USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=10 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 Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -71:sc= 0.804 USER MOD Single : A 23 HIS : no HD1:sc= -3.02! C(o=-3!,f=-2.2!) USER MOD Single : A 28 SER OG : rot -11:sc= 0.0739! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0783) USER MOD Single : A 35 MET CE :methyl 139:sc= -6.84! (180deg=-10.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.28) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 11:sc=-0.00324 USER MOD Single : A 53 LYS NZ :NH3+ 149:sc= -0.161 (180deg=-0.886) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 61:sc= -0.125! USER MOD Single : A 61 ASN : amide:sc= -4.78! C(o=-4.8!,f=-13!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 16.062 -14.468 -16.025 1.00 0.00 N ATOM 26 CA ASP A 11 16.946 -15.000 -17.099 1.00 0.00 C ATOM 27 C ASP A 11 18.287 -14.266 -17.059 1.00 0.00 C ATOM 28 O ASP A 11 18.346 -13.058 -17.168 1.00 0.00 O ATOM 29 CB ASP A 11 16.284 -14.782 -18.461 1.00 0.00 C ATOM 30 CG ASP A 11 17.105 -15.480 -19.547 1.00 0.00 C ATOM 31 OD1 ASP A 11 18.127 -14.936 -19.930 1.00 0.00 O ATOM 32 OD2 ASP A 11 16.698 -16.546 -19.978 1.00 0.00 O ATOM 0 HA ASP A 11 17.109 -16.067 -16.943 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.267 -15.175 -18.450 1.00 0.00 H new ATOM 0 HB3 ASP A 11 16.211 -13.716 -18.675 1.00 0.00 H new ATOM 37 N ILE A 12 19.365 -14.983 -16.902 1.00 0.00 N ATOM 38 CA ILE A 12 20.696 -14.322 -16.854 1.00 0.00 C ATOM 39 C ILE A 12 21.436 -14.570 -18.170 1.00 0.00 C ATOM 40 O ILE A 12 21.523 -15.685 -18.645 1.00 0.00 O ATOM 41 CB ILE A 12 21.508 -14.897 -15.693 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.604 -15.067 -14.468 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.658 -13.947 -15.353 1.00 0.00 C ATOM 44 CD1 ILE A 12 19.809 -13.781 -14.233 1.00 0.00 C ATOM 0 H ILE A 12 19.380 -15.998 -16.805 1.00 0.00 H new ATOM 0 HA ILE A 12 20.566 -13.250 -16.709 1.00 0.00 H new ATOM 0 HB ILE A 12 21.913 -15.867 -15.981 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.923 -15.905 -14.620 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.205 -15.300 -13.589 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.236 -14.357 -14.525 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.303 -13.830 -16.224 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.255 -12.975 -15.067 1.00 0.00 H new ATOM 0 HD11 ILE A 12 19.167 -13.905 -13.361 1.00 0.00 H new ATOM 0 HD12 ILE A 12 20.498 -12.954 -14.062 1.00 0.00 H new ATOM 0 HD13 ILE A 12 19.195 -13.567 -15.108 1.00 0.00 H new ATOM 56 N VAL A 13 21.961 -13.537 -18.767 1.00 0.00 N ATOM 57 CA VAL A 13 22.687 -13.701 -20.057 1.00 0.00 C ATOM 58 C VAL A 13 24.033 -12.989 -19.965 1.00 0.00 C ATOM 59 O VAL A 13 24.203 -12.069 -19.190 1.00 0.00 O ATOM 60 CB VAL A 13 21.860 -13.067 -21.179 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.836 -14.080 -21.695 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.131 -11.835 -20.641 1.00 0.00 C ATOM 0 H VAL A 13 21.918 -12.581 -18.415 1.00 0.00 H new ATOM 0 HA VAL A 13 22.842 -14.760 -20.264 1.00 0.00 H new ATOM 0 HB VAL A 13 22.521 -12.772 -21.994 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.248 -13.628 -22.494 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.355 -14.958 -22.079 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.175 -14.376 -20.881 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.542 -11.383 -21.439 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.471 -12.130 -19.825 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.860 -11.112 -20.274 1.00 0.00 H new ATOM 72 N VAL A 14 24.989 -13.390 -20.752 1.00 0.00 N ATOM 73 CA VAL A 14 26.307 -12.707 -20.698 1.00 0.00 C ATOM 74 C VAL A 14 26.533 -11.984 -22.022 1.00 0.00 C ATOM 75 O VAL A 14 26.278 -12.518 -23.086 1.00 0.00 O ATOM 76 CB VAL A 14 27.421 -13.728 -20.457 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.507 -14.682 -21.650 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.755 -12.998 -20.293 1.00 0.00 C ATOM 0 H VAL A 14 24.916 -14.154 -21.424 1.00 0.00 H new ATOM 0 HA VAL A 14 26.319 -11.990 -19.878 1.00 0.00 H new ATOM 0 HB VAL A 14 27.203 -14.296 -19.552 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.301 -15.409 -21.478 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.557 -15.203 -21.768 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.725 -14.114 -22.555 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.549 -13.725 -20.121 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.973 -12.430 -21.198 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.696 -12.318 -19.443 1.00 0.00 H new ATOM 88 N ALA A 15 26.990 -10.765 -21.964 1.00 0.00 N ATOM 89 CA ALA A 15 27.217 -9.996 -23.216 1.00 0.00 C ATOM 90 C ALA A 15 28.179 -10.758 -24.124 1.00 0.00 C ATOM 91 O ALA A 15 29.343 -10.926 -23.817 1.00 0.00 O ATOM 92 CB ALA A 15 27.804 -8.625 -22.877 1.00 0.00 C ATOM 0 H ALA A 15 27.216 -10.268 -21.102 1.00 0.00 H new ATOM 0 HA ALA A 15 26.267 -9.864 -23.733 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.970 -8.063 -23.796 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.109 -8.080 -22.238 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.752 -8.754 -22.355 1.00 0.00 H new ATOM 98 N LEU A 16 27.703 -11.198 -25.254 1.00 0.00 N ATOM 99 CA LEU A 16 28.587 -11.924 -26.202 1.00 0.00 C ATOM 100 C LEU A 16 29.243 -10.891 -27.111 1.00 0.00 C ATOM 101 O LEU A 16 30.338 -11.077 -27.605 1.00 0.00 O ATOM 102 CB LEU A 16 27.755 -12.898 -27.040 1.00 0.00 C ATOM 103 CG LEU A 16 26.986 -13.840 -26.111 1.00 0.00 C ATOM 104 CD1 LEU A 16 25.974 -14.648 -26.926 1.00 0.00 C ATOM 105 CD2 LEU A 16 27.966 -14.793 -25.427 1.00 0.00 C ATOM 0 H LEU A 16 26.737 -11.085 -25.562 1.00 0.00 H new ATOM 0 HA LEU A 16 29.345 -12.491 -25.661 1.00 0.00 H new ATOM 0 HB2 LEU A 16 27.060 -12.347 -27.674 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.404 -13.472 -27.702 1.00 0.00 H new ATOM 0 HG LEU A 16 26.460 -13.256 -25.356 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.426 -15.319 -26.264 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.275 -13.969 -27.414 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.499 -15.233 -27.682 1.00 0.00 H new ATOM 0 HD21 LEU A 16 27.419 -15.464 -24.765 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.492 -15.377 -26.182 1.00 0.00 H new ATOM 0 HD23 LEU A 16 28.687 -14.218 -24.846 1.00 0.00 H new ATOM 117 N TYR A 17 28.572 -9.794 -27.324 1.00 0.00 N ATOM 118 CA TYR A 17 29.127 -8.719 -28.187 1.00 0.00 C ATOM 119 C TYR A 17 28.874 -7.367 -27.518 1.00 0.00 C ATOM 120 O TYR A 17 27.814 -7.126 -26.975 1.00 0.00 O ATOM 121 CB TYR A 17 28.428 -8.750 -29.547 1.00 0.00 C ATOM 122 CG TYR A 17 29.237 -9.584 -30.512 1.00 0.00 C ATOM 123 CD1 TYR A 17 29.000 -10.960 -30.617 1.00 0.00 C ATOM 124 CD2 TYR A 17 30.224 -8.982 -31.301 1.00 0.00 C ATOM 125 CE1 TYR A 17 29.750 -11.733 -31.511 1.00 0.00 C ATOM 126 CE2 TYR A 17 30.974 -9.756 -32.195 1.00 0.00 C ATOM 127 CZ TYR A 17 30.737 -11.131 -32.301 1.00 0.00 C ATOM 128 OH TYR A 17 31.475 -11.893 -33.182 1.00 0.00 O ATOM 0 H TYR A 17 27.652 -9.596 -26.931 1.00 0.00 H new ATOM 0 HA TYR A 17 30.198 -8.870 -28.326 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.426 -9.165 -29.443 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.315 -7.737 -29.932 1.00 0.00 H new ATOM 0 HD1 TYR A 17 28.239 -11.425 -30.008 1.00 0.00 H new ATOM 0 HD2 TYR A 17 30.407 -7.921 -31.220 1.00 0.00 H new ATOM 0 HE1 TYR A 17 29.567 -12.794 -31.592 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.736 -9.291 -32.803 1.00 0.00 H new ATOM 0 HH TYR A 17 32.116 -11.320 -33.653 1.00 0.00 H new ATOM 138 N PRO A 18 29.862 -6.464 -27.567 1.00 0.00 N ATOM 139 CA PRO A 18 29.745 -5.124 -26.974 1.00 0.00 C ATOM 140 C PRO A 18 28.617 -4.315 -27.622 1.00 0.00 C ATOM 141 O PRO A 18 28.382 -4.399 -28.811 1.00 0.00 O ATOM 142 CB PRO A 18 31.109 -4.491 -27.269 1.00 0.00 C ATOM 143 CG PRO A 18 31.613 -5.252 -28.448 1.00 0.00 C ATOM 144 CD PRO A 18 31.169 -6.665 -28.207 1.00 0.00 C ATOM 0 HA PRO A 18 29.502 -5.155 -25.912 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.016 -3.428 -27.490 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.783 -4.582 -26.418 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.201 -4.860 -29.378 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.698 -5.186 -28.528 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.087 -7.232 -29.134 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.861 -7.207 -27.562 1.00 0.00 H new ATOM 152 N TYR A 19 27.909 -3.544 -26.842 1.00 0.00 N ATOM 153 CA TYR A 19 26.785 -2.740 -27.402 1.00 0.00 C ATOM 154 C TYR A 19 26.866 -1.306 -26.878 1.00 0.00 C ATOM 155 O TYR A 19 26.876 -1.073 -25.687 1.00 0.00 O ATOM 156 CB TYR A 19 25.457 -3.355 -26.958 1.00 0.00 C ATOM 157 CG TYR A 19 24.323 -2.739 -27.747 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.730 -1.544 -27.315 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.862 -3.365 -28.911 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.680 -0.977 -28.048 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.812 -2.798 -29.644 1.00 0.00 C ATOM 162 CZ TYR A 19 22.221 -1.604 -29.212 1.00 0.00 C ATOM 163 OH TYR A 19 21.187 -1.047 -29.936 1.00 0.00 O ATOM 0 H TYR A 19 28.061 -3.436 -25.839 1.00 0.00 H new ATOM 0 HA TYR A 19 26.851 -2.736 -28.490 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.475 -4.434 -27.111 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.305 -3.186 -25.892 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.083 -1.060 -26.416 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.317 -4.286 -29.244 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.225 -0.056 -27.715 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.458 -3.282 -30.542 1.00 0.00 H new ATOM 0 HH TYR A 19 20.348 -1.149 -29.440 1.00 0.00 H new ATOM 173 N ASP A 20 26.906 -0.341 -27.753 1.00 0.00 N ATOM 174 CA ASP A 20 26.968 1.072 -27.286 1.00 0.00 C ATOM 175 C ASP A 20 25.579 1.693 -27.432 1.00 0.00 C ATOM 176 O ASP A 20 25.099 1.901 -28.526 1.00 0.00 O ATOM 177 CB ASP A 20 27.981 1.855 -28.122 1.00 0.00 C ATOM 178 CG ASP A 20 29.376 1.693 -27.516 1.00 0.00 C ATOM 179 OD1 ASP A 20 29.964 0.641 -27.704 1.00 0.00 O ATOM 180 OD2 ASP A 20 29.833 2.625 -26.874 1.00 0.00 O ATOM 0 H ASP A 20 26.899 -0.468 -28.765 1.00 0.00 H new ATOM 0 HA ASP A 20 27.282 1.105 -26.243 1.00 0.00 H new ATOM 0 HB2 ASP A 20 27.976 1.495 -29.151 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.706 2.909 -28.152 1.00 0.00 H new ATOM 185 N GLY A 21 24.933 1.976 -26.332 1.00 0.00 N ATOM 186 CA GLY A 21 23.563 2.573 -26.378 1.00 0.00 C ATOM 187 C GLY A 21 23.352 3.340 -27.686 1.00 0.00 C ATOM 188 O GLY A 21 23.587 4.530 -27.764 1.00 0.00 O ATOM 0 H GLY A 21 25.299 1.818 -25.393 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.814 1.786 -26.287 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.424 3.244 -25.530 1.00 0.00 H new ATOM 192 N ILE A 22 22.897 2.671 -28.713 1.00 0.00 N ATOM 193 CA ILE A 22 22.662 3.372 -30.007 1.00 0.00 C ATOM 194 C ILE A 22 21.236 3.921 -30.013 1.00 0.00 C ATOM 195 O ILE A 22 20.873 4.742 -30.832 1.00 0.00 O ATOM 196 CB ILE A 22 22.830 2.387 -31.167 1.00 0.00 C ATOM 197 CG1 ILE A 22 24.308 2.027 -31.328 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.319 3.028 -32.457 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.473 1.093 -32.527 1.00 0.00 C ATOM 0 H ILE A 22 22.679 1.675 -28.711 1.00 0.00 H new ATOM 0 HA ILE A 22 23.379 4.185 -30.122 1.00 0.00 H new ATOM 0 HB ILE A 22 22.259 1.482 -30.958 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.901 2.930 -31.472 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.677 1.544 -30.423 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.438 2.327 -33.283 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.265 3.281 -32.345 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.889 3.934 -32.664 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.525 0.834 -32.645 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.892 0.185 -32.364 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.119 1.593 -33.429 1.00 0.00 H new ATOM 211 N HIS A 23 20.429 3.467 -29.094 1.00 0.00 N ATOM 212 CA HIS A 23 19.022 3.946 -29.020 1.00 0.00 C ATOM 213 C HIS A 23 18.821 4.707 -27.710 1.00 0.00 C ATOM 214 O HIS A 23 19.708 4.779 -26.882 1.00 0.00 O ATOM 215 CB HIS A 23 18.074 2.745 -29.056 1.00 0.00 C ATOM 216 CG HIS A 23 17.292 2.760 -30.342 1.00 0.00 C ATOM 217 ND1 HIS A 23 17.909 2.752 -31.582 1.00 0.00 N ATOM 218 CD2 HIS A 23 15.943 2.783 -30.594 1.00 0.00 C ATOM 219 CE1 HIS A 23 16.941 2.768 -32.516 1.00 0.00 C ATOM 220 NE2 HIS A 23 15.723 2.787 -31.967 1.00 0.00 N ATOM 0 H HIS A 23 20.687 2.779 -28.386 1.00 0.00 H new ATOM 0 HA HIS A 23 18.812 4.602 -29.865 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.641 1.818 -28.974 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.394 2.779 -28.204 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.170 2.796 -29.840 1.00 0.00 H new ATOM 0 HE1 HIS A 23 17.126 2.766 -33.580 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.825 2.801 -32.451 1.00 0.00 H new ATOM 228 N PRO A 24 17.628 5.283 -27.519 1.00 0.00 N ATOM 229 CA PRO A 24 17.302 6.039 -26.306 1.00 0.00 C ATOM 230 C PRO A 24 17.127 5.119 -25.096 1.00 0.00 C ATOM 231 O PRO A 24 17.415 5.489 -23.974 1.00 0.00 O ATOM 232 CB PRO A 24 15.974 6.711 -26.648 1.00 0.00 C ATOM 233 CG PRO A 24 15.365 5.839 -27.695 1.00 0.00 C ATOM 234 CD PRO A 24 16.505 5.243 -28.472 1.00 0.00 C ATOM 0 HA PRO A 24 18.091 6.741 -26.036 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.331 6.785 -25.771 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.127 7.725 -27.017 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.754 5.058 -27.242 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.711 6.417 -28.348 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.285 4.224 -28.790 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.722 5.818 -29.372 1.00 0.00 H new ATOM 242 N ASP A 25 16.647 3.926 -25.311 1.00 0.00 N ATOM 243 CA ASP A 25 16.441 2.987 -24.172 1.00 0.00 C ATOM 244 C ASP A 25 17.415 1.808 -24.278 1.00 0.00 C ATOM 245 O ASP A 25 17.541 1.017 -23.364 1.00 0.00 O ATOM 246 CB ASP A 25 15.007 2.458 -24.211 1.00 0.00 C ATOM 247 CG ASP A 25 14.050 3.547 -23.723 1.00 0.00 C ATOM 248 OD1 ASP A 25 14.525 4.623 -23.395 1.00 0.00 O ATOM 249 OD2 ASP A 25 12.858 3.289 -23.686 1.00 0.00 O ATOM 0 H ASP A 25 16.388 3.560 -26.227 1.00 0.00 H new ATOM 0 HA ASP A 25 16.620 3.516 -23.236 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.746 2.157 -25.226 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.917 1.572 -23.583 1.00 0.00 H new ATOM 254 N ASP A 26 18.096 1.671 -25.385 1.00 0.00 N ATOM 255 CA ASP A 26 19.043 0.534 -25.533 1.00 0.00 C ATOM 256 C ASP A 26 20.116 0.612 -24.449 1.00 0.00 C ATOM 257 O ASP A 26 20.886 1.551 -24.400 1.00 0.00 O ATOM 258 CB ASP A 26 19.710 0.605 -26.906 1.00 0.00 C ATOM 259 CG ASP A 26 18.907 -0.228 -27.907 1.00 0.00 C ATOM 260 OD1 ASP A 26 17.762 0.115 -28.148 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.450 -1.195 -28.413 1.00 0.00 O ATOM 0 H ASP A 26 18.036 2.296 -26.189 1.00 0.00 H new ATOM 0 HA ASP A 26 18.496 -0.404 -25.436 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.767 1.641 -27.241 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.733 0.233 -26.845 1.00 0.00 H new ATOM 266 N LEU A 27 20.191 -0.363 -23.588 1.00 0.00 N ATOM 267 CA LEU A 27 21.233 -0.331 -22.526 1.00 0.00 C ATOM 268 C LEU A 27 22.552 -0.827 -23.131 1.00 0.00 C ATOM 269 O LEU A 27 22.579 -1.775 -23.890 1.00 0.00 O ATOM 270 CB LEU A 27 20.780 -1.223 -21.359 1.00 0.00 C ATOM 271 CG LEU A 27 21.985 -1.747 -20.571 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.681 -2.857 -21.363 1.00 0.00 C ATOM 273 CD2 LEU A 27 22.963 -0.601 -20.310 1.00 0.00 C ATOM 0 H LEU A 27 19.578 -1.178 -23.574 1.00 0.00 H new ATOM 0 HA LEU A 27 21.380 0.680 -22.145 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.125 -0.657 -20.696 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.198 -2.062 -21.742 1.00 0.00 H new ATOM 0 HG LEU A 27 21.644 -2.153 -19.618 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.537 -3.226 -20.798 1.00 0.00 H new ATOM 0 HD12 LEU A 27 21.981 -3.674 -21.536 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.021 -2.462 -22.320 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.820 -0.975 -19.749 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.303 -0.189 -21.260 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.465 0.179 -19.734 1.00 0.00 H new ATOM 285 N SER A 28 23.639 -0.176 -22.824 1.00 0.00 N ATOM 286 CA SER A 28 24.952 -0.587 -23.403 1.00 0.00 C ATOM 287 C SER A 28 25.590 -1.706 -22.575 1.00 0.00 C ATOM 288 O SER A 28 25.613 -1.664 -21.361 1.00 0.00 O ATOM 289 CB SER A 28 25.889 0.622 -23.411 1.00 0.00 C ATOM 290 OG SER A 28 26.551 0.716 -22.158 1.00 0.00 O ATOM 0 H SER A 28 23.676 0.626 -22.195 1.00 0.00 H new ATOM 0 HA SER A 28 24.788 -0.954 -24.416 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.620 0.524 -24.214 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.323 1.533 -23.605 1.00 0.00 H new ATOM 0 HG SER A 28 26.128 0.106 -21.518 1.00 0.00 H new ATOM 296 N PHE A 29 26.142 -2.691 -23.231 1.00 0.00 N ATOM 297 CA PHE A 29 26.814 -3.799 -22.497 1.00 0.00 C ATOM 298 C PHE A 29 28.097 -4.167 -23.244 1.00 0.00 C ATOM 299 O PHE A 29 28.176 -4.039 -24.449 1.00 0.00 O ATOM 300 CB PHE A 29 25.894 -5.022 -22.398 1.00 0.00 C ATOM 301 CG PHE A 29 25.229 -5.304 -23.726 1.00 0.00 C ATOM 302 CD1 PHE A 29 25.849 -6.148 -24.656 1.00 0.00 C ATOM 303 CD2 PHE A 29 23.980 -4.742 -24.017 1.00 0.00 C ATOM 304 CE1 PHE A 29 25.221 -6.429 -25.875 1.00 0.00 C ATOM 305 CE2 PHE A 29 23.354 -5.021 -25.239 1.00 0.00 C ATOM 306 CZ PHE A 29 23.973 -5.865 -26.167 1.00 0.00 C ATOM 0 H PHE A 29 26.156 -2.775 -24.247 1.00 0.00 H new ATOM 0 HA PHE A 29 27.049 -3.474 -21.483 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.471 -5.892 -22.083 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.134 -4.850 -21.635 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.812 -6.582 -24.432 1.00 0.00 H new ATOM 0 HD2 PHE A 29 23.499 -4.094 -23.300 1.00 0.00 H new ATOM 0 HE1 PHE A 29 25.699 -7.081 -26.591 1.00 0.00 H new ATOM 0 HE2 PHE A 29 22.393 -4.584 -25.465 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.489 -6.081 -27.108 1.00 0.00 H new ATOM 316 N LYS A 30 29.108 -4.609 -22.548 1.00 0.00 N ATOM 317 CA LYS A 30 30.378 -4.962 -23.243 1.00 0.00 C ATOM 318 C LYS A 30 30.563 -6.475 -23.238 1.00 0.00 C ATOM 319 O LYS A 30 30.287 -7.135 -22.256 1.00 0.00 O ATOM 320 CB LYS A 30 31.553 -4.309 -22.512 1.00 0.00 C ATOM 321 CG LYS A 30 32.851 -4.612 -23.261 1.00 0.00 C ATOM 322 CD LYS A 30 33.906 -5.113 -22.272 1.00 0.00 C ATOM 323 CE LYS A 30 34.292 -3.978 -21.321 1.00 0.00 C ATOM 324 NZ LYS A 30 35.772 -3.806 -21.327 1.00 0.00 N ATOM 0 H LYS A 30 29.111 -4.740 -21.536 1.00 0.00 H new ATOM 0 HA LYS A 30 30.338 -4.605 -24.272 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.401 -3.232 -22.447 1.00 0.00 H new ATOM 0 HB3 LYS A 30 31.614 -4.685 -21.491 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.673 -5.363 -24.030 1.00 0.00 H new ATOM 0 HG3 LYS A 30 33.209 -3.716 -23.768 1.00 0.00 H new ATOM 0 HD2 LYS A 30 33.517 -5.960 -21.706 1.00 0.00 H new ATOM 0 HD3 LYS A 30 34.786 -5.466 -22.810 1.00 0.00 H new ATOM 0 HE2 LYS A 30 33.806 -3.052 -21.627 1.00 0.00 H new ATOM 0 HE3 LYS A 30 33.945 -4.201 -20.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 36.034 -3.035 -20.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 36.225 -4.688 -21.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 36.091 -3.575 -22.290 1.00 0.00 H new ATOM 338 N LYS A 31 31.039 -7.037 -24.318 1.00 0.00 N ATOM 339 CA LYS A 31 31.244 -8.508 -24.340 1.00 0.00 C ATOM 340 C LYS A 31 31.885 -8.920 -23.015 1.00 0.00 C ATOM 341 O LYS A 31 32.566 -8.141 -22.379 1.00 0.00 O ATOM 342 CB LYS A 31 32.161 -8.900 -25.498 1.00 0.00 C ATOM 343 CG LYS A 31 33.430 -8.047 -25.461 1.00 0.00 C ATOM 344 CD LYS A 31 34.154 -8.152 -26.805 1.00 0.00 C ATOM 345 CE LYS A 31 35.186 -9.279 -26.742 1.00 0.00 C ATOM 346 NZ LYS A 31 35.305 -9.919 -28.083 1.00 0.00 N ATOM 0 H LYS A 31 31.291 -6.545 -25.175 1.00 0.00 H new ATOM 0 HA LYS A 31 30.287 -9.012 -24.475 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.419 -9.957 -25.429 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.644 -8.760 -26.447 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.176 -7.008 -25.253 1.00 0.00 H new ATOM 0 HG3 LYS A 31 34.084 -8.383 -24.656 1.00 0.00 H new ATOM 0 HD2 LYS A 31 33.437 -8.346 -27.602 1.00 0.00 H new ATOM 0 HD3 LYS A 31 34.645 -7.208 -27.040 1.00 0.00 H new ATOM 0 HE2 LYS A 31 36.152 -8.884 -26.428 1.00 0.00 H new ATOM 0 HE3 LYS A 31 34.888 -10.019 -25.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 36.007 -10.685 -28.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 34.383 -10.309 -28.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 35.609 -9.210 -28.780 1.00 0.00 H new ATOM 360 N GLY A 32 31.667 -10.129 -22.586 1.00 0.00 N ATOM 361 CA GLY A 32 32.260 -10.572 -21.292 1.00 0.00 C ATOM 362 C GLY A 32 31.434 -10.011 -20.126 1.00 0.00 C ATOM 363 O GLY A 32 31.522 -10.484 -19.011 1.00 0.00 O ATOM 0 H GLY A 32 31.106 -10.829 -23.072 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.282 -11.661 -21.244 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.292 -10.229 -21.217 1.00 0.00 H new ATOM 367 N GLU A 33 30.633 -9.005 -20.371 1.00 0.00 N ATOM 368 CA GLU A 33 29.807 -8.419 -19.274 1.00 0.00 C ATOM 369 C GLU A 33 28.543 -9.260 -19.076 1.00 0.00 C ATOM 370 O GLU A 33 28.070 -9.917 -19.981 1.00 0.00 O ATOM 371 CB GLU A 33 29.421 -6.981 -19.627 1.00 0.00 C ATOM 372 CG GLU A 33 29.263 -6.167 -18.341 1.00 0.00 C ATOM 373 CD GLU A 33 27.794 -6.163 -17.917 1.00 0.00 C ATOM 374 OE1 GLU A 33 26.945 -6.271 -18.787 1.00 0.00 O ATOM 375 OE2 GLU A 33 27.541 -6.051 -16.729 1.00 0.00 O ATOM 0 H GLU A 33 30.516 -8.565 -21.284 1.00 0.00 H new ATOM 0 HA GLU A 33 30.386 -8.417 -18.351 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.185 -6.533 -20.262 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.490 -6.971 -20.193 1.00 0.00 H new ATOM 0 HG2 GLU A 33 29.880 -6.594 -17.550 1.00 0.00 H new ATOM 0 HG3 GLU A 33 29.610 -5.146 -18.500 1.00 0.00 H new ATOM 382 N LYS A 34 28.001 -9.249 -17.885 1.00 0.00 N ATOM 383 CA LYS A 34 26.773 -10.051 -17.605 1.00 0.00 C ATOM 384 C LYS A 34 25.562 -9.125 -17.507 1.00 0.00 C ATOM 385 O LYS A 34 25.648 -8.010 -17.031 1.00 0.00 O ATOM 386 CB LYS A 34 26.948 -10.796 -16.280 1.00 0.00 C ATOM 387 CG LYS A 34 27.902 -11.975 -16.479 1.00 0.00 C ATOM 388 CD LYS A 34 29.282 -11.613 -15.927 1.00 0.00 C ATOM 389 CE LYS A 34 29.395 -12.098 -14.481 1.00 0.00 C ATOM 390 NZ LYS A 34 29.188 -10.949 -13.554 1.00 0.00 N ATOM 0 H LYS A 34 28.358 -8.717 -17.092 1.00 0.00 H new ATOM 0 HA LYS A 34 26.616 -10.765 -18.413 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.341 -10.121 -15.520 1.00 0.00 H new ATOM 0 HB3 LYS A 34 25.983 -11.152 -15.921 1.00 0.00 H new ATOM 0 HG2 LYS A 34 27.516 -12.859 -15.971 1.00 0.00 H new ATOM 0 HG3 LYS A 34 27.976 -12.222 -17.538 1.00 0.00 H new ATOM 0 HD2 LYS A 34 30.061 -12.070 -16.537 1.00 0.00 H new ATOM 0 HD3 LYS A 34 29.433 -10.534 -15.973 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.654 -12.873 -14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 34 30.375 -12.544 -14.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 29.430 -11.237 -12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 29.797 -10.157 -13.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 28.192 -10.651 -13.588 1.00 0.00 H new ATOM 404 N MET A 35 24.433 -9.585 -17.963 1.00 0.00 N ATOM 405 CA MET A 35 23.199 -8.757 -17.918 1.00 0.00 C ATOM 406 C MET A 35 22.018 -9.620 -17.479 1.00 0.00 C ATOM 407 O MET A 35 21.995 -10.818 -17.681 1.00 0.00 O ATOM 408 CB MET A 35 22.920 -8.197 -19.310 1.00 0.00 C ATOM 409 CG MET A 35 23.836 -6.997 -19.561 1.00 0.00 C ATOM 410 SD MET A 35 25.190 -7.486 -20.659 1.00 0.00 S ATOM 411 CE MET A 35 24.172 -8.219 -21.964 1.00 0.00 C ATOM 0 H MET A 35 24.311 -10.512 -18.370 1.00 0.00 H new ATOM 0 HA MET A 35 23.335 -7.940 -17.209 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.091 -8.964 -20.065 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.876 -7.896 -19.392 1.00 0.00 H new ATOM 0 HG2 MET A 35 23.269 -6.181 -20.008 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.236 -6.628 -18.616 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.573 -7.939 -22.938 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.181 -9.305 -21.866 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.148 -7.855 -21.875 1.00 0.00 H new ATOM 421 N LYS A 36 21.033 -9.009 -16.884 1.00 0.00 N ATOM 422 CA LYS A 36 19.838 -9.770 -16.428 1.00 0.00 C ATOM 423 C LYS A 36 18.607 -9.229 -17.154 1.00 0.00 C ATOM 424 O LYS A 36 18.408 -8.034 -17.235 1.00 0.00 O ATOM 425 CB LYS A 36 19.661 -9.585 -14.918 1.00 0.00 C ATOM 426 CG LYS A 36 19.943 -10.905 -14.199 1.00 0.00 C ATOM 427 CD LYS A 36 20.251 -10.626 -12.727 1.00 0.00 C ATOM 428 CE LYS A 36 19.363 -11.506 -11.844 1.00 0.00 C ATOM 429 NZ LYS A 36 18.873 -10.711 -10.683 1.00 0.00 N ATOM 0 H LYS A 36 21.005 -8.008 -16.693 1.00 0.00 H new ATOM 0 HA LYS A 36 19.965 -10.830 -16.648 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.337 -8.811 -14.555 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.647 -9.250 -14.700 1.00 0.00 H new ATOM 0 HG2 LYS A 36 19.082 -11.568 -14.282 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.785 -11.415 -14.668 1.00 0.00 H new ATOM 0 HD2 LYS A 36 21.302 -10.828 -12.520 1.00 0.00 H new ATOM 0 HD3 LYS A 36 20.078 -9.574 -12.501 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.519 -11.885 -12.421 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.924 -12.372 -11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.270 -11.309 -10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.684 -10.370 -10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.323 -9.898 -11.026 1.00 0.00 H new ATOM 443 N VAL A 37 17.782 -10.086 -17.689 1.00 0.00 N ATOM 444 CA VAL A 37 16.577 -9.585 -18.411 1.00 0.00 C ATOM 445 C VAL A 37 15.364 -9.621 -17.481 1.00 0.00 C ATOM 446 O VAL A 37 14.982 -10.660 -16.979 1.00 0.00 O ATOM 447 CB VAL A 37 16.303 -10.443 -19.648 1.00 0.00 C ATOM 448 CG1 VAL A 37 16.252 -9.546 -20.883 1.00 0.00 C ATOM 449 CG2 VAL A 37 17.414 -11.482 -19.819 1.00 0.00 C ATOM 0 H VAL A 37 17.887 -11.100 -17.659 1.00 0.00 H new ATOM 0 HA VAL A 37 16.761 -8.558 -18.728 1.00 0.00 H new ATOM 0 HB VAL A 37 15.349 -10.957 -19.525 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.057 -10.154 -21.766 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.456 -8.810 -20.766 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.206 -9.033 -20.999 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.212 -12.089 -20.702 1.00 0.00 H new ATOM 0 HG22 VAL A 37 18.371 -10.975 -19.939 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.451 -12.123 -18.938 1.00 0.00 H new ATOM 459 N LEU A 38 14.766 -8.487 -17.238 1.00 0.00 N ATOM 460 CA LEU A 38 13.584 -8.445 -16.331 1.00 0.00 C ATOM 461 C LEU A 38 12.298 -8.696 -17.122 1.00 0.00 C ATOM 462 O LEU A 38 11.293 -9.096 -16.567 1.00 0.00 O ATOM 463 CB LEU A 38 13.506 -7.070 -15.664 1.00 0.00 C ATOM 464 CG LEU A 38 14.908 -6.613 -15.256 1.00 0.00 C ATOM 465 CD1 LEU A 38 14.934 -5.088 -15.140 1.00 0.00 C ATOM 466 CD2 LEU A 38 15.274 -7.232 -13.906 1.00 0.00 C ATOM 0 H LEU A 38 15.045 -7.587 -17.629 1.00 0.00 H new ATOM 0 HA LEU A 38 13.692 -9.221 -15.573 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.063 -6.348 -16.349 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.859 -7.117 -14.788 1.00 0.00 H new ATOM 0 HG LEU A 38 15.627 -6.933 -16.010 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.933 -4.762 -14.849 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.673 -4.645 -16.101 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.214 -4.768 -14.386 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.273 -6.906 -13.615 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.554 -6.912 -13.152 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.256 -8.319 -13.987 1.00 0.00 H new ATOM 478 N GLU A 39 12.305 -8.464 -18.410 1.00 0.00 N ATOM 479 CA GLU A 39 11.064 -8.694 -19.200 1.00 0.00 C ATOM 480 C GLU A 39 11.427 -9.178 -20.604 1.00 0.00 C ATOM 481 O GLU A 39 12.351 -8.688 -21.221 1.00 0.00 O ATOM 482 CB GLU A 39 10.277 -7.386 -19.300 1.00 0.00 C ATOM 483 CG GLU A 39 10.159 -6.756 -17.911 1.00 0.00 C ATOM 484 CD GLU A 39 9.294 -5.495 -17.994 1.00 0.00 C ATOM 485 OE1 GLU A 39 8.082 -5.634 -18.018 1.00 0.00 O ATOM 486 OE2 GLU A 39 9.858 -4.415 -18.031 1.00 0.00 O ATOM 0 H GLU A 39 13.108 -8.129 -18.942 1.00 0.00 H new ATOM 0 HA GLU A 39 10.456 -9.451 -18.705 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.778 -6.699 -19.982 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.285 -7.576 -19.711 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.717 -7.468 -17.214 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.148 -6.507 -17.528 1.00 0.00 H new ATOM 493 N GLU A 40 10.701 -10.134 -21.113 1.00 0.00 N ATOM 494 CA GLU A 40 10.998 -10.646 -22.478 1.00 0.00 C ATOM 495 C GLU A 40 9.896 -10.190 -23.435 1.00 0.00 C ATOM 496 O GLU A 40 8.724 -10.240 -23.117 1.00 0.00 O ATOM 497 CB GLU A 40 11.054 -12.176 -22.450 1.00 0.00 C ATOM 498 CG GLU A 40 10.992 -12.717 -23.880 1.00 0.00 C ATOM 499 CD GLU A 40 11.487 -14.164 -23.899 1.00 0.00 C ATOM 500 OE1 GLU A 40 10.940 -14.967 -23.161 1.00 0.00 O ATOM 501 OE2 GLU A 40 12.405 -14.446 -24.653 1.00 0.00 O ATOM 0 H GLU A 40 9.915 -10.582 -20.642 1.00 0.00 H new ATOM 0 HA GLU A 40 11.959 -10.258 -22.815 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.972 -12.508 -21.964 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.223 -12.570 -21.865 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.970 -12.666 -24.256 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.605 -12.103 -24.540 1.00 0.00 H new ATOM 508 N HIS A 41 10.260 -9.750 -24.606 1.00 0.00 N ATOM 509 CA HIS A 41 9.238 -9.294 -25.586 1.00 0.00 C ATOM 510 C HIS A 41 9.367 -10.123 -26.864 1.00 0.00 C ATOM 511 O HIS A 41 9.217 -9.621 -27.959 1.00 0.00 O ATOM 512 CB HIS A 41 9.474 -7.819 -25.913 1.00 0.00 C ATOM 513 CG HIS A 41 9.271 -6.991 -24.675 1.00 0.00 C ATOM 514 ND1 HIS A 41 8.378 -5.931 -24.632 1.00 0.00 N ATOM 515 CD2 HIS A 41 9.840 -7.051 -23.427 1.00 0.00 C ATOM 516 CE1 HIS A 41 8.435 -5.402 -23.397 1.00 0.00 C ATOM 517 NE2 HIS A 41 9.311 -6.047 -22.622 1.00 0.00 N ATOM 0 H HIS A 41 11.226 -9.686 -24.927 1.00 0.00 H new ATOM 0 HA HIS A 41 8.240 -9.419 -25.165 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.485 -7.678 -26.296 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.788 -7.495 -26.696 1.00 0.00 H new ATOM 0 HD2 HIS A 41 10.585 -7.769 -23.117 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.844 -4.558 -23.071 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.542 -5.847 -21.649 1.00 0.00 H new ATOM 525 N GLY A 42 9.649 -11.390 -26.731 1.00 0.00 N ATOM 526 CA GLY A 42 9.793 -12.249 -27.938 1.00 0.00 C ATOM 527 C GLY A 42 11.258 -12.255 -28.384 1.00 0.00 C ATOM 528 O GLY A 42 12.100 -12.878 -27.769 1.00 0.00 O ATOM 0 H GLY A 42 9.786 -11.866 -25.839 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.464 -13.264 -27.717 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.158 -11.876 -28.742 1.00 0.00 H new ATOM 532 N GLU A 43 11.564 -11.572 -29.452 1.00 0.00 N ATOM 533 CA GLU A 43 12.971 -11.546 -29.942 1.00 0.00 C ATOM 534 C GLU A 43 13.737 -10.398 -29.276 1.00 0.00 C ATOM 535 O GLU A 43 14.937 -10.276 -29.427 1.00 0.00 O ATOM 536 CB GLU A 43 12.977 -11.348 -31.459 1.00 0.00 C ATOM 537 CG GLU A 43 12.104 -12.419 -32.115 1.00 0.00 C ATOM 538 CD GLU A 43 12.531 -13.802 -31.618 1.00 0.00 C ATOM 539 OE1 GLU A 43 12.190 -14.137 -30.495 1.00 0.00 O ATOM 540 OE2 GLU A 43 13.192 -14.500 -32.368 1.00 0.00 O ATOM 0 H GLU A 43 10.901 -11.031 -30.007 1.00 0.00 H new ATOM 0 HA GLU A 43 13.454 -12.491 -29.692 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.603 -10.355 -31.709 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.996 -11.410 -31.841 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.055 -12.244 -31.877 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.198 -12.366 -33.200 1.00 0.00 H new ATOM 547 N TRP A 44 13.062 -9.553 -28.545 1.00 0.00 N ATOM 548 CA TRP A 44 13.772 -8.420 -27.882 1.00 0.00 C ATOM 549 C TRP A 44 13.406 -8.378 -26.395 1.00 0.00 C ATOM 550 O TRP A 44 12.269 -8.578 -26.023 1.00 0.00 O ATOM 551 CB TRP A 44 13.361 -7.104 -28.546 1.00 0.00 C ATOM 552 CG TRP A 44 14.155 -6.908 -29.798 1.00 0.00 C ATOM 553 CD1 TRP A 44 13.915 -7.530 -30.975 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.308 -6.045 -30.017 1.00 0.00 C ATOM 555 NE1 TRP A 44 14.847 -7.103 -31.903 1.00 0.00 N ATOM 556 CE2 TRP A 44 15.728 -6.188 -31.362 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.023 -5.160 -29.190 1.00 0.00 C ATOM 558 CZ2 TRP A 44 16.818 -5.479 -31.866 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.122 -4.446 -29.695 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.518 -4.604 -31.031 1.00 0.00 C ATOM 0 H TRP A 44 12.057 -9.596 -28.378 1.00 0.00 H new ATOM 0 HA TRP A 44 14.848 -8.560 -27.983 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.296 -7.118 -28.777 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.528 -6.272 -27.862 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.125 -8.243 -31.160 1.00 0.00 H new ATOM 0 HE1 TRP A 44 14.880 -7.425 -32.870 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.725 -5.029 -28.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.119 -5.605 -32.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.666 -3.771 -29.050 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.363 -4.050 -31.414 1.00 0.00 H new ATOM 571 N TRP A 45 14.361 -8.114 -25.543 1.00 0.00 N ATOM 572 CA TRP A 45 14.054 -8.056 -24.083 1.00 0.00 C ATOM 573 C TRP A 45 14.796 -6.881 -23.445 1.00 0.00 C ATOM 574 O TRP A 45 15.692 -6.306 -24.032 1.00 0.00 O ATOM 575 CB TRP A 45 14.503 -9.347 -23.395 1.00 0.00 C ATOM 576 CG TRP A 45 14.642 -10.456 -24.389 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.679 -10.869 -25.245 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.798 -11.308 -24.632 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.172 -11.920 -25.997 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.475 -12.227 -25.655 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.086 -11.369 -24.067 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.395 -13.176 -26.103 1.00 0.00 C ATOM 583 CZ3 TRP A 45 18.014 -12.321 -24.515 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.669 -13.223 -25.530 1.00 0.00 C ATOM 0 H TRP A 45 15.334 -7.937 -25.792 1.00 0.00 H new ATOM 0 HA TRP A 45 12.978 -7.931 -23.962 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.455 -9.183 -22.890 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.780 -9.627 -22.629 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.688 -10.447 -25.328 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.639 -12.409 -26.716 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.361 -10.678 -23.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.125 -13.869 -26.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 19.000 -12.359 -24.075 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.387 -13.954 -25.870 1.00 0.00 H new ATOM 595 N LYS A 46 14.444 -6.536 -22.239 1.00 0.00 N ATOM 596 CA LYS A 46 15.140 -5.417 -21.548 1.00 0.00 C ATOM 597 C LYS A 46 15.967 -5.997 -20.400 1.00 0.00 C ATOM 598 O LYS A 46 15.456 -6.688 -19.542 1.00 0.00 O ATOM 599 CB LYS A 46 14.107 -4.431 -21.000 1.00 0.00 C ATOM 600 CG LYS A 46 14.711 -3.028 -20.950 1.00 0.00 C ATOM 601 CD LYS A 46 13.669 -2.041 -20.416 1.00 0.00 C ATOM 602 CE LYS A 46 14.370 -0.771 -19.931 1.00 0.00 C ATOM 603 NZ LYS A 46 13.586 0.424 -20.355 1.00 0.00 N ATOM 0 H LYS A 46 13.702 -6.982 -21.700 1.00 0.00 H new ATOM 0 HA LYS A 46 15.792 -4.890 -22.245 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.218 -4.433 -21.631 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.791 -4.737 -20.003 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.593 -3.023 -20.310 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.037 -2.726 -21.945 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.950 -1.796 -21.198 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.109 -2.494 -19.598 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.467 -0.789 -18.845 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.379 -0.721 -20.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.063 1.287 -20.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.515 0.443 -21.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.632 0.377 -19.944 1.00 0.00 H new ATOM 617 N ALA A 47 17.243 -5.740 -20.390 1.00 0.00 N ATOM 618 CA ALA A 47 18.105 -6.299 -19.311 1.00 0.00 C ATOM 619 C ALA A 47 18.754 -5.172 -18.506 1.00 0.00 C ATOM 620 O ALA A 47 18.428 -4.012 -18.656 1.00 0.00 O ATOM 621 CB ALA A 47 19.198 -7.167 -19.937 1.00 0.00 C ATOM 0 H ALA A 47 17.728 -5.168 -21.081 1.00 0.00 H new ATOM 0 HA ALA A 47 17.488 -6.899 -18.642 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.831 -7.578 -19.151 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.739 -7.982 -20.497 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.803 -6.560 -20.610 1.00 0.00 H new ATOM 627 N LYS A 48 19.677 -5.519 -17.648 1.00 0.00 N ATOM 628 CA LYS A 48 20.366 -4.491 -16.820 1.00 0.00 C ATOM 629 C LYS A 48 21.847 -4.859 -16.705 1.00 0.00 C ATOM 630 O LYS A 48 22.210 -6.018 -16.757 1.00 0.00 O ATOM 631 CB LYS A 48 19.734 -4.453 -15.426 1.00 0.00 C ATOM 632 CG LYS A 48 20.598 -3.599 -14.495 1.00 0.00 C ATOM 633 CD LYS A 48 19.800 -3.256 -13.236 1.00 0.00 C ATOM 634 CE LYS A 48 19.492 -4.539 -12.460 1.00 0.00 C ATOM 635 NZ LYS A 48 19.620 -4.278 -10.998 1.00 0.00 N ATOM 0 H LYS A 48 19.984 -6.478 -17.486 1.00 0.00 H new ATOM 0 HA LYS A 48 20.266 -3.510 -17.285 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.726 -4.041 -15.483 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.643 -5.464 -15.029 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.507 -4.138 -14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.907 -2.686 -15.003 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.367 -2.567 -12.610 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.873 -2.751 -13.507 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.484 -4.884 -12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.177 -5.332 -12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.411 -5.149 -10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.589 -3.968 -10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.949 -3.534 -10.718 1.00 0.00 H new ATOM 649 N SER A 49 22.710 -3.888 -16.567 1.00 0.00 N ATOM 650 CA SER A 49 24.163 -4.202 -16.472 1.00 0.00 C ATOM 651 C SER A 49 24.545 -4.446 -15.013 1.00 0.00 C ATOM 652 O SER A 49 24.302 -3.622 -14.154 1.00 0.00 O ATOM 653 CB SER A 49 24.977 -3.029 -17.021 1.00 0.00 C ATOM 654 OG SER A 49 26.239 -3.498 -17.473 1.00 0.00 O ATOM 0 H SER A 49 22.473 -2.897 -16.516 1.00 0.00 H new ATOM 0 HA SER A 49 24.375 -5.098 -17.055 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.440 -2.552 -17.841 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.114 -2.274 -16.247 1.00 0.00 H new ATOM 0 HG SER A 49 26.760 -2.747 -17.826 1.00 0.00 H new ATOM 660 N LEU A 50 25.140 -5.568 -14.722 1.00 0.00 N ATOM 661 CA LEU A 50 25.531 -5.851 -13.314 1.00 0.00 C ATOM 662 C LEU A 50 26.670 -4.910 -12.909 1.00 0.00 C ATOM 663 O LEU A 50 27.031 -4.816 -11.753 1.00 0.00 O ATOM 664 CB LEU A 50 25.997 -7.302 -13.190 1.00 0.00 C ATOM 665 CG LEU A 50 25.335 -7.946 -11.970 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.365 -9.035 -12.431 1.00 0.00 C ATOM 667 CD2 LEU A 50 26.411 -8.567 -11.075 1.00 0.00 C ATOM 0 H LEU A 50 25.372 -6.299 -15.395 1.00 0.00 H new ATOM 0 HA LEU A 50 24.674 -5.693 -12.659 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.739 -7.857 -14.092 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.082 -7.340 -13.091 1.00 0.00 H new ATOM 0 HG LEU A 50 24.789 -7.187 -11.410 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.893 -9.494 -11.562 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.599 -8.594 -13.069 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.910 -9.795 -12.991 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.941 -9.026 -10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 50 26.957 -9.326 -11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.103 -7.791 -10.746 1.00 0.00 H new ATOM 679 N LEU A 51 27.237 -4.215 -13.857 1.00 0.00 N ATOM 680 CA LEU A 51 28.354 -3.280 -13.539 1.00 0.00 C ATOM 681 C LEU A 51 27.791 -1.923 -13.119 1.00 0.00 C ATOM 682 O LEU A 51 28.105 -1.407 -12.064 1.00 0.00 O ATOM 683 CB LEU A 51 29.235 -3.101 -14.777 1.00 0.00 C ATOM 684 CG LEU A 51 30.265 -2.003 -14.514 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.110 -2.377 -13.294 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.173 -1.852 -15.737 1.00 0.00 C ATOM 0 H LEU A 51 26.974 -4.255 -14.842 1.00 0.00 H new ATOM 0 HA LEU A 51 28.946 -3.693 -12.722 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.739 -4.037 -15.017 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.621 -2.840 -15.639 1.00 0.00 H new ATOM 0 HG LEU A 51 29.751 -1.061 -14.324 1.00 0.00 H new ATOM 0 HD11 LEU A 51 31.845 -1.594 -13.106 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.464 -2.485 -12.423 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.624 -3.319 -13.483 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.908 -1.069 -15.550 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.687 -2.794 -15.927 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.572 -1.585 -16.606 1.00 0.00 H new ATOM 698 N THR A 52 26.961 -1.341 -13.936 1.00 0.00 N ATOM 699 CA THR A 52 26.375 -0.016 -13.587 1.00 0.00 C ATOM 700 C THR A 52 24.888 -0.182 -13.272 1.00 0.00 C ATOM 701 O THR A 52 24.167 0.782 -13.109 1.00 0.00 O ATOM 702 CB THR A 52 26.542 0.946 -14.767 1.00 0.00 C ATOM 703 OG1 THR A 52 25.661 2.048 -14.604 1.00 0.00 O ATOM 704 CG2 THR A 52 26.216 0.217 -16.071 1.00 0.00 C ATOM 0 H THR A 52 26.662 -1.725 -14.832 1.00 0.00 H new ATOM 0 HA THR A 52 26.889 0.388 -12.715 1.00 0.00 H new ATOM 0 HB THR A 52 27.571 1.305 -14.802 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.276 2.029 -13.703 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.335 0.902 -16.910 1.00 0.00 H new ATOM 0 HG22 THR A 52 26.893 -0.629 -16.194 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.188 -0.143 -16.039 1.00 0.00 H new ATOM 712 N LYS A 53 24.422 -1.397 -13.186 1.00 0.00 N ATOM 713 CA LYS A 53 22.983 -1.625 -12.880 1.00 0.00 C ATOM 714 C LYS A 53 22.116 -0.816 -13.844 1.00 0.00 C ATOM 715 O LYS A 53 20.995 -0.463 -13.537 1.00 0.00 O ATOM 716 CB LYS A 53 22.687 -1.190 -11.443 1.00 0.00 C ATOM 717 CG LYS A 53 23.590 -1.960 -10.479 1.00 0.00 C ATOM 718 CD LYS A 53 23.194 -1.630 -9.038 1.00 0.00 C ATOM 719 CE LYS A 53 24.097 -2.397 -8.070 1.00 0.00 C ATOM 720 NZ LYS A 53 25.525 -2.148 -8.417 1.00 0.00 N ATOM 0 H LYS A 53 24.977 -2.243 -13.315 1.00 0.00 H new ATOM 0 HA LYS A 53 22.757 -2.685 -12.993 1.00 0.00 H new ATOM 0 HB2 LYS A 53 22.853 -0.118 -11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.640 -1.376 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 53 23.500 -3.032 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.633 -1.695 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 53 23.283 -0.558 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 53 22.151 -1.896 -8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 53 23.901 -2.081 -7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 53 23.880 -3.464 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.104 -2.188 -7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.851 -2.873 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.618 -1.208 -8.852 1.00 0.00 H new ATOM 734 N LYS A 54 22.617 -0.534 -15.014 1.00 0.00 N ATOM 735 CA LYS A 54 21.808 0.235 -15.996 1.00 0.00 C ATOM 736 C LYS A 54 20.912 -0.743 -16.754 1.00 0.00 C ATOM 737 O LYS A 54 21.310 -1.849 -17.053 1.00 0.00 O ATOM 738 CB LYS A 54 22.737 0.949 -16.981 1.00 0.00 C ATOM 739 CG LYS A 54 23.236 2.254 -16.357 1.00 0.00 C ATOM 740 CD LYS A 54 22.649 3.442 -17.122 1.00 0.00 C ATOM 741 CE LYS A 54 23.643 4.604 -17.103 1.00 0.00 C ATOM 742 NZ LYS A 54 23.067 5.738 -16.326 1.00 0.00 N ATOM 0 H LYS A 54 23.549 -0.802 -15.331 1.00 0.00 H new ATOM 0 HA LYS A 54 21.200 0.979 -15.480 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.581 0.307 -17.232 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.208 1.157 -17.911 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.944 2.303 -15.308 1.00 0.00 H new ATOM 0 HG3 LYS A 54 24.325 2.291 -16.387 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.430 3.154 -18.150 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.706 3.749 -16.670 1.00 0.00 H new ATOM 0 HE2 LYS A 54 24.584 4.284 -16.656 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.866 4.923 -18.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 23.743 6.528 -16.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 22.180 6.048 -16.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.876 5.429 -15.351 1.00 0.00 H new ATOM 756 N GLU A 55 19.707 -0.353 -17.068 1.00 0.00 N ATOM 757 CA GLU A 55 18.805 -1.281 -17.805 1.00 0.00 C ATOM 758 C GLU A 55 18.447 -0.673 -19.159 1.00 0.00 C ATOM 759 O GLU A 55 18.371 0.529 -19.312 1.00 0.00 O ATOM 760 CB GLU A 55 17.532 -1.521 -16.990 1.00 0.00 C ATOM 761 CG GLU A 55 16.758 -0.208 -16.854 1.00 0.00 C ATOM 762 CD GLU A 55 16.001 -0.199 -15.525 1.00 0.00 C ATOM 763 OE1 GLU A 55 15.164 -1.067 -15.337 1.00 0.00 O ATOM 764 OE2 GLU A 55 16.272 0.673 -14.717 1.00 0.00 O ATOM 0 H GLU A 55 19.311 0.561 -16.848 1.00 0.00 H new ATOM 0 HA GLU A 55 19.312 -2.233 -17.960 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.911 -2.273 -17.478 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.787 -1.909 -16.004 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.444 0.638 -16.900 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.060 -0.097 -17.684 1.00 0.00 H new ATOM 771 N GLY A 56 18.232 -1.498 -20.145 1.00 0.00 N ATOM 772 CA GLY A 56 17.886 -0.974 -21.493 1.00 0.00 C ATOM 773 C GLY A 56 17.354 -2.115 -22.354 1.00 0.00 C ATOM 774 O GLY A 56 17.059 -3.188 -21.867 1.00 0.00 O ATOM 0 H GLY A 56 18.281 -2.514 -20.074 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.137 -0.186 -21.409 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.765 -0.529 -21.960 1.00 0.00 H new ATOM 778 N PHE A 57 17.239 -1.897 -23.630 1.00 0.00 N ATOM 779 CA PHE A 57 16.733 -2.980 -24.514 1.00 0.00 C ATOM 780 C PHE A 57 17.919 -3.703 -25.150 1.00 0.00 C ATOM 781 O PHE A 57 18.838 -3.092 -25.657 1.00 0.00 O ATOM 782 CB PHE A 57 15.837 -2.389 -25.605 1.00 0.00 C ATOM 783 CG PHE A 57 14.425 -2.896 -25.430 1.00 0.00 C ATOM 784 CD1 PHE A 57 14.178 -4.273 -25.384 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.365 -1.989 -25.314 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.869 -4.744 -25.222 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.056 -2.460 -25.152 1.00 0.00 C ATOM 788 CZ PHE A 57 11.808 -3.836 -25.106 1.00 0.00 C ATOM 0 H PHE A 57 17.472 -1.021 -24.099 1.00 0.00 H new ATOM 0 HA PHE A 57 16.148 -3.686 -23.925 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.853 -1.300 -25.552 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.214 -2.666 -26.589 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.996 -4.972 -25.473 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.557 -0.927 -25.349 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.677 -5.806 -25.187 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.238 -1.761 -25.063 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.798 -4.199 -24.981 1.00 0.00 H new ATOM 798 N ILE A 58 17.899 -5.005 -25.125 1.00 0.00 N ATOM 799 CA ILE A 58 19.018 -5.785 -25.726 1.00 0.00 C ATOM 800 C ILE A 58 18.445 -6.760 -26.753 1.00 0.00 C ATOM 801 O ILE A 58 17.396 -7.336 -26.548 1.00 0.00 O ATOM 802 CB ILE A 58 19.741 -6.567 -24.627 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.765 -7.545 -23.969 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.271 -5.593 -23.574 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.548 -8.551 -23.123 1.00 0.00 C ATOM 0 H ILE A 58 17.153 -5.566 -24.713 1.00 0.00 H new ATOM 0 HA ILE A 58 19.723 -5.110 -26.211 1.00 0.00 H new ATOM 0 HB ILE A 58 20.572 -7.121 -25.063 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.055 -7.003 -23.345 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.186 -8.067 -24.731 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.786 -6.149 -22.791 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.966 -4.895 -24.041 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.439 -5.040 -23.139 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.855 -9.249 -22.653 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.241 -9.101 -23.760 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.107 -8.021 -22.352 1.00 0.00 H new ATOM 817 N PRO A 59 19.140 -6.945 -27.885 1.00 0.00 N ATOM 818 CA PRO A 59 18.674 -7.850 -28.935 1.00 0.00 C ATOM 819 C PRO A 59 18.893 -9.310 -28.532 1.00 0.00 C ATOM 820 O PRO A 59 19.725 -9.608 -27.700 1.00 0.00 O ATOM 821 CB PRO A 59 19.547 -7.490 -30.135 1.00 0.00 C ATOM 822 CG PRO A 59 20.793 -6.909 -29.549 1.00 0.00 C ATOM 823 CD PRO A 59 20.417 -6.294 -28.225 1.00 0.00 C ATOM 0 HA PRO A 59 17.608 -7.747 -29.137 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.768 -8.370 -30.739 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.046 -6.774 -30.786 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.551 -7.681 -29.414 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.218 -6.158 -30.215 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.177 -6.483 -27.466 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.306 -5.212 -28.303 1.00 0.00 H new ATOM 831 N SER A 60 18.160 -10.229 -29.097 1.00 0.00 N ATOM 832 CA SER A 60 18.358 -11.651 -28.706 1.00 0.00 C ATOM 833 C SER A 60 19.437 -12.285 -29.584 1.00 0.00 C ATOM 834 O SER A 60 19.423 -13.474 -29.837 1.00 0.00 O ATOM 835 CB SER A 60 17.046 -12.415 -28.867 1.00 0.00 C ATOM 836 OG SER A 60 17.241 -13.772 -28.500 1.00 0.00 O ATOM 0 H SER A 60 17.443 -10.060 -29.802 1.00 0.00 H new ATOM 0 HA SER A 60 18.675 -11.696 -27.664 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.273 -11.966 -28.244 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.700 -12.352 -29.899 1.00 0.00 H new ATOM 0 HG SER A 60 17.515 -13.821 -27.560 1.00 0.00 H new ATOM 842 N ASN A 61 20.381 -11.510 -30.042 1.00 0.00 N ATOM 843 CA ASN A 61 21.463 -12.083 -30.893 1.00 0.00 C ATOM 844 C ASN A 61 22.816 -11.497 -30.471 1.00 0.00 C ATOM 845 O ASN A 61 23.842 -11.821 -31.034 1.00 0.00 O ATOM 846 CB ASN A 61 21.199 -11.747 -32.361 1.00 0.00 C ATOM 847 CG ASN A 61 19.900 -12.414 -32.823 1.00 0.00 C ATOM 848 OD1 ASN A 61 19.069 -12.779 -32.016 1.00 0.00 O ATOM 849 ND2 ASN A 61 19.689 -12.590 -34.098 1.00 0.00 N ATOM 0 H ASN A 61 20.451 -10.508 -29.865 1.00 0.00 H new ATOM 0 HA ASN A 61 21.481 -13.166 -30.768 1.00 0.00 H new ATOM 0 HB2 ASN A 61 21.129 -10.667 -32.489 1.00 0.00 H new ATOM 0 HB3 ASN A 61 22.032 -12.087 -32.976 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.827 -13.034 -34.416 1.00 0.00 H new ATOM 0 HD22 ASN A 61 20.386 -12.284 -34.777 1.00 0.00 H new ATOM 856 N TYR A 62 22.831 -10.649 -29.478 1.00 0.00 N ATOM 857 CA TYR A 62 24.123 -10.059 -29.020 1.00 0.00 C ATOM 858 C TYR A 62 24.502 -10.662 -27.664 1.00 0.00 C ATOM 859 O TYR A 62 25.661 -10.731 -27.305 1.00 0.00 O ATOM 860 CB TYR A 62 23.979 -8.542 -28.875 1.00 0.00 C ATOM 861 CG TYR A 62 24.291 -7.877 -30.194 1.00 0.00 C ATOM 862 CD1 TYR A 62 23.872 -8.464 -31.392 1.00 0.00 C ATOM 863 CD2 TYR A 62 25.002 -6.670 -30.216 1.00 0.00 C ATOM 864 CE1 TYR A 62 24.163 -7.847 -32.614 1.00 0.00 C ATOM 865 CE2 TYR A 62 25.293 -6.053 -31.439 1.00 0.00 C ATOM 866 CZ TYR A 62 24.873 -6.641 -32.637 1.00 0.00 C ATOM 867 OH TYR A 62 25.159 -6.031 -33.842 1.00 0.00 O ATOM 0 H TYR A 62 22.006 -10.339 -28.964 1.00 0.00 H new ATOM 0 HA TYR A 62 24.899 -10.279 -29.753 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.966 -8.291 -28.560 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.654 -8.174 -28.102 1.00 0.00 H new ATOM 0 HD1 TYR A 62 23.323 -9.394 -31.374 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.325 -6.216 -29.291 1.00 0.00 H new ATOM 0 HE1 TYR A 62 23.840 -8.301 -33.539 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.842 -5.123 -31.457 1.00 0.00 H new ATOM 0 HH TYR A 62 25.656 -5.202 -33.679 1.00 0.00 H new ATOM 877 N VAL A 63 23.531 -11.102 -26.910 1.00 0.00 N ATOM 878 CA VAL A 63 23.828 -11.705 -25.578 1.00 0.00 C ATOM 879 C VAL A 63 23.231 -13.109 -25.511 1.00 0.00 C ATOM 880 O VAL A 63 22.347 -13.453 -26.272 1.00 0.00 O ATOM 881 CB VAL A 63 23.204 -10.848 -24.475 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.673 -9.402 -24.622 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.677 -10.906 -24.584 1.00 0.00 C ATOM 0 H VAL A 63 22.542 -11.070 -27.159 1.00 0.00 H new ATOM 0 HA VAL A 63 24.908 -11.754 -25.440 1.00 0.00 H new ATOM 0 HB VAL A 63 23.513 -11.230 -23.502 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.227 -8.793 -23.835 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.759 -9.362 -24.541 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.368 -9.018 -25.595 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.233 -10.295 -23.798 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.367 -10.526 -25.558 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.343 -11.938 -24.474 1.00 0.00 H new