079 1.662 -22.189 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.606 2.141 -21.410 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.134 1.934 -20.431 1.00 0.00 H new ATOM 1540 N ARG A 96 -11.736 -1.628 -20.110 1.00 0.00 N ATOM 1541 CA ARG A 96 -12.417 -2.910 -20.047 1.00 0.00 C ATOM 1542 C ARG A 96 -12.247 -3.533 -18.660 1.00 0.00 C ATOM 1543 O ARG A 96 -12.091 -4.747 -18.537 1.00 0.00 O ATOM 1544 CB ARG A 96 -11.875 -3.875 -21.102 1.00 0.00 C ATOM 1545 CG ARG A 96 -12.628 -3.719 -22.426 1.00 0.00 C ATOM 1546 CD ARG A 96 -11.853 -4.363 -23.577 1.00 0.00 C ATOM 1547 NE ARG A 96 -12.338 -3.836 -24.871 1.00 0.00 N ATOM 1548 CZ ARG A 96 -13.396 -4.338 -25.543 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -14.088 -5.385 -25.048 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -13.742 -3.789 -26.693 1.00 0.00 N ATOM 0 H ARG A 96 -12.296 -0.866 -20.492 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.475 -2.733 -20.243 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.813 -3.688 -21.259 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.969 -4.900 -20.745 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.613 -4.178 -22.344 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.786 -2.661 -22.636 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.788 -4.159 -23.468 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.975 -5.446 -23.547 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.843 -3.044 -25.281 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.813 -5.804 -24.159 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.886 -5.758 -25.562 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.213 -2.998 -27.060 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.539 -4.156 -27.214 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.285 -2.675 -17.652 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.136 -3.127 -16.279 1.00 0.00 C ATOM 1565 C GLY A 97 -10.711 -3.619 -16.014 1.00 0.00 C ATOM 1566 O GLY A 97 -10.477 -4.374 -15.072 1.00 0.00 O ATOM 0 H GLY A 97 -12.417 -1.669 -17.758 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.376 -2.312 -15.596 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.845 -3.930 -16.078 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.798 -3.171 -16.863 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.403 -3.556 -16.731 1.00 0.00 C ATOM 1572 C VAL A 98 -7.543 -2.299 -16.583 1.00 0.00 C ATOM 1573 O VAL A 98 -7.677 -1.356 -17.363 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.987 -4.428 -17.918 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.514 -4.208 -18.270 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.269 -5.906 -17.637 1.00 0.00 C ATOM 0 H VAL A 98 -9.997 -2.546 -17.644 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.256 -4.158 -15.834 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.585 -4.130 -18.779 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.244 -4.839 -19.117 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.355 -3.162 -18.532 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.893 -4.466 -17.412 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.964 -6.504 -18.496 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.709 -6.222 -16.757 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.335 -6.045 -17.458 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.681 -2.325 -15.578 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.800 -1.199 -15.318 1.00 0.00 C ATOM 1588 C GLN A 99 -4.449 -1.413 -16.005 1.00 0.00 C ATOM 1589 O GLN A 99 -3.720 -2.346 -15.672 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.621 -0.978 -13.815 1.00 0.00 C ATOM 1591 CG GLN A 99 -6.741 -0.101 -13.253 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.022 -0.443 -11.788 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -8.266 -0.173 -11.399 1.00 0.00 O flip ATOM 1594 NE2 GLN A 99 -6.168 -0.919 -11.060 1.00 0.00 N flip ATOM 0 H GLN A 99 -6.574 -3.108 -14.934 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.259 -0.301 -15.732 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.614 -1.939 -13.301 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.656 -0.508 -13.625 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.463 0.949 -13.338 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.647 -0.240 -13.843 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.232 -1.102 -11.423 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.389 -1.135 -10.088 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.157 -0.534 -16.952 1.00 0.00 N ATOM 1604 CA GLU A 100 -2.908 -0.614 -17.689 1.00 0.00 C ATOM 1605 C GLU A 100 -1.967 0.516 -17.263 1.00 0.00 C ATOM 1606 O GLU A 100 -2.154 1.666 -17.657 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.156 -0.580 -19.198 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.843 -0.690 -19.973 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.086 -1.199 -21.395 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -2.647 -2.291 -21.575 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -1.670 -0.417 -22.333 1.00 0.00 O ATOM 0 H GLU A 100 -4.765 0.238 -17.226 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.432 -1.566 -17.454 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.818 -1.399 -19.480 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.664 0.347 -19.466 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.356 0.284 -20.010 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.165 -1.366 -19.452 1.00 0.00 H new ATOM 1619 N LEU A 101 -0.976 0.148 -16.464 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.005 1.116 -15.982 1.00 0.00 C ATOM 1621 C LEU A 101 1.267 1.020 -16.826 1.00 0.00 C ATOM 1622 O LEU A 101 1.871 -0.047 -16.926 1.00 0.00 O ATOM 1623 CB LEU A 101 0.236 0.931 -14.482 1.00 0.00 C ATOM 1624 CG LEU A 101 0.572 2.200 -13.695 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.576 1.925 -12.190 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.892 2.807 -14.172 1.00 0.00 C ATOM 0 H LEU A 101 -0.825 -0.807 -16.138 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.388 2.130 -16.097 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.655 0.481 -14.044 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.051 0.219 -14.350 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.207 2.938 -13.885 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.817 2.842 -11.653 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.408 1.573 -11.882 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.322 1.164 -11.961 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.107 3.707 -13.597 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.696 2.085 -14.031 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.814 3.062 -15.229 1.00 0.00 H new ATOM 1638 N LEU A 102 1.636 2.149 -17.412 1.00 0.00 N ATOM 1639 CA LEU A 102 2.826 2.206 -18.245 1.00 0.00 C ATOM 1640 C LEU A 102 3.990 2.764 -17.425 1.00 0.00 C ATOM 1641 O LEU A 102 3.914 3.880 -16.911 1.00 0.00 O ATOM 1642 CB LEU A 102 2.545 2.990 -19.529 1.00 0.00 C ATOM 1643 CG LEU A 102 1.348 2.517 -20.355 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.575 2.775 -21.846 1.00 0.00 C ATOM 1645 CD2 LEU A 102 1.032 1.047 -20.071 1.00 0.00 C ATOM 0 H LEU A 102 1.132 3.032 -17.327 1.00 0.00 H new ATOM 0 HA LEU A 102 3.114 1.205 -18.568 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.389 4.036 -19.266 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.434 2.949 -20.158 1.00 0.00 H new ATOM 0 HG LEU A 102 0.476 3.098 -20.056 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.709 2.430 -22.411 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.715 3.843 -22.013 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.463 2.237 -22.177 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.177 0.736 -20.671 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.896 0.433 -20.325 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.798 0.923 -19.014 1.00 0.00 H new ATOM 1657 N LEU A 103 5.042 1.964 -17.329 1.00 0.00 N ATOM 1658 CA LEU A 103 6.222 2.365 -16.581 1.00 0.00 C ATOM 1659 C LEU A 103 7.386 2.580 -17.551 1.00 0.00 C ATOM 1660 O LEU A 103 7.677 1.717 -18.378 1.00 0.00 O ATOM 1661 CB LEU A 103 6.523 1.354 -15.473 1.00 0.00 C ATOM 1662 CG LEU A 103 5.690 1.490 -14.197 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.691 0.183 -13.401 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.167 2.674 -13.354 1.00 0.00 C ATOM 0 H LEU A 103 5.102 1.040 -17.757 1.00 0.00 H new ATOM 0 HA LEU A 103 6.048 3.315 -16.075 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.376 0.351 -15.874 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.576 1.440 -15.206 1.00 0.00 H new ATOM 0 HG LEU A 103 4.658 1.693 -14.483 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.092 0.306 -12.499 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.268 -0.615 -14.011 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.714 -0.074 -13.125 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.558 2.748 -12.453 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.210 2.526 -13.076 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.073 3.593 -13.932 1.00 0.00 H new ATOM 1676 N LYS A 104 8.021 3.735 -17.416 1.00 0.00 N ATOM 1677 CA LYS A 104 9.147 4.074 -18.269 1.00 0.00 C ATOM 1678 C LYS A 104 10.390 4.289 -17.403 1.00 0.00 C ATOM 1679 O LYS A 104 10.350 5.034 -16.426 1.00 0.00 O ATOM 1680 CB LYS A 104 8.804 5.270 -19.160 1.00 0.00 C ATOM 1681 CG LYS A 104 9.512 5.168 -20.512 1.00 0.00 C ATOM 1682 CD LYS A 104 11.014 5.415 -20.365 1.00 0.00 C ATOM 1683 CE LYS A 104 11.284 6.726 -19.625 1.00 0.00 C ATOM 1684 NZ LYS A 104 10.358 7.783 -20.089 1.00 0.00 N ATOM 0 H LYS A 104 7.777 4.448 -16.729 1.00 0.00 H new ATOM 0 HA LYS A 104 9.370 3.253 -18.950 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.726 5.317 -19.313 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.096 6.195 -18.662 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.343 4.181 -20.941 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.087 5.894 -21.205 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.471 4.587 -19.823 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.479 5.447 -21.350 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.166 6.576 -18.552 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.315 7.039 -19.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.815 8.712 -19.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.117 7.620 -21.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.491 7.761 -19.515 1.00 0.00 H new ATOM 1697 N LEU A 105 11.465 3.621 -17.794 1.00 0.00 N ATOM 1698 CA LEU A 105 12.719 3.728 -17.065 1.00 0.00 C ATOM 1699 C LEU A 105 13.719 4.535 -17.894 1.00 0.00 C ATOM 1700 O LEU A 105 14.006 4.187 -19.038 1.00 0.00 O ATOM 1701 CB LEU A 105 13.227 2.340 -16.669 1.00 0.00 C ATOM 1702 CG LEU A 105 14.489 2.310 -15.803 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.274 3.070 -14.493 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.954 0.873 -15.562 1.00 0.00 C ATOM 0 H LEU A 105 11.495 3.004 -18.606 1.00 0.00 H new ATOM 0 HA LEU A 105 12.571 4.268 -16.130 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.431 1.822 -16.134 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.421 1.772 -17.579 1.00 0.00 H new ATOM 0 HG LEU A 105 15.286 2.820 -16.344 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.186 3.033 -13.897 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.025 4.109 -14.711 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.457 2.611 -13.936 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.852 0.880 -14.944 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.167 0.317 -15.052 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.175 0.397 -16.517 1.00 0.00 H new ATOM 1716 N LEU A 106 14.223 5.598 -17.284 1.00 0.00 N ATOM 1717 CA LEU A 106 15.185 6.459 -17.951 1.00 0.00 C ATOM 1718 C LEU A 106 16.595 5.908 -17.727 1.00 0.00 C ATOM 1719 O LEU A 106 16.854 5.245 -16.725 1.00 0.00 O ATOM 1720 CB LEU A 106 15.011 7.909 -17.499 1.00 0.00 C ATOM 1721 CG LEU A 106 13.571 8.421 -17.427 1.00 0.00 C ATOM 1722 CD1 LEU A 106 13.035 8.351 -15.995 1.00 0.00 C ATOM 1723 CD2 LEU A 106 13.461 9.831 -18.011 1.00 0.00 C ATOM 0 H LEU A 106 13.983 5.883 -16.334 1.00 0.00 H new ATOM 0 HA LEU A 106 15.011 6.464 -19.027 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.464 8.018 -16.514 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.570 8.551 -18.180 1.00 0.00 H new ATOM 0 HG LEU A 106 12.946 7.769 -18.037 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.010 8.721 -15.972 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.056 7.318 -15.649 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.657 8.965 -15.343 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.427 10.171 -17.948 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.102 10.509 -17.447 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.775 9.818 -19.055 1.00 0.00 H new