USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=12 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 -12:sc= 0.999 USER MOD Single : A 23 HIS : no HD1:sc= -1.25 X(o=-1.2,f=-1.2) USER MOD Single : A 28 SER OG : rot -168:sc= 0.0106! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -1.26 (180deg=-2.25!) USER MOD Single : A 34 LYS NZ :NH3+ -121:sc= -0.254 (180deg=-0.84) USER MOD Single : A 35 MET CE :methyl 140:sc= -8.35! (180deg=-12.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc=-0.00444 K(o=-0.0044,f=-5.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0.306 (180deg=0.306) 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 147:sc= -2.03! USER MOD Single : A 53 LYS NZ :NH3+ 162:sc=-0.00678 (180deg=-0.383) USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0119 (180deg=-0.191) USER MOD Single : A 60 SER OG : rot 62:sc= -0.788! USER MOD Single : A 61 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.5!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 15.829 -13.883 -16.867 1.00 0.00 N ATOM 26 CA ASP A 11 16.928 -14.870 -17.059 1.00 0.00 C ATOM 27 C ASP A 11 18.274 -14.146 -17.021 1.00 0.00 C ATOM 28 O ASP A 11 18.344 -12.940 -17.147 1.00 0.00 O ATOM 29 CB ASP A 11 16.760 -15.562 -18.414 1.00 0.00 C ATOM 30 CG ASP A 11 17.084 -17.050 -18.271 1.00 0.00 C ATOM 31 OD1 ASP A 11 18.139 -17.359 -17.740 1.00 0.00 O ATOM 32 OD2 ASP A 11 16.274 -17.856 -18.696 1.00 0.00 O ATOM 0 HA ASP A 11 16.892 -15.614 -16.263 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.740 -15.434 -18.775 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.419 -15.105 -19.152 1.00 0.00 H new ATOM 37 N ILE A 12 19.346 -14.872 -16.851 1.00 0.00 N ATOM 38 CA ILE A 12 20.684 -14.220 -16.810 1.00 0.00 C ATOM 39 C ILE A 12 21.418 -14.494 -18.124 1.00 0.00 C ATOM 40 O ILE A 12 21.497 -15.617 -18.580 1.00 0.00 O ATOM 41 CB ILE A 12 21.495 -14.782 -15.641 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.896 -14.293 -14.321 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.945 -14.306 -15.751 1.00 0.00 C ATOM 44 CD1 ILE A 12 20.819 -12.766 -14.331 1.00 0.00 C ATOM 0 H ILE A 12 19.352 -15.886 -16.739 1.00 0.00 H new ATOM 0 HA ILE A 12 20.562 -13.145 -16.676 1.00 0.00 H new ATOM 0 HB ILE A 12 21.467 -15.871 -15.670 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.902 -14.717 -14.181 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.507 -14.632 -13.484 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.523 -14.706 -14.918 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.372 -14.656 -16.691 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.974 -13.217 -15.722 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.392 -12.417 -13.391 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.820 -12.352 -14.451 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.190 -12.439 -15.159 1.00 0.00 H new ATOM 56 N VAL A 13 21.946 -13.473 -18.740 1.00 0.00 N ATOM 57 CA VAL A 13 22.664 -13.664 -20.028 1.00 0.00 C ATOM 58 C VAL A 13 24.012 -12.953 -19.959 1.00 0.00 C ATOM 59 O VAL A 13 24.191 -12.028 -19.194 1.00 0.00 O ATOM 60 CB VAL A 13 21.833 -13.055 -21.160 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.768 -14.057 -21.609 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.152 -11.777 -20.661 1.00 0.00 C ATOM 0 H VAL A 13 21.910 -12.511 -18.404 1.00 0.00 H new ATOM 0 HA VAL A 13 22.816 -14.727 -20.212 1.00 0.00 H new ATOM 0 HB VAL A 13 22.484 -12.817 -22.001 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.177 -13.623 -22.415 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.251 -14.967 -21.963 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.116 -14.296 -20.769 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.560 -11.342 -21.466 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.501 -12.016 -19.820 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.910 -11.062 -20.341 1.00 0.00 H new ATOM 72 N VAL A 14 24.959 -13.361 -20.754 1.00 0.00 N ATOM 73 CA VAL A 14 26.277 -12.679 -20.717 1.00 0.00 C ATOM 74 C VAL A 14 26.507 -11.977 -22.054 1.00 0.00 C ATOM 75 O VAL A 14 26.256 -12.528 -23.111 1.00 0.00 O ATOM 76 CB VAL A 14 27.390 -13.697 -20.462 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.328 -14.799 -21.520 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.749 -12.998 -20.532 1.00 0.00 C ATOM 0 H VAL A 14 24.878 -14.129 -21.421 1.00 0.00 H new ATOM 0 HA VAL A 14 26.288 -11.947 -19.910 1.00 0.00 H new ATOM 0 HB VAL A 14 27.259 -14.136 -19.473 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.121 -15.524 -21.337 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.361 -15.299 -21.468 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.457 -14.361 -22.510 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.541 -13.724 -20.350 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.881 -12.557 -21.520 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.794 -12.214 -19.776 1.00 0.00 H new ATOM 88 N ALA A 15 26.965 -10.758 -22.013 1.00 0.00 N ATOM 89 CA ALA A 15 27.201 -10.004 -23.272 1.00 0.00 C ATOM 90 C ALA A 15 28.169 -10.775 -24.166 1.00 0.00 C ATOM 91 O ALA A 15 29.320 -10.973 -23.830 1.00 0.00 O ATOM 92 CB ALA A 15 27.795 -8.634 -22.940 1.00 0.00 C ATOM 0 H ALA A 15 27.187 -10.250 -21.157 1.00 0.00 H new ATOM 0 HA ALA A 15 26.254 -9.876 -23.797 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.969 -8.080 -23.862 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.101 -8.080 -22.309 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.740 -8.765 -22.412 1.00 0.00 H new ATOM 98 N LEU A 16 27.717 -11.189 -25.315 1.00 0.00 N ATOM 99 CA LEU A 16 28.615 -11.921 -26.247 1.00 0.00 C ATOM 100 C LEU A 16 29.306 -10.892 -27.137 1.00 0.00 C ATOM 101 O LEU A 16 30.402 -11.096 -27.618 1.00 0.00 O ATOM 102 CB LEU A 16 27.795 -12.885 -27.108 1.00 0.00 C ATOM 103 CG LEU A 16 26.886 -13.726 -26.210 1.00 0.00 C ATOM 104 CD1 LEU A 16 25.852 -14.453 -27.072 1.00 0.00 C ATOM 105 CD2 LEU A 16 27.728 -14.752 -25.450 1.00 0.00 C ATOM 0 H LEU A 16 26.763 -11.052 -25.649 1.00 0.00 H new ATOM 0 HA LEU A 16 29.353 -12.498 -25.689 1.00 0.00 H new ATOM 0 HB2 LEU A 16 27.197 -12.327 -27.828 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.459 -13.533 -27.680 1.00 0.00 H new ATOM 0 HG LEU A 16 26.376 -13.077 -25.499 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.203 -15.053 -26.434 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.252 -13.722 -27.615 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.363 -15.103 -27.783 1.00 0.00 H new ATOM 0 HD21 LEU A 16 27.081 -15.351 -24.810 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.238 -15.402 -26.161 1.00 0.00 H new ATOM 0 HD23 LEU A 16 28.466 -14.235 -24.837 1.00 0.00 H new ATOM 117 N TYR A 17 28.659 -9.779 -27.350 1.00 0.00 N ATOM 118 CA TYR A 17 29.248 -8.711 -28.197 1.00 0.00 C ATOM 119 C TYR A 17 28.998 -7.354 -27.535 1.00 0.00 C ATOM 120 O TYR A 17 27.945 -7.114 -26.980 1.00 0.00 O ATOM 121 CB TYR A 17 28.576 -8.731 -29.573 1.00 0.00 C ATOM 122 CG TYR A 17 29.223 -9.790 -30.433 1.00 0.00 C ATOM 123 CD1 TYR A 17 28.913 -11.141 -30.232 1.00 0.00 C ATOM 124 CD2 TYR A 17 30.131 -9.422 -31.433 1.00 0.00 C ATOM 125 CE1 TYR A 17 29.513 -12.122 -31.030 1.00 0.00 C ATOM 126 CE2 TYR A 17 30.730 -10.403 -32.231 1.00 0.00 C ATOM 127 CZ TYR A 17 30.421 -11.754 -32.030 1.00 0.00 C ATOM 128 OH TYR A 17 31.012 -12.721 -32.816 1.00 0.00 O ATOM 0 H TYR A 17 27.738 -9.565 -26.968 1.00 0.00 H new ATOM 0 HA TYR A 17 30.319 -8.877 -28.309 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.511 -8.935 -29.466 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.668 -7.755 -30.049 1.00 0.00 H new ATOM 0 HD1 TYR A 17 28.211 -11.426 -29.462 1.00 0.00 H new ATOM 0 HD2 TYR A 17 30.369 -8.380 -31.589 1.00 0.00 H new ATOM 0 HE1 TYR A 17 29.275 -13.164 -30.874 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.431 -10.118 -33.002 1.00 0.00 H new ATOM 0 HH TYR A 17 31.615 -12.295 -33.461 1.00 0.00 H new ATOM 138 N PRO A 18 29.978 -6.444 -27.607 1.00 0.00 N ATOM 139 CA PRO A 18 29.858 -5.099 -27.026 1.00 0.00 C ATOM 140 C PRO A 18 28.717 -4.306 -27.672 1.00 0.00 C ATOM 141 O PRO A 18 28.479 -4.396 -28.861 1.00 0.00 O ATOM 142 CB PRO A 18 31.214 -4.458 -27.339 1.00 0.00 C ATOM 143 CG PRO A 18 31.711 -5.226 -28.516 1.00 0.00 C ATOM 144 CD PRO A 18 31.279 -6.640 -28.260 1.00 0.00 C ATOM 0 HA PRO A 18 29.626 -5.121 -25.961 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.111 -3.397 -27.569 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.897 -4.536 -26.493 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.287 -4.845 -29.445 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.795 -5.154 -28.607 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.191 -7.214 -29.183 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.982 -7.172 -27.619 1.00 0.00 H new ATOM 152 N TYR A 19 27.997 -3.544 -26.893 1.00 0.00 N ATOM 153 CA TYR A 19 26.858 -2.762 -27.452 1.00 0.00 C ATOM 154 C TYR A 19 26.889 -1.330 -26.918 1.00 0.00 C ATOM 155 O TYR A 19 26.906 -1.110 -25.724 1.00 0.00 O ATOM 156 CB TYR A 19 25.545 -3.414 -27.014 1.00 0.00 C ATOM 157 CG TYR A 19 24.397 -2.807 -27.789 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.764 -1.648 -27.315 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.964 -3.403 -28.979 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.701 -1.088 -28.034 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.901 -2.841 -29.698 1.00 0.00 C ATOM 162 CZ TYR A 19 22.269 -1.684 -29.225 1.00 0.00 C ATOM 163 OH TYR A 19 21.222 -1.132 -29.934 1.00 0.00 O ATOM 0 H TYR A 19 28.150 -3.430 -25.891 1.00 0.00 H new ATOM 0 HA TYR A 19 26.937 -2.747 -28.539 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.586 -4.490 -27.186 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.393 -3.268 -25.945 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.096 -1.188 -26.396 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.449 -4.296 -29.343 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.214 -0.196 -27.670 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.569 -3.300 -30.617 1.00 0.00 H new ATOM 0 HH TYR A 19 20.772 -0.459 -29.382 1.00 0.00 H new ATOM 173 N ASP A 20 26.871 -0.353 -27.782 1.00 0.00 N ATOM 174 CA ASP A 20 26.872 1.052 -27.289 1.00 0.00 C ATOM 175 C ASP A 20 25.447 1.598 -27.393 1.00 0.00 C ATOM 176 O ASP A 20 24.940 1.844 -28.468 1.00 0.00 O ATOM 177 CB ASP A 20 27.830 1.906 -28.122 1.00 0.00 C ATOM 178 CG ASP A 20 28.071 3.241 -27.414 1.00 0.00 C ATOM 179 OD1 ASP A 20 27.210 4.100 -27.505 1.00 0.00 O ATOM 180 OD2 ASP A 20 29.112 3.380 -26.793 1.00 0.00 O ATOM 0 H ASP A 20 26.856 -0.464 -28.796 1.00 0.00 H new ATOM 0 HA ASP A 20 27.208 1.083 -26.253 1.00 0.00 H new ATOM 0 HB2 ASP A 20 28.775 1.381 -28.262 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.412 2.078 -29.114 1.00 0.00 H new ATOM 185 N GLY A 21 24.798 1.760 -26.270 1.00 0.00 N ATOM 186 CA GLY A 21 23.393 2.260 -26.258 1.00 0.00 C ATOM 187 C GLY A 21 23.135 3.205 -27.428 1.00 0.00 C ATOM 188 O GLY A 21 23.295 4.405 -27.321 1.00 0.00 O ATOM 0 H GLY A 21 25.188 1.564 -25.348 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.704 1.417 -26.309 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.196 2.777 -25.319 1.00 0.00 H new ATOM 192 N ILE A 22 22.701 2.676 -28.536 1.00 0.00 N ATOM 193 CA ILE A 22 22.392 3.540 -29.703 1.00 0.00 C ATOM 194 C ILE A 22 21.020 4.165 -29.473 1.00 0.00 C ATOM 195 O ILE A 22 20.871 5.370 -29.415 1.00 0.00 O ATOM 196 CB ILE A 22 22.360 2.691 -30.976 1.00 0.00 C ATOM 197 CG1 ILE A 22 23.788 2.293 -31.360 1.00 0.00 C ATOM 198 CG2 ILE A 22 21.733 3.499 -32.113 1.00 0.00 C ATOM 199 CD1 ILE A 22 23.782 0.883 -31.952 1.00 0.00 C ATOM 0 H ILE A 22 22.547 1.678 -28.683 1.00 0.00 H new ATOM 0 HA ILE A 22 23.151 4.314 -29.815 1.00 0.00 H new ATOM 0 HB ILE A 22 21.767 1.793 -30.799 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.192 3.001 -32.083 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.435 2.328 -30.484 1.00 0.00 H new ATOM 0 HG21 ILE A 22 21.710 2.894 -33.020 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.716 3.783 -31.840 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.325 4.397 -32.291 1.00 0.00 H new ATOM 0 HD11 ILE A 22 24.798 0.599 -32.226 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.395 0.180 -31.214 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.149 0.863 -32.839 1.00 0.00 H new ATOM 211 N HIS A 23 20.018 3.347 -29.338 1.00 0.00 N ATOM 212 CA HIS A 23 18.644 3.871 -29.108 1.00 0.00 C ATOM 213 C HIS A 23 18.590 4.578 -27.752 1.00 0.00 C ATOM 214 O HIS A 23 19.537 4.558 -26.993 1.00 0.00 O ATOM 215 CB HIS A 23 17.646 2.712 -29.121 1.00 0.00 C ATOM 216 CG HIS A 23 16.844 2.753 -30.392 1.00 0.00 C ATOM 217 ND1 HIS A 23 17.431 2.974 -31.629 1.00 0.00 N ATOM 218 CD2 HIS A 23 15.502 2.604 -30.635 1.00 0.00 C ATOM 219 CE1 HIS A 23 16.452 2.951 -32.551 1.00 0.00 C ATOM 220 NE2 HIS A 23 15.256 2.729 -31.999 1.00 0.00 N ATOM 0 H HIS A 23 20.091 2.330 -29.377 1.00 0.00 H new ATOM 0 HA HIS A 23 18.387 4.578 -29.897 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.175 1.762 -29.043 1.00 0.00 H new ATOM 0 HB3 HIS A 23 16.983 2.779 -28.258 1.00 0.00 H new ATOM 0 HD2 HIS A 23 14.751 2.418 -29.882 1.00 0.00 H new ATOM 0 HE1 HIS A 23 16.613 3.095 -33.609 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.356 2.665 -32.475 1.00 0.00 H new ATOM 228 N PRO A 24 17.452 5.219 -27.452 1.00 0.00 N ATOM 229 CA PRO A 24 17.259 5.943 -26.189 1.00 0.00 C ATOM 230 C PRO A 24 17.117 4.997 -24.993 1.00 0.00 C ATOM 231 O PRO A 24 17.405 5.356 -23.869 1.00 0.00 O ATOM 232 CB PRO A 24 15.944 6.693 -26.409 1.00 0.00 C ATOM 233 CG PRO A 24 15.217 5.891 -27.434 1.00 0.00 C ATOM 234 CD PRO A 24 16.266 5.287 -28.323 1.00 0.00 C ATOM 0 HA PRO A 24 18.109 6.585 -25.958 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.371 6.767 -25.485 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.122 7.711 -26.756 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.613 5.115 -26.963 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.537 6.520 -28.008 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.971 4.300 -28.679 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.449 5.902 -29.204 1.00 0.00 H new ATOM 242 N ASP A 25 16.656 3.799 -25.224 1.00 0.00 N ATOM 243 CA ASP A 25 16.472 2.840 -24.096 1.00 0.00 C ATOM 244 C ASP A 25 17.446 1.664 -24.226 1.00 0.00 C ATOM 245 O ASP A 25 17.576 0.858 -23.326 1.00 0.00 O ATOM 246 CB ASP A 25 15.039 2.305 -24.125 1.00 0.00 C ATOM 247 CG ASP A 25 14.453 2.341 -22.713 1.00 0.00 C ATOM 248 OD1 ASP A 25 15.115 1.863 -21.806 1.00 0.00 O ATOM 249 OD2 ASP A 25 13.353 2.846 -22.562 1.00 0.00 O ATOM 0 H ASP A 25 16.399 3.442 -26.144 1.00 0.00 H new ATOM 0 HA ASP A 25 16.666 3.358 -23.157 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.429 2.906 -24.799 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.028 1.285 -24.509 1.00 0.00 H new ATOM 254 N ASP A 26 18.123 1.545 -25.336 1.00 0.00 N ATOM 255 CA ASP A 26 19.070 0.409 -25.504 1.00 0.00 C ATOM 256 C ASP A 26 20.142 0.464 -24.416 1.00 0.00 C ATOM 257 O ASP A 26 20.863 1.436 -24.297 1.00 0.00 O ATOM 258 CB ASP A 26 19.740 0.505 -26.875 1.00 0.00 C ATOM 259 CG ASP A 26 18.852 -0.166 -27.925 1.00 0.00 C ATOM 260 OD1 ASP A 26 17.831 -0.716 -27.545 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.207 -0.118 -29.092 1.00 0.00 O ATOM 0 H ASP A 26 18.061 2.183 -26.130 1.00 0.00 H new ATOM 0 HA ASP A 26 18.522 -0.530 -25.426 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.906 1.550 -27.138 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.717 0.023 -26.848 1.00 0.00 H new ATOM 266 N LEU A 27 20.269 -0.567 -23.626 1.00 0.00 N ATOM 267 CA LEU A 27 21.310 -0.562 -22.561 1.00 0.00 C ATOM 268 C LEU A 27 22.640 -0.996 -23.183 1.00 0.00 C ATOM 269 O LEU A 27 22.697 -1.930 -23.957 1.00 0.00 O ATOM 270 CB LEU A 27 20.889 -1.527 -21.444 1.00 0.00 C ATOM 271 CG LEU A 27 22.104 -1.976 -20.623 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.871 -3.056 -21.388 1.00 0.00 C ATOM 273 CD2 LEU A 27 23.019 -0.779 -20.356 1.00 0.00 C ATOM 0 H LEU A 27 19.698 -1.411 -23.672 1.00 0.00 H new ATOM 0 HA LEU A 27 21.424 0.434 -22.133 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.164 -1.041 -20.792 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.395 -2.397 -21.876 1.00 0.00 H new ATOM 0 HG LEU A 27 21.764 -2.384 -19.671 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.734 -3.373 -20.802 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.218 -3.911 -21.564 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.209 -2.655 -22.344 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.881 -1.103 -19.772 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.359 -0.362 -21.304 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.470 -0.018 -19.801 1.00 0.00 H new ATOM 285 N SER A 28 23.709 -0.318 -22.864 1.00 0.00 N ATOM 286 CA SER A 28 25.029 -0.683 -23.452 1.00 0.00 C ATOM 287 C SER A 28 25.689 -1.794 -22.631 1.00 0.00 C ATOM 288 O SER A 28 25.714 -1.757 -21.418 1.00 0.00 O ATOM 289 CB SER A 28 25.937 0.548 -23.449 1.00 0.00 C ATOM 290 OG SER A 28 25.192 1.687 -23.856 1.00 0.00 O ATOM 0 H SER A 28 23.725 0.474 -22.221 1.00 0.00 H new ATOM 0 HA SER A 28 24.877 -1.037 -24.472 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.349 0.707 -22.452 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.781 0.393 -24.122 1.00 0.00 H new ATOM 0 HG SER A 28 25.804 2.430 -24.038 1.00 0.00 H new ATOM 296 N PHE A 29 26.249 -2.770 -23.291 1.00 0.00 N ATOM 297 CA PHE A 29 26.935 -3.870 -22.559 1.00 0.00 C ATOM 298 C PHE A 29 28.215 -4.234 -23.309 1.00 0.00 C ATOM 299 O PHE A 29 28.290 -4.115 -24.516 1.00 0.00 O ATOM 300 CB PHE A 29 26.019 -5.096 -22.460 1.00 0.00 C ATOM 301 CG PHE A 29 25.358 -5.377 -23.789 1.00 0.00 C ATOM 302 CD1 PHE A 29 25.981 -6.220 -24.716 1.00 0.00 C ATOM 303 CD2 PHE A 29 24.112 -4.812 -24.085 1.00 0.00 C ATOM 304 CE1 PHE A 29 25.361 -6.496 -25.940 1.00 0.00 C ATOM 305 CE2 PHE A 29 23.489 -5.091 -25.308 1.00 0.00 C ATOM 306 CZ PHE A 29 24.114 -5.933 -26.236 1.00 0.00 C ATOM 0 H PHE A 29 26.261 -2.853 -24.308 1.00 0.00 H new ATOM 0 HA PHE A 29 27.177 -3.541 -21.548 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.598 -5.964 -22.145 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.258 -4.927 -21.698 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.941 -6.658 -24.487 1.00 0.00 H new ATOM 0 HD2 PHE A 29 23.631 -4.161 -23.370 1.00 0.00 H new ATOM 0 HE1 PHE A 29 25.845 -7.143 -26.656 1.00 0.00 H new ATOM 0 HE2 PHE A 29 22.527 -4.657 -25.535 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.634 -6.148 -27.179 1.00 0.00 H new ATOM 316 N LYS A 30 29.230 -4.665 -22.613 1.00 0.00 N ATOM 317 CA LYS A 30 30.501 -5.016 -23.305 1.00 0.00 C ATOM 318 C LYS A 30 30.686 -6.530 -23.296 1.00 0.00 C ATOM 319 O LYS A 30 30.390 -7.190 -22.319 1.00 0.00 O ATOM 320 CB LYS A 30 31.674 -4.360 -22.571 1.00 0.00 C ATOM 321 CG LYS A 30 32.238 -3.223 -23.426 1.00 0.00 C ATOM 322 CD LYS A 30 32.374 -1.962 -22.571 1.00 0.00 C ATOM 323 CE LYS A 30 32.030 -0.733 -23.413 1.00 0.00 C ATOM 324 NZ LYS A 30 33.132 0.266 -23.308 1.00 0.00 N ATOM 0 H LYS A 30 29.235 -4.789 -21.601 1.00 0.00 H new ATOM 0 HA LYS A 30 30.464 -4.660 -24.335 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.344 -3.975 -21.606 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.450 -5.098 -22.371 1.00 0.00 H new ATOM 0 HG2 LYS A 30 33.209 -3.506 -23.832 1.00 0.00 H new ATOM 0 HG3 LYS A 30 31.581 -3.031 -24.274 1.00 0.00 H new ATOM 0 HD2 LYS A 30 31.710 -2.022 -21.708 1.00 0.00 H new ATOM 0 HD3 LYS A 30 33.390 -1.879 -22.186 1.00 0.00 H new ATOM 0 HE2 LYS A 30 31.884 -1.021 -24.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 31.093 -0.294 -23.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 32.898 1.102 -23.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 33.250 0.549 -22.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 34.017 -0.155 -23.656 1.00 0.00 H new ATOM 338 N LYS A 31 31.181 -7.094 -24.365 1.00 0.00 N ATOM 339 CA LYS A 31 31.385 -8.567 -24.382 1.00 0.00 C ATOM 340 C LYS A 31 32.000 -8.979 -23.045 1.00 0.00 C ATOM 341 O LYS A 31 32.678 -8.204 -22.398 1.00 0.00 O ATOM 342 CB LYS A 31 32.325 -8.960 -25.519 1.00 0.00 C ATOM 343 CG LYS A 31 33.654 -8.220 -25.365 1.00 0.00 C ATOM 344 CD LYS A 31 34.665 -9.130 -24.665 1.00 0.00 C ATOM 345 CE LYS A 31 35.639 -9.700 -25.699 1.00 0.00 C ATOM 346 NZ LYS A 31 34.928 -9.906 -26.992 1.00 0.00 N ATOM 0 H LYS A 31 31.450 -6.603 -25.218 1.00 0.00 H new ATOM 0 HA LYS A 31 30.430 -9.069 -24.535 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.494 -10.037 -25.509 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.871 -8.717 -26.480 1.00 0.00 H new ATOM 0 HG2 LYS A 31 34.032 -7.922 -26.343 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.509 -7.307 -24.788 1.00 0.00 H new ATOM 0 HD2 LYS A 31 35.211 -8.569 -23.906 1.00 0.00 H new ATOM 0 HD3 LYS A 31 34.147 -9.940 -24.152 1.00 0.00 H new ATOM 0 HE2 LYS A 31 36.478 -9.018 -25.838 1.00 0.00 H new ATOM 0 HE3 LYS A 31 36.051 -10.645 -25.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 35.467 -10.571 -27.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 33.981 -10.295 -26.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 34.839 -8.996 -27.488 1.00 0.00 H new ATOM 360 N GLY A 32 31.764 -10.186 -22.617 1.00 0.00 N ATOM 361 CA GLY A 32 32.332 -10.636 -21.314 1.00 0.00 C ATOM 362 C GLY A 32 31.493 -10.068 -20.157 1.00 0.00 C ATOM 363 O GLY A 32 31.571 -10.535 -19.039 1.00 0.00 O ATOM 0 H GLY A 32 31.204 -10.881 -23.111 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.342 -11.725 -21.268 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.366 -10.303 -21.223 1.00 0.00 H new ATOM 367 N GLU A 33 30.694 -9.064 -20.415 1.00 0.00 N ATOM 368 CA GLU A 33 29.857 -8.474 -19.329 1.00 0.00 C ATOM 369 C GLU A 33 28.588 -9.310 -19.141 1.00 0.00 C ATOM 370 O GLU A 33 28.117 -9.959 -20.053 1.00 0.00 O ATOM 371 CB GLU A 33 29.479 -7.035 -19.691 1.00 0.00 C ATOM 372 CG GLU A 33 29.383 -6.198 -18.416 1.00 0.00 C ATOM 373 CD GLU A 33 30.790 -5.877 -17.909 1.00 0.00 C ATOM 374 OE1 GLU A 33 31.615 -5.485 -18.718 1.00 0.00 O ATOM 375 OE2 GLU A 33 31.020 -6.028 -16.720 1.00 0.00 O ATOM 0 H GLU A 33 30.586 -8.628 -21.331 1.00 0.00 H new ATOM 0 HA GLU A 33 30.426 -8.472 -18.399 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.225 -6.610 -20.363 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.527 -7.020 -20.221 1.00 0.00 H new ATOM 0 HG2 GLU A 33 28.837 -5.276 -18.614 1.00 0.00 H new ATOM 0 HG3 GLU A 33 28.825 -6.741 -17.653 1.00 0.00 H new ATOM 382 N LYS A 34 28.038 -9.303 -17.954 1.00 0.00 N ATOM 383 CA LYS A 34 26.805 -10.100 -17.685 1.00 0.00 C ATOM 384 C LYS A 34 25.596 -9.171 -17.586 1.00 0.00 C ATOM 385 O LYS A 34 25.686 -8.055 -17.112 1.00 0.00 O ATOM 386 CB LYS A 34 26.970 -10.858 -16.366 1.00 0.00 C ATOM 387 CG LYS A 34 28.056 -11.925 -16.525 1.00 0.00 C ATOM 388 CD LYS A 34 28.033 -12.859 -15.313 1.00 0.00 C ATOM 389 CE LYS A 34 27.950 -14.311 -15.789 1.00 0.00 C ATOM 390 NZ LYS A 34 26.693 -14.507 -16.565 1.00 0.00 N ATOM 0 H LYS A 34 28.392 -8.776 -17.156 1.00 0.00 H new ATOM 0 HA LYS A 34 26.649 -10.806 -18.500 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.238 -10.166 -15.568 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.026 -11.323 -16.081 1.00 0.00 H new ATOM 0 HG2 LYS A 34 27.891 -12.494 -17.440 1.00 0.00 H new ATOM 0 HG3 LYS A 34 29.034 -11.453 -16.616 1.00 0.00 H new ATOM 0 HD2 LYS A 34 28.930 -12.713 -14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 34 27.180 -12.625 -14.676 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.814 -14.552 -16.408 1.00 0.00 H new ATOM 0 HE3 LYS A 34 27.972 -14.987 -14.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 26.117 -15.246 -16.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 26.157 -13.616 -16.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 26.926 -14.796 -17.536 1.00 0.00 H new ATOM 404 N MET A 35 24.466 -9.629 -18.039 1.00 0.00 N ATOM 405 CA MET A 35 23.232 -8.800 -17.993 1.00 0.00 C ATOM 406 C MET A 35 22.047 -9.666 -17.570 1.00 0.00 C ATOM 407 O MET A 35 22.031 -10.864 -17.774 1.00 0.00 O ATOM 408 CB MET A 35 22.960 -8.232 -19.382 1.00 0.00 C ATOM 409 CG MET A 35 23.871 -7.025 -19.618 1.00 0.00 C ATOM 410 SD MET A 35 25.171 -7.468 -20.798 1.00 0.00 S ATOM 411 CE MET A 35 24.103 -8.242 -22.036 1.00 0.00 C ATOM 0 H MET A 35 24.343 -10.556 -18.445 1.00 0.00 H new ATOM 0 HA MET A 35 23.366 -7.990 -17.277 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.140 -8.993 -20.141 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.914 -7.936 -19.469 1.00 0.00 H new ATOM 0 HG2 MET A 35 23.289 -6.186 -20.000 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.315 -6.702 -18.676 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.443 -7.965 -23.034 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.144 -9.326 -21.926 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.077 -7.902 -21.895 1.00 0.00 H new ATOM 421 N LYS A 36 21.052 -9.059 -16.990 1.00 0.00 N ATOM 422 CA LYS A 36 19.853 -9.827 -16.555 1.00 0.00 C ATOM 423 C LYS A 36 18.627 -9.261 -17.270 1.00 0.00 C ATOM 424 O LYS A 36 18.469 -8.063 -17.382 1.00 0.00 O ATOM 425 CB LYS A 36 19.676 -9.689 -15.041 1.00 0.00 C ATOM 426 CG LYS A 36 18.339 -10.304 -14.624 1.00 0.00 C ATOM 427 CD LYS A 36 17.961 -9.803 -13.228 1.00 0.00 C ATOM 428 CE LYS A 36 17.227 -10.910 -12.469 1.00 0.00 C ATOM 429 NZ LYS A 36 18.002 -11.272 -11.249 1.00 0.00 N ATOM 0 H LYS A 36 21.017 -8.058 -16.797 1.00 0.00 H new ATOM 0 HA LYS A 36 19.975 -10.882 -16.802 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.495 -10.187 -14.522 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.710 -8.638 -14.755 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.563 -10.035 -15.341 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.411 -11.392 -14.625 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.856 -9.506 -12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.327 -8.920 -13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.227 -10.575 -12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.104 -11.784 -13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.504 -12.025 -10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.947 -11.608 -11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.097 -10.436 -10.637 1.00 0.00 H new ATOM 443 N VAL A 37 17.762 -10.103 -17.764 1.00 0.00 N ATOM 444 CA VAL A 37 16.564 -9.581 -18.479 1.00 0.00 C ATOM 445 C VAL A 37 15.359 -9.574 -17.535 1.00 0.00 C ATOM 446 O VAL A 37 14.946 -10.599 -17.031 1.00 0.00 O ATOM 447 CB VAL A 37 16.263 -10.459 -19.692 1.00 0.00 C ATOM 448 CG1 VAL A 37 15.337 -9.710 -20.648 1.00 0.00 C ATOM 449 CG2 VAL A 37 17.569 -10.803 -20.410 1.00 0.00 C ATOM 0 H VAL A 37 17.831 -11.119 -17.705 1.00 0.00 H new ATOM 0 HA VAL A 37 16.763 -8.563 -18.814 1.00 0.00 H new ATOM 0 HB VAL A 37 15.777 -11.377 -19.363 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.123 -10.337 -21.513 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.406 -9.467 -20.137 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.821 -8.790 -20.977 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.354 -11.430 -21.276 1.00 0.00 H new ATOM 0 HG22 VAL A 37 18.056 -9.885 -20.739 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.229 -11.340 -19.728 1.00 0.00 H new ATOM 459 N LEU A 38 14.802 -8.420 -17.288 1.00 0.00 N ATOM 460 CA LEU A 38 13.631 -8.339 -16.372 1.00 0.00 C ATOM 461 C LEU A 38 12.331 -8.546 -17.156 1.00 0.00 C ATOM 462 O LEU A 38 11.306 -8.868 -16.590 1.00 0.00 O ATOM 463 CB LEU A 38 13.605 -6.961 -15.703 1.00 0.00 C ATOM 464 CG LEU A 38 14.891 -6.758 -14.897 1.00 0.00 C ATOM 465 CD1 LEU A 38 15.177 -8.012 -14.067 1.00 0.00 C ATOM 466 CD2 LEU A 38 16.057 -6.501 -15.852 1.00 0.00 C ATOM 0 H LEU A 38 15.108 -7.530 -17.681 1.00 0.00 H new ATOM 0 HA LEU A 38 13.718 -9.118 -15.615 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.510 -6.181 -16.458 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.737 -6.879 -15.049 1.00 0.00 H new ATOM 0 HG LEU A 38 14.771 -5.902 -14.232 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.092 -7.868 -13.493 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.346 -8.194 -13.385 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.296 -8.868 -14.731 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.972 -6.356 -15.278 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.177 -7.356 -16.518 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.854 -5.607 -16.442 1.00 0.00 H new ATOM 478 N GLU A 39 12.356 -8.364 -18.450 1.00 0.00 N ATOM 479 CA GLU A 39 11.108 -8.554 -19.240 1.00 0.00 C ATOM 480 C GLU A 39 11.451 -9.098 -20.627 1.00 0.00 C ATOM 481 O GLU A 39 12.402 -8.675 -21.253 1.00 0.00 O ATOM 482 CB GLU A 39 10.385 -7.213 -19.383 1.00 0.00 C ATOM 483 CG GLU A 39 11.303 -6.210 -20.084 1.00 0.00 C ATOM 484 CD GLU A 39 10.604 -4.852 -20.170 1.00 0.00 C ATOM 485 OE1 GLU A 39 10.435 -4.229 -19.135 1.00 0.00 O ATOM 486 OE2 GLU A 39 10.251 -4.459 -21.270 1.00 0.00 O ATOM 0 H GLU A 39 13.179 -8.095 -18.989 1.00 0.00 H new ATOM 0 HA GLU A 39 10.461 -9.264 -18.725 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.466 -7.342 -19.955 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.099 -6.836 -18.401 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.240 -6.114 -19.536 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.553 -6.566 -21.083 1.00 0.00 H new ATOM 493 N GLU A 40 10.677 -10.029 -21.113 1.00 0.00 N ATOM 494 CA GLU A 40 10.952 -10.597 -22.461 1.00 0.00 C ATOM 495 C GLU A 40 9.882 -10.109 -23.438 1.00 0.00 C ATOM 496 O GLU A 40 8.704 -10.107 -23.136 1.00 0.00 O ATOM 497 CB GLU A 40 10.922 -12.126 -22.389 1.00 0.00 C ATOM 498 CG GLU A 40 10.859 -12.704 -23.805 1.00 0.00 C ATOM 499 CD GLU A 40 9.459 -13.264 -24.064 1.00 0.00 C ATOM 500 OE1 GLU A 40 8.887 -13.827 -23.144 1.00 0.00 O ATOM 501 OE2 GLU A 40 8.981 -13.120 -25.178 1.00 0.00 O ATOM 0 H GLU A 40 9.866 -10.420 -20.634 1.00 0.00 H new ATOM 0 HA GLU A 40 11.935 -10.273 -22.802 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.810 -12.494 -21.874 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.059 -12.456 -21.811 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.094 -11.930 -24.536 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.605 -13.490 -23.922 1.00 0.00 H new ATOM 508 N HIS A 41 10.279 -9.694 -24.608 1.00 0.00 N ATOM 509 CA HIS A 41 9.287 -9.205 -25.604 1.00 0.00 C ATOM 510 C HIS A 41 9.416 -10.025 -26.888 1.00 0.00 C ATOM 511 O HIS A 41 9.264 -9.515 -27.980 1.00 0.00 O ATOM 512 CB HIS A 41 9.563 -7.733 -25.911 1.00 0.00 C ATOM 513 CG HIS A 41 9.112 -6.886 -24.753 1.00 0.00 C ATOM 514 ND1 HIS A 41 7.957 -6.120 -24.803 1.00 0.00 N ATOM 515 CD2 HIS A 41 9.650 -6.672 -23.508 1.00 0.00 C ATOM 516 CE1 HIS A 41 7.839 -5.486 -23.621 1.00 0.00 C ATOM 517 NE2 HIS A 41 8.845 -5.788 -22.795 1.00 0.00 N ATOM 0 H HIS A 41 11.251 -9.672 -24.918 1.00 0.00 H new ATOM 0 HA HIS A 41 8.279 -9.311 -25.202 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.627 -7.582 -26.093 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.039 -7.435 -26.819 1.00 0.00 H new ATOM 0 HD2 HIS A 41 10.560 -7.121 -23.138 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.030 -4.815 -23.371 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.992 -5.445 -21.846 1.00 0.00 H new ATOM 525 N GLY A 42 9.698 -11.293 -26.766 1.00 0.00 N ATOM 526 CA GLY A 42 9.838 -12.143 -27.980 1.00 0.00 C ATOM 527 C GLY A 42 11.311 -12.202 -28.394 1.00 0.00 C ATOM 528 O GLY A 42 12.125 -12.827 -27.745 1.00 0.00 O ATOM 0 H GLY A 42 9.837 -11.776 -25.879 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.465 -13.147 -27.779 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.237 -11.737 -28.793 1.00 0.00 H new ATOM 532 N GLU A 43 11.656 -11.559 -29.476 1.00 0.00 N ATOM 533 CA GLU A 43 13.073 -11.583 -29.937 1.00 0.00 C ATOM 534 C GLU A 43 13.862 -10.455 -29.265 1.00 0.00 C ATOM 535 O GLU A 43 15.066 -10.367 -29.400 1.00 0.00 O ATOM 536 CB GLU A 43 13.117 -11.398 -31.455 1.00 0.00 C ATOM 537 CG GLU A 43 13.517 -12.717 -32.118 1.00 0.00 C ATOM 538 CD GLU A 43 12.644 -12.955 -33.351 1.00 0.00 C ATOM 539 OE1 GLU A 43 12.804 -12.225 -34.316 1.00 0.00 O ATOM 540 OE2 GLU A 43 11.829 -13.862 -33.310 1.00 0.00 O ATOM 0 H GLU A 43 11.018 -11.018 -30.060 1.00 0.00 H new ATOM 0 HA GLU A 43 13.519 -12.541 -29.669 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.142 -11.076 -31.821 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.830 -10.616 -31.716 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.568 -12.688 -32.404 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.401 -13.540 -31.413 1.00 0.00 H new ATOM 547 N TRP A 44 13.201 -9.590 -28.545 1.00 0.00 N ATOM 548 CA TRP A 44 13.932 -8.476 -27.876 1.00 0.00 C ATOM 549 C TRP A 44 13.531 -8.404 -26.401 1.00 0.00 C ATOM 550 O TRP A 44 12.389 -8.622 -26.049 1.00 0.00 O ATOM 551 CB TRP A 44 13.585 -7.154 -28.563 1.00 0.00 C ATOM 552 CG TRP A 44 14.447 -6.979 -29.772 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.502 -7.837 -30.816 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.375 -5.899 -30.081 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.405 -7.353 -31.746 1.00 0.00 N ATOM 556 CE2 TRP A 44 15.969 -6.160 -31.339 1.00 0.00 C ATOM 557 CE3 TRP A 44 15.755 -4.729 -29.398 1.00 0.00 C ATOM 558 CZ2 TRP A 44 16.906 -5.292 -31.899 1.00 0.00 C ATOM 559 CZ3 TRP A 44 16.699 -3.853 -29.961 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.273 -4.135 -31.209 1.00 0.00 C ATOM 0 H TRP A 44 12.193 -9.606 -28.391 1.00 0.00 H new ATOM 0 HA TRP A 44 15.005 -8.656 -27.948 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.533 -7.146 -28.849 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.735 -6.323 -27.873 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.934 -8.751 -30.909 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.627 -7.820 -32.625 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.319 -4.503 -28.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.345 -5.513 -32.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 16.984 -2.957 -29.429 1.00 0.00 H new ATOM 0 HH2 TRP A 44 17.998 -3.458 -31.636 1.00 0.00 H new ATOM 571 N TRP A 45 14.458 -8.094 -25.535 1.00 0.00 N ATOM 572 CA TRP A 45 14.119 -8.004 -24.084 1.00 0.00 C ATOM 573 C TRP A 45 14.856 -6.823 -23.453 1.00 0.00 C ATOM 574 O TRP A 45 15.773 -6.268 -24.027 1.00 0.00 O ATOM 575 CB TRP A 45 14.541 -9.283 -23.356 1.00 0.00 C ATOM 576 CG TRP A 45 14.673 -10.423 -24.315 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.701 -10.866 -25.145 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.827 -11.281 -24.540 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.188 -11.940 -25.868 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.495 -12.233 -25.530 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.118 -11.320 -23.987 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.412 -13.194 -25.955 1.00 0.00 C ATOM 583 CZ3 TRP A 45 18.045 -12.285 -24.412 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.693 -13.221 -25.395 1.00 0.00 C ATOM 0 H TRP A 45 15.432 -7.900 -25.767 1.00 0.00 H new ATOM 0 HA TRP A 45 13.041 -7.869 -23.992 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.490 -9.120 -22.846 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.806 -9.530 -22.590 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.708 -10.450 -25.229 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.648 -12.453 -26.565 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.399 -10.603 -23.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.134 -13.913 -26.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 19.034 -12.307 -23.980 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.410 -13.961 -25.719 1.00 0.00 H new ATOM 595 N LYS A 46 14.475 -6.453 -22.262 1.00 0.00 N ATOM 596 CA LYS A 46 15.162 -5.330 -21.570 1.00 0.00 C ATOM 597 C LYS A 46 15.962 -5.906 -20.404 1.00 0.00 C ATOM 598 O LYS A 46 15.421 -6.533 -19.515 1.00 0.00 O ATOM 599 CB LYS A 46 14.127 -4.332 -21.049 1.00 0.00 C ATOM 600 CG LYS A 46 14.705 -2.916 -21.119 1.00 0.00 C ATOM 601 CD LYS A 46 13.587 -1.898 -20.885 1.00 0.00 C ATOM 602 CE LYS A 46 13.516 -1.552 -19.397 1.00 0.00 C ATOM 603 NZ LYS A 46 12.100 -1.611 -18.939 1.00 0.00 N ATOM 0 H LYS A 46 13.714 -6.883 -21.737 1.00 0.00 H new ATOM 0 HA LYS A 46 15.827 -4.811 -22.261 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.215 -4.394 -21.643 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.856 -4.576 -20.022 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.487 -2.793 -20.369 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.167 -2.748 -22.092 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.772 -0.997 -21.470 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.633 -2.306 -21.220 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.125 -2.249 -18.821 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.924 -0.556 -19.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.052 -1.376 -17.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.531 -0.929 -19.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.726 -2.570 -19.089 1.00 0.00 H new ATOM 617 N ALA A 47 17.250 -5.716 -20.410 1.00 0.00 N ATOM 618 CA ALA A 47 18.088 -6.275 -19.312 1.00 0.00 C ATOM 619 C ALA A 47 18.737 -5.149 -18.507 1.00 0.00 C ATOM 620 O ALA A 47 18.446 -3.984 -18.692 1.00 0.00 O ATOM 621 CB ALA A 47 19.182 -7.160 -19.914 1.00 0.00 C ATOM 0 H ALA A 47 17.760 -5.199 -21.126 1.00 0.00 H new ATOM 0 HA ALA A 47 17.453 -6.862 -18.648 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.798 -7.572 -19.114 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.724 -7.975 -20.475 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.805 -6.565 -20.582 1.00 0.00 H new ATOM 627 N LYS A 48 19.622 -5.500 -17.615 1.00 0.00 N ATOM 628 CA LYS A 48 20.310 -4.471 -16.787 1.00 0.00 C ATOM 629 C LYS A 48 21.786 -4.846 -16.658 1.00 0.00 C ATOM 630 O LYS A 48 22.138 -6.011 -16.652 1.00 0.00 O ATOM 631 CB LYS A 48 19.670 -4.418 -15.397 1.00 0.00 C ATOM 632 CG LYS A 48 20.561 -3.601 -14.457 1.00 0.00 C ATOM 633 CD LYS A 48 19.807 -3.322 -13.156 1.00 0.00 C ATOM 634 CE LYS A 48 20.587 -3.911 -11.978 1.00 0.00 C ATOM 635 NZ LYS A 48 19.856 -5.093 -11.440 1.00 0.00 N ATOM 0 H LYS A 48 19.900 -6.463 -17.423 1.00 0.00 H new ATOM 0 HA LYS A 48 20.217 -3.493 -17.260 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.679 -3.969 -15.458 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.539 -5.427 -15.006 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.482 -4.145 -14.247 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.847 -2.663 -14.933 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.679 -2.248 -13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.809 -3.759 -13.200 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.587 -4.204 -12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.710 -3.160 -11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.385 -5.494 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.911 -4.800 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.760 -5.811 -12.186 1.00 0.00 H new ATOM 649 N SER A 49 22.656 -3.876 -16.567 1.00 0.00 N ATOM 650 CA SER A 49 24.108 -4.195 -16.455 1.00 0.00 C ATOM 651 C SER A 49 24.470 -4.429 -14.987 1.00 0.00 C ATOM 652 O SER A 49 24.227 -3.593 -14.140 1.00 0.00 O ATOM 653 CB SER A 49 24.930 -3.028 -17.002 1.00 0.00 C ATOM 654 OG SER A 49 26.165 -3.514 -17.507 1.00 0.00 O ATOM 0 H SER A 49 22.426 -2.882 -16.565 1.00 0.00 H new ATOM 0 HA SER A 49 24.326 -5.095 -17.030 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.377 -2.519 -17.791 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.110 -2.296 -16.215 1.00 0.00 H new ATOM 0 HG SER A 49 26.691 -2.766 -17.859 1.00 0.00 H new ATOM 660 N LEU A 50 25.044 -5.557 -14.676 1.00 0.00 N ATOM 661 CA LEU A 50 25.411 -5.829 -13.257 1.00 0.00 C ATOM 662 C LEU A 50 26.565 -4.910 -12.845 1.00 0.00 C ATOM 663 O LEU A 50 26.910 -4.808 -11.685 1.00 0.00 O ATOM 664 CB LEU A 50 25.841 -7.289 -13.108 1.00 0.00 C ATOM 665 CG LEU A 50 24.613 -8.196 -13.214 1.00 0.00 C ATOM 666 CD1 LEU A 50 25.059 -9.659 -13.210 1.00 0.00 C ATOM 667 CD2 LEU A 50 23.687 -7.941 -12.024 1.00 0.00 C ATOM 0 H LEU A 50 25.274 -6.299 -15.337 1.00 0.00 H new ATOM 0 HA LEU A 50 24.549 -5.641 -12.617 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.565 -7.547 -13.881 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.334 -7.438 -12.147 1.00 0.00 H new ATOM 0 HG LEU A 50 24.081 -7.981 -14.141 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.185 -10.306 -13.285 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.719 -9.840 -14.058 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.591 -9.875 -12.283 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.812 -8.587 -12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.218 -8.156 -11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.370 -6.898 -12.027 1.00 0.00 H new ATOM 679 N LEU A 51 27.166 -4.242 -13.794 1.00 0.00 N ATOM 680 CA LEU A 51 28.301 -3.329 -13.471 1.00 0.00 C ATOM 681 C LEU A 51 27.766 -1.950 -13.087 1.00 0.00 C ATOM 682 O LEU A 51 28.077 -1.419 -12.040 1.00 0.00 O ATOM 683 CB LEU A 51 29.207 -3.196 -14.696 1.00 0.00 C ATOM 684 CG LEU A 51 30.521 -2.526 -14.288 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.437 -3.559 -13.629 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.209 -1.953 -15.529 1.00 0.00 C ATOM 0 H LEU A 51 26.919 -4.290 -14.782 1.00 0.00 H new ATOM 0 HA LEU A 51 28.867 -3.741 -12.635 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.405 -4.179 -15.124 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.710 -2.607 -15.467 1.00 0.00 H new ATOM 0 HG LEU A 51 30.314 -1.721 -13.583 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.373 -3.082 -13.338 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.948 -3.967 -12.745 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.644 -4.364 -14.334 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.145 -1.476 -15.238 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.416 -2.758 -16.235 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.557 -1.217 -15.999 1.00 0.00 H new ATOM 698 N THR A 52 26.964 -1.364 -13.930 1.00 0.00 N ATOM 699 CA THR A 52 26.408 -0.015 -13.618 1.00 0.00 C ATOM 700 C THR A 52 24.919 -0.145 -13.290 1.00 0.00 C ATOM 701 O THR A 52 24.245 0.831 -13.028 1.00 0.00 O ATOM 702 CB THR A 52 26.594 0.916 -14.821 1.00 0.00 C ATOM 703 OG1 THR A 52 25.334 1.153 -15.434 1.00 0.00 O ATOM 704 CG2 THR A 52 27.541 0.272 -15.835 1.00 0.00 C ATOM 0 H THR A 52 26.668 -1.759 -14.822 1.00 0.00 H new ATOM 0 HA THR A 52 26.935 0.404 -12.761 1.00 0.00 H new ATOM 0 HB THR A 52 27.020 1.860 -14.482 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.315 2.061 -15.803 1.00 0.00 H new ATOM 0 HG21 THR A 52 27.669 0.939 -16.688 1.00 0.00 H new ATOM 0 HG22 THR A 52 28.509 0.092 -15.366 1.00 0.00 H new ATOM 0 HG23 THR A 52 27.121 -0.675 -16.175 1.00 0.00 H new ATOM 712 N LYS A 53 24.404 -1.342 -13.291 1.00 0.00 N ATOM 713 CA LYS A 53 22.964 -1.539 -12.966 1.00 0.00 C ATOM 714 C LYS A 53 22.089 -0.729 -13.921 1.00 0.00 C ATOM 715 O LYS A 53 20.964 -0.393 -13.608 1.00 0.00 O ATOM 716 CB LYS A 53 22.701 -1.088 -11.529 1.00 0.00 C ATOM 717 CG LYS A 53 23.900 -1.455 -10.651 1.00 0.00 C ATOM 718 CD LYS A 53 23.414 -2.217 -9.416 1.00 0.00 C ATOM 719 CE LYS A 53 24.611 -2.851 -8.705 1.00 0.00 C ATOM 720 NZ LYS A 53 25.619 -1.799 -8.394 1.00 0.00 N ATOM 0 H LYS A 53 24.920 -2.196 -13.504 1.00 0.00 H new ATOM 0 HA LYS A 53 22.719 -2.596 -13.073 1.00 0.00 H new ATOM 0 HB2 LYS A 53 22.531 -0.012 -11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.798 -1.564 -11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 53 24.604 -2.067 -11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.433 -0.553 -10.349 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.892 -1.540 -8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 53 22.701 -2.988 -9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 53 24.285 -3.340 -7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.056 -3.621 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.271 -2.148 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.155 -1.567 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.135 -0.946 -8.047 1.00 0.00 H new ATOM 734 N LYS A 54 22.579 -0.427 -15.091 1.00 0.00 N ATOM 735 CA LYS A 54 21.747 0.340 -16.057 1.00 0.00 C ATOM 736 C LYS A 54 20.835 -0.643 -16.789 1.00 0.00 C ATOM 737 O LYS A 54 21.212 -1.768 -17.044 1.00 0.00 O ATOM 738 CB LYS A 54 22.648 1.058 -17.064 1.00 0.00 C ATOM 739 CG LYS A 54 22.046 2.423 -17.404 1.00 0.00 C ATOM 740 CD LYS A 54 22.693 2.963 -18.681 1.00 0.00 C ATOM 741 CE LYS A 54 24.054 3.576 -18.342 1.00 0.00 C ATOM 742 NZ LYS A 54 23.853 4.907 -17.704 1.00 0.00 N ATOM 0 H LYS A 54 23.513 -0.676 -15.418 1.00 0.00 H new ATOM 0 HA LYS A 54 21.152 1.085 -15.530 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.648 1.183 -16.649 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.751 0.458 -17.968 1.00 0.00 H new ATOM 0 HG2 LYS A 54 20.968 2.333 -17.540 1.00 0.00 H new ATOM 0 HG3 LYS A 54 22.207 3.118 -16.580 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.815 2.160 -19.408 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.048 3.713 -19.139 1.00 0.00 H new ATOM 0 HE2 LYS A 54 24.604 2.918 -17.670 1.00 0.00 H new ATOM 0 HE3 LYS A 54 24.653 3.681 -19.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 24.733 5.458 -17.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 23.091 5.416 -18.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 23.594 4.778 -16.705 1.00 0.00 H new ATOM 756 N GLU A 55 19.642 -0.242 -17.124 1.00 0.00 N ATOM 757 CA GLU A 55 18.726 -1.181 -17.829 1.00 0.00 C ATOM 758 C GLU A 55 18.352 -0.610 -19.196 1.00 0.00 C ATOM 759 O GLU A 55 18.158 0.579 -19.355 1.00 0.00 O ATOM 760 CB GLU A 55 17.459 -1.385 -16.996 1.00 0.00 C ATOM 761 CG GLU A 55 16.965 -0.032 -16.478 1.00 0.00 C ATOM 762 CD GLU A 55 17.302 0.099 -14.992 1.00 0.00 C ATOM 763 OE1 GLU A 55 16.917 -0.780 -14.237 1.00 0.00 O ATOM 764 OE2 GLU A 55 17.939 1.075 -14.632 1.00 0.00 O ATOM 0 H GLU A 55 19.263 0.687 -16.942 1.00 0.00 H new ATOM 0 HA GLU A 55 19.229 -2.138 -17.964 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.686 -1.859 -17.601 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.664 -2.053 -16.160 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.431 0.777 -17.040 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.889 0.055 -16.627 1.00 0.00 H new ATOM 771 N GLY A 56 18.247 -1.453 -20.186 1.00 0.00 N ATOM 772 CA GLY A 56 17.884 -0.969 -21.545 1.00 0.00 C ATOM 773 C GLY A 56 17.529 -2.161 -22.427 1.00 0.00 C ATOM 774 O GLY A 56 17.804 -3.298 -22.097 1.00 0.00 O ATOM 0 H GLY A 56 18.398 -2.459 -20.111 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.040 -0.282 -21.485 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.716 -0.415 -21.980 1.00 0.00 H new ATOM 778 N PHE A 57 16.909 -1.911 -23.542 1.00 0.00 N ATOM 779 CA PHE A 57 16.521 -3.026 -24.448 1.00 0.00 C ATOM 780 C PHE A 57 17.773 -3.668 -25.051 1.00 0.00 C ATOM 781 O PHE A 57 18.675 -2.993 -25.504 1.00 0.00 O ATOM 782 CB PHE A 57 15.640 -2.481 -25.573 1.00 0.00 C ATOM 783 CG PHE A 57 14.186 -2.625 -25.190 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.672 -3.883 -24.856 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.354 -1.500 -25.168 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.324 -4.016 -24.501 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.006 -1.633 -24.814 1.00 0.00 C ATOM 788 CZ PHE A 57 11.491 -2.892 -24.481 1.00 0.00 C ATOM 0 H PHE A 57 16.652 -0.979 -23.868 1.00 0.00 H new ATOM 0 HA PHE A 57 15.972 -3.776 -23.879 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.876 -1.433 -25.759 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.838 -3.021 -26.499 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.315 -4.751 -24.872 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.752 -0.529 -25.424 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.927 -4.987 -24.243 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.364 -0.765 -24.798 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.451 -2.995 -24.209 1.00 0.00 H new ATOM 798 N ILE A 58 17.821 -4.972 -25.071 1.00 0.00 N ATOM 799 CA ILE A 58 19.001 -5.672 -25.658 1.00 0.00 C ATOM 800 C ILE A 58 18.512 -6.628 -26.746 1.00 0.00 C ATOM 801 O ILE A 58 17.452 -7.215 -26.632 1.00 0.00 O ATOM 802 CB ILE A 58 19.726 -6.465 -24.567 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.721 -7.323 -23.799 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.413 -5.497 -23.602 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.460 -8.468 -23.100 1.00 0.00 C ATOM 0 H ILE A 58 17.092 -5.585 -24.705 1.00 0.00 H new ATOM 0 HA ILE A 58 19.690 -4.943 -26.084 1.00 0.00 H new ATOM 0 HB ILE A 58 20.473 -7.111 -25.028 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.193 -6.715 -23.065 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.971 -7.722 -24.481 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.929 -6.062 -22.826 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.134 -4.889 -24.148 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.666 -4.849 -23.143 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.745 -9.081 -22.552 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.968 -9.081 -23.844 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.193 -8.058 -22.406 1.00 0.00 H new ATOM 817 N PRO A 59 19.293 -6.788 -27.827 1.00 0.00 N ATOM 818 CA PRO A 59 18.918 -7.675 -28.933 1.00 0.00 C ATOM 819 C PRO A 59 19.041 -9.144 -28.518 1.00 0.00 C ATOM 820 O PRO A 59 19.869 -9.484 -27.696 1.00 0.00 O ATOM 821 CB PRO A 59 19.941 -7.346 -30.018 1.00 0.00 C ATOM 822 CG PRO A 59 21.122 -6.815 -29.277 1.00 0.00 C ATOM 823 CD PRO A 59 20.588 -6.124 -28.053 1.00 0.00 C ATOM 0 HA PRO A 59 17.887 -7.533 -29.256 1.00 0.00 H new ATOM 0 HB2 PRO A 59 20.202 -8.232 -30.597 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.550 -6.610 -30.720 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.801 -7.622 -29.001 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.688 -6.121 -29.898 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.256 -6.244 -27.200 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.468 -5.053 -28.216 1.00 0.00 H new ATOM 831 N SER A 60 18.239 -10.023 -29.050 1.00 0.00 N ATOM 832 CA SER A 60 18.356 -11.447 -28.631 1.00 0.00 C ATOM 833 C SER A 60 19.404 -12.167 -29.485 1.00 0.00 C ATOM 834 O SER A 60 19.329 -13.362 -29.694 1.00 0.00 O ATOM 835 CB SER A 60 17.004 -12.139 -28.780 1.00 0.00 C ATOM 836 OG SER A 60 17.124 -13.501 -28.403 1.00 0.00 O ATOM 0 H SER A 60 17.520 -9.823 -29.745 1.00 0.00 H new ATOM 0 HA SER A 60 18.668 -11.484 -27.587 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.259 -11.643 -28.158 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.658 -12.065 -29.811 1.00 0.00 H new ATOM 0 HG SER A 60 17.390 -13.558 -27.462 1.00 0.00 H new ATOM 842 N ASN A 61 20.388 -11.460 -29.973 1.00 0.00 N ATOM 843 CA ASN A 61 21.436 -12.126 -30.799 1.00 0.00 C ATOM 844 C ASN A 61 22.822 -11.610 -30.395 1.00 0.00 C ATOM 845 O ASN A 61 23.829 -12.039 -30.920 1.00 0.00 O ATOM 846 CB ASN A 61 21.190 -11.836 -32.280 1.00 0.00 C ATOM 847 CG ASN A 61 19.821 -12.384 -32.686 1.00 0.00 C ATOM 848 OD1 ASN A 61 19.389 -13.404 -32.186 1.00 0.00 O ATOM 849 ND2 ASN A 61 19.114 -11.746 -33.578 1.00 0.00 N ATOM 0 H ASN A 61 20.511 -10.457 -29.837 1.00 0.00 H new ATOM 0 HA ASN A 61 21.391 -13.202 -30.632 1.00 0.00 H new ATOM 0 HB2 ASN A 61 21.233 -10.762 -32.463 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.971 -12.294 -32.886 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.200 -12.103 -33.855 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.476 -10.890 -33.998 1.00 0.00 H new ATOM 856 N TYR A 62 22.884 -10.703 -29.459 1.00 0.00 N ATOM 857 CA TYR A 62 24.209 -10.178 -29.019 1.00 0.00 C ATOM 858 C TYR A 62 24.546 -10.754 -27.642 1.00 0.00 C ATOM 859 O TYR A 62 25.696 -10.844 -27.259 1.00 0.00 O ATOM 860 CB TYR A 62 24.160 -8.651 -28.932 1.00 0.00 C ATOM 861 CG TYR A 62 24.286 -8.063 -30.318 1.00 0.00 C ATOM 862 CD1 TYR A 62 23.206 -8.124 -31.206 1.00 0.00 C ATOM 863 CD2 TYR A 62 25.483 -7.454 -30.712 1.00 0.00 C ATOM 864 CE1 TYR A 62 23.324 -7.577 -32.489 1.00 0.00 C ATOM 865 CE2 TYR A 62 25.601 -6.908 -31.995 1.00 0.00 C ATOM 866 CZ TYR A 62 24.521 -6.968 -32.885 1.00 0.00 C ATOM 867 OH TYR A 62 24.637 -6.430 -34.150 1.00 0.00 O ATOM 0 H TYR A 62 22.077 -10.303 -28.980 1.00 0.00 H new ATOM 0 HA TYR A 62 24.972 -10.472 -29.740 1.00 0.00 H new ATOM 0 HB2 TYR A 62 23.224 -8.332 -28.474 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.967 -8.286 -28.296 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.282 -8.593 -30.901 1.00 0.00 H new ATOM 0 HD2 TYR A 62 26.316 -7.405 -30.026 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.491 -7.625 -33.174 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.526 -6.440 -32.299 1.00 0.00 H new ATOM 0 HH TYR A 62 25.532 -6.046 -34.261 1.00 0.00 H new ATOM 877 N VAL A 63 23.551 -11.150 -26.897 1.00 0.00 N ATOM 878 CA VAL A 63 23.807 -11.727 -25.546 1.00 0.00 C ATOM 879 C VAL A 63 23.178 -13.116 -25.463 1.00 0.00 C ATOM 880 O VAL A 63 22.256 -13.432 -26.189 1.00 0.00 O ATOM 881 CB VAL A 63 23.180 -10.831 -24.478 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.688 -9.399 -24.648 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.657 -10.852 -24.623 1.00 0.00 C ATOM 0 H VAL A 63 22.568 -11.099 -27.166 1.00 0.00 H new ATOM 0 HA VAL A 63 24.882 -11.796 -25.381 1.00 0.00 H new ATOM 0 HB VAL A 63 23.456 -11.199 -23.490 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.240 -8.761 -23.886 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.773 -9.383 -24.543 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.414 -9.031 -25.636 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.210 -10.213 -23.861 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.381 -10.486 -25.612 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.294 -11.872 -24.499 1.00 0.00 H new