USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 433 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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00686) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -84:sc= 0.855 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -1.67! C(o=-2.6!,f=-1.7!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.558 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.119) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 149:sc= -9.58! (180deg=-13.7!) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -2.24 F(o=-3.8!,f=-2.2) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= 0.309 (180deg=-0.528) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0121) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 149:sc= -1.92! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -91:sc= 1.22 USER MOD Single : A 61 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 16.077 -14.070 -15.700 1.00 0.00 N ATOM 26 CA ASP A 11 17.053 -14.835 -16.525 1.00 0.00 C ATOM 27 C ASP A 11 18.386 -14.085 -16.563 1.00 0.00 C ATOM 28 O ASP A 11 18.425 -12.873 -16.643 1.00 0.00 O ATOM 29 CB ASP A 11 16.511 -14.983 -17.948 1.00 0.00 C ATOM 30 CG ASP A 11 16.431 -16.467 -18.312 1.00 0.00 C ATOM 31 OD1 ASP A 11 17.449 -17.019 -18.695 1.00 0.00 O ATOM 32 OD2 ASP A 11 15.352 -17.026 -18.202 1.00 0.00 O ATOM 0 HA ASP A 11 17.204 -15.822 -16.088 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.524 -14.526 -18.022 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.158 -14.460 -18.651 1.00 0.00 H new ATOM 37 N ILE A 12 19.479 -14.796 -16.505 1.00 0.00 N ATOM 38 CA ILE A 12 20.808 -14.122 -16.537 1.00 0.00 C ATOM 39 C ILE A 12 21.474 -14.373 -17.891 1.00 0.00 C ATOM 40 O ILE A 12 21.539 -15.491 -18.364 1.00 0.00 O ATOM 41 CB ILE A 12 21.691 -14.685 -15.423 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.922 -14.665 -14.101 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.953 -13.830 -15.292 1.00 0.00 C ATOM 44 CD1 ILE A 12 20.626 -13.218 -13.704 1.00 0.00 C ATOM 0 H ILE A 12 19.509 -15.813 -16.437 1.00 0.00 H new ATOM 0 HA ILE A 12 20.676 -13.050 -16.390 1.00 0.00 H new ATOM 0 HB ILE A 12 21.970 -15.711 -15.664 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.991 -15.223 -14.201 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.505 -15.155 -13.321 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.583 -14.231 -14.498 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.502 -13.845 -16.233 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.674 -12.804 -15.051 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.078 -13.204 -12.762 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.563 -12.674 -13.587 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.026 -12.743 -14.480 1.00 0.00 H new ATOM 56 N VAL A 13 21.964 -13.342 -18.522 1.00 0.00 N ATOM 57 CA VAL A 13 22.619 -13.516 -19.846 1.00 0.00 C ATOM 58 C VAL A 13 23.976 -12.820 -19.827 1.00 0.00 C ATOM 59 O VAL A 13 24.188 -11.885 -19.082 1.00 0.00 O ATOM 60 CB VAL A 13 21.742 -12.880 -20.929 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.701 -13.896 -21.401 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.033 -11.651 -20.357 1.00 0.00 C ATOM 0 H VAL A 13 21.938 -12.383 -18.175 1.00 0.00 H new ATOM 0 HA VAL A 13 22.751 -14.577 -20.056 1.00 0.00 H new ATOM 0 HB VAL A 13 22.365 -12.579 -21.771 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.076 -13.445 -22.172 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.206 -14.771 -21.809 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.078 -14.197 -20.559 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.409 -11.199 -21.128 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.409 -11.950 -19.515 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.775 -10.927 -20.020 1.00 0.00 H new ATOM 72 N VAL A 14 24.896 -13.254 -20.639 1.00 0.00 N ATOM 73 CA VAL A 14 26.227 -12.592 -20.650 1.00 0.00 C ATOM 74 C VAL A 14 26.452 -11.951 -22.017 1.00 0.00 C ATOM 75 O VAL A 14 26.167 -12.534 -23.041 1.00 0.00 O ATOM 76 CB VAL A 14 27.325 -13.618 -20.366 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.337 -14.671 -21.477 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.681 -12.912 -20.317 1.00 0.00 C ATOM 0 H VAL A 14 24.786 -14.031 -21.290 1.00 0.00 H new ATOM 0 HA VAL A 14 26.260 -11.825 -19.876 1.00 0.00 H new ATOM 0 HB VAL A 14 27.133 -14.102 -19.408 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.119 -15.403 -21.276 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.370 -15.173 -21.513 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.530 -14.187 -22.435 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.464 -13.642 -20.115 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.874 -12.429 -21.275 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.672 -12.161 -19.527 1.00 0.00 H new ATOM 88 N ALA A 15 26.934 -10.742 -22.031 1.00 0.00 N ATOM 89 CA ALA A 15 27.163 -10.032 -23.321 1.00 0.00 C ATOM 90 C ALA A 15 28.135 -10.816 -24.210 1.00 0.00 C ATOM 91 O ALA A 15 29.285 -11.010 -23.870 1.00 0.00 O ATOM 92 CB ALA A 15 27.759 -8.653 -23.029 1.00 0.00 C ATOM 0 H ALA A 15 27.182 -10.209 -21.197 1.00 0.00 H new ATOM 0 HA ALA A 15 26.211 -9.937 -23.843 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.931 -8.125 -23.967 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.067 -8.081 -22.412 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.705 -8.770 -22.500 1.00 0.00 H new ATOM 98 N LEU A 16 27.690 -11.231 -25.367 1.00 0.00 N ATOM 99 CA LEU A 16 28.597 -11.957 -26.298 1.00 0.00 C ATOM 100 C LEU A 16 29.273 -10.919 -27.189 1.00 0.00 C ATOM 101 O LEU A 16 30.359 -11.119 -27.695 1.00 0.00 O ATOM 102 CB LEU A 16 27.789 -12.918 -27.173 1.00 0.00 C ATOM 103 CG LEU A 16 27.373 -14.150 -26.366 1.00 0.00 C ATOM 104 CD1 LEU A 16 28.379 -15.278 -26.602 1.00 0.00 C ATOM 105 CD2 LEU A 16 27.329 -13.812 -24.878 1.00 0.00 C ATOM 0 H LEU A 16 26.737 -11.098 -25.706 1.00 0.00 H new ATOM 0 HA LEU A 16 29.334 -12.530 -25.735 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.904 -12.412 -27.559 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.383 -13.223 -28.034 1.00 0.00 H new ATOM 0 HG LEU A 16 26.382 -14.468 -26.689 1.00 0.00 H new ATOM 0 HD11 LEU A 16 28.083 -16.156 -26.027 1.00 0.00 H new ATOM 0 HD12 LEU A 16 28.402 -15.529 -27.662 1.00 0.00 H new ATOM 0 HD13 LEU A 16 29.370 -14.954 -26.285 1.00 0.00 H new ATOM 0 HD21 LEU A 16 27.032 -14.695 -24.313 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.316 -13.486 -24.550 1.00 0.00 H new ATOM 0 HD23 LEU A 16 26.608 -13.013 -24.708 1.00 0.00 H new ATOM 117 N TYR A 17 28.621 -9.807 -27.378 1.00 0.00 N ATOM 118 CA TYR A 17 29.188 -8.730 -28.229 1.00 0.00 C ATOM 119 C TYR A 17 28.936 -7.378 -27.559 1.00 0.00 C ATOM 120 O TYR A 17 27.888 -7.150 -26.987 1.00 0.00 O ATOM 121 CB TYR A 17 28.492 -8.748 -29.591 1.00 0.00 C ATOM 122 CG TYR A 17 28.633 -10.118 -30.213 1.00 0.00 C ATOM 123 CD1 TYR A 17 27.792 -11.160 -29.807 1.00 0.00 C ATOM 124 CD2 TYR A 17 29.605 -10.343 -31.196 1.00 0.00 C ATOM 125 CE1 TYR A 17 27.923 -12.430 -30.383 1.00 0.00 C ATOM 126 CE2 TYR A 17 29.735 -11.612 -31.772 1.00 0.00 C ATOM 127 CZ TYR A 17 28.894 -12.655 -31.367 1.00 0.00 C ATOM 128 OH TYR A 17 29.023 -13.906 -31.935 1.00 0.00 O ATOM 0 H TYR A 17 27.708 -9.598 -26.973 1.00 0.00 H new ATOM 0 HA TYR A 17 30.259 -8.887 -28.358 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.438 -8.496 -29.476 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.930 -7.994 -30.245 1.00 0.00 H new ATOM 0 HD1 TYR A 17 27.042 -10.985 -29.050 1.00 0.00 H new ATOM 0 HD2 TYR A 17 30.254 -9.538 -31.509 1.00 0.00 H new ATOM 0 HE1 TYR A 17 27.276 -13.235 -30.069 1.00 0.00 H new ATOM 0 HE2 TYR A 17 30.485 -11.787 -32.529 1.00 0.00 H new ATOM 0 HH TYR A 17 29.742 -13.891 -32.600 1.00 0.00 H new ATOM 138 N PRO A 18 29.905 -6.460 -27.641 1.00 0.00 N ATOM 139 CA PRO A 18 29.776 -5.119 -27.056 1.00 0.00 C ATOM 140 C PRO A 18 28.630 -4.333 -27.702 1.00 0.00 C ATOM 141 O PRO A 18 28.395 -4.422 -28.890 1.00 0.00 O ATOM 142 CB PRO A 18 31.127 -4.467 -27.369 1.00 0.00 C ATOM 143 CG PRO A 18 31.625 -5.223 -28.553 1.00 0.00 C ATOM 144 CD PRO A 18 31.199 -6.641 -28.312 1.00 0.00 C ATOM 0 HA PRO A 18 29.546 -5.145 -25.991 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.016 -3.406 -27.591 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.814 -4.547 -26.526 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.199 -4.834 -29.478 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.708 -5.146 -28.644 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.102 -7.202 -29.242 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.911 -7.181 -27.687 1.00 0.00 H new ATOM 152 N TYR A 19 27.908 -3.574 -26.922 1.00 0.00 N ATOM 153 CA TYR A 19 26.769 -2.794 -27.482 1.00 0.00 C ATOM 154 C TYR A 19 26.816 -1.360 -26.957 1.00 0.00 C ATOM 155 O TYR A 19 26.841 -1.131 -25.764 1.00 0.00 O ATOM 156 CB TYR A 19 25.454 -3.442 -27.043 1.00 0.00 C ATOM 157 CG TYR A 19 24.301 -2.819 -27.799 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.686 -1.655 -27.316 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.845 -3.409 -28.984 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.617 -1.084 -28.018 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.776 -2.837 -29.685 1.00 0.00 C ATOM 162 CZ TYR A 19 22.162 -1.676 -29.202 1.00 0.00 C ATOM 163 OH TYR A 19 21.110 -1.113 -29.894 1.00 0.00 O ATOM 0 H TYR A 19 28.059 -3.461 -25.920 1.00 0.00 H new ATOM 0 HA TYR A 19 26.838 -2.785 -28.570 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.486 -4.515 -27.230 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.312 -3.309 -25.970 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.037 -1.199 -26.402 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.318 -4.305 -29.358 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.144 -0.187 -27.646 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.425 -3.292 -30.599 1.00 0.00 H new ATOM 0 HH TYR A 19 20.263 -1.416 -29.505 1.00 0.00 H new ATOM 173 N ASP A 20 26.817 -0.392 -27.828 1.00 0.00 N ATOM 174 CA ASP A 20 26.848 1.019 -27.357 1.00 0.00 C ATOM 175 C ASP A 20 25.446 1.610 -27.491 1.00 0.00 C ATOM 176 O ASP A 20 24.958 1.828 -28.581 1.00 0.00 O ATOM 177 CB ASP A 20 27.840 1.829 -28.194 1.00 0.00 C ATOM 178 CG ASP A 20 27.843 3.282 -27.714 1.00 0.00 C ATOM 179 OD1 ASP A 20 26.811 3.923 -27.819 1.00 0.00 O ATOM 180 OD2 ASP A 20 28.879 3.729 -27.249 1.00 0.00 O ATOM 0 H ASP A 20 26.798 -0.515 -28.840 1.00 0.00 H new ATOM 0 HA ASP A 20 27.166 1.054 -26.315 1.00 0.00 H new ATOM 0 HB2 ASP A 20 28.840 1.403 -28.106 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.566 1.783 -29.248 1.00 0.00 H new ATOM 185 N GLY A 21 24.796 1.853 -26.383 1.00 0.00 N ATOM 186 CA GLY A 21 23.413 2.416 -26.410 1.00 0.00 C ATOM 187 C GLY A 21 23.189 3.234 -27.682 1.00 0.00 C ATOM 188 O GLY A 21 23.407 4.429 -27.712 1.00 0.00 O ATOM 0 H GLY A 21 25.169 1.683 -25.449 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.684 1.607 -26.359 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.254 3.045 -25.534 1.00 0.00 H new ATOM 192 N ILE A 22 22.739 2.602 -28.734 1.00 0.00 N ATOM 193 CA ILE A 22 22.486 3.348 -29.996 1.00 0.00 C ATOM 194 C ILE A 22 21.056 3.887 -29.964 1.00 0.00 C ATOM 195 O ILE A 22 20.675 4.731 -30.751 1.00 0.00 O ATOM 196 CB ILE A 22 22.655 2.409 -31.193 1.00 0.00 C ATOM 197 CG1 ILE A 22 24.121 1.984 -31.306 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.234 3.133 -32.473 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.242 0.488 -31.007 1.00 0.00 C ATOM 0 H ILE A 22 22.537 1.603 -28.771 1.00 0.00 H new ATOM 0 HA ILE A 22 23.194 4.172 -30.090 1.00 0.00 H new ATOM 0 HB ILE A 22 22.031 1.526 -31.053 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.497 2.197 -32.307 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.732 2.556 -30.608 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.354 2.465 -33.325 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.190 3.435 -32.393 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.858 4.016 -32.613 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.286 0.184 -31.087 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.883 0.288 -29.998 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.644 -0.076 -31.723 1.00 0.00 H new ATOM 211 N HIS A 23 20.266 3.401 -29.046 1.00 0.00 N ATOM 212 CA HIS A 23 18.859 3.872 -28.934 1.00 0.00 C ATOM 213 C HIS A 23 18.685 4.602 -27.602 1.00 0.00 C ATOM 214 O HIS A 23 19.586 4.643 -26.788 1.00 0.00 O ATOM 215 CB HIS A 23 17.914 2.670 -28.984 1.00 0.00 C ATOM 216 CG HIS A 23 17.183 2.662 -30.297 1.00 0.00 C ATOM 217 ND1 HIS A 23 15.879 2.946 -30.623 1.00 0.00 N flip ATOM 218 CD2 HIS A 23 17.807 2.330 -31.489 1.00 0.00 C flip ATOM 219 CE1 HIS A 23 15.696 2.791 -31.994 1.00 0.00 C flip ATOM 220 NE2 HIS A 23 16.889 2.420 -32.467 1.00 0.00 N flip ATOM 0 H HIS A 23 20.538 2.693 -28.364 1.00 0.00 H new ATOM 0 HA HIS A 23 18.628 4.547 -29.758 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.478 1.745 -28.864 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.202 2.719 -28.160 1.00 0.00 H new ATOM 0 HD2 HIS A 23 18.843 2.050 -31.610 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.785 2.939 -32.555 1.00 0.00 H new ATOM 0 HE2 HIS A 23 17.080 2.228 -33.450 1.00 0.00 H new ATOM 228 N PRO A 24 17.503 5.187 -27.377 1.00 0.00 N ATOM 229 CA PRO A 24 17.210 5.917 -26.139 1.00 0.00 C ATOM 230 C PRO A 24 17.058 4.974 -24.942 1.00 0.00 C ATOM 231 O PRO A 24 17.359 5.331 -23.819 1.00 0.00 O ATOM 232 CB PRO A 24 15.877 6.604 -26.434 1.00 0.00 C ATOM 233 CG PRO A 24 15.241 5.757 -27.486 1.00 0.00 C ATOM 234 CD PRO A 24 16.362 5.186 -28.309 1.00 0.00 C ATOM 0 HA PRO A 24 18.011 6.607 -25.874 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.254 6.661 -25.541 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.026 7.625 -26.784 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.646 4.962 -27.037 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.567 6.349 -28.106 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.131 4.180 -28.660 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.563 5.794 -29.191 1.00 0.00 H new ATOM 242 N ASP A 25 16.582 3.782 -25.167 1.00 0.00 N ATOM 243 CA ASP A 25 16.399 2.827 -24.036 1.00 0.00 C ATOM 244 C ASP A 25 17.372 1.650 -24.168 1.00 0.00 C ATOM 245 O ASP A 25 17.506 0.848 -23.265 1.00 0.00 O ATOM 246 CB ASP A 25 14.965 2.296 -24.056 1.00 0.00 C ATOM 247 CG ASP A 25 14.772 1.304 -22.907 1.00 0.00 C ATOM 248 OD1 ASP A 25 15.213 0.175 -23.046 1.00 0.00 O ATOM 249 OD2 ASP A 25 14.190 1.691 -21.907 1.00 0.00 O ATOM 0 H ASP A 25 16.311 3.426 -26.084 1.00 0.00 H new ATOM 0 HA ASP A 25 16.596 3.346 -23.098 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.259 3.121 -23.961 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.759 1.809 -25.009 1.00 0.00 H new ATOM 254 N ASP A 26 18.046 1.528 -25.280 1.00 0.00 N ATOM 255 CA ASP A 26 18.994 0.390 -25.448 1.00 0.00 C ATOM 256 C ASP A 26 20.068 0.446 -24.362 1.00 0.00 C ATOM 257 O ASP A 26 20.725 1.452 -24.179 1.00 0.00 O ATOM 258 CB ASP A 26 19.663 0.484 -26.820 1.00 0.00 C ATOM 259 CG ASP A 26 18.927 -0.421 -27.809 1.00 0.00 C ATOM 260 OD1 ASP A 26 17.803 -0.099 -28.154 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.502 -1.423 -28.205 1.00 0.00 O ATOM 0 H ASP A 26 17.982 2.164 -26.075 1.00 0.00 H new ATOM 0 HA ASP A 26 18.445 -0.548 -25.368 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.648 1.515 -27.174 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.709 0.187 -26.748 1.00 0.00 H new ATOM 266 N LEU A 27 20.267 -0.627 -23.644 1.00 0.00 N ATOM 267 CA LEU A 27 21.314 -0.628 -22.586 1.00 0.00 C ATOM 268 C LEU A 27 22.639 -1.059 -23.219 1.00 0.00 C ATOM 269 O LEU A 27 22.687 -1.982 -24.008 1.00 0.00 O ATOM 270 CB LEU A 27 20.900 -1.599 -21.468 1.00 0.00 C ATOM 271 CG LEU A 27 22.116 -2.032 -20.643 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.897 -3.106 -21.402 1.00 0.00 C ATOM 273 CD2 LEU A 27 23.019 -0.826 -20.374 1.00 0.00 C ATOM 0 H LEU A 27 19.750 -1.500 -23.745 1.00 0.00 H new ATOM 0 HA LEU A 27 21.430 0.366 -22.153 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.166 -1.121 -20.819 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.419 -2.476 -21.902 1.00 0.00 H new ATOM 0 HG LEU A 27 21.776 -2.440 -19.691 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.761 -3.412 -20.813 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.254 -3.968 -21.577 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.233 -2.704 -22.358 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.882 -1.141 -19.787 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.358 -0.407 -21.321 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.461 -0.070 -19.822 1.00 0.00 H new ATOM 285 N SER A 28 23.713 -0.389 -22.898 1.00 0.00 N ATOM 286 CA SER A 28 25.029 -0.750 -23.498 1.00 0.00 C ATOM 287 C SER A 28 25.710 -1.845 -22.674 1.00 0.00 C ATOM 288 O SER A 28 25.724 -1.808 -21.461 1.00 0.00 O ATOM 289 CB SER A 28 25.925 0.489 -23.522 1.00 0.00 C ATOM 290 OG SER A 28 25.159 1.618 -23.914 1.00 0.00 O ATOM 0 H SER A 28 23.735 0.394 -22.245 1.00 0.00 H new ATOM 0 HA SER A 28 24.867 -1.119 -24.511 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.360 0.656 -22.537 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.753 0.339 -24.215 1.00 0.00 H new ATOM 0 HG SER A 28 25.732 2.413 -23.928 1.00 0.00 H new ATOM 296 N PHE A 29 26.295 -2.810 -23.330 1.00 0.00 N ATOM 297 CA PHE A 29 26.997 -3.896 -22.593 1.00 0.00 C ATOM 298 C PHE A 29 28.272 -4.264 -23.354 1.00 0.00 C ATOM 299 O PHE A 29 28.339 -4.137 -24.560 1.00 0.00 O ATOM 300 CB PHE A 29 26.090 -5.126 -22.473 1.00 0.00 C ATOM 301 CG PHE A 29 25.386 -5.393 -23.782 1.00 0.00 C ATOM 302 CD1 PHE A 29 24.164 -4.768 -24.060 1.00 0.00 C ATOM 303 CD2 PHE A 29 25.945 -6.279 -24.709 1.00 0.00 C ATOM 304 CE1 PHE A 29 23.503 -5.029 -25.266 1.00 0.00 C ATOM 305 CE2 PHE A 29 25.282 -6.542 -25.915 1.00 0.00 C ATOM 306 CZ PHE A 29 24.061 -5.916 -26.193 1.00 0.00 C ATOM 0 H PHE A 29 26.316 -2.892 -24.346 1.00 0.00 H new ATOM 0 HA PHE A 29 27.249 -3.552 -21.590 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.682 -5.996 -22.188 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.355 -4.968 -21.684 1.00 0.00 H new ATOM 0 HD1 PHE A 29 23.732 -4.085 -23.344 1.00 0.00 H new ATOM 0 HD2 PHE A 29 26.888 -6.760 -24.495 1.00 0.00 H new ATOM 0 HE1 PHE A 29 22.562 -4.545 -25.481 1.00 0.00 H new ATOM 0 HE2 PHE A 29 25.713 -7.227 -26.630 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.550 -6.118 -27.123 1.00 0.00 H new ATOM 316 N LYS A 30 29.287 -4.711 -22.667 1.00 0.00 N ATOM 317 CA LYS A 30 30.550 -5.071 -23.370 1.00 0.00 C ATOM 318 C LYS A 30 30.713 -6.588 -23.369 1.00 0.00 C ATOM 319 O LYS A 30 30.473 -7.241 -22.374 1.00 0.00 O ATOM 320 CB LYS A 30 31.734 -4.434 -22.643 1.00 0.00 C ATOM 321 CG LYS A 30 32.744 -3.914 -23.668 1.00 0.00 C ATOM 322 CD LYS A 30 32.829 -2.390 -23.572 1.00 0.00 C ATOM 323 CE LYS A 30 33.553 -1.999 -22.283 1.00 0.00 C ATOM 324 NZ LYS A 30 34.559 -0.940 -22.578 1.00 0.00 N ATOM 0 H LYS A 30 29.297 -4.842 -21.655 1.00 0.00 H new ATOM 0 HA LYS A 30 30.514 -4.707 -24.397 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.388 -3.616 -22.010 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.208 -5.165 -21.988 1.00 0.00 H new ATOM 0 HG2 LYS A 30 33.724 -4.356 -23.486 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.443 -4.210 -24.673 1.00 0.00 H new ATOM 0 HD2 LYS A 30 33.360 -1.990 -24.436 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.828 -1.958 -23.585 1.00 0.00 H new ATOM 0 HE2 LYS A 30 32.836 -1.638 -21.546 1.00 0.00 H new ATOM 0 HE3 LYS A 30 34.044 -2.871 -21.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 35.051 -0.675 -21.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 35.250 -1.300 -23.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 34.079 -0.106 -22.972 1.00 0.00 H new ATOM 338 N LYS A 31 31.126 -7.160 -24.470 1.00 0.00 N ATOM 339 CA LYS A 31 31.307 -8.637 -24.497 1.00 0.00 C ATOM 340 C LYS A 31 31.951 -9.068 -23.182 1.00 0.00 C ATOM 341 O LYS A 31 32.637 -8.300 -22.537 1.00 0.00 O ATOM 342 CB LYS A 31 32.206 -9.042 -25.665 1.00 0.00 C ATOM 343 CG LYS A 31 33.607 -8.468 -25.452 1.00 0.00 C ATOM 344 CD LYS A 31 34.498 -9.526 -24.800 1.00 0.00 C ATOM 345 CE LYS A 31 35.569 -8.838 -23.950 1.00 0.00 C ATOM 346 NZ LYS A 31 36.448 -8.016 -24.828 1.00 0.00 N ATOM 0 H LYS A 31 31.343 -6.674 -25.340 1.00 0.00 H new ATOM 0 HA LYS A 31 30.339 -9.122 -24.623 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.254 -10.128 -25.741 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.790 -8.675 -26.603 1.00 0.00 H new ATOM 0 HG2 LYS A 31 34.033 -8.156 -26.406 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.556 -7.581 -24.821 1.00 0.00 H new ATOM 0 HD2 LYS A 31 33.897 -10.190 -24.179 1.00 0.00 H new ATOM 0 HD3 LYS A 31 34.967 -10.143 -25.566 1.00 0.00 H new ATOM 0 HE2 LYS A 31 35.100 -8.208 -23.195 1.00 0.00 H new ATOM 0 HE3 LYS A 31 36.162 -9.583 -23.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 37.296 -7.729 -24.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 36.731 -8.575 -25.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 35.932 -7.169 -25.141 1.00 0.00 H new ATOM 360 N GLY A 32 31.729 -10.281 -22.768 1.00 0.00 N ATOM 361 CA GLY A 32 32.322 -10.746 -21.481 1.00 0.00 C ATOM 362 C GLY A 32 31.524 -10.170 -20.302 1.00 0.00 C ATOM 363 O GLY A 32 31.616 -10.649 -19.189 1.00 0.00 O ATOM 0 H GLY A 32 31.164 -10.972 -23.262 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.315 -11.835 -21.439 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.364 -10.431 -21.415 1.00 0.00 H new ATOM 367 N GLU A 33 30.741 -9.146 -20.534 1.00 0.00 N ATOM 368 CA GLU A 33 29.943 -8.545 -19.423 1.00 0.00 C ATOM 369 C GLU A 33 28.664 -9.359 -19.207 1.00 0.00 C ATOM 370 O GLU A 33 28.178 -10.024 -20.098 1.00 0.00 O ATOM 371 CB GLU A 33 29.583 -7.099 -19.770 1.00 0.00 C ATOM 372 CG GLU A 33 29.342 -6.310 -18.482 1.00 0.00 C ATOM 373 CD GLU A 33 30.202 -5.045 -18.489 1.00 0.00 C ATOM 374 OE1 GLU A 33 31.328 -5.115 -18.025 1.00 0.00 O ATOM 375 OE2 GLU A 33 29.720 -4.027 -18.959 1.00 0.00 O ATOM 0 H GLU A 33 30.620 -8.701 -21.444 1.00 0.00 H new ATOM 0 HA GLU A 33 30.535 -8.557 -18.508 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.388 -6.641 -20.345 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.691 -7.075 -20.396 1.00 0.00 H new ATOM 0 HG2 GLU A 33 28.288 -6.045 -18.397 1.00 0.00 H new ATOM 0 HG3 GLU A 33 29.587 -6.924 -17.616 1.00 0.00 H new ATOM 382 N LYS A 34 28.126 -9.317 -18.014 1.00 0.00 N ATOM 383 CA LYS A 34 26.887 -10.093 -17.715 1.00 0.00 C ATOM 384 C LYS A 34 25.688 -9.150 -17.615 1.00 0.00 C ATOM 385 O LYS A 34 25.785 -8.045 -17.119 1.00 0.00 O ATOM 386 CB LYS A 34 27.061 -10.831 -16.387 1.00 0.00 C ATOM 387 CG LYS A 34 27.685 -9.888 -15.357 1.00 0.00 C ATOM 388 CD LYS A 34 29.202 -10.079 -15.344 1.00 0.00 C ATOM 389 CE LYS A 34 29.611 -10.836 -14.079 1.00 0.00 C ATOM 390 NZ LYS A 34 30.891 -10.280 -13.557 1.00 0.00 N ATOM 0 H LYS A 34 28.494 -8.776 -17.232 1.00 0.00 H new ATOM 0 HA LYS A 34 26.712 -10.809 -18.518 1.00 0.00 H new ATOM 0 HB2 LYS A 34 26.096 -11.190 -16.029 1.00 0.00 H new ATOM 0 HB3 LYS A 34 27.695 -11.706 -16.526 1.00 0.00 H new ATOM 0 HG2 LYS A 34 27.440 -8.854 -15.600 1.00 0.00 H new ATOM 0 HG3 LYS A 34 27.274 -10.089 -14.368 1.00 0.00 H new ATOM 0 HD2 LYS A 34 29.517 -10.632 -16.229 1.00 0.00 H new ATOM 0 HD3 LYS A 34 29.701 -9.111 -15.378 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.830 -10.750 -13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 34 29.727 -11.897 -14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 31.168 -10.795 -12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 31.634 -10.384 -14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 30.766 -9.273 -13.332 1.00 0.00 H new ATOM 404 N MET A 35 24.558 -9.590 -18.088 1.00 0.00 N ATOM 405 CA MET A 35 23.330 -8.751 -18.039 1.00 0.00 C ATOM 406 C MET A 35 22.144 -9.616 -17.626 1.00 0.00 C ATOM 407 O MET A 35 22.123 -10.810 -17.845 1.00 0.00 O ATOM 408 CB MET A 35 23.058 -8.170 -19.423 1.00 0.00 C ATOM 409 CG MET A 35 23.997 -6.989 -19.670 1.00 0.00 C ATOM 410 SD MET A 35 25.300 -7.484 -20.822 1.00 0.00 S ATOM 411 CE MET A 35 24.225 -8.221 -22.078 1.00 0.00 C ATOM 0 H MET A 35 24.431 -10.509 -18.513 1.00 0.00 H new ATOM 0 HA MET A 35 23.471 -7.944 -17.319 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.207 -8.934 -20.186 1.00 0.00 H new ATOM 0 HB3 MET A 35 22.020 -7.845 -19.496 1.00 0.00 H new ATOM 0 HG2 MET A 35 23.439 -6.146 -20.077 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.436 -6.657 -18.729 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.678 -8.098 -23.062 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.095 -9.283 -21.868 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.254 -7.726 -22.061 1.00 0.00 H new ATOM 421 N LYS A 36 21.151 -9.018 -17.035 1.00 0.00 N ATOM 422 CA LYS A 36 19.957 -9.796 -16.610 1.00 0.00 C ATOM 423 C LYS A 36 18.733 -9.265 -17.353 1.00 0.00 C ATOM 424 O LYS A 36 18.503 -8.074 -17.406 1.00 0.00 O ATOM 425 CB LYS A 36 19.751 -9.640 -15.102 1.00 0.00 C ATOM 426 CG LYS A 36 19.419 -8.182 -14.780 1.00 0.00 C ATOM 427 CD LYS A 36 19.261 -8.017 -13.268 1.00 0.00 C ATOM 428 CE LYS A 36 20.627 -8.170 -12.593 1.00 0.00 C ATOM 429 NZ LYS A 36 20.661 -7.352 -11.348 1.00 0.00 N ATOM 0 H LYS A 36 21.114 -8.020 -16.827 1.00 0.00 H new ATOM 0 HA LYS A 36 20.102 -10.851 -16.841 1.00 0.00 H new ATOM 0 HB2 LYS A 36 18.944 -10.291 -14.765 1.00 0.00 H new ATOM 0 HB3 LYS A 36 20.651 -9.946 -14.568 1.00 0.00 H new ATOM 0 HG2 LYS A 36 20.210 -7.528 -15.147 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.500 -7.887 -15.287 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.838 -7.038 -13.040 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.566 -8.762 -12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.813 -9.218 -12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 36 21.418 -7.851 -13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.589 -7.456 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.502 -6.352 -11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.916 -7.676 -10.699 1.00 0.00 H new ATOM 443 N VAL A 37 17.944 -10.132 -17.927 1.00 0.00 N ATOM 444 CA VAL A 37 16.739 -9.656 -18.664 1.00 0.00 C ATOM 445 C VAL A 37 15.501 -9.839 -17.783 1.00 0.00 C ATOM 446 O VAL A 37 15.176 -10.935 -17.371 1.00 0.00 O ATOM 447 CB VAL A 37 16.581 -10.451 -19.964 1.00 0.00 C ATOM 448 CG1 VAL A 37 16.955 -11.914 -19.714 1.00 0.00 C ATOM 449 CG2 VAL A 37 15.131 -10.371 -20.448 1.00 0.00 C ATOM 0 H VAL A 37 18.080 -11.143 -17.918 1.00 0.00 H new ATOM 0 HA VAL A 37 16.853 -8.600 -18.908 1.00 0.00 H new ATOM 0 HB VAL A 37 17.237 -10.030 -20.725 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.843 -12.481 -20.638 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.989 -11.972 -19.375 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.299 -12.332 -18.950 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.024 -10.938 -21.373 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.470 -10.788 -19.688 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.865 -9.330 -20.628 1.00 0.00 H new ATOM 459 N LEU A 38 14.815 -8.770 -17.486 1.00 0.00 N ATOM 460 CA LEU A 38 13.605 -8.876 -16.624 1.00 0.00 C ATOM 461 C LEU A 38 12.375 -9.172 -17.486 1.00 0.00 C ATOM 462 O LEU A 38 11.497 -9.913 -17.094 1.00 0.00 O ATOM 463 CB LEU A 38 13.394 -7.557 -15.875 1.00 0.00 C ATOM 464 CG LEU A 38 14.751 -6.933 -15.533 1.00 0.00 C ATOM 465 CD1 LEU A 38 14.818 -5.515 -16.106 1.00 0.00 C ATOM 466 CD2 LEU A 38 14.921 -6.875 -14.015 1.00 0.00 C ATOM 0 H LEU A 38 15.040 -7.827 -17.803 1.00 0.00 H new ATOM 0 HA LEU A 38 13.746 -9.686 -15.909 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.811 -6.869 -16.488 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.824 -7.733 -14.963 1.00 0.00 H new ATOM 0 HG LEU A 38 15.547 -7.540 -15.964 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.783 -5.070 -15.863 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.698 -5.554 -17.189 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.021 -4.910 -15.674 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.887 -6.431 -13.774 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.125 -6.269 -13.583 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.873 -7.884 -13.605 1.00 0.00 H new ATOM 478 N GLU A 39 12.298 -8.595 -18.656 1.00 0.00 N ATOM 479 CA GLU A 39 11.116 -8.846 -19.531 1.00 0.00 C ATOM 480 C GLU A 39 11.580 -9.165 -20.954 1.00 0.00 C ATOM 481 O GLU A 39 12.467 -8.525 -21.486 1.00 0.00 O ATOM 482 CB GLU A 39 10.228 -7.602 -19.552 1.00 0.00 C ATOM 483 CG GLU A 39 8.856 -7.944 -18.964 1.00 0.00 C ATOM 484 CD GLU A 39 8.940 -7.929 -17.436 1.00 0.00 C ATOM 485 OE1 GLU A 39 9.941 -7.457 -16.921 1.00 0.00 O ATOM 486 OE2 GLU A 39 8.001 -8.388 -16.807 1.00 0.00 O ATOM 0 H GLU A 39 13.000 -7.963 -19.042 1.00 0.00 H new ATOM 0 HA GLU A 39 10.553 -9.693 -19.140 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.692 -6.801 -18.977 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.117 -7.238 -20.574 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.112 -7.224 -19.305 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.533 -8.925 -19.312 1.00 0.00 H new ATOM 493 N GLU A 40 10.988 -10.150 -21.575 1.00 0.00 N ATOM 494 CA GLU A 40 11.394 -10.509 -22.963 1.00 0.00 C ATOM 495 C GLU A 40 10.265 -10.157 -23.933 1.00 0.00 C ATOM 496 O GLU A 40 9.100 -10.250 -23.603 1.00 0.00 O ATOM 497 CB GLU A 40 11.679 -12.011 -23.038 1.00 0.00 C ATOM 498 CG GLU A 40 12.092 -12.380 -24.464 1.00 0.00 C ATOM 499 CD GLU A 40 11.317 -13.620 -24.914 1.00 0.00 C ATOM 500 OE1 GLU A 40 10.098 -13.576 -24.883 1.00 0.00 O ATOM 501 OE2 GLU A 40 11.954 -14.592 -25.283 1.00 0.00 O ATOM 0 H GLU A 40 10.241 -10.721 -21.180 1.00 0.00 H new ATOM 0 HA GLU A 40 12.292 -9.953 -23.233 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.471 -12.277 -22.338 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.793 -12.575 -22.747 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.892 -11.548 -25.139 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.164 -12.573 -24.505 1.00 0.00 H new ATOM 508 N HIS A 41 10.597 -9.758 -25.132 1.00 0.00 N ATOM 509 CA HIS A 41 9.535 -9.407 -26.119 1.00 0.00 C ATOM 510 C HIS A 41 9.601 -10.367 -27.312 1.00 0.00 C ATOM 511 O HIS A 41 9.541 -9.957 -28.454 1.00 0.00 O ATOM 512 CB HIS A 41 9.749 -7.975 -26.610 1.00 0.00 C ATOM 513 CG HIS A 41 9.656 -7.028 -25.444 1.00 0.00 C ATOM 514 ND1 HIS A 41 10.471 -6.826 -24.359 1.00 0.00 N flip ATOM 515 CD2 HIS A 41 8.606 -6.134 -25.300 1.00 0.00 C flip ATOM 516 CE1 HIS A 41 9.940 -5.824 -23.553 1.00 0.00 C flip ATOM 517 NE2 HIS A 41 8.816 -5.441 -24.166 1.00 0.00 N flip ATOM 0 H HIS A 41 11.554 -9.660 -25.470 1.00 0.00 H new ATOM 0 HA HIS A 41 8.559 -9.489 -25.641 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.724 -7.885 -27.089 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.000 -7.720 -27.360 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.771 -6.015 -25.975 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.348 -5.439 -22.630 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.193 -4.712 -23.817 1.00 0.00 H new ATOM 525 N GLY A 42 9.712 -11.642 -27.055 1.00 0.00 N ATOM 526 CA GLY A 42 9.769 -12.631 -28.171 1.00 0.00 C ATOM 527 C GLY A 42 10.791 -12.188 -29.223 1.00 0.00 C ATOM 528 O GLY A 42 10.632 -12.446 -30.399 1.00 0.00 O ATOM 0 H GLY A 42 9.766 -12.043 -26.119 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.039 -13.613 -27.782 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.785 -12.730 -28.629 1.00 0.00 H new ATOM 532 N GLU A 43 11.840 -11.530 -28.812 1.00 0.00 N ATOM 533 CA GLU A 43 12.869 -11.080 -29.795 1.00 0.00 C ATOM 534 C GLU A 43 13.739 -9.989 -29.172 1.00 0.00 C ATOM 535 O GLU A 43 14.945 -9.983 -29.314 1.00 0.00 O ATOM 536 CB GLU A 43 12.177 -10.528 -31.043 1.00 0.00 C ATOM 537 CG GLU A 43 12.375 -11.499 -32.208 1.00 0.00 C ATOM 538 CD GLU A 43 11.133 -11.483 -33.102 1.00 0.00 C ATOM 539 OE1 GLU A 43 11.065 -10.631 -33.972 1.00 0.00 O ATOM 540 OE2 GLU A 43 10.272 -12.323 -32.901 1.00 0.00 O ATOM 0 H GLU A 43 12.030 -11.284 -27.840 1.00 0.00 H new ATOM 0 HA GLU A 43 13.497 -11.928 -30.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.114 -10.387 -30.850 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.587 -9.550 -31.297 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.255 -11.216 -32.785 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.551 -12.506 -31.830 1.00 0.00 H new ATOM 547 N TRP A 44 13.133 -9.070 -28.480 1.00 0.00 N ATOM 548 CA TRP A 44 13.916 -7.976 -27.840 1.00 0.00 C ATOM 549 C TRP A 44 13.548 -7.906 -26.359 1.00 0.00 C ATOM 550 O TRP A 44 12.404 -7.711 -26.003 1.00 0.00 O ATOM 551 CB TRP A 44 13.580 -6.644 -28.515 1.00 0.00 C ATOM 552 CG TRP A 44 14.434 -6.474 -29.730 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.332 -7.209 -30.861 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.514 -5.522 -29.957 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.281 -6.770 -31.767 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.034 -5.731 -31.256 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.087 -4.507 -29.169 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.085 -4.962 -31.756 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.145 -3.730 -29.669 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.643 -3.958 -30.960 1.00 0.00 C ATOM 0 H TRP A 44 12.125 -9.027 -28.328 1.00 0.00 H new ATOM 0 HA TRP A 44 14.983 -8.173 -27.947 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.526 -6.619 -28.791 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.747 -5.820 -27.821 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.625 -8.008 -31.029 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.409 -7.165 -32.699 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.711 -4.324 -28.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.465 -5.141 -32.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.577 -2.953 -29.056 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.457 -3.358 -31.339 1.00 0.00 H new ATOM 571 N TRP A 45 14.504 -8.069 -25.488 1.00 0.00 N ATOM 572 CA TRP A 45 14.190 -8.017 -24.034 1.00 0.00 C ATOM 573 C TRP A 45 14.899 -6.828 -23.394 1.00 0.00 C ATOM 574 O TRP A 45 15.790 -6.233 -23.968 1.00 0.00 O ATOM 575 CB TRP A 45 14.664 -9.300 -23.342 1.00 0.00 C ATOM 576 CG TRP A 45 14.895 -10.387 -24.345 1.00 0.00 C ATOM 577 CD1 TRP A 45 14.106 -10.650 -25.413 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.975 -11.363 -24.382 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.637 -11.727 -26.103 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.788 -12.202 -25.506 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.089 -11.599 -23.556 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.675 -13.239 -25.800 1.00 0.00 C ATOM 583 CZ3 TRP A 45 17.983 -12.641 -23.848 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.777 -13.459 -24.967 1.00 0.00 C ATOM 0 H TRP A 45 15.484 -8.235 -25.718 1.00 0.00 H new ATOM 0 HA TRP A 45 13.111 -7.916 -23.918 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.585 -9.104 -22.792 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.920 -9.622 -22.613 1.00 0.00 H new ATOM 0 HD1 TRP A 45 13.211 -10.109 -25.682 1.00 0.00 H new ATOM 0 HE1 TRP A 45 14.227 -12.122 -26.950 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.258 -10.974 -22.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.512 -13.866 -26.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.835 -12.813 -23.207 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.469 -14.259 -25.186 1.00 0.00 H new ATOM 595 N LYS A 46 14.519 -6.496 -22.194 1.00 0.00 N ATOM 596 CA LYS A 46 15.174 -5.365 -21.484 1.00 0.00 C ATOM 597 C LYS A 46 16.010 -5.941 -20.342 1.00 0.00 C ATOM 598 O LYS A 46 15.506 -6.631 -19.478 1.00 0.00 O ATOM 599 CB LYS A 46 14.112 -4.420 -20.923 1.00 0.00 C ATOM 600 CG LYS A 46 14.523 -2.970 -21.188 1.00 0.00 C ATOM 601 CD LYS A 46 14.312 -2.140 -19.920 1.00 0.00 C ATOM 602 CE LYS A 46 13.961 -0.702 -20.303 1.00 0.00 C ATOM 603 NZ LYS A 46 14.890 0.237 -19.614 1.00 0.00 N ATOM 0 H LYS A 46 13.778 -6.963 -21.671 1.00 0.00 H new ATOM 0 HA LYS A 46 15.808 -4.805 -22.171 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.147 -4.625 -21.386 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.993 -4.585 -19.852 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.568 -2.927 -21.494 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.934 -2.558 -22.007 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.513 -2.573 -19.318 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.214 -2.155 -19.309 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.033 -0.574 -21.383 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.931 -0.481 -20.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.915 1.140 -20.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.559 0.402 -18.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.845 -0.175 -19.590 1.00 0.00 H new ATOM 617 N ALA A 47 17.286 -5.686 -20.345 1.00 0.00 N ATOM 618 CA ALA A 47 18.155 -6.245 -19.274 1.00 0.00 C ATOM 619 C ALA A 47 18.763 -5.123 -18.433 1.00 0.00 C ATOM 620 O ALA A 47 18.449 -3.960 -18.596 1.00 0.00 O ATOM 621 CB ALA A 47 19.281 -7.059 -19.914 1.00 0.00 C ATOM 0 H ALA A 47 17.765 -5.115 -21.041 1.00 0.00 H new ATOM 0 HA ALA A 47 17.550 -6.880 -18.627 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.921 -7.471 -19.134 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.854 -7.873 -20.500 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.872 -6.414 -20.565 1.00 0.00 H new ATOM 627 N LYS A 48 19.644 -5.478 -17.538 1.00 0.00 N ATOM 628 CA LYS A 48 20.304 -4.459 -16.675 1.00 0.00 C ATOM 629 C LYS A 48 21.793 -4.794 -16.577 1.00 0.00 C ATOM 630 O LYS A 48 22.176 -5.948 -16.598 1.00 0.00 O ATOM 631 CB LYS A 48 19.677 -4.486 -15.279 1.00 0.00 C ATOM 632 CG LYS A 48 19.920 -3.145 -14.584 1.00 0.00 C ATOM 633 CD LYS A 48 19.332 -3.187 -13.173 1.00 0.00 C ATOM 634 CE LYS A 48 17.907 -2.633 -13.196 1.00 0.00 C ATOM 635 NZ LYS A 48 16.935 -3.758 -13.099 1.00 0.00 N ATOM 0 H LYS A 48 19.937 -6.440 -17.367 1.00 0.00 H new ATOM 0 HA LYS A 48 20.174 -3.465 -17.103 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.607 -4.681 -15.353 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.108 -5.296 -14.691 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.989 -2.936 -14.538 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.462 -2.338 -15.156 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.329 -4.211 -12.799 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.950 -2.601 -12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.761 -1.940 -12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.739 -2.071 -14.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.010 -3.450 -13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.278 -4.563 -13.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.837 -4.048 -12.105 1.00 0.00 H new ATOM 649 N SER A 49 22.639 -3.804 -16.485 1.00 0.00 N ATOM 650 CA SER A 49 24.099 -4.089 -16.405 1.00 0.00 C ATOM 651 C SER A 49 24.491 -4.364 -14.953 1.00 0.00 C ATOM 652 O SER A 49 24.263 -3.553 -14.077 1.00 0.00 O ATOM 653 CB SER A 49 24.884 -2.883 -16.925 1.00 0.00 C ATOM 654 OG SER A 49 26.071 -3.330 -17.562 1.00 0.00 O ATOM 0 H SER A 49 22.384 -2.817 -16.462 1.00 0.00 H new ATOM 0 HA SER A 49 24.329 -4.964 -17.013 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.274 -2.314 -17.627 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.131 -2.213 -16.101 1.00 0.00 H new ATOM 0 HG SER A 49 26.573 -2.558 -17.897 1.00 0.00 H new ATOM 660 N LEU A 50 25.077 -5.498 -14.685 1.00 0.00 N ATOM 661 CA LEU A 50 25.476 -5.807 -13.282 1.00 0.00 C ATOM 662 C LEU A 50 26.632 -4.891 -12.871 1.00 0.00 C ATOM 663 O LEU A 50 27.027 -4.847 -11.723 1.00 0.00 O ATOM 664 CB LEU A 50 25.919 -7.268 -13.184 1.00 0.00 C ATOM 665 CG LEU A 50 25.336 -7.891 -11.914 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.395 -9.036 -12.293 1.00 0.00 C ATOM 667 CD2 LEU A 50 26.472 -8.432 -11.044 1.00 0.00 C ATOM 0 H LEU A 50 25.296 -6.220 -15.371 1.00 0.00 H new ATOM 0 HA LEU A 50 24.628 -5.644 -12.618 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.583 -7.821 -14.061 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.007 -7.329 -13.166 1.00 0.00 H new ATOM 0 HG LEU A 50 24.782 -7.134 -11.359 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.980 -9.480 -11.388 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.585 -8.651 -12.913 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.949 -9.794 -12.848 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.057 -8.876 -10.139 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.026 -9.189 -11.599 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.143 -7.617 -10.774 1.00 0.00 H new ATOM 679 N LEU A 51 27.177 -4.161 -13.806 1.00 0.00 N ATOM 680 CA LEU A 51 28.310 -3.245 -13.486 1.00 0.00 C ATOM 681 C LEU A 51 27.771 -1.886 -13.045 1.00 0.00 C ATOM 682 O LEU A 51 28.105 -1.386 -11.989 1.00 0.00 O ATOM 683 CB LEU A 51 29.179 -3.063 -14.733 1.00 0.00 C ATOM 684 CG LEU A 51 30.243 -1.998 -14.461 1.00 0.00 C ATOM 685 CD1 LEU A 51 30.922 -2.284 -13.120 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.290 -2.027 -15.578 1.00 0.00 C ATOM 0 H LEU A 51 26.885 -4.160 -14.783 1.00 0.00 H new ATOM 0 HA LEU A 51 28.904 -3.675 -12.679 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.654 -4.007 -15.000 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.561 -2.767 -15.580 1.00 0.00 H new ATOM 0 HG LEU A 51 29.772 -1.015 -14.427 1.00 0.00 H new ATOM 0 HD11 LEU A 51 31.680 -1.525 -12.927 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.178 -2.265 -12.324 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.393 -3.267 -13.153 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.049 -1.269 -15.385 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.760 -3.010 -15.611 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.808 -1.823 -16.534 1.00 0.00 H new ATOM 698 N THR A 52 26.944 -1.281 -13.848 1.00 0.00 N ATOM 699 CA THR A 52 26.386 0.053 -13.478 1.00 0.00 C ATOM 700 C THR A 52 24.900 -0.090 -13.146 1.00 0.00 C ATOM 701 O THR A 52 24.226 0.875 -12.848 1.00 0.00 O ATOM 702 CB THR A 52 26.558 1.031 -14.647 1.00 0.00 C ATOM 703 OG1 THR A 52 25.294 1.274 -15.249 1.00 0.00 O ATOM 704 CG2 THR A 52 27.513 0.437 -15.685 1.00 0.00 C ATOM 0 H THR A 52 26.629 -1.650 -14.745 1.00 0.00 H new ATOM 0 HA THR A 52 26.919 0.437 -12.608 1.00 0.00 H new ATOM 0 HB THR A 52 26.972 1.968 -14.275 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.274 2.184 -15.612 1.00 0.00 H new ATOM 0 HG21 THR A 52 27.631 1.136 -16.513 1.00 0.00 H new ATOM 0 HG22 THR A 52 28.483 0.253 -15.224 1.00 0.00 H new ATOM 0 HG23 THR A 52 27.106 -0.502 -16.059 1.00 0.00 H new ATOM 712 N LYS A 53 24.384 -1.287 -13.192 1.00 0.00 N ATOM 713 CA LYS A 53 22.944 -1.488 -12.875 1.00 0.00 C ATOM 714 C LYS A 53 22.084 -0.676 -13.843 1.00 0.00 C ATOM 715 O LYS A 53 20.969 -0.303 -13.534 1.00 0.00 O ATOM 716 CB LYS A 53 22.665 -1.035 -11.440 1.00 0.00 C ATOM 717 CG LYS A 53 23.079 -2.139 -10.466 1.00 0.00 C ATOM 718 CD LYS A 53 21.907 -3.098 -10.253 1.00 0.00 C ATOM 719 CE LYS A 53 22.319 -4.197 -9.273 1.00 0.00 C ATOM 720 NZ LYS A 53 23.131 -5.222 -9.988 1.00 0.00 N ATOM 0 H LYS A 53 24.898 -2.134 -13.435 1.00 0.00 H new ATOM 0 HA LYS A 53 22.699 -2.545 -12.975 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.215 -0.119 -11.223 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.606 -0.807 -11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 53 23.939 -2.681 -10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 53 23.384 -1.703 -9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 53 21.045 -2.555 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.606 -3.538 -11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 53 22.895 -3.770 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 53 21.434 -4.659 -8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 23.368 -5.995 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 22.585 -5.601 -10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 24.007 -4.786 -10.341 1.00 0.00 H new ATOM 734 N LYS A 54 22.582 -0.414 -15.018 1.00 0.00 N ATOM 735 CA LYS A 54 21.779 0.354 -16.008 1.00 0.00 C ATOM 736 C LYS A 54 20.854 -0.621 -16.735 1.00 0.00 C ATOM 737 O LYS A 54 21.233 -1.737 -17.028 1.00 0.00 O ATOM 738 CB LYS A 54 22.712 1.029 -17.015 1.00 0.00 C ATOM 739 CG LYS A 54 22.017 2.251 -17.616 1.00 0.00 C ATOM 740 CD LYS A 54 22.605 2.543 -18.999 1.00 0.00 C ATOM 741 CE LYS A 54 23.923 3.304 -18.842 1.00 0.00 C ATOM 742 NZ LYS A 54 23.658 4.770 -18.889 1.00 0.00 N ATOM 0 H LYS A 54 23.509 -0.698 -15.335 1.00 0.00 H new ATOM 0 HA LYS A 54 21.193 1.122 -15.503 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.638 1.329 -16.524 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.982 0.327 -17.804 1.00 0.00 H new ATOM 0 HG2 LYS A 54 20.945 2.071 -17.695 1.00 0.00 H new ATOM 0 HG3 LYS A 54 22.148 3.114 -16.964 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.773 1.611 -19.539 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.901 3.131 -19.589 1.00 0.00 H new ATOM 0 HE2 LYS A 54 24.398 3.039 -17.897 1.00 0.00 H new ATOM 0 HE3 LYS A 54 24.615 3.023 -19.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 24.553 5.288 -18.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 23.223 5.015 -19.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 23.013 5.031 -18.116 1.00 0.00 H new ATOM 756 N GLU A 55 19.647 -0.224 -17.026 1.00 0.00 N ATOM 757 CA GLU A 55 18.721 -1.155 -17.726 1.00 0.00 C ATOM 758 C GLU A 55 18.316 -0.565 -19.077 1.00 0.00 C ATOM 759 O GLU A 55 18.041 0.611 -19.199 1.00 0.00 O ATOM 760 CB GLU A 55 17.474 -1.383 -16.871 1.00 0.00 C ATOM 761 CG GLU A 55 16.872 -0.032 -16.475 1.00 0.00 C ATOM 762 CD GLU A 55 15.769 -0.250 -15.438 1.00 0.00 C ATOM 763 OE1 GLU A 55 14.935 -1.113 -15.660 1.00 0.00 O ATOM 764 OE2 GLU A 55 15.775 0.450 -14.439 1.00 0.00 O ATOM 0 H GLU A 55 19.264 0.697 -16.811 1.00 0.00 H new ATOM 0 HA GLU A 55 19.227 -2.107 -17.887 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.742 -1.971 -17.426 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.731 -1.954 -15.979 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.646 0.618 -16.067 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.466 0.469 -17.354 1.00 0.00 H new ATOM 771 N GLY A 56 18.278 -1.384 -20.092 1.00 0.00 N ATOM 772 CA GLY A 56 17.891 -0.890 -21.439 1.00 0.00 C ATOM 773 C GLY A 56 17.529 -2.080 -22.322 1.00 0.00 C ATOM 774 O GLY A 56 17.843 -3.213 -22.018 1.00 0.00 O ATOM 0 H GLY A 56 18.500 -2.378 -20.044 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.044 -0.209 -21.361 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.712 -0.328 -21.884 1.00 0.00 H new ATOM 778 N PHE A 57 16.862 -1.832 -23.409 1.00 0.00 N ATOM 779 CA PHE A 57 16.468 -2.949 -24.309 1.00 0.00 C ATOM 780 C PHE A 57 17.714 -3.593 -24.919 1.00 0.00 C ATOM 781 O PHE A 57 18.604 -2.921 -25.402 1.00 0.00 O ATOM 782 CB PHE A 57 15.569 -2.414 -25.426 1.00 0.00 C ATOM 783 CG PHE A 57 14.146 -2.329 -24.929 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.493 -3.482 -24.478 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.480 -1.098 -24.919 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.173 -3.405 -24.017 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.160 -1.020 -24.458 1.00 0.00 C ATOM 788 CZ PHE A 57 11.507 -2.174 -24.006 1.00 0.00 C ATOM 0 H PHE A 57 16.571 -0.904 -23.715 1.00 0.00 H new ATOM 0 HA PHE A 57 15.926 -3.698 -23.732 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.914 -1.430 -25.745 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.623 -3.068 -26.296 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.008 -4.432 -24.486 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.984 -0.208 -25.267 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.669 -4.295 -23.670 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.646 -0.070 -24.451 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.489 -2.114 -23.649 1.00 0.00 H new ATOM 798 N ILE A 58 17.772 -4.897 -24.914 1.00 0.00 N ATOM 799 CA ILE A 58 18.945 -5.603 -25.506 1.00 0.00 C ATOM 800 C ILE A 58 18.438 -6.565 -26.582 1.00 0.00 C ATOM 801 O ILE A 58 17.379 -7.149 -26.447 1.00 0.00 O ATOM 802 CB ILE A 58 19.683 -6.392 -24.419 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.679 -7.216 -23.611 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.415 -5.423 -23.488 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.405 -8.386 -22.940 1.00 0.00 C ATOM 0 H ILE A 58 17.054 -5.507 -24.523 1.00 0.00 H new ATOM 0 HA ILE A 58 19.633 -4.878 -25.941 1.00 0.00 H new ATOM 0 HB ILE A 58 20.406 -7.060 -24.887 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.201 -6.590 -22.858 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.890 -7.589 -24.263 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.939 -5.986 -22.716 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.134 -4.840 -24.063 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.694 -4.752 -23.021 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.691 -8.975 -22.364 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.863 -9.016 -23.703 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.179 -8.001 -22.275 1.00 0.00 H new ATOM 817 N PRO A 59 19.198 -6.730 -27.675 1.00 0.00 N ATOM 818 CA PRO A 59 18.801 -7.622 -28.768 1.00 0.00 C ATOM 819 C PRO A 59 18.922 -9.088 -28.344 1.00 0.00 C ATOM 820 O PRO A 59 19.766 -9.430 -27.541 1.00 0.00 O ATOM 821 CB PRO A 59 19.806 -7.304 -29.873 1.00 0.00 C ATOM 822 CG PRO A 59 21.002 -6.773 -29.155 1.00 0.00 C ATOM 823 CD PRO A 59 20.491 -6.073 -27.927 1.00 0.00 C ATOM 0 HA PRO A 59 17.765 -7.477 -29.075 1.00 0.00 H new ATOM 0 HB2 PRO A 59 20.054 -8.194 -30.451 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.406 -6.570 -30.573 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.682 -7.581 -28.885 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.560 -6.084 -29.789 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.173 -6.190 -27.084 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.372 -5.003 -28.094 1.00 0.00 H new ATOM 831 N SER A 60 18.095 -9.961 -28.846 1.00 0.00 N ATOM 832 CA SER A 60 18.205 -11.384 -28.421 1.00 0.00 C ATOM 833 C SER A 60 19.235 -12.118 -29.287 1.00 0.00 C ATOM 834 O SER A 60 19.137 -13.309 -29.501 1.00 0.00 O ATOM 835 CB SER A 60 16.842 -12.065 -28.548 1.00 0.00 C ATOM 836 OG SER A 60 16.432 -12.054 -29.907 1.00 0.00 O ATOM 0 H SER A 60 17.359 -9.756 -29.522 1.00 0.00 H new ATOM 0 HA SER A 60 18.532 -11.419 -27.382 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.901 -13.090 -28.183 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.107 -11.549 -27.931 1.00 0.00 H new ATOM 0 HG SER A 60 15.902 -11.249 -30.082 1.00 0.00 H new ATOM 842 N ASN A 61 20.226 -11.423 -29.780 1.00 0.00 N ATOM 843 CA ASN A 61 21.256 -12.101 -30.619 1.00 0.00 C ATOM 844 C ASN A 61 22.656 -11.609 -30.228 1.00 0.00 C ATOM 845 O ASN A 61 23.650 -12.065 -30.757 1.00 0.00 O ATOM 846 CB ASN A 61 20.998 -11.802 -32.096 1.00 0.00 C ATOM 847 CG ASN A 61 21.905 -12.680 -32.961 1.00 0.00 C ATOM 848 OD1 ASN A 61 22.354 -13.723 -32.526 1.00 0.00 O ATOM 849 ND2 ASN A 61 22.196 -12.301 -34.175 1.00 0.00 N ATOM 0 H ASN A 61 20.366 -10.423 -29.639 1.00 0.00 H new ATOM 0 HA ASN A 61 21.197 -13.177 -30.454 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.952 -11.991 -32.339 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.188 -10.749 -32.303 1.00 0.00 H new ATOM 0 HD21 ASN A 61 22.800 -12.880 -34.759 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.820 -11.426 -34.540 1.00 0.00 H new ATOM 856 N TYR A 62 22.744 -10.694 -29.301 1.00 0.00 N ATOM 857 CA TYR A 62 24.085 -10.193 -28.879 1.00 0.00 C ATOM 858 C TYR A 62 24.421 -10.757 -27.496 1.00 0.00 C ATOM 859 O TYR A 62 25.570 -10.856 -27.117 1.00 0.00 O ATOM 860 CB TYR A 62 24.074 -8.666 -28.817 1.00 0.00 C ATOM 861 CG TYR A 62 24.490 -8.103 -30.156 1.00 0.00 C ATOM 862 CD1 TYR A 62 23.810 -8.485 -31.318 1.00 0.00 C ATOM 863 CD2 TYR A 62 25.558 -7.200 -30.234 1.00 0.00 C ATOM 864 CE1 TYR A 62 24.197 -7.963 -32.559 1.00 0.00 C ATOM 865 CE2 TYR A 62 25.944 -6.679 -31.474 1.00 0.00 C ATOM 866 CZ TYR A 62 25.264 -7.060 -32.637 1.00 0.00 C ATOM 867 OH TYR A 62 25.645 -6.546 -33.858 1.00 0.00 O ATOM 0 H TYR A 62 21.950 -10.273 -28.819 1.00 0.00 H new ATOM 0 HA TYR A 62 24.835 -10.515 -29.601 1.00 0.00 H new ATOM 0 HB2 TYR A 62 23.078 -8.310 -28.555 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.753 -8.318 -28.038 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.987 -9.182 -31.258 1.00 0.00 H new ATOM 0 HD2 TYR A 62 26.083 -6.906 -29.337 1.00 0.00 H new ATOM 0 HE1 TYR A 62 23.672 -8.257 -33.456 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.767 -5.982 -31.534 1.00 0.00 H new ATOM 0 HH TYR A 62 26.400 -5.934 -33.734 1.00 0.00 H new ATOM 877 N VAL A 63 23.423 -11.132 -26.744 1.00 0.00 N ATOM 878 CA VAL A 63 23.681 -11.698 -25.388 1.00 0.00 C ATOM 879 C VAL A 63 23.039 -13.082 -25.287 1.00 0.00 C ATOM 880 O VAL A 63 22.112 -13.402 -26.005 1.00 0.00 O ATOM 881 CB VAL A 63 23.071 -10.786 -24.325 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.552 -9.352 -24.546 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.544 -10.835 -24.425 1.00 0.00 C ATOM 0 H VAL A 63 22.440 -11.071 -27.009 1.00 0.00 H new ATOM 0 HA VAL A 63 24.757 -11.775 -25.229 1.00 0.00 H new ATOM 0 HB VAL A 63 23.380 -11.124 -23.336 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.117 -8.701 -23.788 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.639 -9.318 -24.473 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.244 -9.013 -25.535 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.109 -10.184 -23.667 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.233 -10.498 -25.414 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.202 -11.857 -24.266 1.00 0.00 H new