USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 421 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.717 (180deg=0.436) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.435 K(o=-0.43,f=-3.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 138:sc= 0.0954 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 163:sc= -0.0608 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -110:sc= -0.329 USER MOD Single : A 28 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 32 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.38) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.365 X(o=-0.37,f=-0.0078) USER MOD Single : A 37 ASN : amide:sc= 0.411 X(o=0.41,f=-0.0078) USER MOD Single : A 44 THR OG1 : rot -54:sc= 0.652 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 50 LYS NZ :NH3+ -167:sc=0.000326 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.991 -8.509 7.944 1.00 2.03 N ATOM 2 CA MET A 1 18.724 -9.573 8.620 1.00 34.23 C ATOM 3 C MET A 1 18.354 -10.936 8.047 1.00 73.15 C ATOM 4 O MET A 1 17.221 -11.397 8.191 1.00 63.51 O ATOM 5 CB MET A 1 18.438 -9.544 10.122 1.00 42.53 C ATOM 6 CG MET A 1 18.770 -8.212 10.779 1.00 45.15 C ATOM 7 SD MET A 1 18.835 -8.321 12.577 1.00 3.33 S ATOM 8 CE MET A 1 19.349 -6.658 12.998 1.00 73.52 C ATOM 0 H1 MET A 1 18.431 -7.592 8.161 1.00 2.03 H new ATOM 0 H2 MET A 1 18.014 -8.670 6.917 1.00 2.03 H new ATOM 0 H3 MET A 1 17.004 -8.505 8.271 1.00 2.03 H new ATOM 0 HA MET A 1 19.789 -9.407 8.457 1.00 34.23 H new ATOM 0 HB2 MET A 1 17.384 -9.769 10.287 1.00 42.53 H new ATOM 0 HB3 MET A 1 19.012 -10.333 10.608 1.00 42.53 H new ATOM 0 HG2 MET A 1 19.730 -7.857 10.406 1.00 45.15 H new ATOM 0 HG3 MET A 1 18.023 -7.473 10.491 1.00 45.15 H new ATOM 0 HE1 MET A 1 19.434 -6.567 14.081 1.00 73.52 H new ATOM 0 HE2 MET A 1 20.315 -6.449 12.539 1.00 73.52 H new ATOM 0 HE3 MET A 1 18.611 -5.945 12.631 1.00 73.52 H new ATOM 18 N THR A 2 19.318 -11.582 7.395 1.00 32.33 N ATOM 19 CA THR A 2 19.093 -12.892 6.799 1.00 25.25 C ATOM 20 C THR A 2 19.199 -13.997 7.845 1.00 52.42 C ATOM 21 O THR A 2 20.240 -14.163 8.481 1.00 3.11 O ATOM 22 CB THR A 2 20.097 -13.174 5.665 1.00 23.24 C ATOM 23 OG1 THR A 2 20.014 -12.147 4.672 1.00 35.55 O ATOM 24 CG2 THR A 2 19.827 -14.528 5.028 1.00 50.33 C ATOM 0 H THR A 2 20.262 -11.218 7.267 1.00 32.33 H new ATOM 0 HA THR A 2 18.084 -12.883 6.386 1.00 25.25 H new ATOM 0 HB THR A 2 21.100 -13.186 6.091 1.00 23.24 H new ATOM 0 HG1 THR A 2 20.656 -12.332 3.955 1.00 35.55 H new ATOM 0 HG21 THR A 2 20.548 -14.705 4.230 1.00 50.33 H new ATOM 0 HG22 THR A 2 19.920 -15.310 5.782 1.00 50.33 H new ATOM 0 HG23 THR A 2 18.818 -14.541 4.615 1.00 50.33 H new ATOM 32 N PHE A 3 18.119 -14.751 8.014 1.00 23.24 N ATOM 33 CA PHE A 3 18.092 -15.841 8.983 1.00 31.32 C ATOM 34 C PHE A 3 17.966 -17.190 8.280 1.00 32.01 C ATOM 35 O PHE A 3 17.384 -17.288 7.200 1.00 41.12 O ATOM 36 CB PHE A 3 16.931 -15.652 9.963 1.00 42.31 C ATOM 37 CG PHE A 3 17.301 -14.862 11.184 1.00 33.03 C ATOM 38 CD1 PHE A 3 17.954 -15.468 12.247 1.00 42.10 C ATOM 39 CD2 PHE A 3 16.996 -13.513 11.272 1.00 33.44 C ATOM 40 CE1 PHE A 3 18.296 -14.744 13.373 1.00 51.32 C ATOM 41 CE2 PHE A 3 17.335 -12.785 12.396 1.00 24.41 C ATOM 42 CZ PHE A 3 17.986 -13.400 13.449 1.00 72.31 C ATOM 0 H PHE A 3 17.251 -14.628 7.493 1.00 23.24 H new ATOM 0 HA PHE A 3 19.031 -15.826 9.536 1.00 31.32 H new ATOM 0 HB2 PHE A 3 16.111 -15.150 9.450 1.00 42.31 H new ATOM 0 HB3 PHE A 3 16.563 -16.631 10.271 1.00 42.31 H new ATOM 0 HD1 PHE A 3 18.198 -16.519 12.194 1.00 42.10 H new ATOM 0 HD2 PHE A 3 16.488 -13.026 10.453 1.00 33.44 H new ATOM 0 HE1 PHE A 3 18.805 -15.228 14.193 1.00 51.32 H new ATOM 0 HE2 PHE A 3 17.091 -11.734 12.452 1.00 24.41 H new ATOM 0 HZ PHE A 3 18.251 -12.832 14.328 1.00 72.31 H new ATOM 52 N LYS A 4 18.516 -18.227 8.902 1.00 30.13 N ATOM 53 CA LYS A 4 18.465 -19.572 8.340 1.00 25.34 C ATOM 54 C LYS A 4 17.783 -20.539 9.301 1.00 70.05 C ATOM 55 O LYS A 4 17.903 -20.406 10.520 1.00 25.23 O ATOM 56 CB LYS A 4 19.878 -20.065 8.018 1.00 2.25 C ATOM 57 CG LYS A 4 19.948 -20.946 6.783 1.00 51.01 C ATOM 58 CD LYS A 4 21.382 -21.323 6.448 1.00 12.30 C ATOM 59 CE LYS A 4 21.481 -21.972 5.077 1.00 32.32 C ATOM 60 NZ LYS A 4 21.687 -20.963 4.000 1.00 32.44 N1+ ATOM 0 H LYS A 4 19.003 -18.162 9.796 1.00 30.13 H new ATOM 0 HA LYS A 4 17.882 -19.533 7.420 1.00 25.34 H new ATOM 0 HB2 LYS A 4 20.531 -19.204 7.877 1.00 2.25 H new ATOM 0 HB3 LYS A 4 20.263 -20.621 8.873 1.00 2.25 H new ATOM 0 HG2 LYS A 4 19.362 -21.850 6.946 1.00 51.01 H new ATOM 0 HG3 LYS A 4 19.501 -20.424 5.937 1.00 51.01 H new ATOM 0 HD2 LYS A 4 22.010 -20.432 6.476 1.00 12.30 H new ATOM 0 HD3 LYS A 4 21.766 -22.008 7.204 1.00 12.30 H new ATOM 0 HE2 LYS A 4 22.306 -22.684 5.071 1.00 32.32 H new ATOM 0 HE3 LYS A 4 20.571 -22.537 4.876 1.00 32.32 H new ATOM 0 HZ1 LYS A 4 21.749 -21.445 3.080 1.00 32.44 H new ATOM 0 HZ2 LYS A 4 20.887 -20.299 3.989 1.00 32.44 H new ATOM 0 HZ3 LYS A 4 22.569 -20.441 4.178 1.00 32.44 H new ATOM 74 N LEU A 5 17.069 -21.511 8.746 1.00 33.01 N ATOM 75 CA LEU A 5 16.368 -22.503 9.555 1.00 5.52 C ATOM 76 C LEU A 5 16.928 -23.900 9.310 1.00 63.41 C ATOM 77 O LEU A 5 17.071 -24.330 8.166 1.00 54.40 O ATOM 78 CB LEU A 5 14.871 -22.479 9.243 1.00 41.31 C ATOM 79 CG LEU A 5 13.941 -22.910 10.378 1.00 72.33 C ATOM 80 CD1 LEU A 5 12.487 -22.748 9.968 1.00 41.24 C ATOM 81 CD2 LEU A 5 14.227 -24.348 10.785 1.00 71.45 C ATOM 0 H LEU A 5 16.960 -21.634 7.739 1.00 33.01 H new ATOM 0 HA LEU A 5 16.518 -22.251 10.605 1.00 5.52 H new ATOM 0 HB2 LEU A 5 14.599 -21.467 8.942 1.00 41.31 H new ATOM 0 HB3 LEU A 5 14.689 -23.126 8.385 1.00 41.31 H new ATOM 0 HG LEU A 5 14.127 -22.267 11.238 1.00 72.33 H new ATOM 0 HD11 LEU A 5 11.841 -23.060 10.789 1.00 41.24 H new ATOM 0 HD12 LEU A 5 12.291 -21.703 9.728 1.00 41.24 H new ATOM 0 HD13 LEU A 5 12.285 -23.365 9.092 1.00 41.24 H new ATOM 0 HD21 LEU A 5 13.556 -24.638 11.594 1.00 71.45 H new ATOM 0 HD22 LEU A 5 14.070 -25.006 9.930 1.00 71.45 H new ATOM 0 HD23 LEU A 5 15.260 -24.432 11.123 1.00 71.45 H new ATOM 93 N ILE A 6 17.241 -24.606 10.392 1.00 4.33 N ATOM 94 CA ILE A 6 17.782 -25.955 10.295 1.00 33.32 C ATOM 95 C ILE A 6 16.802 -26.983 10.852 1.00 45.43 C ATOM 96 O ILE A 6 16.650 -27.112 12.067 1.00 53.14 O ATOM 97 CB ILE A 6 19.121 -26.081 11.043 1.00 13.12 C ATOM 98 CG1 ILE A 6 20.227 -25.348 10.279 1.00 20.14 C ATOM 99 CG2 ILE A 6 19.484 -27.546 11.237 1.00 23.52 C ATOM 100 CD1 ILE A 6 20.551 -25.972 8.940 1.00 64.22 C ATOM 0 H ILE A 6 17.129 -24.265 11.347 1.00 4.33 H new ATOM 0 HA ILE A 6 17.948 -26.152 9.236 1.00 33.32 H new ATOM 0 HB ILE A 6 19.017 -25.620 12.025 1.00 13.12 H new ATOM 0 HG12 ILE A 6 19.926 -24.312 10.125 1.00 20.14 H new ATOM 0 HG13 ILE A 6 21.129 -25.330 10.890 1.00 20.14 H new ATOM 0 HG21 ILE A 6 20.433 -27.618 11.767 1.00 23.52 H new ATOM 0 HG22 ILE A 6 18.705 -28.040 11.818 1.00 23.52 H new ATOM 0 HG23 ILE A 6 19.574 -28.030 10.265 1.00 23.52 H new ATOM 0 HD11 ILE A 6 21.343 -25.401 8.455 1.00 64.22 H new ATOM 0 HD12 ILE A 6 20.883 -27.000 9.088 1.00 64.22 H new ATOM 0 HD13 ILE A 6 19.661 -25.966 8.311 1.00 64.22 H new ATOM 112 N ILE A 7 16.141 -27.708 9.957 1.00 20.51 N ATOM 113 CA ILE A 7 15.178 -28.726 10.361 1.00 51.32 C ATOM 114 C ILE A 7 15.826 -30.105 10.417 1.00 24.33 C ATOM 115 O ILE A 7 15.839 -30.836 9.429 1.00 22.23 O ATOM 116 CB ILE A 7 13.976 -28.775 9.400 1.00 15.41 C ATOM 117 CG1 ILE A 7 13.389 -27.375 9.209 1.00 1.21 C ATOM 118 CG2 ILE A 7 12.915 -29.731 9.927 1.00 72.24 C ATOM 119 CD1 ILE A 7 12.284 -27.318 8.178 1.00 50.13 C ATOM 0 H ILE A 7 16.254 -27.610 8.948 1.00 20.51 H new ATOM 0 HA ILE A 7 14.827 -28.452 11.356 1.00 51.32 H new ATOM 0 HB ILE A 7 14.319 -29.140 8.432 1.00 15.41 H new ATOM 0 HG12 ILE A 7 13.003 -27.019 10.164 1.00 1.21 H new ATOM 0 HG13 ILE A 7 14.186 -26.693 8.913 1.00 1.21 H new ATOM 0 HG21 ILE A 7 12.072 -29.755 9.237 1.00 72.24 H new ATOM 0 HG22 ILE A 7 13.339 -30.731 10.017 1.00 72.24 H new ATOM 0 HG23 ILE A 7 12.574 -29.392 10.905 1.00 72.24 H new ATOM 0 HD11 ILE A 7 11.916 -26.295 8.096 1.00 50.13 H new ATOM 0 HD12 ILE A 7 12.670 -27.643 7.212 1.00 50.13 H new ATOM 0 HD13 ILE A 7 11.468 -27.974 8.482 1.00 50.13 H new ATOM 131 N ASN A 8 16.364 -30.452 11.583 1.00 64.41 N ATOM 132 CA ASN A 8 17.014 -31.745 11.769 1.00 62.14 C ATOM 133 C ASN A 8 15.982 -32.866 11.850 1.00 34.41 C ATOM 134 O ASN A 8 15.692 -33.380 12.930 1.00 1.43 O ATOM 135 CB ASN A 8 17.869 -31.731 13.038 1.00 1.04 C ATOM 136 CG ASN A 8 18.710 -32.984 13.181 1.00 72.24 C ATOM 137 OD1 ASN A 8 18.487 -33.978 12.489 1.00 2.11 O ATOM 138 ND2 ASN A 8 19.686 -32.942 14.081 1.00 14.42 N ATOM 0 H ASN A 8 16.363 -29.857 12.411 1.00 64.41 H new ATOM 0 HA ASN A 8 17.656 -31.928 10.908 1.00 62.14 H new ATOM 0 HB2 ASN A 8 18.522 -30.858 13.024 1.00 1.04 H new ATOM 0 HB3 ASN A 8 17.221 -31.630 13.909 1.00 1.04 H new ATOM 0 HD21 ASN A 8 20.286 -33.755 14.220 1.00 14.42 H new ATOM 0 HD22 ASN A 8 19.835 -32.097 14.633 1.00 14.42 H new ATOM 145 N GLY A 9 15.429 -33.240 10.701 1.00 25.24 N ATOM 146 CA GLY A 9 14.437 -34.297 10.663 1.00 42.23 C ATOM 147 C GLY A 9 14.994 -35.598 10.119 1.00 54.12 C ATOM 148 O GLY A 9 15.403 -35.669 8.959 1.00 64.31 O ATOM 0 H GLY A 9 15.651 -32.829 9.794 1.00 25.24 H new ATOM 0 HA2 GLY A 9 14.050 -34.464 11.668 1.00 42.23 H new ATOM 0 HA3 GLY A 9 13.596 -33.980 10.046 1.00 42.23 H new ATOM 152 N LYS A 10 15.012 -36.629 10.956 1.00 20.14 N ATOM 153 CA LYS A 10 15.524 -37.933 10.554 1.00 61.12 C ATOM 154 C LYS A 10 14.750 -38.475 9.357 1.00 44.41 C ATOM 155 O LYS A 10 15.272 -39.274 8.576 1.00 51.54 O ATOM 156 CB LYS A 10 15.436 -38.920 11.719 1.00 74.11 C ATOM 157 CG LYS A 10 14.017 -39.163 12.207 1.00 52.15 C ATOM 158 CD LYS A 10 13.609 -40.616 12.031 1.00 52.11 C ATOM 159 CE LYS A 10 12.096 -40.778 12.072 1.00 33.45 C ATOM 160 NZ LYS A 10 11.682 -41.887 12.976 1.00 33.12 N1+ ATOM 0 H LYS A 10 14.677 -36.587 11.919 1.00 20.14 H new ATOM 0 HA LYS A 10 16.568 -37.812 10.266 1.00 61.12 H new ATOM 0 HB2 LYS A 10 15.873 -39.870 11.413 1.00 74.11 H new ATOM 0 HB3 LYS A 10 16.037 -38.545 12.548 1.00 74.11 H new ATOM 0 HG2 LYS A 10 13.941 -38.887 13.259 1.00 52.15 H new ATOM 0 HG3 LYS A 10 13.328 -38.521 11.658 1.00 52.15 H new ATOM 0 HD2 LYS A 10 13.991 -40.990 11.081 1.00 52.11 H new ATOM 0 HD3 LYS A 10 14.062 -41.220 12.817 1.00 52.11 H new ATOM 0 HE2 LYS A 10 11.640 -39.847 12.407 1.00 33.45 H new ATOM 0 HE3 LYS A 10 11.724 -40.971 11.066 1.00 33.45 H new ATOM 0 HZ1 LYS A 10 10.645 -41.965 12.977 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 12.097 -42.780 12.642 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 12.015 -41.691 13.941 1.00 33.12 H new ATOM 174 N THR A 11 13.504 -38.035 9.214 1.00 15.21 N ATOM 175 CA THR A 11 12.659 -38.476 8.110 1.00 62.22 C ATOM 176 C THR A 11 12.385 -37.333 7.139 1.00 61.24 C ATOM 177 O THR A 11 12.244 -37.551 5.935 1.00 32.30 O ATOM 178 CB THR A 11 11.319 -39.035 8.619 1.00 70.54 C ATOM 179 OG1 THR A 11 10.546 -39.531 7.520 1.00 73.10 O ATOM 180 CG2 THR A 11 10.529 -37.965 9.358 1.00 44.40 C ATOM 0 H THR A 11 13.057 -37.373 9.849 1.00 15.21 H new ATOM 0 HA THR A 11 13.201 -39.267 7.592 1.00 62.22 H new ATOM 0 HB THR A 11 11.532 -39.849 9.312 1.00 70.54 H new ATOM 0 HG1 THR A 11 9.695 -39.886 7.852 1.00 73.10 H new ATOM 0 HG21 THR A 11 9.586 -38.385 9.708 1.00 44.40 H new ATOM 0 HG22 THR A 11 11.107 -37.610 10.211 1.00 44.40 H new ATOM 0 HG23 THR A 11 10.327 -37.132 8.685 1.00 44.40 H new ATOM 188 N LEU A 12 12.310 -36.117 7.668 1.00 23.00 N ATOM 189 CA LEU A 12 12.053 -34.940 6.847 1.00 43.11 C ATOM 190 C LEU A 12 13.022 -33.813 7.190 1.00 4.35 C ATOM 191 O LEU A 12 12.783 -33.035 8.114 1.00 72.22 O ATOM 192 CB LEU A 12 10.611 -34.465 7.039 1.00 64.33 C ATOM 193 CG LEU A 12 10.063 -33.530 5.960 1.00 11.33 C ATOM 194 CD1 LEU A 12 9.899 -34.273 4.642 1.00 33.21 C ATOM 195 CD2 LEU A 12 8.738 -32.925 6.401 1.00 70.53 C ATOM 0 H LEU A 12 12.424 -35.921 8.662 1.00 23.00 H new ATOM 0 HA LEU A 12 12.202 -35.216 5.803 1.00 43.11 H new ATOM 0 HB2 LEU A 12 9.965 -35.341 7.094 1.00 64.33 H new ATOM 0 HB3 LEU A 12 10.542 -33.957 8.001 1.00 64.33 H new ATOM 0 HG LEU A 12 10.778 -32.721 5.811 1.00 11.33 H new ATOM 0 HD11 LEU A 12 9.508 -33.592 3.886 1.00 33.21 H new ATOM 0 HD12 LEU A 12 10.866 -34.658 4.318 1.00 33.21 H new ATOM 0 HD13 LEU A 12 9.205 -35.103 4.776 1.00 33.21 H new ATOM 0 HD21 LEU A 12 8.363 -32.262 5.621 1.00 70.53 H new ATOM 0 HD22 LEU A 12 8.016 -33.722 6.579 1.00 70.53 H new ATOM 0 HD23 LEU A 12 8.885 -32.357 7.320 1.00 70.53 H new ATOM 207 N LYS A 13 14.115 -33.732 6.441 1.00 21.15 N ATOM 208 CA LYS A 13 15.119 -32.699 6.663 1.00 13.53 C ATOM 209 C LYS A 13 15.001 -31.591 5.621 1.00 62.51 C ATOM 210 O LYS A 13 14.506 -31.814 4.517 1.00 23.21 O ATOM 211 CB LYS A 13 16.524 -33.306 6.618 1.00 14.43 C ATOM 212 CG LYS A 13 17.526 -32.587 7.505 1.00 1.44 C ATOM 213 CD LYS A 13 18.899 -33.234 7.436 1.00 42.34 C ATOM 214 CE LYS A 13 19.670 -32.775 6.208 1.00 71.21 C ATOM 215 NZ LYS A 13 20.425 -31.517 6.467 1.00 31.45 N1+ ATOM 0 H LYS A 13 14.329 -34.370 5.674 1.00 21.15 H new ATOM 0 HA LYS A 13 14.946 -32.267 7.649 1.00 13.53 H new ATOM 0 HB2 LYS A 13 16.469 -34.352 6.920 1.00 14.43 H new ATOM 0 HB3 LYS A 13 16.885 -33.290 5.590 1.00 14.43 H new ATOM 0 HG2 LYS A 13 17.599 -31.543 7.200 1.00 1.44 H new ATOM 0 HG3 LYS A 13 17.171 -32.594 8.536 1.00 1.44 H new ATOM 0 HD2 LYS A 13 19.464 -32.988 8.335 1.00 42.34 H new ATOM 0 HD3 LYS A 13 18.791 -34.318 7.415 1.00 42.34 H new ATOM 0 HE2 LYS A 13 20.363 -33.558 5.900 1.00 71.21 H new ATOM 0 HE3 LYS A 13 18.977 -32.619 5.381 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 21.370 -31.584 6.038 1.00 31.45 H new ATOM 0 HZ2 LYS A 13 19.913 -30.713 6.052 1.00 31.45 H new ATOM 0 HZ3 LYS A 13 20.520 -31.374 7.493 1.00 31.45 H new ATOM 229 N GLY A 14 15.459 -30.395 5.979 1.00 64.41 N ATOM 230 CA GLY A 14 15.397 -29.271 5.063 1.00 2.42 C ATOM 231 C GLY A 14 15.795 -27.965 5.720 1.00 5.42 C ATOM 232 O GLY A 14 16.080 -27.927 6.917 1.00 43.14 O ATOM 0 H GLY A 14 15.872 -30.185 6.888 1.00 64.41 H new ATOM 0 HA2 GLY A 14 16.053 -29.462 4.214 1.00 2.42 H new ATOM 0 HA3 GLY A 14 14.384 -29.182 4.670 1.00 2.42 H new ATOM 236 N GLU A 15 15.816 -26.892 4.935 1.00 34.54 N ATOM 237 CA GLU A 15 16.186 -25.578 5.450 1.00 71.41 C ATOM 238 C GLU A 15 15.395 -24.478 4.748 1.00 64.34 C ATOM 239 O GLU A 15 14.828 -24.691 3.675 1.00 1.11 O ATOM 240 CB GLU A 15 17.685 -25.338 5.268 1.00 73.45 C ATOM 241 CG GLU A 15 18.555 -26.412 5.903 1.00 42.33 C ATOM 242 CD GLU A 15 18.713 -27.631 5.017 1.00 65.22 C ATOM 243 OE1 GLU A 15 19.063 -28.707 5.549 1.00 13.12 O ATOM 244 OE2 GLU A 15 18.491 -27.513 3.796 1.00 51.34 O1- ATOM 0 H GLU A 15 15.582 -26.906 3.942 1.00 34.54 H new ATOM 0 HA GLU A 15 15.948 -25.552 6.513 1.00 71.41 H new ATOM 0 HB2 GLU A 15 17.909 -25.284 4.203 1.00 73.45 H new ATOM 0 HB3 GLU A 15 17.944 -24.371 5.698 1.00 73.45 H new ATOM 0 HG2 GLU A 15 19.538 -25.996 6.121 1.00 42.33 H new ATOM 0 HG3 GLU A 15 18.118 -26.713 6.855 1.00 42.33 H new ATOM 251 N THR A 16 15.362 -23.297 5.360 1.00 30.23 N ATOM 252 CA THR A 16 14.640 -22.164 4.798 1.00 24.41 C ATOM 253 C THR A 16 15.166 -20.846 5.354 1.00 65.30 C ATOM 254 O THR A 16 15.756 -20.808 6.434 1.00 35.35 O ATOM 255 CB THR A 16 13.130 -22.262 5.081 1.00 23.35 C ATOM 256 OG1 THR A 16 12.456 -21.114 4.553 1.00 41.12 O ATOM 257 CG2 THR A 16 12.866 -22.369 6.575 1.00 10.41 C ATOM 0 H THR A 16 15.828 -23.102 6.246 1.00 30.23 H new ATOM 0 HA THR A 16 14.801 -22.191 3.720 1.00 24.41 H new ATOM 0 HB THR A 16 12.749 -23.160 4.595 1.00 23.35 H new ATOM 0 HG1 THR A 16 11.497 -21.301 4.483 1.00 41.12 H new ATOM 0 HG21 THR A 16 11.792 -22.437 6.751 1.00 10.41 H new ATOM 0 HG22 THR A 16 13.355 -23.260 6.968 1.00 10.41 H new ATOM 0 HG23 THR A 16 13.261 -21.486 7.078 1.00 10.41 H new ATOM 265 N THR A 17 14.948 -19.766 4.611 1.00 54.32 N ATOM 266 CA THR A 17 15.400 -18.446 5.029 1.00 12.31 C ATOM 267 C THR A 17 14.323 -17.393 4.791 1.00 23.20 C ATOM 268 O THR A 17 13.457 -17.560 3.932 1.00 35.13 O ATOM 269 CB THR A 17 16.683 -18.028 4.286 1.00 33.43 C ATOM 270 OG1 THR A 17 16.378 -17.713 2.923 1.00 1.33 O ATOM 271 CG2 THR A 17 17.723 -19.138 4.334 1.00 2.04 C ATOM 0 H THR A 17 14.460 -19.780 3.715 1.00 54.32 H new ATOM 0 HA THR A 17 15.612 -18.510 6.096 1.00 12.31 H new ATOM 0 HB THR A 17 17.092 -17.147 4.780 1.00 33.43 H new ATOM 0 HG1 THR A 17 17.198 -17.446 2.457 1.00 1.33 H new ATOM 0 HG21 THR A 17 18.620 -18.819 3.803 1.00 2.04 H new ATOM 0 HG22 THR A 17 17.974 -19.356 5.372 1.00 2.04 H new ATOM 0 HG23 THR A 17 17.321 -20.034 3.862 1.00 2.04 H new ATOM 279 N THR A 18 14.382 -16.309 5.558 1.00 1.12 N ATOM 280 CA THR A 18 13.410 -15.230 5.429 1.00 0.52 C ATOM 281 C THR A 18 13.985 -13.909 5.931 1.00 45.23 C ATOM 282 O THR A 18 14.394 -13.800 7.086 1.00 15.53 O ATOM 283 CB THR A 18 12.118 -15.541 6.207 1.00 64.43 C ATOM 284 OG1 THR A 18 11.235 -14.415 6.161 1.00 33.34 O ATOM 285 CG2 THR A 18 12.428 -15.889 7.655 1.00 40.51 C ATOM 0 H THR A 18 15.092 -16.155 6.274 1.00 1.12 H new ATOM 0 HA THR A 18 13.175 -15.142 4.368 1.00 0.52 H new ATOM 0 HB THR A 18 11.637 -16.399 5.739 1.00 64.43 H new ATOM 0 HG1 THR A 18 10.415 -14.622 6.657 1.00 33.34 H new ATOM 0 HG21 THR A 18 11.500 -16.105 8.184 1.00 40.51 H new ATOM 0 HG22 THR A 18 13.076 -16.765 7.688 1.00 40.51 H new ATOM 0 HG23 THR A 18 12.930 -15.047 8.132 1.00 40.51 H new ATOM 293 N GLU A 19 14.014 -12.911 5.054 1.00 35.24 N ATOM 294 CA GLU A 19 14.540 -11.598 5.410 1.00 14.34 C ATOM 295 C GLU A 19 13.579 -10.860 6.338 1.00 73.40 C ATOM 296 O GLU A 19 12.454 -10.541 5.958 1.00 13.11 O ATOM 297 CB GLU A 19 14.789 -10.765 4.149 1.00 73.50 C ATOM 298 CG GLU A 19 15.924 -9.764 4.296 1.00 40.15 C ATOM 299 CD GLU A 19 15.487 -8.484 4.981 1.00 11.31 C ATOM 300 OE1 GLU A 19 15.297 -8.507 6.215 1.00 30.40 O ATOM 301 OE2 GLU A 19 15.335 -7.460 4.283 1.00 34.34 O1- ATOM 0 H GLU A 19 13.680 -12.986 4.093 1.00 35.24 H new ATOM 0 HA GLU A 19 15.485 -11.743 5.934 1.00 14.34 H new ATOM 0 HB2 GLU A 19 15.012 -11.435 3.319 1.00 73.50 H new ATOM 0 HB3 GLU A 19 13.875 -10.230 3.890 1.00 73.50 H new ATOM 0 HG2 GLU A 19 16.733 -10.219 4.867 1.00 40.15 H new ATOM 0 HG3 GLU A 19 16.324 -9.526 3.310 1.00 40.15 H new ATOM 308 N ALA A 20 14.035 -10.594 7.559 1.00 74.44 N ATOM 309 CA ALA A 20 13.217 -9.893 8.541 1.00 23.12 C ATOM 310 C ALA A 20 13.997 -8.754 9.192 1.00 54.32 C ATOM 311 O ALA A 20 15.189 -8.580 8.938 1.00 42.41 O ATOM 312 CB ALA A 20 12.717 -10.864 9.600 1.00 33.00 C ATOM 0 H ALA A 20 14.964 -10.853 7.890 1.00 74.44 H new ATOM 0 HA ALA A 20 12.360 -9.463 8.023 1.00 23.12 H new ATOM 0 HB1 ALA A 20 12.108 -10.327 10.327 1.00 33.00 H new ATOM 0 HB2 ALA A 20 12.117 -11.641 9.127 1.00 33.00 H new ATOM 0 HB3 ALA A 20 13.568 -11.320 10.106 1.00 33.00 H new ATOM 318 N VAL A 21 13.316 -7.981 10.030 1.00 3.03 N ATOM 319 CA VAL A 21 13.944 -6.858 10.717 1.00 53.14 C ATOM 320 C VAL A 21 14.535 -7.293 12.054 1.00 3.01 C ATOM 321 O VAL A 21 15.529 -6.735 12.515 1.00 4.54 O ATOM 322 CB VAL A 21 12.941 -5.715 10.959 1.00 33.31 C ATOM 323 CG1 VAL A 21 12.366 -5.219 9.641 1.00 23.31 C ATOM 324 CG2 VAL A 21 11.831 -6.170 11.896 1.00 5.33 C ATOM 0 H VAL A 21 12.329 -8.111 10.250 1.00 3.03 H new ATOM 0 HA VAL A 21 14.743 -6.498 10.069 1.00 53.14 H new ATOM 0 HB VAL A 21 13.469 -4.887 11.432 1.00 33.31 H new ATOM 0 HG11 VAL A 21 11.659 -4.412 9.833 1.00 23.31 H new ATOM 0 HG12 VAL A 21 13.173 -4.852 9.007 1.00 23.31 H new ATOM 0 HG13 VAL A 21 11.853 -6.038 9.137 1.00 23.31 H new ATOM 0 HG21 VAL A 21 11.131 -5.350 12.056 1.00 5.33 H new ATOM 0 HG22 VAL A 21 11.304 -7.015 11.453 1.00 5.33 H new ATOM 0 HG23 VAL A 21 12.262 -6.471 12.851 1.00 5.33 H new ATOM 334 N ASP A 22 13.915 -8.293 12.670 1.00 31.34 N ATOM 335 CA ASP A 22 14.382 -8.804 13.954 1.00 34.11 C ATOM 336 C ASP A 22 14.254 -10.324 14.011 1.00 64.45 C ATOM 337 O ASP A 22 13.709 -10.946 13.101 1.00 24.43 O ATOM 338 CB ASP A 22 13.589 -8.171 15.098 1.00 2.35 C ATOM 339 CG ASP A 22 14.389 -8.095 16.385 1.00 12.32 C ATOM 340 OD1 ASP A 22 13.836 -7.623 17.399 1.00 25.10 O ATOM 341 OD2 ASP A 22 15.565 -8.510 16.375 1.00 2.01 O1- ATOM 0 H ASP A 22 13.089 -8.765 12.302 1.00 31.34 H new ATOM 0 HA ASP A 22 15.434 -8.540 14.062 1.00 34.11 H new ATOM 0 HB2 ASP A 22 13.277 -7.168 14.808 1.00 2.35 H new ATOM 0 HB3 ASP A 22 12.682 -8.750 15.271 1.00 2.35 H new ATOM 346 N ALA A 23 14.762 -10.914 15.088 1.00 45.21 N ATOM 347 CA ALA A 23 14.703 -12.361 15.266 1.00 14.32 C ATOM 348 C ALA A 23 13.268 -12.830 15.475 1.00 51.22 C ATOM 349 O ALA A 23 12.930 -13.975 15.176 1.00 61.02 O ATOM 350 CB ALA A 23 15.576 -12.784 16.438 1.00 11.53 C ATOM 0 H ALA A 23 15.219 -10.413 15.850 1.00 45.21 H new ATOM 0 HA ALA A 23 15.081 -12.830 14.358 1.00 14.32 H new ATOM 0 HB1 ALA A 23 15.523 -13.866 16.560 1.00 11.53 H new ATOM 0 HB2 ALA A 23 16.608 -12.491 16.247 1.00 11.53 H new ATOM 0 HB3 ALA A 23 15.223 -12.299 17.348 1.00 11.53 H new ATOM 356 N ALA A 24 12.428 -11.941 15.992 1.00 24.41 N ATOM 357 CA ALA A 24 11.028 -12.264 16.241 1.00 54.51 C ATOM 358 C ALA A 24 10.198 -12.117 14.971 1.00 3.13 C ATOM 359 O ALA A 24 9.184 -12.794 14.797 1.00 23.22 O ATOM 360 CB ALA A 24 10.470 -11.379 17.345 1.00 61.03 C ATOM 0 H ALA A 24 12.692 -10.990 16.247 1.00 24.41 H new ATOM 0 HA ALA A 24 10.972 -13.304 16.562 1.00 54.51 H new ATOM 0 HB1 ALA A 24 9.424 -11.631 17.520 1.00 61.03 H new ATOM 0 HB2 ALA A 24 11.040 -11.537 18.261 1.00 61.03 H new ATOM 0 HB3 ALA A 24 10.546 -10.333 17.046 1.00 61.03 H new ATOM 366 N THR A 25 10.633 -11.229 14.083 1.00 1.15 N ATOM 367 CA THR A 25 9.928 -10.992 12.830 1.00 53.23 C ATOM 368 C THR A 25 10.055 -12.188 11.892 1.00 30.45 C ATOM 369 O THR A 25 9.088 -12.586 11.246 1.00 63.44 O ATOM 370 CB THR A 25 10.459 -9.735 12.115 1.00 71.03 C ATOM 371 OG1 THR A 25 10.488 -8.628 13.024 1.00 61.13 O ATOM 372 CG2 THR A 25 9.593 -9.388 10.913 1.00 61.04 C ATOM 0 H THR A 25 11.471 -10.662 14.209 1.00 1.15 H new ATOM 0 HA THR A 25 8.878 -10.841 13.082 1.00 53.23 H new ATOM 0 HB THR A 25 11.470 -9.944 11.766 1.00 71.03 H new ATOM 0 HG1 THR A 25 9.800 -7.978 12.770 1.00 61.13 H new ATOM 0 HG21 THR A 25 9.988 -8.497 10.425 1.00 61.04 H new ATOM 0 HG22 THR A 25 9.598 -10.220 10.209 1.00 61.04 H new ATOM 0 HG23 THR A 25 8.572 -9.198 11.243 1.00 61.04 H new ATOM 380 N ALA A 26 11.255 -12.756 11.826 1.00 14.02 N ATOM 381 CA ALA A 26 11.508 -13.907 10.969 1.00 64.04 C ATOM 382 C ALA A 26 10.942 -15.183 11.584 1.00 75.33 C ATOM 383 O ALA A 26 10.391 -16.029 10.882 1.00 62.32 O ATOM 384 CB ALA A 26 13.001 -14.059 10.715 1.00 21.44 C ATOM 0 H ALA A 26 12.066 -12.438 12.356 1.00 14.02 H new ATOM 0 HA ALA A 26 11.004 -13.738 10.017 1.00 64.04 H new ATOM 0 HB1 ALA A 26 13.175 -14.923 10.073 1.00 21.44 H new ATOM 0 HB2 ALA A 26 13.380 -13.162 10.226 1.00 21.44 H new ATOM 0 HB3 ALA A 26 13.519 -14.202 11.664 1.00 21.44 H new ATOM 390 N GLU A 27 11.084 -15.313 12.900 1.00 43.32 N ATOM 391 CA GLU A 27 10.588 -16.487 13.608 1.00 43.14 C ATOM 392 C GLU A 27 9.122 -16.745 13.273 1.00 11.53 C ATOM 393 O GLU A 27 8.696 -17.892 13.135 1.00 74.20 O ATOM 394 CB GLU A 27 10.753 -16.308 15.118 1.00 72.21 C ATOM 395 CG GLU A 27 10.532 -17.585 15.911 1.00 34.42 C ATOM 396 CD GLU A 27 11.029 -17.479 17.339 1.00 24.33 C ATOM 397 OE1 GLU A 27 10.801 -16.424 17.970 1.00 1.45 O ATOM 398 OE2 GLU A 27 11.647 -18.447 17.827 1.00 75.42 O1- ATOM 0 H GLU A 27 11.538 -14.621 13.496 1.00 43.32 H new ATOM 0 HA GLU A 27 11.174 -17.348 13.286 1.00 43.14 H new ATOM 0 HB2 GLU A 27 11.755 -15.932 15.323 1.00 72.21 H new ATOM 0 HB3 GLU A 27 10.051 -15.549 15.464 1.00 72.21 H new ATOM 0 HG2 GLU A 27 9.469 -17.825 15.917 1.00 34.42 H new ATOM 0 HG3 GLU A 27 11.042 -18.410 15.413 1.00 34.42 H new ATOM 405 N LYS A 28 8.352 -15.669 13.145 1.00 10.53 N ATOM 406 CA LYS A 28 6.933 -15.776 12.826 1.00 11.42 C ATOM 407 C LYS A 28 6.719 -16.627 11.579 1.00 42.33 C ATOM 408 O LYS A 28 5.802 -17.447 11.524 1.00 43.53 O ATOM 409 CB LYS A 28 6.331 -14.385 12.617 1.00 1.23 C ATOM 410 CG LYS A 28 5.909 -13.705 13.907 1.00 4.35 C ATOM 411 CD LYS A 28 4.524 -14.149 14.345 1.00 51.12 C ATOM 412 CE LYS A 28 3.958 -13.231 15.418 1.00 54.21 C ATOM 413 NZ LYS A 28 3.292 -12.035 14.831 1.00 52.40 N1+ ATOM 0 H LYS A 28 8.687 -14.712 13.257 1.00 10.53 H new ATOM 0 HA LYS A 28 6.432 -16.260 13.665 1.00 11.42 H new ATOM 0 HB2 LYS A 28 7.060 -13.756 12.106 1.00 1.23 H new ATOM 0 HB3 LYS A 28 5.465 -14.468 11.960 1.00 1.23 H new ATOM 0 HG2 LYS A 28 6.630 -13.933 14.692 1.00 4.35 H new ATOM 0 HG3 LYS A 28 5.919 -12.624 13.769 1.00 4.35 H new ATOM 0 HD2 LYS A 28 3.855 -14.160 13.484 1.00 51.12 H new ATOM 0 HD3 LYS A 28 4.571 -15.169 14.725 1.00 51.12 H new ATOM 0 HE2 LYS A 28 3.242 -13.783 16.027 1.00 54.21 H new ATOM 0 HE3 LYS A 28 4.761 -12.910 16.082 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 2.920 -11.435 15.595 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 3.981 -11.494 14.270 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 2.509 -12.340 14.218 1.00 52.40 H new ATOM 427 N VAL A 29 7.572 -16.430 10.578 1.00 55.33 N ATOM 428 CA VAL A 29 7.475 -17.181 9.333 1.00 74.14 C ATOM 429 C VAL A 29 8.212 -18.511 9.436 1.00 45.15 C ATOM 430 O VAL A 29 7.742 -19.535 8.939 1.00 41.12 O ATOM 431 CB VAL A 29 8.048 -16.380 8.148 1.00 72.33 C ATOM 432 CG1 VAL A 29 7.772 -17.096 6.835 1.00 62.33 C ATOM 433 CG2 VAL A 29 7.471 -14.972 8.129 1.00 32.35 C ATOM 0 H VAL A 29 8.338 -15.757 10.606 1.00 55.33 H new ATOM 0 HA VAL A 29 6.416 -17.368 9.157 1.00 74.14 H new ATOM 0 HB VAL A 29 9.128 -16.304 8.272 1.00 72.33 H new ATOM 0 HG11 VAL A 29 8.184 -16.515 6.010 1.00 62.33 H new ATOM 0 HG12 VAL A 29 8.238 -18.081 6.853 1.00 62.33 H new ATOM 0 HG13 VAL A 29 6.696 -17.206 6.700 1.00 62.33 H new ATOM 0 HG21 VAL A 29 7.886 -14.420 7.286 1.00 32.35 H new ATOM 0 HG22 VAL A 29 6.387 -15.024 8.030 1.00 32.35 H new ATOM 0 HG23 VAL A 29 7.726 -14.462 9.058 1.00 32.35 H new ATOM 443 N LEU A 30 9.372 -18.491 10.084 1.00 22.41 N ATOM 444 CA LEU A 30 10.174 -19.696 10.253 1.00 71.11 C ATOM 445 C LEU A 30 9.369 -20.796 10.936 1.00 21.34 C ATOM 446 O LEU A 30 9.375 -21.947 10.500 1.00 3.24 O ATOM 447 CB LEU A 30 11.430 -19.385 11.072 1.00 44.45 C ATOM 448 CG LEU A 30 12.458 -18.472 10.405 1.00 70.12 C ATOM 449 CD1 LEU A 30 13.615 -18.188 11.350 1.00 63.35 C ATOM 450 CD2 LEU A 30 12.964 -19.094 9.110 1.00 70.44 C ATOM 0 H LEU A 30 9.777 -17.653 10.501 1.00 22.41 H new ATOM 0 HA LEU A 30 10.468 -20.048 9.264 1.00 71.11 H new ATOM 0 HB2 LEU A 30 11.122 -18.926 12.012 1.00 44.45 H new ATOM 0 HB3 LEU A 30 11.919 -20.327 11.322 1.00 44.45 H new ATOM 0 HG LEU A 30 11.973 -17.526 10.165 1.00 70.12 H new ATOM 0 HD11 LEU A 30 14.336 -17.536 10.857 1.00 63.35 H new ATOM 0 HD12 LEU A 30 13.239 -17.699 12.249 1.00 63.35 H new ATOM 0 HD13 LEU A 30 14.100 -19.125 11.623 1.00 63.35 H new ATOM 0 HD21 LEU A 30 13.695 -18.430 8.649 1.00 70.44 H new ATOM 0 HD22 LEU A 30 13.432 -20.055 9.326 1.00 70.44 H new ATOM 0 HD23 LEU A 30 12.128 -19.243 8.427 1.00 70.44 H new ATOM 462 N LYS A 31 8.673 -20.434 12.008 1.00 35.54 N ATOM 463 CA LYS A 31 7.858 -21.389 12.750 1.00 4.33 C ATOM 464 C LYS A 31 6.710 -21.907 11.890 1.00 65.22 C ATOM 465 O LYS A 31 6.289 -23.056 12.028 1.00 4.33 O ATOM 466 CB LYS A 31 7.305 -20.740 14.020 1.00 23.41 C ATOM 467 CG LYS A 31 6.202 -19.730 13.756 1.00 4.34 C ATOM 468 CD LYS A 31 5.639 -19.166 15.052 1.00 42.12 C ATOM 469 CE LYS A 31 6.657 -18.290 15.766 1.00 21.52 C ATOM 470 NZ LYS A 31 6.003 -17.311 16.677 1.00 51.51 N1+ ATOM 0 H LYS A 31 8.657 -19.486 12.383 1.00 35.54 H new ATOM 0 HA LYS A 31 8.491 -22.232 13.026 1.00 4.33 H new ATOM 0 HB2 LYS A 31 6.922 -21.519 14.679 1.00 23.41 H new ATOM 0 HB3 LYS A 31 8.119 -20.246 14.550 1.00 23.41 H new ATOM 0 HG2 LYS A 31 6.591 -18.917 13.143 1.00 4.34 H new ATOM 0 HG3 LYS A 31 5.402 -20.204 13.187 1.00 4.34 H new ATOM 0 HD2 LYS A 31 4.743 -18.584 14.838 1.00 42.12 H new ATOM 0 HD3 LYS A 31 5.339 -19.984 15.706 1.00 42.12 H new ATOM 0 HE2 LYS A 31 7.340 -18.919 16.338 1.00 21.52 H new ATOM 0 HE3 LYS A 31 7.257 -17.756 15.029 1.00 21.52 H new ATOM 0 HZ1 LYS A 31 6.730 -16.733 17.145 1.00 51.51 H new ATOM 0 HZ2 LYS A 31 5.371 -16.694 16.128 1.00 51.51 H new ATOM 0 HZ3 LYS A 31 5.451 -17.821 17.396 1.00 51.51 H new ATOM 484 N GLN A 32 6.209 -21.055 11.003 1.00 0.41 N ATOM 485 CA GLN A 32 5.109 -21.427 10.121 1.00 31.03 C ATOM 486 C GLN A 32 5.588 -22.373 9.023 1.00 72.23 C ATOM 487 O GLN A 32 4.831 -23.215 8.540 1.00 71.20 O ATOM 488 CB GLN A 32 4.482 -20.180 9.497 1.00 14.11 C ATOM 489 CG GLN A 32 3.375 -19.569 10.341 1.00 32.21 C ATOM 490 CD GLN A 32 2.207 -20.514 10.544 1.00 64.43 C ATOM 491 OE1 GLN A 32 1.714 -21.125 9.595 1.00 13.23 O ATOM 492 NE2 GLN A 32 1.757 -20.641 11.788 1.00 2.52 N ATOM 0 H GLN A 32 6.547 -20.101 10.875 1.00 0.41 H new ATOM 0 HA GLN A 32 4.357 -21.942 10.718 1.00 31.03 H new ATOM 0 HB2 GLN A 32 5.260 -19.433 9.337 1.00 14.11 H new ATOM 0 HB3 GLN A 32 4.081 -20.437 8.517 1.00 14.11 H new ATOM 0 HG2 GLN A 32 3.779 -19.283 11.312 1.00 32.21 H new ATOM 0 HG3 GLN A 32 3.020 -18.656 9.862 1.00 32.21 H new ATOM 0 HE21 GLN A 32 2.195 -20.116 12.545 1.00 2.52 H new ATOM 0 HE22 GLN A 32 0.974 -21.264 11.986 1.00 2.52 H new ATOM 501 N TYR A 33 6.851 -22.228 8.636 1.00 71.01 N ATOM 502 CA TYR A 33 7.430 -23.068 7.593 1.00 11.44 C ATOM 503 C TYR A 33 7.539 -24.516 8.058 1.00 52.42 C ATOM 504 O TYR A 33 7.165 -25.441 7.337 1.00 14.22 O ATOM 505 CB TYR A 33 8.812 -22.544 7.198 1.00 65.32 C ATOM 506 CG TYR A 33 9.428 -23.282 6.031 1.00 22.44 C ATOM 507 CD1 TYR A 33 10.148 -24.454 6.228 1.00 13.33 C ATOM 508 CD2 TYR A 33 9.291 -22.808 4.732 1.00 51.13 C ATOM 509 CE1 TYR A 33 10.714 -25.131 5.165 1.00 41.43 C ATOM 510 CE2 TYR A 33 9.852 -23.480 3.663 1.00 13.20 C ATOM 511 CZ TYR A 33 10.562 -24.641 3.885 1.00 71.22 C ATOM 512 OH TYR A 33 11.124 -25.313 2.823 1.00 45.24 O ATOM 0 H TYR A 33 7.492 -21.538 9.028 1.00 71.01 H new ATOM 0 HA TYR A 33 6.771 -23.032 6.725 1.00 11.44 H new ATOM 0 HB2 TYR A 33 8.732 -21.486 6.947 1.00 65.32 H new ATOM 0 HB3 TYR A 33 9.479 -22.618 8.057 1.00 65.32 H new ATOM 0 HD1 TYR A 33 10.267 -24.842 7.229 1.00 13.33 H new ATOM 0 HD2 TYR A 33 8.736 -21.898 4.555 1.00 51.13 H new ATOM 0 HE1 TYR A 33 11.273 -26.039 5.336 1.00 41.43 H new ATOM 0 HE2 TYR A 33 9.735 -23.098 2.660 1.00 13.20 H new ATOM 0 HH TYR A 33 10.923 -24.836 1.991 1.00 45.24 H new ATOM 522 N ALA A 34 8.052 -24.706 9.269 1.00 65.10 N ATOM 523 CA ALA A 34 8.207 -26.042 9.833 1.00 15.14 C ATOM 524 C ALA A 34 6.852 -26.655 10.173 1.00 13.42 C ATOM 525 O ALA A 34 6.540 -27.767 9.749 1.00 52.15 O ATOM 526 CB ALA A 34 9.091 -25.993 11.069 1.00 34.13 C ATOM 0 H ALA A 34 8.368 -23.952 9.879 1.00 65.10 H new ATOM 0 HA ALA A 34 8.684 -26.673 9.083 1.00 15.14 H new ATOM 0 HB1 ALA A 34 9.198 -26.997 11.480 1.00 34.13 H new ATOM 0 HB2 ALA A 34 10.073 -25.605 10.799 1.00 34.13 H new ATOM 0 HB3 ALA A 34 8.636 -25.342 11.816 1.00 34.13 H new ATOM 532 N ASN A 35 6.052 -25.921 10.940 1.00 4.40 N ATOM 533 CA ASN A 35 4.731 -26.394 11.338 1.00 31.34 C ATOM 534 C ASN A 35 3.909 -26.802 10.118 1.00 43.03 C ATOM 535 O ASN A 35 3.154 -27.772 10.162 1.00 20.12 O ATOM 536 CB ASN A 35 3.994 -25.310 12.124 1.00 3.41 C ATOM 537 CG ASN A 35 2.759 -25.842 12.825 1.00 1.54 C ATOM 538 OD1 ASN A 35 2.775 -26.098 14.028 1.00 2.23 O ATOM 539 ND2 ASN A 35 1.678 -26.010 12.070 1.00 14.42 N ATOM 0 H ASN A 35 6.295 -24.997 11.298 1.00 4.40 H new ATOM 0 HA ASN A 35 4.862 -27.269 11.975 1.00 31.34 H new ATOM 0 HB2 ASN A 35 4.669 -24.878 12.862 1.00 3.41 H new ATOM 0 HB3 ASN A 35 3.706 -24.506 11.446 1.00 3.41 H new ATOM 0 HD21 ASN A 35 0.816 -26.364 12.485 1.00 14.42 H new ATOM 0 HD22 ASN A 35 1.710 -25.784 11.076 1.00 14.42 H new ATOM 546 N ASP A 36 4.063 -26.053 9.032 1.00 53.14 N ATOM 547 CA ASP A 36 3.336 -26.335 7.799 1.00 3.55 C ATOM 548 C ASP A 36 3.645 -27.743 7.298 1.00 42.33 C ATOM 549 O ASP A 36 2.836 -28.355 6.601 1.00 4.33 O ATOM 550 CB ASP A 36 3.694 -25.308 6.724 1.00 33.04 C ATOM 551 CG ASP A 36 3.128 -25.671 5.366 1.00 53.01 C ATOM 552 OD1 ASP A 36 1.903 -25.519 5.173 1.00 24.45 O ATOM 553 OD2 ASP A 36 3.909 -26.105 4.495 1.00 4.10 O1- ATOM 0 H ASP A 36 4.685 -25.246 8.980 1.00 53.14 H new ATOM 0 HA ASP A 36 2.269 -26.269 8.011 1.00 3.55 H new ATOM 0 HB2 ASP A 36 3.318 -24.329 7.021 1.00 33.04 H new ATOM 0 HB3 ASP A 36 4.778 -25.225 6.652 1.00 33.04 H new ATOM 558 N ASN A 37 4.820 -28.249 7.656 1.00 42.23 N ATOM 559 CA ASN A 37 5.236 -29.584 7.241 1.00 52.53 C ATOM 560 C ASN A 37 4.981 -30.602 8.348 1.00 42.51 C ATOM 561 O ASN A 37 5.598 -31.666 8.382 1.00 31.02 O ATOM 562 CB ASN A 37 6.719 -29.584 6.864 1.00 15.40 C ATOM 563 CG ASN A 37 6.971 -28.955 5.506 1.00 24.42 C ATOM 564 OD1 ASN A 37 7.265 -29.649 4.534 1.00 60.52 O ATOM 565 ND2 ASN A 37 6.857 -27.635 5.437 1.00 73.23 N ATOM 0 H ASN A 37 5.501 -27.755 8.233 1.00 42.23 H new ATOM 0 HA ASN A 37 4.646 -29.867 6.369 1.00 52.53 H new ATOM 0 HB2 ASN A 37 7.284 -29.042 7.623 1.00 15.40 H new ATOM 0 HB3 ASN A 37 7.090 -30.609 6.861 1.00 15.40 H new ATOM 0 HD21 ASN A 37 7.015 -27.155 4.551 1.00 73.23 H new ATOM 0 HD22 ASN A 37 6.611 -27.100 6.270 1.00 73.23 H new ATOM 572 N GLY A 38 4.066 -30.268 9.253 1.00 51.42 N ATOM 573 CA GLY A 38 3.744 -31.163 10.349 1.00 22.24 C ATOM 574 C GLY A 38 4.945 -31.462 11.225 1.00 34.14 C ATOM 575 O GLY A 38 4.960 -32.458 11.950 1.00 33.12 O ATOM 0 H GLY A 38 3.542 -29.393 9.247 1.00 51.42 H new ATOM 0 HA2 GLY A 38 2.956 -30.719 10.957 1.00 22.24 H new ATOM 0 HA3 GLY A 38 3.349 -32.096 9.948 1.00 22.24 H new ATOM 579 N ILE A 39 5.953 -30.599 11.158 1.00 5.41 N ATOM 580 CA ILE A 39 7.163 -30.776 11.951 1.00 43.12 C ATOM 581 C ILE A 39 6.942 -30.344 13.397 1.00 65.21 C ATOM 582 O ILE A 39 6.407 -29.266 13.658 1.00 75.24 O ATOM 583 CB ILE A 39 8.343 -29.977 11.364 1.00 74.04 C ATOM 584 CG1 ILE A 39 8.613 -30.411 9.922 1.00 32.44 C ATOM 585 CG2 ILE A 39 9.587 -30.163 12.220 1.00 24.24 C ATOM 586 CD1 ILE A 39 9.606 -29.527 9.202 1.00 45.32 C ATOM 0 H ILE A 39 5.956 -29.771 10.563 1.00 5.41 H new ATOM 0 HA ILE A 39 7.404 -31.839 11.924 1.00 43.12 H new ATOM 0 HB ILE A 39 8.081 -28.919 11.363 1.00 74.04 H new ATOM 0 HG12 ILE A 39 8.985 -31.436 9.923 1.00 32.44 H new ATOM 0 HG13 ILE A 39 7.673 -30.413 9.370 1.00 32.44 H new ATOM 0 HG21 ILE A 39 10.412 -29.593 11.792 1.00 24.24 H new ATOM 0 HG22 ILE A 39 9.388 -29.810 13.232 1.00 24.24 H new ATOM 0 HG23 ILE A 39 9.854 -31.219 12.250 1.00 24.24 H new ATOM 0 HD11 ILE A 39 9.749 -29.893 8.185 1.00 45.32 H new ATOM 0 HD12 ILE A 39 9.227 -28.506 9.169 1.00 45.32 H new ATOM 0 HD13 ILE A 39 10.559 -29.544 9.731 1.00 45.32 H new ATOM 598 N ASP A 40 7.355 -31.192 14.331 1.00 61.20 N ATOM 599 CA ASP A 40 7.204 -30.897 15.752 1.00 24.44 C ATOM 600 C ASP A 40 8.406 -31.408 16.543 1.00 75.15 C ATOM 601 O ASP A 40 8.776 -32.576 16.444 1.00 21.14 O ATOM 602 CB ASP A 40 5.919 -31.526 16.291 1.00 21.12 C ATOM 603 CG ASP A 40 5.947 -33.042 16.232 1.00 61.13 C ATOM 604 OD1 ASP A 40 6.284 -33.668 17.259 1.00 32.42 O ATOM 605 OD2 ASP A 40 5.628 -33.597 15.161 1.00 33.42 O1- ATOM 0 H ASP A 40 7.797 -32.089 14.131 1.00 61.20 H new ATOM 0 HA ASP A 40 7.147 -29.815 15.870 1.00 24.44 H new ATOM 0 HB2 ASP A 40 5.767 -31.208 17.323 1.00 21.12 H new ATOM 0 HB3 ASP A 40 5.069 -31.159 15.716 1.00 21.12 H new ATOM 610 N GLY A 41 9.012 -30.521 17.328 1.00 21.24 N ATOM 611 CA GLY A 41 10.164 -30.900 18.123 1.00 13.12 C ATOM 612 C GLY A 41 10.684 -29.757 18.972 1.00 54.42 C ATOM 613 O GLY A 41 9.953 -28.812 19.264 1.00 31.04 O ATOM 0 H GLY A 41 8.725 -29.547 17.427 1.00 21.24 H new ATOM 0 HA2 GLY A 41 9.896 -31.736 18.769 1.00 13.12 H new ATOM 0 HA3 GLY A 41 10.958 -31.249 17.463 1.00 13.12 H new ATOM 617 N GLU A 42 11.949 -29.845 19.369 1.00 64.11 N ATOM 618 CA GLU A 42 12.564 -28.809 20.192 1.00 65.43 C ATOM 619 C GLU A 42 13.218 -27.738 19.322 1.00 12.22 C ATOM 620 O GLU A 42 14.032 -28.044 18.451 1.00 14.12 O ATOM 621 CB GLU A 42 13.604 -29.424 21.131 1.00 1.43 C ATOM 622 CG GLU A 42 14.783 -30.052 20.406 1.00 20.13 C ATOM 623 CD GLU A 42 15.383 -31.217 21.168 1.00 40.20 C ATOM 624 OE1 GLU A 42 16.198 -30.973 22.082 1.00 2.41 O ATOM 625 OE2 GLU A 42 15.037 -32.376 20.850 1.00 21.53 O1- ATOM 0 H GLU A 42 12.568 -30.621 19.135 1.00 64.11 H new ATOM 0 HA GLU A 42 11.780 -28.340 20.786 1.00 65.43 H new ATOM 0 HB2 GLU A 42 13.973 -28.652 21.806 1.00 1.43 H new ATOM 0 HB3 GLU A 42 13.121 -30.183 21.747 1.00 1.43 H new ATOM 0 HG2 GLU A 42 14.460 -30.394 19.423 1.00 20.13 H new ATOM 0 HG3 GLU A 42 15.550 -29.295 20.244 1.00 20.13 H new ATOM 632 N TRP A 43 12.854 -26.485 19.565 1.00 12.33 N ATOM 633 CA TRP A 43 13.405 -25.369 18.803 1.00 44.33 C ATOM 634 C TRP A 43 14.578 -24.734 19.542 1.00 24.52 C ATOM 635 O TRP A 43 14.474 -24.396 20.721 1.00 14.53 O ATOM 636 CB TRP A 43 12.321 -24.321 18.542 1.00 25.15 C ATOM 637 CG TRP A 43 11.368 -24.712 17.454 1.00 35.14 C ATOM 638 CD1 TRP A 43 10.373 -25.645 17.531 1.00 73.03 C ATOM 639 CD2 TRP A 43 11.319 -24.181 16.124 1.00 24.03 C ATOM 640 NE1 TRP A 43 9.710 -25.727 16.331 1.00 43.32 N ATOM 641 CE2 TRP A 43 10.271 -24.838 15.453 1.00 4.35 C ATOM 642 CE3 TRP A 43 12.057 -23.213 15.438 1.00 72.51 C ATOM 643 CZ2 TRP A 43 9.945 -24.558 14.128 1.00 45.31 C ATOM 644 CZ3 TRP A 43 11.734 -22.936 14.124 1.00 3.34 C ATOM 645 CH2 TRP A 43 10.684 -23.607 13.479 1.00 12.41 C ATOM 0 H TRP A 43 12.181 -26.215 20.282 1.00 12.33 H new ATOM 0 HA TRP A 43 13.766 -25.753 17.849 1.00 44.33 H new ATOM 0 HB2 TRP A 43 11.761 -24.151 19.462 1.00 25.15 H new ATOM 0 HB3 TRP A 43 12.795 -23.376 18.278 1.00 25.15 H new ATOM 0 HD1 TRP A 43 10.142 -26.232 18.407 1.00 73.03 H new ATOM 0 HE1 TRP A 43 8.927 -26.349 16.127 1.00 43.32 H new ATOM 0 HE3 TRP A 43 12.866 -22.690 15.927 1.00 72.51 H new ATOM 0 HZ2 TRP A 43 9.137 -25.074 13.630 1.00 45.31 H new ATOM 0 HZ3 TRP A 43 12.299 -22.191 13.584 1.00 3.34 H new ATOM 0 HH2 TRP A 43 10.455 -23.368 12.451 1.00 12.41 H new ATOM 656 N THR A 44 15.695 -24.570 18.839 1.00 34.53 N ATOM 657 CA THR A 44 16.887 -23.975 19.427 1.00 65.03 C ATOM 658 C THR A 44 17.336 -22.750 18.640 1.00 54.41 C ATOM 659 O THR A 44 17.451 -22.794 17.415 1.00 30.31 O ATOM 660 CB THR A 44 18.049 -24.986 19.487 1.00 61.21 C ATOM 661 OG1 THR A 44 18.566 -25.215 18.173 1.00 24.22 O ATOM 662 CG2 THR A 44 17.589 -26.303 20.094 1.00 35.31 C ATOM 0 H THR A 44 15.798 -24.841 17.861 1.00 34.53 H new ATOM 0 HA THR A 44 16.622 -23.675 20.441 1.00 65.03 H new ATOM 0 HB THR A 44 18.834 -24.568 20.118 1.00 61.21 H new ATOM 0 HG1 THR A 44 17.836 -25.481 17.576 1.00 24.22 H new ATOM 0 HG21 THR A 44 18.426 -27.001 20.126 1.00 35.31 H new ATOM 0 HG22 THR A 44 17.223 -26.129 21.106 1.00 35.31 H new ATOM 0 HG23 THR A 44 16.789 -26.724 19.486 1.00 35.31 H new ATOM 670 N TYR A 45 17.590 -21.656 19.351 1.00 42.04 N ATOM 671 CA TYR A 45 18.025 -20.417 18.717 1.00 11.43 C ATOM 672 C TYR A 45 19.420 -20.022 19.193 1.00 51.14 C ATOM 673 O TYR A 45 19.717 -20.066 20.386 1.00 5.30 O ATOM 674 CB TYR A 45 17.035 -19.291 19.018 1.00 44.21 C ATOM 675 CG TYR A 45 16.824 -19.049 20.496 1.00 0.20 C ATOM 676 CD1 TYR A 45 17.646 -18.179 21.202 1.00 21.12 C ATOM 677 CD2 TYR A 45 15.803 -19.692 21.187 1.00 61.13 C ATOM 678 CE1 TYR A 45 17.456 -17.956 22.552 1.00 52.42 C ATOM 679 CE2 TYR A 45 15.606 -19.473 22.536 1.00 11.21 C ATOM 680 CZ TYR A 45 16.436 -18.605 23.216 1.00 74.21 C ATOM 681 OH TYR A 45 16.243 -18.385 24.560 1.00 75.43 O ATOM 0 H TYR A 45 17.502 -21.602 20.366 1.00 42.04 H new ATOM 0 HA TYR A 45 18.061 -20.583 17.640 1.00 11.43 H new ATOM 0 HB2 TYR A 45 17.392 -18.371 18.555 1.00 44.21 H new ATOM 0 HB3 TYR A 45 16.076 -19.528 18.557 1.00 44.21 H new ATOM 0 HD1 TYR A 45 18.446 -17.669 20.687 1.00 21.12 H new ATOM 0 HD2 TYR A 45 15.153 -20.374 20.660 1.00 61.13 H new ATOM 0 HE1 TYR A 45 18.104 -17.276 23.086 1.00 52.42 H new ATOM 0 HE2 TYR A 45 14.806 -19.979 23.057 1.00 11.21 H new ATOM 0 HH TYR A 45 15.483 -18.918 24.873 1.00 75.43 H new ATOM 691 N ASP A 46 20.272 -19.639 18.250 1.00 21.33 N ATOM 692 CA ASP A 46 21.636 -19.235 18.569 1.00 1.32 C ATOM 693 C ASP A 46 21.866 -17.767 18.218 1.00 61.15 C ATOM 694 O ASP A 46 21.557 -17.329 17.110 1.00 72.22 O ATOM 695 CB ASP A 46 22.640 -20.114 17.821 1.00 43.44 C ATOM 696 CG ASP A 46 23.975 -20.204 18.535 1.00 51.23 C ATOM 697 OD1 ASP A 46 24.272 -21.274 19.105 1.00 21.34 O ATOM 698 OD2 ASP A 46 24.724 -19.205 18.521 1.00 62.22 O1- ATOM 0 H ASP A 46 20.042 -19.600 17.257 1.00 21.33 H new ATOM 0 HA ASP A 46 21.783 -19.361 19.642 1.00 1.32 H new ATOM 0 HB2 ASP A 46 22.226 -21.115 17.704 1.00 43.44 H new ATOM 0 HB3 ASP A 46 22.793 -19.713 16.819 1.00 43.44 H new ATOM 703 N ASP A 47 22.406 -17.015 19.169 1.00 41.54 N ATOM 704 CA ASP A 47 22.676 -15.597 18.961 1.00 4.41 C ATOM 705 C ASP A 47 24.078 -15.389 18.400 1.00 62.25 C ATOM 706 O ASP A 47 24.355 -14.377 17.754 1.00 5.11 O ATOM 707 CB ASP A 47 22.520 -14.828 20.275 1.00 71.13 C ATOM 708 CG ASP A 47 22.233 -13.356 20.053 1.00 1.25 C ATOM 709 OD1 ASP A 47 23.195 -12.588 19.848 1.00 61.20 O ATOM 710 OD2 ASP A 47 21.045 -12.972 20.085 1.00 74.15 O1- ATOM 0 H ASP A 47 22.666 -17.363 20.092 1.00 41.54 H new ATOM 0 HA ASP A 47 21.954 -15.217 18.238 1.00 4.41 H new ATOM 0 HB2 ASP A 47 21.711 -15.269 20.857 1.00 71.13 H new ATOM 0 HB3 ASP A 47 23.431 -14.933 20.864 1.00 71.13 H new ATOM 715 N ALA A 48 24.962 -16.350 18.652 1.00 25.10 N ATOM 716 CA ALA A 48 26.335 -16.270 18.170 1.00 40.24 C ATOM 717 C ALA A 48 26.405 -16.527 16.669 1.00 31.42 C ATOM 718 O ALA A 48 27.289 -16.015 15.981 1.00 53.32 O ATOM 719 CB ALA A 48 27.214 -17.261 18.919 1.00 4.21 C ATOM 0 H ALA A 48 24.751 -17.192 19.187 1.00 25.10 H new ATOM 0 HA ALA A 48 26.703 -15.261 18.357 1.00 40.24 H new ATOM 0 HB1 ALA A 48 28.237 -17.191 18.550 1.00 4.21 H new ATOM 0 HB2 ALA A 48 27.196 -17.030 19.984 1.00 4.21 H new ATOM 0 HB3 ALA A 48 26.839 -18.272 18.760 1.00 4.21 H new ATOM 725 N THR A 49 25.470 -17.325 16.164 1.00 12.11 N ATOM 726 CA THR A 49 25.427 -17.651 14.745 1.00 74.11 C ATOM 727 C THR A 49 24.156 -17.117 14.096 1.00 70.20 C ATOM 728 O THR A 49 24.041 -17.074 12.870 1.00 32.42 O ATOM 729 CB THR A 49 25.505 -19.172 14.515 1.00 24.41 C ATOM 730 OG1 THR A 49 24.450 -19.830 15.225 1.00 1.21 O ATOM 731 CG2 THR A 49 26.849 -19.720 14.974 1.00 41.21 C ATOM 0 H THR A 49 24.731 -17.758 16.718 1.00 12.11 H new ATOM 0 HA THR A 49 26.294 -17.176 14.286 1.00 74.11 H new ATOM 0 HB THR A 49 25.397 -19.361 13.447 1.00 24.41 H new ATOM 0 HG1 THR A 49 24.506 -20.796 15.072 1.00 1.21 H new ATOM 0 HG21 THR A 49 26.881 -20.796 14.802 1.00 41.21 H new ATOM 0 HG22 THR A 49 27.649 -19.238 14.412 1.00 41.21 H new ATOM 0 HG23 THR A 49 26.980 -19.519 16.037 1.00 41.21 H new ATOM 739 N LYS A 50 23.200 -16.706 14.924 1.00 21.45 N ATOM 740 CA LYS A 50 21.938 -16.171 14.431 1.00 24.50 C ATOM 741 C LYS A 50 21.222 -17.189 13.548 1.00 44.50 C ATOM 742 O LYS A 50 20.709 -16.851 12.481 1.00 62.24 O ATOM 743 CB LYS A 50 22.178 -14.879 13.646 1.00 43.32 C ATOM 744 CG LYS A 50 22.378 -13.660 14.528 1.00 63.34 C ATOM 745 CD LYS A 50 21.136 -13.357 15.351 1.00 34.24 C ATOM 746 CE LYS A 50 21.145 -11.926 15.865 1.00 43.43 C ATOM 747 NZ LYS A 50 20.217 -11.745 17.017 1.00 51.44 N1+ ATOM 0 H LYS A 50 23.277 -16.734 15.941 1.00 21.45 H new ATOM 0 HA LYS A 50 21.305 -15.954 15.291 1.00 24.50 H new ATOM 0 HB2 LYS A 50 23.056 -15.007 13.012 1.00 43.32 H new ATOM 0 HB3 LYS A 50 21.330 -14.703 12.984 1.00 43.32 H new ATOM 0 HG2 LYS A 50 23.225 -13.826 15.194 1.00 63.34 H new ATOM 0 HG3 LYS A 50 22.624 -12.798 13.908 1.00 63.34 H new ATOM 0 HD2 LYS A 50 20.246 -13.521 14.743 1.00 34.24 H new ATOM 0 HD3 LYS A 50 21.079 -14.047 16.193 1.00 34.24 H new ATOM 0 HE2 LYS A 50 22.157 -11.655 16.167 1.00 43.43 H new ATOM 0 HE3 LYS A 50 20.861 -11.249 15.060 1.00 43.43 H new ATOM 0 HZ1 LYS A 50 20.082 -10.730 17.198 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 19.300 -12.182 16.796 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 20.621 -12.197 17.862 1.00 51.44 H new ATOM 761 N THR A 51 21.192 -18.439 14.000 1.00 11.32 N ATOM 762 CA THR A 51 20.539 -19.507 13.253 1.00 1.22 C ATOM 763 C THR A 51 19.721 -20.403 14.173 1.00 61.11 C ATOM 764 O THR A 51 20.059 -20.582 15.343 1.00 14.31 O ATOM 765 CB THR A 51 21.565 -20.370 12.492 1.00 32.44 C ATOM 766 OG1 THR A 51 22.423 -19.533 11.709 1.00 5.41 O ATOM 767 CG2 THR A 51 20.866 -21.375 11.591 1.00 11.53 C ATOM 0 H THR A 51 21.613 -18.737 14.880 1.00 11.32 H new ATOM 0 HA THR A 51 19.874 -19.028 12.534 1.00 1.22 H new ATOM 0 HB THR A 51 22.160 -20.917 13.223 1.00 32.44 H new ATOM 0 HG1 THR A 51 23.073 -20.088 11.230 1.00 5.41 H new ATOM 0 HG21 THR A 51 21.611 -21.972 11.065 1.00 11.53 H new ATOM 0 HG22 THR A 51 20.237 -22.029 12.195 1.00 11.53 H new ATOM 0 HG23 THR A 51 20.248 -20.845 10.866 1.00 11.53 H new ATOM 775 N PHE A 52 18.643 -20.967 13.639 1.00 30.20 N ATOM 776 CA PHE A 52 17.774 -21.846 14.414 1.00 4.54 C ATOM 777 C PHE A 52 17.975 -23.304 14.008 1.00 30.30 C ATOM 778 O PHE A 52 18.368 -23.597 12.879 1.00 21.14 O ATOM 779 CB PHE A 52 16.310 -21.448 14.224 1.00 12.04 C ATOM 780 CG PHE A 52 16.026 -20.016 14.581 1.00 74.44 C ATOM 781 CD1 PHE A 52 15.914 -19.052 13.593 1.00 35.05 C ATOM 782 CD2 PHE A 52 15.872 -19.636 15.904 1.00 63.21 C ATOM 783 CE1 PHE A 52 15.652 -17.735 13.916 1.00 30.21 C ATOM 784 CE2 PHE A 52 15.609 -18.319 16.234 1.00 0.41 C ATOM 785 CZ PHE A 52 15.502 -17.367 15.240 1.00 61.44 C ATOM 0 H PHE A 52 18.350 -20.831 12.672 1.00 30.20 H new ATOM 0 HA PHE A 52 18.037 -21.741 15.467 1.00 4.54 H new ATOM 0 HB2 PHE A 52 16.028 -21.618 13.185 1.00 12.04 H new ATOM 0 HB3 PHE A 52 15.683 -22.098 14.835 1.00 12.04 H new ATOM 0 HD1 PHE A 52 16.033 -19.334 12.557 1.00 35.05 H new ATOM 0 HD2 PHE A 52 15.958 -20.376 16.686 1.00 63.21 H new ATOM 0 HE1 PHE A 52 15.564 -16.994 13.135 1.00 30.21 H new ATOM 0 HE2 PHE A 52 15.487 -18.035 17.269 1.00 0.41 H new ATOM 0 HZ PHE A 52 15.302 -16.337 15.496 1.00 61.44 H new ATOM 795 N THR A 53 17.701 -24.213 14.938 1.00 0.11 N ATOM 796 CA THR A 53 17.851 -25.639 14.680 1.00 21.01 C ATOM 797 C THR A 53 16.802 -26.448 15.432 1.00 13.54 C ATOM 798 O THR A 53 16.856 -26.570 16.656 1.00 65.33 O ATOM 799 CB THR A 53 19.253 -26.138 15.081 1.00 71.55 C ATOM 800 OG1 THR A 53 20.255 -25.443 14.332 1.00 33.14 O ATOM 801 CG2 THR A 53 19.384 -27.635 14.845 1.00 42.43 C ATOM 0 H THR A 53 17.374 -23.987 15.877 1.00 0.11 H new ATOM 0 HA THR A 53 17.715 -25.782 13.608 1.00 21.01 H new ATOM 0 HB THR A 53 19.393 -25.940 16.144 1.00 71.55 H new ATOM 0 HG1 THR A 53 21.142 -25.766 14.595 1.00 33.14 H new ATOM 0 HG21 THR A 53 20.382 -27.963 15.136 1.00 42.43 H new ATOM 0 HG22 THR A 53 18.640 -28.164 15.441 1.00 42.43 H new ATOM 0 HG23 THR A 53 19.224 -27.852 13.789 1.00 42.43 H new ATOM 809 N VAL A 54 15.846 -27.002 14.692 1.00 41.10 N ATOM 810 CA VAL A 54 14.784 -27.801 15.290 1.00 72.00 C ATOM 811 C VAL A 54 15.147 -29.282 15.296 1.00 45.11 C ATOM 812 O VAL A 54 15.154 -29.936 14.253 1.00 12.34 O ATOM 813 CB VAL A 54 13.451 -27.615 14.540 1.00 0.11 C ATOM 814 CG1 VAL A 54 12.317 -28.300 15.287 1.00 3.22 C ATOM 815 CG2 VAL A 54 13.153 -26.136 14.343 1.00 74.40 C ATOM 0 H VAL A 54 15.786 -26.912 13.678 1.00 41.10 H new ATOM 0 HA VAL A 54 14.667 -27.454 16.317 1.00 72.00 H new ATOM 0 HB VAL A 54 13.539 -28.079 13.558 1.00 0.11 H new ATOM 0 HG11 VAL A 54 11.384 -28.158 14.742 1.00 3.22 H new ATOM 0 HG12 VAL A 54 12.529 -29.366 15.372 1.00 3.22 H new ATOM 0 HG13 VAL A 54 12.225 -27.868 16.284 1.00 3.22 H new ATOM 0 HG21 VAL A 54 12.208 -26.023 13.812 1.00 74.40 H new ATOM 0 HG22 VAL A 54 13.084 -25.646 15.314 1.00 74.40 H new ATOM 0 HG23 VAL A 54 13.953 -25.678 13.762 1.00 74.40 H new ATOM 825 N THR A 55 15.451 -29.806 16.480 1.00 72.33 N ATOM 826 CA THR A 55 15.816 -31.210 16.623 1.00 3.13 C ATOM 827 C THR A 55 14.584 -32.080 16.849 1.00 12.32 C ATOM 828 O THR A 55 14.026 -32.107 17.944 1.00 74.03 O ATOM 829 CB THR A 55 16.798 -31.419 17.790 1.00 4.31 C ATOM 830 OG1 THR A 55 17.771 -30.367 17.805 1.00 72.43 O ATOM 831 CG2 THR A 55 17.499 -32.764 17.676 1.00 14.14 C ATOM 0 H THR A 55 15.452 -29.279 17.353 1.00 72.33 H new ATOM 0 HA THR A 55 16.300 -31.506 15.692 1.00 3.13 H new ATOM 0 HB THR A 55 16.230 -31.403 18.720 1.00 4.31 H new ATOM 0 HG1 THR A 55 18.391 -30.506 18.551 1.00 72.43 H new ATOM 0 HG21 THR A 55 18.187 -32.888 18.512 1.00 14.14 H new ATOM 0 HG22 THR A 55 16.758 -33.563 17.695 1.00 14.14 H new ATOM 0 HG23 THR A 55 18.055 -32.806 16.739 1.00 14.14 H new ATOM 839 N GLU A 56 14.167 -32.789 15.805 1.00 21.23 N ATOM 840 CA GLU A 56 13.000 -33.658 15.890 1.00 55.12 C ATOM 841 C GLU A 56 13.356 -34.980 16.564 1.00 33.02 C ATOM 842 O GLU A 56 12.824 -35.310 17.623 1.00 51.44 O ATOM 843 CB GLU A 56 12.429 -33.922 14.496 1.00 55.30 C ATOM 844 CG GLU A 56 11.450 -32.858 14.028 1.00 43.44 C ATOM 845 CD GLU A 56 12.124 -31.750 13.243 1.00 30.12 C ATOM 846 OE1 GLU A 56 12.074 -31.791 11.996 1.00 71.33 O ATOM 847 OE2 GLU A 56 12.704 -30.843 13.875 1.00 70.21 O1- ATOM 0 H GLU A 56 14.620 -32.779 14.891 1.00 21.23 H new ATOM 0 HA GLU A 56 12.246 -33.153 16.493 1.00 55.12 H new ATOM 0 HB2 GLU A 56 13.250 -33.987 13.782 1.00 55.30 H new ATOM 0 HB3 GLU A 56 11.928 -34.890 14.495 1.00 55.30 H new ATOM 0 HG2 GLU A 56 10.683 -33.323 13.408 1.00 43.44 H new ATOM 0 HG3 GLU A 56 10.944 -32.429 14.893 1.00 43.44 H new TER 854 GLU A 56