USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=11 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 52 THR OG1 : rot 10:sc= -0.946! USER MOD Set 1.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -97:sc= 0.792 USER MOD Single : A 23 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-5.1!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0194 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 135:sc= -6.87! (180deg=-10.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -0.982 K(o=-0.98,f=-3.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -113:sc= -0.28 (180deg=-1.71!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.234) USER MOD Single : A 60 SER OG : rot 59:sc= 0.233! USER MOD Single : A 61 ASN : amide:sc= -1.44! C(o=-1.4!,f=-3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 15.996 -14.360 -16.624 1.00 0.00 N ATOM 26 CA ASP A 11 17.048 -15.097 -17.378 1.00 0.00 C ATOM 27 C ASP A 11 18.364 -14.323 -17.297 1.00 0.00 C ATOM 28 O ASP A 11 18.395 -13.116 -17.436 1.00 0.00 O ATOM 29 CB ASP A 11 16.626 -15.233 -18.843 1.00 0.00 C ATOM 30 CG ASP A 11 16.374 -16.707 -19.164 1.00 0.00 C ATOM 31 OD1 ASP A 11 15.374 -17.232 -18.703 1.00 0.00 O ATOM 32 OD2 ASP A 11 17.186 -17.287 -19.867 1.00 0.00 O ATOM 0 HA ASP A 11 17.180 -16.089 -16.945 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.724 -14.650 -19.029 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.403 -14.835 -19.495 1.00 0.00 H new ATOM 37 N ILE A 12 19.453 -15.006 -17.078 1.00 0.00 N ATOM 38 CA ILE A 12 20.764 -14.304 -16.993 1.00 0.00 C ATOM 39 C ILE A 12 21.559 -14.562 -18.276 1.00 0.00 C ATOM 40 O ILE A 12 21.682 -15.683 -18.727 1.00 0.00 O ATOM 41 CB ILE A 12 21.550 -14.825 -15.788 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.667 -14.766 -14.539 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.793 -13.957 -15.574 1.00 0.00 C ATOM 44 CD1 ILE A 12 20.294 -13.312 -14.246 1.00 0.00 C ATOM 0 H ILE A 12 19.492 -16.018 -16.954 1.00 0.00 H new ATOM 0 HA ILE A 12 20.597 -13.233 -16.876 1.00 0.00 H new ATOM 0 HB ILE A 12 21.854 -15.856 -15.971 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.766 -15.360 -14.689 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.194 -15.196 -13.687 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.353 -14.328 -14.716 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.423 -13.998 -16.463 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.490 -12.926 -15.391 1.00 0.00 H new ATOM 0 HD11 ILE A 12 19.665 -13.270 -13.357 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.201 -12.731 -14.077 1.00 0.00 H new ATOM 0 HD13 ILE A 12 19.750 -12.898 -15.095 1.00 0.00 H new ATOM 56 N VAL A 13 22.086 -13.530 -18.872 1.00 0.00 N ATOM 57 CA VAL A 13 22.860 -13.705 -20.132 1.00 0.00 C ATOM 58 C VAL A 13 24.184 -12.948 -20.026 1.00 0.00 C ATOM 59 O VAL A 13 24.315 -12.017 -19.259 1.00 0.00 O ATOM 60 CB VAL A 13 22.052 -13.128 -21.295 1.00 0.00 C ATOM 61 CG1 VAL A 13 21.028 -14.160 -21.768 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.324 -11.864 -20.832 1.00 0.00 C ATOM 0 H VAL A 13 22.014 -12.569 -18.539 1.00 0.00 H new ATOM 0 HA VAL A 13 23.055 -14.765 -20.298 1.00 0.00 H new ATOM 0 HB VAL A 13 22.725 -12.881 -22.116 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.452 -13.748 -22.597 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.545 -15.061 -22.098 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.355 -14.408 -20.947 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.748 -11.452 -21.660 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.652 -12.112 -20.010 1.00 0.00 H new ATOM 0 HG23 VAL A 13 22.053 -11.127 -20.495 1.00 0.00 H new ATOM 72 N VAL A 14 25.160 -13.321 -20.807 1.00 0.00 N ATOM 73 CA VAL A 14 26.457 -12.588 -20.754 1.00 0.00 C ATOM 74 C VAL A 14 26.677 -11.873 -22.080 1.00 0.00 C ATOM 75 O VAL A 14 26.448 -12.421 -23.141 1.00 0.00 O ATOM 76 CB VAL A 14 27.627 -13.543 -20.501 1.00 0.00 C ATOM 77 CG1 VAL A 14 28.410 -13.060 -19.279 1.00 0.00 C ATOM 78 CG2 VAL A 14 27.115 -14.958 -20.254 1.00 0.00 C ATOM 0 H VAL A 14 25.118 -14.093 -21.473 1.00 0.00 H new ATOM 0 HA VAL A 14 26.414 -11.873 -19.933 1.00 0.00 H new ATOM 0 HB VAL A 14 28.275 -13.556 -21.378 1.00 0.00 H new ATOM 0 HG11 VAL A 14 29.245 -13.735 -19.092 1.00 0.00 H new ATOM 0 HG12 VAL A 14 28.790 -12.055 -19.464 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.754 -13.045 -18.409 1.00 0.00 H new ATOM 0 HG21 VAL A 14 27.959 -15.624 -20.076 1.00 0.00 H new ATOM 0 HG22 VAL A 14 26.460 -14.961 -19.383 1.00 0.00 H new ATOM 0 HG23 VAL A 14 26.559 -15.301 -21.127 1.00 0.00 H new ATOM 88 N ALA A 15 27.115 -10.652 -22.030 1.00 0.00 N ATOM 89 CA ALA A 15 27.347 -9.897 -23.286 1.00 0.00 C ATOM 90 C ALA A 15 28.336 -10.658 -24.167 1.00 0.00 C ATOM 91 O ALA A 15 29.484 -10.846 -23.814 1.00 0.00 O ATOM 92 CB ALA A 15 27.917 -8.517 -22.955 1.00 0.00 C ATOM 0 H ALA A 15 27.323 -10.142 -21.171 1.00 0.00 H new ATOM 0 HA ALA A 15 26.402 -9.783 -23.818 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.087 -7.963 -23.878 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.210 -7.972 -22.330 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.860 -8.631 -22.421 1.00 0.00 H new ATOM 98 N LEU A 16 27.905 -11.077 -25.323 1.00 0.00 N ATOM 99 CA LEU A 16 28.823 -11.798 -26.243 1.00 0.00 C ATOM 100 C LEU A 16 29.486 -10.756 -27.135 1.00 0.00 C ATOM 101 O LEU A 16 30.596 -10.921 -27.602 1.00 0.00 O ATOM 102 CB LEU A 16 28.027 -12.777 -27.107 1.00 0.00 C ATOM 103 CG LEU A 16 27.707 -14.030 -26.295 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.562 -14.791 -26.966 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.946 -14.926 -26.229 1.00 0.00 C ATOM 0 H LEU A 16 26.954 -10.950 -25.670 1.00 0.00 H new ATOM 0 HA LEU A 16 29.569 -12.359 -25.679 1.00 0.00 H new ATOM 0 HB2 LEU A 16 27.105 -12.308 -27.451 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.600 -13.043 -27.995 1.00 0.00 H new ATOM 0 HG LEU A 16 27.412 -13.744 -25.285 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.332 -15.686 -26.388 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.680 -14.153 -27.013 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.858 -15.077 -27.975 1.00 0.00 H new ATOM 0 HD21 LEU A 16 28.718 -15.820 -25.649 1.00 0.00 H new ATOM 0 HD22 LEU A 16 29.242 -15.213 -27.238 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.762 -14.383 -25.752 1.00 0.00 H new ATOM 117 N TYR A 17 28.796 -9.676 -27.362 1.00 0.00 N ATOM 118 CA TYR A 17 29.343 -8.589 -28.210 1.00 0.00 C ATOM 119 C TYR A 17 29.046 -7.247 -27.539 1.00 0.00 C ATOM 120 O TYR A 17 27.972 -7.032 -27.014 1.00 0.00 O ATOM 121 CB TYR A 17 28.663 -8.628 -29.580 1.00 0.00 C ATOM 122 CG TYR A 17 29.461 -9.505 -30.514 1.00 0.00 C ATOM 123 CD1 TYR A 17 30.689 -9.057 -31.014 1.00 0.00 C ATOM 124 CD2 TYR A 17 28.973 -10.764 -30.882 1.00 0.00 C ATOM 125 CE1 TYR A 17 31.431 -9.869 -31.881 1.00 0.00 C ATOM 126 CE2 TYR A 17 29.714 -11.577 -31.749 1.00 0.00 C ATOM 127 CZ TYR A 17 30.943 -11.129 -32.249 1.00 0.00 C ATOM 128 OH TYR A 17 31.672 -11.930 -33.103 1.00 0.00 O ATOM 0 H TYR A 17 27.863 -9.500 -26.990 1.00 0.00 H new ATOM 0 HA TYR A 17 30.419 -8.716 -28.333 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.647 -9.012 -29.483 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.585 -7.620 -29.988 1.00 0.00 H new ATOM 0 HD1 TYR A 17 31.065 -8.085 -30.731 1.00 0.00 H new ATOM 0 HD2 TYR A 17 28.025 -11.109 -30.497 1.00 0.00 H new ATOM 0 HE1 TYR A 17 32.379 -9.524 -32.266 1.00 0.00 H new ATOM 0 HE2 TYR A 17 29.338 -12.549 -32.032 1.00 0.00 H new ATOM 0 HH TYR A 17 31.191 -12.770 -33.254 1.00 0.00 H new ATOM 138 N PRO A 18 30.012 -6.324 -27.571 1.00 0.00 N ATOM 139 CA PRO A 18 29.859 -4.987 -26.981 1.00 0.00 C ATOM 140 C PRO A 18 28.697 -4.214 -27.612 1.00 0.00 C ATOM 141 O PRO A 18 28.459 -4.287 -28.801 1.00 0.00 O ATOM 142 CB PRO A 18 31.200 -4.313 -27.298 1.00 0.00 C ATOM 143 CG PRO A 18 31.711 -5.073 -28.474 1.00 0.00 C ATOM 144 CD PRO A 18 31.332 -6.495 -28.188 1.00 0.00 C ATOM 0 HA PRO A 18 29.630 -5.023 -25.916 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.071 -3.256 -27.530 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.887 -4.373 -26.454 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.261 -4.720 -29.402 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.790 -4.963 -28.581 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.287 -7.098 -29.095 1.00 0.00 H new ATOM 0 HD3 PRO A 18 32.039 -6.982 -27.516 1.00 0.00 H new ATOM 152 N TYR A 19 27.967 -3.481 -26.816 1.00 0.00 N ATOM 153 CA TYR A 19 26.812 -2.707 -27.352 1.00 0.00 C ATOM 154 C TYR A 19 26.879 -1.271 -26.833 1.00 0.00 C ATOM 155 O TYR A 19 26.895 -1.036 -25.640 1.00 0.00 O ATOM 156 CB TYR A 19 25.508 -3.354 -26.875 1.00 0.00 C ATOM 157 CG TYR A 19 24.343 -2.820 -27.679 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.721 -1.621 -27.305 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.881 -3.530 -28.794 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.639 -1.132 -28.049 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.800 -3.040 -29.536 1.00 0.00 C ATOM 162 CZ TYR A 19 22.178 -1.842 -29.163 1.00 0.00 C ATOM 163 OH TYR A 19 21.111 -1.362 -29.895 1.00 0.00 O ATOM 0 H TYR A 19 28.122 -3.385 -25.812 1.00 0.00 H new ATOM 0 HA TYR A 19 26.847 -2.705 -28.441 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.569 -4.437 -26.982 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.355 -3.147 -25.816 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.076 -1.074 -26.444 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.358 -4.455 -29.081 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.161 -0.207 -27.763 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.445 -3.587 -30.397 1.00 0.00 H new ATOM 0 HH TYR A 19 20.287 -1.805 -29.602 1.00 0.00 H new ATOM 173 N ASP A 20 26.911 -0.307 -27.710 1.00 0.00 N ATOM 174 CA ASP A 20 26.966 1.105 -27.245 1.00 0.00 C ATOM 175 C ASP A 20 25.576 1.725 -27.383 1.00 0.00 C ATOM 176 O ASP A 20 25.087 1.935 -28.474 1.00 0.00 O ATOM 177 CB ASP A 20 27.975 1.891 -28.085 1.00 0.00 C ATOM 178 CG ASP A 20 29.388 1.636 -27.557 1.00 0.00 C ATOM 179 OD1 ASP A 20 30.000 0.679 -28.001 1.00 0.00 O ATOM 180 OD2 ASP A 20 29.833 2.401 -26.719 1.00 0.00 O ATOM 0 H ASP A 20 26.902 -0.435 -28.722 1.00 0.00 H new ATOM 0 HA ASP A 20 27.281 1.138 -26.202 1.00 0.00 H new ATOM 0 HB2 ASP A 20 27.906 1.590 -29.130 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.747 2.956 -28.044 1.00 0.00 H new ATOM 185 N GLY A 21 24.938 2.002 -26.275 1.00 0.00 N ATOM 186 CA GLY A 21 23.568 2.594 -26.306 1.00 0.00 C ATOM 187 C GLY A 21 23.362 3.413 -27.582 1.00 0.00 C ATOM 188 O GLY A 21 23.609 4.602 -27.614 1.00 0.00 O ATOM 0 H GLY A 21 25.313 1.841 -25.340 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.822 1.801 -26.253 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.421 3.229 -25.432 1.00 0.00 H new ATOM 192 N ILE A 22 22.896 2.789 -28.630 1.00 0.00 N ATOM 193 CA ILE A 22 22.658 3.536 -29.896 1.00 0.00 C ATOM 194 C ILE A 22 21.201 3.999 -29.919 1.00 0.00 C ATOM 195 O ILE A 22 20.816 4.850 -30.694 1.00 0.00 O ATOM 196 CB ILE A 22 22.929 2.623 -31.092 1.00 0.00 C ATOM 197 CG1 ILE A 22 24.437 2.398 -31.235 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.389 3.276 -32.366 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.724 0.898 -31.303 1.00 0.00 C ATOM 0 H ILE A 22 22.670 1.795 -28.663 1.00 0.00 H new ATOM 0 HA ILE A 22 23.324 4.397 -29.953 1.00 0.00 H new ATOM 0 HB ILE A 22 22.433 1.665 -30.935 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.805 2.891 -32.135 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.964 2.842 -30.390 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.582 2.625 -33.219 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.315 3.435 -32.267 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.884 4.234 -32.522 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.797 0.737 -31.405 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.370 0.418 -30.391 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.210 0.468 -32.162 1.00 0.00 H new ATOM 211 N HIS A 23 20.393 3.438 -29.060 1.00 0.00 N ATOM 212 CA HIS A 23 18.959 3.832 -29.004 1.00 0.00 C ATOM 213 C HIS A 23 18.693 4.541 -27.674 1.00 0.00 C ATOM 214 O HIS A 23 19.552 4.612 -26.819 1.00 0.00 O ATOM 215 CB HIS A 23 18.085 2.580 -29.098 1.00 0.00 C ATOM 216 CG HIS A 23 17.438 2.518 -30.455 1.00 0.00 C ATOM 217 ND1 HIS A 23 16.927 3.643 -31.083 1.00 0.00 N ATOM 218 CD2 HIS A 23 17.213 1.473 -31.316 1.00 0.00 C ATOM 219 CE1 HIS A 23 16.422 3.252 -32.267 1.00 0.00 C ATOM 220 NE2 HIS A 23 16.571 1.939 -32.460 1.00 0.00 N ATOM 0 H HIS A 23 20.668 2.719 -28.391 1.00 0.00 H new ATOM 0 HA HIS A 23 18.724 4.499 -29.833 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.690 1.689 -28.931 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.322 2.598 -28.320 1.00 0.00 H new ATOM 0 HD2 HIS A 23 17.492 0.446 -31.134 1.00 0.00 H new ATOM 0 HE1 HIS A 23 15.953 3.919 -32.975 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.278 1.395 -33.271 1.00 0.00 H new ATOM 228 N PRO A 24 17.476 5.075 -27.500 1.00 0.00 N ATOM 229 CA PRO A 24 17.096 5.782 -26.272 1.00 0.00 C ATOM 230 C PRO A 24 16.946 4.828 -25.083 1.00 0.00 C ATOM 231 O PRO A 24 17.234 5.180 -23.956 1.00 0.00 O ATOM 232 CB PRO A 24 15.745 6.404 -26.620 1.00 0.00 C ATOM 233 CG PRO A 24 15.197 5.533 -27.702 1.00 0.00 C ATOM 234 CD PRO A 24 16.381 5.036 -28.483 1.00 0.00 C ATOM 0 HA PRO A 24 17.850 6.509 -25.971 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.083 6.424 -25.754 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.858 7.434 -26.959 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.631 4.701 -27.283 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.515 6.092 -28.343 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.217 4.028 -28.863 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.590 5.671 -29.344 1.00 0.00 H new ATOM 242 N ASP A 25 16.487 3.632 -25.318 1.00 0.00 N ATOM 243 CA ASP A 25 16.311 2.671 -24.191 1.00 0.00 C ATOM 244 C ASP A 25 17.319 1.523 -24.307 1.00 0.00 C ATOM 245 O ASP A 25 17.458 0.721 -23.406 1.00 0.00 O ATOM 246 CB ASP A 25 14.892 2.103 -24.231 1.00 0.00 C ATOM 247 CG ASP A 25 13.881 3.241 -24.081 1.00 0.00 C ATOM 248 OD1 ASP A 25 14.051 4.249 -24.746 1.00 0.00 O ATOM 249 OD2 ASP A 25 12.955 3.086 -23.303 1.00 0.00 O ATOM 0 H ASP A 25 16.226 3.277 -26.238 1.00 0.00 H new ATOM 0 HA ASP A 25 16.478 3.194 -23.249 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.726 1.577 -25.171 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.758 1.375 -23.431 1.00 0.00 H new ATOM 254 N ASP A 26 18.017 1.427 -25.405 1.00 0.00 N ATOM 255 CA ASP A 26 19.002 0.319 -25.561 1.00 0.00 C ATOM 256 C ASP A 26 20.064 0.412 -24.463 1.00 0.00 C ATOM 257 O ASP A 26 20.769 1.396 -24.358 1.00 0.00 O ATOM 258 CB ASP A 26 19.682 0.436 -26.926 1.00 0.00 C ATOM 259 CG ASP A 26 19.055 -0.567 -27.896 1.00 0.00 C ATOM 260 OD1 ASP A 26 18.037 -0.239 -28.482 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.604 -1.648 -28.035 1.00 0.00 O ATOM 0 H ASP A 26 17.949 2.065 -26.198 1.00 0.00 H new ATOM 0 HA ASP A 26 18.483 -0.637 -25.485 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.573 1.449 -27.313 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.751 0.245 -26.829 1.00 0.00 H new ATOM 266 N LEU A 27 20.201 -0.603 -23.653 1.00 0.00 N ATOM 267 CA LEU A 27 21.234 -0.559 -22.580 1.00 0.00 C ATOM 268 C LEU A 27 22.571 -1.010 -23.179 1.00 0.00 C ATOM 269 O LEU A 27 22.635 -1.966 -23.925 1.00 0.00 O ATOM 270 CB LEU A 27 20.807 -1.483 -21.430 1.00 0.00 C ATOM 271 CG LEU A 27 22.018 -1.900 -20.587 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.791 -3.005 -21.311 1.00 0.00 C ATOM 273 CD2 LEU A 27 22.931 -0.693 -20.356 1.00 0.00 C ATOM 0 H LEU A 27 19.645 -1.457 -23.688 1.00 0.00 H new ATOM 0 HA LEU A 27 21.342 0.451 -22.185 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.078 -0.973 -20.800 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.316 -2.369 -21.833 1.00 0.00 H new ATOM 0 HG LEU A 27 21.673 -2.274 -19.623 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.651 -3.300 -20.711 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.140 -3.866 -21.461 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.133 -2.636 -22.278 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.790 -0.996 -19.756 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.276 -0.309 -21.316 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.378 0.086 -19.831 1.00 0.00 H new ATOM 285 N SER A 28 23.635 -0.316 -22.877 1.00 0.00 N ATOM 286 CA SER A 28 24.961 -0.689 -23.448 1.00 0.00 C ATOM 287 C SER A 28 25.620 -1.787 -22.607 1.00 0.00 C ATOM 288 O SER A 28 25.638 -1.733 -21.394 1.00 0.00 O ATOM 289 CB SER A 28 25.866 0.544 -23.459 1.00 0.00 C ATOM 290 OG SER A 28 26.739 0.504 -22.341 1.00 0.00 O ATOM 0 H SER A 28 23.643 0.495 -22.258 1.00 0.00 H new ATOM 0 HA SER A 28 24.816 -1.061 -24.462 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.443 0.575 -24.383 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.262 1.451 -23.429 1.00 0.00 H new ATOM 0 HG SER A 28 27.319 1.294 -22.350 1.00 0.00 H new ATOM 296 N PHE A 29 26.189 -2.770 -23.252 1.00 0.00 N ATOM 297 CA PHE A 29 26.875 -3.861 -22.504 1.00 0.00 C ATOM 298 C PHE A 29 28.155 -4.238 -23.249 1.00 0.00 C ATOM 299 O PHE A 29 28.228 -4.131 -24.458 1.00 0.00 O ATOM 300 CB PHE A 29 25.961 -5.086 -22.393 1.00 0.00 C ATOM 301 CG PHE A 29 25.283 -5.372 -23.713 1.00 0.00 C ATOM 302 CD1 PHE A 29 25.920 -6.170 -24.672 1.00 0.00 C ATOM 303 CD2 PHE A 29 24.006 -4.857 -23.969 1.00 0.00 C ATOM 304 CE1 PHE A 29 25.281 -6.451 -25.886 1.00 0.00 C ATOM 305 CE2 PHE A 29 23.366 -5.142 -25.182 1.00 0.00 C ATOM 306 CZ PHE A 29 24.003 -5.938 -26.141 1.00 0.00 C ATOM 0 H PHE A 29 26.208 -2.864 -24.267 1.00 0.00 H new ATOM 0 HA PHE A 29 27.115 -3.517 -21.498 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.544 -5.953 -22.083 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.209 -4.916 -21.622 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.904 -6.569 -24.475 1.00 0.00 H new ATOM 0 HD2 PHE A 29 23.515 -4.240 -23.231 1.00 0.00 H new ATOM 0 HE1 PHE A 29 25.774 -7.064 -26.626 1.00 0.00 H new ATOM 0 HE2 PHE A 29 22.380 -4.747 -25.377 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.510 -6.156 -27.077 1.00 0.00 H new ATOM 316 N LYS A 30 29.170 -4.668 -22.552 1.00 0.00 N ATOM 317 CA LYS A 30 30.435 -5.035 -23.249 1.00 0.00 C ATOM 318 C LYS A 30 30.596 -6.552 -23.241 1.00 0.00 C ATOM 319 O LYS A 30 30.366 -7.199 -22.239 1.00 0.00 O ATOM 320 CB LYS A 30 31.621 -4.392 -22.527 1.00 0.00 C ATOM 321 CG LYS A 30 32.212 -3.284 -23.401 1.00 0.00 C ATOM 322 CD LYS A 30 31.529 -1.955 -23.070 1.00 0.00 C ATOM 323 CE LYS A 30 32.575 -0.839 -23.037 1.00 0.00 C ATOM 324 NZ LYS A 30 32.432 0.012 -24.251 1.00 0.00 N ATOM 0 H LYS A 30 29.179 -4.781 -21.538 1.00 0.00 H new ATOM 0 HA LYS A 30 30.400 -4.678 -24.278 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.299 -3.982 -21.570 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.380 -5.144 -22.312 1.00 0.00 H new ATOM 0 HG2 LYS A 30 33.286 -3.206 -23.231 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.073 -3.524 -24.455 1.00 0.00 H new ATOM 0 HD2 LYS A 30 30.766 -1.731 -23.815 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.024 -2.023 -22.107 1.00 0.00 H new ATOM 0 HE2 LYS A 30 32.449 -0.234 -22.139 1.00 0.00 H new ATOM 0 HE3 LYS A 30 33.577 -1.266 -22.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 33.143 0.771 -24.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 32.573 -0.570 -25.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 31.480 0.430 -24.272 1.00 0.00 H new ATOM 338 N LYS A 31 30.996 -7.128 -24.345 1.00 0.00 N ATOM 339 CA LYS A 31 31.175 -8.606 -24.379 1.00 0.00 C ATOM 340 C LYS A 31 31.780 -9.052 -23.045 1.00 0.00 C ATOM 341 O LYS A 31 32.438 -8.288 -22.366 1.00 0.00 O ATOM 342 CB LYS A 31 32.102 -9.000 -25.529 1.00 0.00 C ATOM 343 CG LYS A 31 33.420 -8.232 -25.408 1.00 0.00 C ATOM 344 CD LYS A 31 34.450 -9.099 -24.682 1.00 0.00 C ATOM 345 CE LYS A 31 35.422 -8.201 -23.914 1.00 0.00 C ATOM 346 NZ LYS A 31 36.433 -9.046 -23.217 1.00 0.00 N ATOM 0 H LYS A 31 31.204 -6.642 -25.217 1.00 0.00 H new ATOM 0 HA LYS A 31 30.211 -9.091 -24.534 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.291 -10.073 -25.507 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.627 -8.780 -26.485 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.789 -7.963 -26.398 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.262 -7.302 -24.862 1.00 0.00 H new ATOM 0 HD2 LYS A 31 33.948 -9.781 -23.995 1.00 0.00 H new ATOM 0 HD3 LYS A 31 34.995 -9.713 -25.399 1.00 0.00 H new ATOM 0 HE2 LYS A 31 35.917 -7.513 -24.599 1.00 0.00 H new ATOM 0 HE3 LYS A 31 34.878 -7.594 -23.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 37.094 -8.436 -22.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 35.952 -9.685 -22.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 36.959 -9.607 -23.917 1.00 0.00 H new ATOM 360 N GLY A 32 31.558 -10.278 -22.657 1.00 0.00 N ATOM 361 CA GLY A 32 32.112 -10.770 -21.361 1.00 0.00 C ATOM 362 C GLY A 32 31.347 -10.147 -20.184 1.00 0.00 C ATOM 363 O GLY A 32 31.429 -10.620 -19.068 1.00 0.00 O ATOM 0 H GLY A 32 31.015 -10.963 -23.183 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.040 -11.857 -21.316 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.170 -10.517 -21.291 1.00 0.00 H new ATOM 367 N GLU A 33 30.597 -9.101 -20.415 1.00 0.00 N ATOM 368 CA GLU A 33 29.828 -8.476 -19.298 1.00 0.00 C ATOM 369 C GLU A 33 28.557 -9.292 -19.053 1.00 0.00 C ATOM 370 O GLU A 33 28.088 -10.005 -19.917 1.00 0.00 O ATOM 371 CB GLU A 33 29.467 -7.032 -19.649 1.00 0.00 C ATOM 372 CG GLU A 33 29.240 -6.236 -18.362 1.00 0.00 C ATOM 373 CD GLU A 33 30.513 -5.462 -18.010 1.00 0.00 C ATOM 374 OE1 GLU A 33 31.405 -6.059 -17.433 1.00 0.00 O ATOM 375 OE2 GLU A 33 30.572 -4.284 -18.325 1.00 0.00 O ATOM 0 H GLU A 33 30.484 -8.654 -21.325 1.00 0.00 H new ATOM 0 HA GLU A 33 30.438 -8.468 -18.395 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.267 -6.578 -20.234 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.569 -7.010 -20.266 1.00 0.00 H new ATOM 0 HG2 GLU A 33 28.406 -5.546 -18.491 1.00 0.00 H new ATOM 0 HG3 GLU A 33 28.974 -6.909 -17.547 1.00 0.00 H new ATOM 382 N LYS A 34 28.011 -9.211 -17.868 1.00 0.00 N ATOM 383 CA LYS A 34 26.786 -10.000 -17.553 1.00 0.00 C ATOM 384 C LYS A 34 25.566 -9.082 -17.482 1.00 0.00 C ATOM 385 O LYS A 34 25.644 -7.953 -17.040 1.00 0.00 O ATOM 386 CB LYS A 34 26.969 -10.700 -16.206 1.00 0.00 C ATOM 387 CG LYS A 34 28.332 -11.395 -16.171 1.00 0.00 C ATOM 388 CD LYS A 34 28.886 -11.359 -14.745 1.00 0.00 C ATOM 389 CE LYS A 34 30.336 -11.846 -14.750 1.00 0.00 C ATOM 390 NZ LYS A 34 30.361 -13.332 -14.639 1.00 0.00 N ATOM 0 H LYS A 34 28.361 -8.632 -17.105 1.00 0.00 H new ATOM 0 HA LYS A 34 26.629 -10.738 -18.339 1.00 0.00 H new ATOM 0 HB2 LYS A 34 26.898 -9.975 -15.395 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.173 -11.429 -16.052 1.00 0.00 H new ATOM 0 HG2 LYS A 34 28.235 -12.427 -16.509 1.00 0.00 H new ATOM 0 HG3 LYS A 34 29.023 -10.900 -16.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 28.833 -10.345 -14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 34 28.282 -11.989 -14.092 1.00 0.00 H new ATOM 0 HE2 LYS A 34 30.834 -11.531 -15.667 1.00 0.00 H new ATOM 0 HE3 LYS A 34 30.884 -11.399 -13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 31.347 -13.664 -14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 29.901 -13.622 -13.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 29.853 -13.749 -15.445 1.00 0.00 H new ATOM 404 N MET A 35 24.442 -9.570 -17.920 1.00 0.00 N ATOM 405 CA MET A 35 23.196 -8.759 -17.897 1.00 0.00 C ATOM 406 C MET A 35 22.022 -9.649 -17.496 1.00 0.00 C ATOM 407 O MET A 35 22.041 -10.848 -17.689 1.00 0.00 O ATOM 408 CB MET A 35 22.944 -8.192 -19.292 1.00 0.00 C ATOM 409 CG MET A 35 23.888 -7.011 -19.532 1.00 0.00 C ATOM 410 SD MET A 35 25.159 -7.484 -20.730 1.00 0.00 S ATOM 411 CE MET A 35 24.053 -8.208 -21.964 1.00 0.00 C ATOM 0 H MET A 35 24.332 -10.511 -18.299 1.00 0.00 H new ATOM 0 HA MET A 35 23.299 -7.945 -17.180 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.107 -8.962 -20.046 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.907 -7.869 -19.385 1.00 0.00 H new ATOM 0 HG2 MET A 35 23.327 -6.153 -19.902 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.353 -6.707 -18.594 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.338 -7.860 -22.957 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.126 -9.295 -21.925 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.027 -7.906 -21.755 1.00 0.00 H new ATOM 421 N LYS A 36 20.996 -9.065 -16.944 1.00 0.00 N ATOM 422 CA LYS A 36 19.809 -9.866 -16.533 1.00 0.00 C ATOM 423 C LYS A 36 18.578 -9.316 -17.249 1.00 0.00 C ATOM 424 O LYS A 36 18.423 -8.122 -17.398 1.00 0.00 O ATOM 425 CB LYS A 36 19.615 -9.756 -15.019 1.00 0.00 C ATOM 426 CG LYS A 36 18.626 -10.825 -14.553 1.00 0.00 C ATOM 427 CD LYS A 36 17.232 -10.209 -14.423 1.00 0.00 C ATOM 428 CE LYS A 36 16.908 -9.990 -12.943 1.00 0.00 C ATOM 429 NZ LYS A 36 16.329 -11.240 -12.372 1.00 0.00 N ATOM 0 H LYS A 36 20.928 -8.064 -16.759 1.00 0.00 H new ATOM 0 HA LYS A 36 19.956 -10.913 -16.797 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.570 -9.882 -14.509 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.244 -8.764 -14.760 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.605 -11.651 -15.264 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.944 -11.237 -13.595 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.190 -9.261 -14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.489 -10.865 -14.876 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.811 -9.713 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.203 -9.166 -12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.108 -11.093 -11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.458 -11.485 -12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.016 -12.015 -12.466 1.00 0.00 H new ATOM 443 N VAL A 37 17.705 -10.171 -17.704 1.00 0.00 N ATOM 444 CA VAL A 37 16.498 -9.671 -18.421 1.00 0.00 C ATOM 445 C VAL A 37 15.294 -9.663 -17.477 1.00 0.00 C ATOM 446 O VAL A 37 14.889 -10.684 -16.958 1.00 0.00 O ATOM 447 CB VAL A 37 16.199 -10.570 -19.619 1.00 0.00 C ATOM 448 CG1 VAL A 37 15.518 -9.749 -20.711 1.00 0.00 C ATOM 449 CG2 VAL A 37 17.505 -11.159 -20.157 1.00 0.00 C ATOM 0 H VAL A 37 17.773 -11.185 -17.612 1.00 0.00 H new ATOM 0 HA VAL A 37 16.689 -8.655 -18.768 1.00 0.00 H new ATOM 0 HB VAL A 37 15.539 -11.381 -19.310 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.304 -10.389 -21.567 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.587 -9.333 -20.326 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.177 -8.938 -21.020 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.290 -11.800 -21.012 1.00 0.00 H new ATOM 0 HG22 VAL A 37 18.168 -10.351 -20.467 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.989 -11.746 -19.376 1.00 0.00 H new ATOM 459 N LEU A 38 14.725 -8.511 -17.247 1.00 0.00 N ATOM 460 CA LEU A 38 13.552 -8.428 -16.333 1.00 0.00 C ATOM 461 C LEU A 38 12.254 -8.607 -17.126 1.00 0.00 C ATOM 462 O LEU A 38 11.228 -8.952 -16.573 1.00 0.00 O ATOM 463 CB LEU A 38 13.540 -7.060 -15.647 1.00 0.00 C ATOM 464 CG LEU A 38 14.976 -6.566 -15.467 1.00 0.00 C ATOM 465 CD1 LEU A 38 15.308 -5.553 -16.564 1.00 0.00 C ATOM 466 CD2 LEU A 38 15.118 -5.901 -14.097 1.00 0.00 C ATOM 0 H LEU A 38 15.022 -7.624 -17.653 1.00 0.00 H new ATOM 0 HA LEU A 38 13.626 -9.218 -15.585 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.971 -6.347 -16.244 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.045 -7.131 -14.679 1.00 0.00 H new ATOM 0 HG LEU A 38 15.662 -7.410 -15.533 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.331 -5.201 -16.436 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.207 -6.027 -17.540 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.622 -4.708 -16.499 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.141 -5.549 -13.968 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.432 -5.056 -14.030 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.882 -6.623 -13.316 1.00 0.00 H new ATOM 478 N GLU A 39 12.279 -8.376 -18.412 1.00 0.00 N ATOM 479 CA GLU A 39 11.032 -8.535 -19.210 1.00 0.00 C ATOM 480 C GLU A 39 11.371 -9.082 -20.596 1.00 0.00 C ATOM 481 O GLU A 39 12.327 -8.667 -21.222 1.00 0.00 O ATOM 482 CB GLU A 39 10.342 -7.177 -19.354 1.00 0.00 C ATOM 483 CG GLU A 39 9.004 -7.358 -20.072 1.00 0.00 C ATOM 484 CD GLU A 39 8.148 -6.105 -19.877 1.00 0.00 C ATOM 485 OE1 GLU A 39 8.720 -5.040 -19.714 1.00 0.00 O ATOM 486 OE2 GLU A 39 6.934 -6.232 -19.894 1.00 0.00 O ATOM 0 H GLU A 39 13.103 -8.086 -18.939 1.00 0.00 H new ATOM 0 HA GLU A 39 10.366 -9.232 -18.701 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.182 -6.732 -18.372 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.978 -6.492 -19.915 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.170 -7.536 -21.134 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.484 -8.232 -19.680 1.00 0.00 H new ATOM 493 N GLU A 40 10.590 -10.005 -21.084 1.00 0.00 N ATOM 494 CA GLU A 40 10.859 -10.574 -22.433 1.00 0.00 C ATOM 495 C GLU A 40 9.795 -10.068 -23.408 1.00 0.00 C ATOM 496 O GLU A 40 8.616 -10.087 -23.118 1.00 0.00 O ATOM 497 CB GLU A 40 10.808 -12.101 -22.366 1.00 0.00 C ATOM 498 CG GLU A 40 12.169 -12.675 -22.767 1.00 0.00 C ATOM 499 CD GLU A 40 12.376 -14.026 -22.078 1.00 0.00 C ATOM 500 OE1 GLU A 40 12.589 -14.030 -20.877 1.00 0.00 O ATOM 501 OE2 GLU A 40 12.318 -15.034 -22.764 1.00 0.00 O ATOM 0 H GLU A 40 9.776 -10.390 -20.606 1.00 0.00 H new ATOM 0 HA GLU A 40 11.847 -10.264 -22.772 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.548 -12.423 -21.357 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.032 -12.479 -23.031 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.220 -12.795 -23.849 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.964 -11.985 -22.485 1.00 0.00 H new ATOM 508 N HIS A 41 10.200 -9.615 -24.562 1.00 0.00 N ATOM 509 CA HIS A 41 9.212 -9.109 -25.552 1.00 0.00 C ATOM 510 C HIS A 41 9.338 -9.910 -26.849 1.00 0.00 C ATOM 511 O HIS A 41 9.156 -9.391 -27.932 1.00 0.00 O ATOM 512 CB HIS A 41 9.494 -7.633 -25.837 1.00 0.00 C ATOM 513 CG HIS A 41 9.008 -6.798 -24.685 1.00 0.00 C ATOM 514 ND1 HIS A 41 7.706 -6.327 -24.610 1.00 0.00 N ATOM 515 CD2 HIS A 41 9.638 -6.340 -23.554 1.00 0.00 C ATOM 516 CE1 HIS A 41 7.596 -5.622 -23.469 1.00 0.00 C ATOM 517 NE2 HIS A 41 8.744 -5.598 -22.787 1.00 0.00 N ATOM 0 H HIS A 41 11.174 -9.574 -24.861 1.00 0.00 H new ATOM 0 HA HIS A 41 8.204 -9.219 -25.153 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.563 -7.478 -25.987 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.996 -7.328 -26.757 1.00 0.00 H new ATOM 0 HD1 HIS A 41 6.967 -6.486 -25.295 1.00 0.00 H new ATOM 0 HD2 HIS A 41 10.670 -6.527 -23.298 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.689 -5.134 -23.144 1.00 0.00 H new ATOM 525 N GLY A 42 9.651 -11.172 -26.747 1.00 0.00 N ATOM 526 CA GLY A 42 9.791 -12.004 -27.974 1.00 0.00 C ATOM 527 C GLY A 42 11.263 -12.058 -28.387 1.00 0.00 C ATOM 528 O GLY A 42 12.082 -12.664 -27.726 1.00 0.00 O ATOM 0 H GLY A 42 9.816 -11.662 -25.868 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.417 -13.011 -27.788 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.191 -11.585 -28.781 1.00 0.00 H new ATOM 532 N GLU A 43 11.604 -11.432 -29.480 1.00 0.00 N ATOM 533 CA GLU A 43 13.022 -11.452 -29.940 1.00 0.00 C ATOM 534 C GLU A 43 13.810 -10.338 -29.247 1.00 0.00 C ATOM 535 O GLU A 43 15.015 -10.250 -29.372 1.00 0.00 O ATOM 536 CB GLU A 43 13.068 -11.240 -31.454 1.00 0.00 C ATOM 537 CG GLU A 43 14.114 -12.172 -32.068 1.00 0.00 C ATOM 538 CD GLU A 43 13.576 -12.750 -33.379 1.00 0.00 C ATOM 539 OE1 GLU A 43 12.368 -12.760 -33.547 1.00 0.00 O ATOM 540 OE2 GLU A 43 14.381 -13.172 -34.192 1.00 0.00 O ATOM 0 H GLU A 43 10.962 -10.908 -30.075 1.00 0.00 H new ATOM 0 HA GLU A 43 13.467 -12.415 -29.690 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.089 -11.438 -31.890 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.313 -10.202 -31.679 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.040 -11.626 -32.252 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.351 -12.978 -31.373 1.00 0.00 H new ATOM 547 N TRP A 44 13.145 -9.481 -28.519 1.00 0.00 N ATOM 548 CA TRP A 44 13.872 -8.376 -27.830 1.00 0.00 C ATOM 549 C TRP A 44 13.454 -8.315 -26.358 1.00 0.00 C ATOM 550 O TRP A 44 12.306 -8.522 -26.019 1.00 0.00 O ATOM 551 CB TRP A 44 13.537 -7.047 -28.509 1.00 0.00 C ATOM 552 CG TRP A 44 14.648 -6.665 -29.433 1.00 0.00 C ATOM 553 CD1 TRP A 44 15.100 -7.422 -30.460 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.453 -5.451 -29.436 1.00 0.00 C ATOM 555 NE1 TRP A 44 16.131 -6.749 -31.092 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.387 -5.529 -30.497 1.00 0.00 C ATOM 557 CE3 TRP A 44 15.466 -4.299 -28.627 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.298 -4.503 -30.747 1.00 0.00 C ATOM 559 CZ3 TRP A 44 16.382 -3.265 -28.877 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.296 -3.366 -29.935 1.00 0.00 C ATOM 0 H TRP A 44 12.136 -9.498 -28.372 1.00 0.00 H new ATOM 0 HA TRP A 44 14.945 -8.560 -27.891 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.603 -7.135 -29.063 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.390 -6.270 -27.759 1.00 0.00 H new ATOM 0 HD1 TRP A 44 14.718 -8.393 -30.740 1.00 0.00 H new ATOM 0 HE1 TRP A 44 16.640 -7.110 -31.899 1.00 0.00 H new ATOM 0 HE3 TRP A 44 14.767 -4.210 -27.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 18.000 -4.587 -31.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 16.383 -2.386 -28.250 1.00 0.00 H new ATOM 0 HH2 TRP A 44 17.997 -2.566 -30.122 1.00 0.00 H new ATOM 571 N TRP A 45 14.378 -8.025 -25.482 1.00 0.00 N ATOM 572 CA TRP A 45 14.031 -7.944 -24.032 1.00 0.00 C ATOM 573 C TRP A 45 14.764 -6.766 -23.390 1.00 0.00 C ATOM 574 O TRP A 45 15.673 -6.197 -23.962 1.00 0.00 O ATOM 575 CB TRP A 45 14.456 -9.223 -23.311 1.00 0.00 C ATOM 576 CG TRP A 45 14.603 -10.353 -24.274 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.643 -10.791 -25.121 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.762 -11.207 -24.489 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.142 -11.861 -25.843 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.445 -12.154 -25.489 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.046 -11.249 -23.918 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.369 -13.111 -25.907 1.00 0.00 C ATOM 583 CZ3 TRP A 45 17.980 -12.209 -24.337 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.643 -13.139 -25.329 1.00 0.00 C ATOM 0 H TRP A 45 15.356 -7.841 -25.706 1.00 0.00 H new ATOM 0 HA TRP A 45 12.952 -7.813 -23.945 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.400 -9.056 -22.793 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.717 -9.480 -22.552 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.651 -10.374 -25.218 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.613 -12.371 -26.550 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.316 -10.537 -23.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.103 -13.826 -26.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.964 -12.231 -23.892 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.365 -13.876 -25.647 1.00 0.00 H new ATOM 595 N LYS A 46 14.388 -6.416 -22.192 1.00 0.00 N ATOM 596 CA LYS A 46 15.072 -5.298 -21.489 1.00 0.00 C ATOM 597 C LYS A 46 15.867 -5.879 -20.320 1.00 0.00 C ATOM 598 O LYS A 46 15.317 -6.472 -19.413 1.00 0.00 O ATOM 599 CB LYS A 46 14.032 -4.305 -20.970 1.00 0.00 C ATOM 600 CG LYS A 46 14.611 -2.889 -21.002 1.00 0.00 C ATOM 601 CD LYS A 46 13.541 -1.890 -20.558 1.00 0.00 C ATOM 602 CE LYS A 46 14.169 -0.502 -20.412 1.00 0.00 C ATOM 603 NZ LYS A 46 14.122 -0.085 -18.982 1.00 0.00 N ATOM 0 H LYS A 46 13.633 -6.859 -21.668 1.00 0.00 H new ATOM 0 HA LYS A 46 15.743 -4.776 -22.172 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.131 -4.354 -21.582 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.741 -4.567 -19.953 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.479 -2.825 -20.345 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.954 -2.648 -22.008 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.731 -1.860 -21.287 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.105 -2.205 -19.610 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.201 -0.519 -20.764 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.633 0.218 -21.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.548 0.858 -18.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.133 -0.054 -18.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.652 -0.768 -18.404 1.00 0.00 H new ATOM 617 N ALA A 47 17.161 -5.732 -20.346 1.00 0.00 N ATOM 618 CA ALA A 47 17.998 -6.295 -19.249 1.00 0.00 C ATOM 619 C ALA A 47 18.682 -5.171 -18.472 1.00 0.00 C ATOM 620 O ALA A 47 18.412 -4.004 -18.674 1.00 0.00 O ATOM 621 CB ALA A 47 19.064 -7.214 -19.848 1.00 0.00 C ATOM 0 H ALA A 47 17.677 -5.246 -21.080 1.00 0.00 H new ATOM 0 HA ALA A 47 17.358 -6.858 -18.569 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.679 -7.628 -19.049 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.581 -8.026 -20.392 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.693 -6.644 -20.531 1.00 0.00 H new ATOM 627 N LYS A 48 19.572 -5.524 -17.584 1.00 0.00 N ATOM 628 CA LYS A 48 20.288 -4.489 -16.785 1.00 0.00 C ATOM 629 C LYS A 48 21.757 -4.893 -16.642 1.00 0.00 C ATOM 630 O LYS A 48 22.087 -6.062 -16.618 1.00 0.00 O ATOM 631 CB LYS A 48 19.651 -4.380 -15.399 1.00 0.00 C ATOM 632 CG LYS A 48 20.541 -3.526 -14.496 1.00 0.00 C ATOM 633 CD LYS A 48 19.862 -3.342 -13.137 1.00 0.00 C ATOM 634 CE LYS A 48 20.009 -4.625 -12.317 1.00 0.00 C ATOM 635 NZ LYS A 48 18.804 -5.480 -12.512 1.00 0.00 N ATOM 0 H LYS A 48 19.835 -6.488 -17.377 1.00 0.00 H new ATOM 0 HA LYS A 48 20.219 -3.525 -17.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.659 -3.935 -15.477 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.522 -5.372 -14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.512 -4.004 -14.368 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.722 -2.556 -14.958 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.311 -2.504 -12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.807 -3.104 -13.274 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.905 -5.165 -12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.129 -4.383 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.272 -5.539 -11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.199 -5.064 -13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.099 -6.434 -12.804 1.00 0.00 H new ATOM 649 N SER A 49 22.646 -3.939 -16.555 1.00 0.00 N ATOM 650 CA SER A 49 24.090 -4.285 -16.426 1.00 0.00 C ATOM 651 C SER A 49 24.445 -4.451 -14.949 1.00 0.00 C ATOM 652 O SER A 49 24.200 -3.577 -14.142 1.00 0.00 O ATOM 653 CB SER A 49 24.939 -3.164 -17.030 1.00 0.00 C ATOM 654 OG SER A 49 26.030 -3.727 -17.743 1.00 0.00 O ATOM 0 H SER A 49 22.436 -2.941 -16.568 1.00 0.00 H new ATOM 0 HA SER A 49 24.288 -5.217 -16.955 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.331 -2.553 -17.697 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.306 -2.507 -16.242 1.00 0.00 H new ATOM 0 HG SER A 49 26.573 -3.009 -18.131 1.00 0.00 H new ATOM 660 N LEU A 50 25.014 -5.565 -14.581 1.00 0.00 N ATOM 661 CA LEU A 50 25.370 -5.771 -13.149 1.00 0.00 C ATOM 662 C LEU A 50 26.531 -4.844 -12.778 1.00 0.00 C ATOM 663 O LEU A 50 26.843 -4.653 -11.619 1.00 0.00 O ATOM 664 CB LEU A 50 25.784 -7.227 -12.924 1.00 0.00 C ATOM 665 CG LEU A 50 24.612 -8.149 -13.266 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.953 -9.582 -12.853 1.00 0.00 C ATOM 667 CD2 LEU A 50 23.362 -7.686 -12.514 1.00 0.00 C ATOM 0 H LEU A 50 25.247 -6.337 -15.205 1.00 0.00 H new ATOM 0 HA LEU A 50 24.507 -5.544 -12.524 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.646 -7.471 -13.545 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.086 -7.374 -11.887 1.00 0.00 H new ATOM 0 HG LEU A 50 24.424 -8.115 -14.339 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.118 -10.239 -13.096 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.843 -9.913 -13.388 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.141 -9.616 -11.780 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.527 -8.343 -12.757 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.550 -7.720 -11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.118 -6.665 -12.807 1.00 0.00 H new ATOM 679 N LEU A 51 27.176 -4.269 -13.758 1.00 0.00 N ATOM 680 CA LEU A 51 28.320 -3.356 -13.474 1.00 0.00 C ATOM 681 C LEU A 51 27.797 -1.958 -13.143 1.00 0.00 C ATOM 682 O LEU A 51 28.091 -1.404 -12.103 1.00 0.00 O ATOM 683 CB LEU A 51 29.226 -3.280 -14.706 1.00 0.00 C ATOM 684 CG LEU A 51 30.356 -2.284 -14.447 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.296 -2.845 -13.377 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.139 -2.053 -15.742 1.00 0.00 C ATOM 0 H LEU A 51 26.958 -4.393 -14.747 1.00 0.00 H new ATOM 0 HA LEU A 51 28.885 -3.740 -12.624 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.638 -4.264 -14.929 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.648 -2.972 -15.577 1.00 0.00 H new ATOM 0 HG LEU A 51 29.935 -1.339 -14.102 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.102 -2.135 -13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.740 -3.011 -12.454 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.717 -3.790 -13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.945 -1.343 -15.558 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.559 -2.998 -16.086 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.471 -1.654 -16.505 1.00 0.00 H new ATOM 698 N THR A 52 27.022 -1.387 -14.019 1.00 0.00 N ATOM 699 CA THR A 52 26.477 -0.025 -13.757 1.00 0.00 C ATOM 700 C THR A 52 24.977 -0.124 -13.475 1.00 0.00 C ATOM 701 O THR A 52 24.279 0.868 -13.415 1.00 0.00 O ATOM 702 CB THR A 52 26.710 0.865 -14.981 1.00 0.00 C ATOM 703 OG1 THR A 52 25.835 1.984 -14.924 1.00 0.00 O ATOM 704 CG2 THR A 52 26.436 0.066 -16.255 1.00 0.00 C ATOM 0 H THR A 52 26.741 -1.804 -14.907 1.00 0.00 H new ATOM 0 HA THR A 52 26.982 0.409 -12.894 1.00 0.00 H new ATOM 0 HB THR A 52 27.744 1.211 -14.988 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.396 2.011 -14.048 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.602 0.701 -17.125 1.00 0.00 H new ATOM 0 HG22 THR A 52 27.107 -0.792 -16.298 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.403 -0.282 -16.251 1.00 0.00 H new ATOM 712 N LYS A 53 24.479 -1.316 -13.295 1.00 0.00 N ATOM 713 CA LYS A 53 23.027 -1.484 -13.009 1.00 0.00 C ATOM 714 C LYS A 53 22.202 -0.699 -14.029 1.00 0.00 C ATOM 715 O LYS A 53 21.079 -0.316 -13.766 1.00 0.00 O ATOM 716 CB LYS A 53 22.724 -0.966 -11.602 1.00 0.00 C ATOM 717 CG LYS A 53 23.916 -1.250 -10.687 1.00 0.00 C ATOM 718 CD LYS A 53 23.535 -0.927 -9.240 1.00 0.00 C ATOM 719 CE LYS A 53 24.320 0.298 -8.766 1.00 0.00 C ATOM 720 NZ LYS A 53 23.960 1.475 -9.608 1.00 0.00 N ATOM 0 H LYS A 53 25.016 -2.182 -13.334 1.00 0.00 H new ATOM 0 HA LYS A 53 22.767 -2.541 -13.075 1.00 0.00 H new ATOM 0 HB2 LYS A 53 22.522 0.105 -11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.828 -1.448 -11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 53 24.213 -2.295 -10.772 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.773 -0.650 -10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.464 -0.736 -9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 53 23.750 -1.781 -8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 53 24.096 0.504 -7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.391 0.105 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.208 2.351 -9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.482 1.432 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 22.938 1.464 -9.801 1.00 0.00 H new ATOM 734 N LYS A 54 22.740 -0.467 -15.193 1.00 0.00 N ATOM 735 CA LYS A 54 21.969 0.279 -16.223 1.00 0.00 C ATOM 736 C LYS A 54 20.983 -0.685 -16.880 1.00 0.00 C ATOM 737 O LYS A 54 21.291 -1.839 -17.098 1.00 0.00 O ATOM 738 CB LYS A 54 22.925 0.838 -17.278 1.00 0.00 C ATOM 739 CG LYS A 54 23.352 2.253 -16.882 1.00 0.00 C ATOM 740 CD LYS A 54 23.891 2.987 -18.110 1.00 0.00 C ATOM 741 CE LYS A 54 24.582 4.279 -17.670 1.00 0.00 C ATOM 742 NZ LYS A 54 26.059 4.080 -17.683 1.00 0.00 N ATOM 0 H LYS A 54 23.676 -0.760 -15.474 1.00 0.00 H new ATOM 0 HA LYS A 54 21.431 1.107 -15.762 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.800 0.195 -17.368 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.439 0.853 -18.253 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.505 2.796 -16.464 1.00 0.00 H new ATOM 0 HG3 LYS A 54 24.117 2.210 -16.107 1.00 0.00 H new ATOM 0 HD2 LYS A 54 24.594 2.351 -18.647 1.00 0.00 H new ATOM 0 HD3 LYS A 54 23.076 3.214 -18.798 1.00 0.00 H new ATOM 0 HE2 LYS A 54 24.308 5.096 -18.337 1.00 0.00 H new ATOM 0 HE3 LYS A 54 24.251 4.559 -16.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 26.530 4.958 -17.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 26.312 3.311 -17.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 26.367 3.832 -18.645 1.00 0.00 H new ATOM 756 N GLU A 55 19.804 -0.232 -17.199 1.00 0.00 N ATOM 757 CA GLU A 55 18.815 -1.142 -17.839 1.00 0.00 C ATOM 758 C GLU A 55 18.411 -0.576 -19.199 1.00 0.00 C ATOM 759 O GLU A 55 18.298 0.621 -19.378 1.00 0.00 O ATOM 760 CB GLU A 55 17.581 -1.275 -16.946 1.00 0.00 C ATOM 761 CG GLU A 55 17.177 0.106 -16.426 1.00 0.00 C ATOM 762 CD GLU A 55 16.072 -0.046 -15.379 1.00 0.00 C ATOM 763 OE1 GLU A 55 16.373 -0.504 -14.289 1.00 0.00 O ATOM 764 OE2 GLU A 55 14.942 0.299 -15.684 1.00 0.00 O ATOM 0 H GLU A 55 19.483 0.724 -17.045 1.00 0.00 H new ATOM 0 HA GLU A 55 19.263 -2.126 -17.975 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.759 -1.719 -17.507 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.794 -1.942 -16.111 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.040 0.608 -15.989 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.829 0.729 -17.250 1.00 0.00 H new ATOM 771 N GLY A 56 18.200 -1.429 -20.161 1.00 0.00 N ATOM 772 CA GLY A 56 17.812 -0.945 -21.513 1.00 0.00 C ATOM 773 C GLY A 56 17.285 -2.113 -22.338 1.00 0.00 C ATOM 774 O GLY A 56 16.975 -3.166 -21.819 1.00 0.00 O ATOM 0 H GLY A 56 18.280 -2.442 -20.069 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.049 -0.171 -21.429 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.671 -0.493 -22.010 1.00 0.00 H new ATOM 778 N PHE A 57 17.189 -1.937 -23.622 1.00 0.00 N ATOM 779 CA PHE A 57 16.684 -3.041 -24.482 1.00 0.00 C ATOM 780 C PHE A 57 17.867 -3.805 -25.077 1.00 0.00 C ATOM 781 O PHE A 57 18.809 -3.226 -25.582 1.00 0.00 O ATOM 782 CB PHE A 57 15.816 -2.469 -25.605 1.00 0.00 C ATOM 783 CG PHE A 57 14.359 -2.607 -25.236 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.820 -3.872 -24.970 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.546 -1.470 -25.156 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.468 -3.999 -24.627 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.195 -1.596 -24.812 1.00 0.00 C ATOM 788 CZ PHE A 57 11.656 -2.861 -24.547 1.00 0.00 C ATOM 0 H PHE A 57 17.437 -1.079 -24.114 1.00 0.00 H new ATOM 0 HA PHE A 57 16.081 -3.721 -23.880 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.062 -1.420 -25.771 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.017 -2.995 -26.538 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.447 -4.749 -25.029 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.962 -0.494 -25.360 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.052 -4.975 -24.424 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.569 -0.718 -24.751 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.614 -2.959 -24.281 1.00 0.00 H new ATOM 798 N ILE A 58 17.817 -5.106 -25.023 1.00 0.00 N ATOM 799 CA ILE A 58 18.928 -5.929 -25.584 1.00 0.00 C ATOM 800 C ILE A 58 18.346 -6.926 -26.585 1.00 0.00 C ATOM 801 O ILE A 58 17.289 -7.483 -26.364 1.00 0.00 O ATOM 802 CB ILE A 58 19.620 -6.692 -24.451 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.581 -7.495 -23.664 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.312 -5.700 -23.514 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.290 -8.565 -22.830 1.00 0.00 C ATOM 0 H ILE A 58 17.051 -5.639 -24.612 1.00 0.00 H new ATOM 0 HA ILE A 58 19.653 -5.284 -26.080 1.00 0.00 H new ATOM 0 HB ILE A 58 20.361 -7.371 -24.873 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.009 -6.832 -23.015 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.872 -7.962 -24.348 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.804 -6.244 -22.708 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.054 -5.129 -24.072 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.572 -5.020 -23.093 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.551 -9.138 -22.269 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.843 -9.234 -23.490 1.00 0.00 H new ATOM 0 HD13 ILE A 58 19.981 -8.087 -22.136 1.00 0.00 H new ATOM 817 N PRO A 59 19.039 -7.157 -27.711 1.00 0.00 N ATOM 818 CA PRO A 59 18.559 -8.089 -28.730 1.00 0.00 C ATOM 819 C PRO A 59 18.800 -9.539 -28.303 1.00 0.00 C ATOM 820 O PRO A 59 19.600 -9.806 -27.429 1.00 0.00 O ATOM 821 CB PRO A 59 19.401 -7.747 -29.955 1.00 0.00 C ATOM 822 CG PRO A 59 20.658 -7.147 -29.410 1.00 0.00 C ATOM 823 CD PRO A 59 20.323 -6.535 -28.073 1.00 0.00 C ATOM 0 HA PRO A 59 17.487 -8.001 -28.908 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.614 -8.637 -30.548 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.881 -7.046 -30.608 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.431 -7.908 -29.301 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.049 -6.391 -30.091 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.093 -6.748 -27.332 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.237 -5.451 -28.140 1.00 0.00 H new ATOM 831 N SER A 60 18.120 -10.482 -28.893 1.00 0.00 N ATOM 832 CA SER A 60 18.336 -11.897 -28.484 1.00 0.00 C ATOM 833 C SER A 60 19.433 -12.526 -29.346 1.00 0.00 C ATOM 834 O SER A 60 19.441 -13.717 -29.583 1.00 0.00 O ATOM 835 CB SER A 60 17.037 -12.681 -28.646 1.00 0.00 C ATOM 836 OG SER A 60 17.239 -14.023 -28.229 1.00 0.00 O ATOM 0 H SER A 60 17.432 -10.337 -29.632 1.00 0.00 H new ATOM 0 HA SER A 60 18.645 -11.925 -27.439 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.246 -12.220 -28.055 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.713 -12.657 -29.686 1.00 0.00 H new ATOM 0 HG SER A 60 17.531 -14.034 -27.293 1.00 0.00 H new ATOM 842 N ASN A 61 20.363 -11.737 -29.812 1.00 0.00 N ATOM 843 CA ASN A 61 21.459 -12.300 -30.651 1.00 0.00 C ATOM 844 C ASN A 61 22.785 -11.626 -30.292 1.00 0.00 C ATOM 845 O ASN A 61 23.816 -11.930 -30.858 1.00 0.00 O ATOM 846 CB ASN A 61 21.146 -12.057 -32.126 1.00 0.00 C ATOM 847 CG ASN A 61 22.274 -12.628 -32.988 1.00 0.00 C ATOM 848 OD1 ASN A 61 23.290 -11.992 -33.178 1.00 0.00 O ATOM 849 ND2 ASN A 61 22.136 -13.811 -33.521 1.00 0.00 N ATOM 0 H ASN A 61 20.411 -10.731 -29.649 1.00 0.00 H new ATOM 0 HA ASN A 61 21.540 -13.371 -30.467 1.00 0.00 H new ATOM 0 HB2 ASN A 61 20.199 -12.527 -32.390 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.035 -10.989 -32.314 1.00 0.00 H new ATOM 0 HD21 ASN A 61 22.882 -14.201 -34.097 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.282 -14.346 -33.361 1.00 0.00 H new ATOM 856 N TYR A 62 22.772 -10.709 -29.362 1.00 0.00 N ATOM 857 CA TYR A 62 24.040 -10.021 -28.983 1.00 0.00 C ATOM 858 C TYR A 62 24.581 -10.597 -27.672 1.00 0.00 C ATOM 859 O TYR A 62 25.769 -10.560 -27.417 1.00 0.00 O ATOM 860 CB TYR A 62 23.782 -8.523 -28.807 1.00 0.00 C ATOM 861 CG TYR A 62 23.762 -7.853 -30.161 1.00 0.00 C ATOM 862 CD1 TYR A 62 22.818 -8.236 -31.120 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.692 -6.847 -30.456 1.00 0.00 C ATOM 864 CE1 TYR A 62 22.802 -7.615 -32.375 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.676 -6.226 -31.711 1.00 0.00 C ATOM 866 CZ TYR A 62 23.730 -6.609 -32.670 1.00 0.00 C ATOM 867 OH TYR A 62 23.715 -5.998 -33.906 1.00 0.00 O ATOM 0 H TYR A 62 21.943 -10.408 -28.851 1.00 0.00 H new ATOM 0 HA TYR A 62 24.774 -10.177 -29.774 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.832 -8.364 -28.297 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.558 -8.081 -28.182 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.101 -9.011 -30.892 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.421 -6.551 -29.716 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.074 -7.912 -33.115 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.393 -5.452 -31.939 1.00 0.00 H new ATOM 0 HH TYR A 62 24.424 -5.322 -33.945 1.00 0.00 H new ATOM 877 N VAL A 63 23.731 -11.122 -26.831 1.00 0.00 N ATOM 878 CA VAL A 63 24.231 -11.686 -25.543 1.00 0.00 C ATOM 879 C VAL A 63 24.022 -13.202 -25.517 1.00 0.00 C ATOM 880 O VAL A 63 23.263 -13.749 -26.291 1.00 0.00 O ATOM 881 CB VAL A 63 23.485 -11.045 -24.373 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.489 -9.525 -24.537 1.00 0.00 C ATOM 883 CG2 VAL A 63 22.041 -11.554 -24.351 1.00 0.00 C ATOM 0 H VAL A 63 22.723 -11.185 -26.977 1.00 0.00 H new ATOM 0 HA VAL A 63 25.296 -11.472 -25.454 1.00 0.00 H new ATOM 0 HB VAL A 63 23.978 -11.309 -23.437 1.00 0.00 H new ATOM 0 HG11 VAL A 63 22.957 -9.068 -23.703 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.517 -9.164 -24.554 1.00 0.00 H new ATOM 0 HG13 VAL A 63 22.996 -9.259 -25.472 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.507 -11.098 -23.517 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.548 -11.289 -25.286 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.039 -12.638 -24.234 1.00 0.00 H new