USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=17 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 Set 1.1: A 32 GLN :FLIP amide:sc= 0.184 F(o=-1.6,f=-0.062) USER MOD Set 1.2: A 35 ASN : amide:sc= -0.246 K(o=-0.062,f=-1.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.02 (180deg=0.982) 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= -0.364 K(o=-0.36,f=-3.3!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.313 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 -120:sc= 0 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 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0517 F(o=-1.9!,f=-0.052) USER MOD Single : A 44 THR OG1 : rot -71:sc= 1.28 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 0.388 (180deg=-0.0535) USER MOD Single : A 51 THR OG1 : rot 62:sc= 0.0253 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.920 -8.166 7.808 1.00 2.03 N ATOM 2 CA MET A 1 18.934 -9.216 7.836 1.00 34.23 C ATOM 3 C MET A 1 18.362 -10.536 7.332 1.00 73.15 C ATOM 4 O MET A 1 17.146 -10.696 7.218 1.00 63.51 O ATOM 5 CB MET A 1 19.476 -9.389 9.256 1.00 42.53 C ATOM 6 CG MET A 1 20.326 -8.222 9.730 1.00 45.15 C ATOM 7 SD MET A 1 21.378 -8.652 11.130 1.00 3.33 S ATOM 8 CE MET A 1 23.004 -8.480 10.398 1.00 73.52 C ATOM 0 H1 MET A 1 18.306 -7.299 8.234 1.00 2.03 H new ATOM 0 H2 MET A 1 17.645 -7.975 6.823 1.00 2.03 H new ATOM 0 H3 MET A 1 17.086 -8.475 8.347 1.00 2.03 H new ATOM 0 HA MET A 1 19.750 -8.920 7.177 1.00 34.23 H new ATOM 0 HB2 MET A 1 18.639 -9.520 9.942 1.00 42.53 H new ATOM 0 HB3 MET A 1 20.070 -10.302 9.300 1.00 42.53 H new ATOM 0 HG2 MET A 1 20.949 -7.873 8.906 1.00 45.15 H new ATOM 0 HG3 MET A 1 19.675 -7.394 10.010 1.00 45.15 H new ATOM 0 HE1 MET A 1 23.765 -8.714 11.143 1.00 73.52 H new ATOM 0 HE2 MET A 1 23.098 -9.165 9.556 1.00 73.52 H new ATOM 0 HE3 MET A 1 23.140 -7.456 10.050 1.00 73.52 H new ATOM 18 N THR A 2 19.246 -11.482 7.031 1.00 32.33 N ATOM 19 CA THR A 2 18.831 -12.788 6.536 1.00 25.25 C ATOM 20 C THR A 2 18.915 -13.844 7.635 1.00 52.42 C ATOM 21 O THR A 2 19.808 -13.802 8.481 1.00 3.11 O ATOM 22 CB THR A 2 19.693 -13.237 5.342 1.00 23.24 C ATOM 23 OG1 THR A 2 20.042 -12.106 4.536 1.00 35.55 O ATOM 24 CG2 THR A 2 18.950 -14.259 4.493 1.00 50.33 C ATOM 0 H THR A 2 20.255 -11.367 7.122 1.00 32.33 H new ATOM 0 HA THR A 2 17.796 -12.688 6.209 1.00 25.25 H new ATOM 0 HB THR A 2 20.600 -13.700 5.731 1.00 23.24 H new ATOM 0 HG1 THR A 2 20.592 -12.400 3.780 1.00 35.55 H new ATOM 0 HG21 THR A 2 19.578 -14.562 3.655 1.00 50.33 H new ATOM 0 HG22 THR A 2 18.710 -15.132 5.101 1.00 50.33 H new ATOM 0 HG23 THR A 2 18.029 -13.816 4.114 1.00 50.33 H new ATOM 32 N PHE A 3 17.982 -14.789 7.612 1.00 23.24 N ATOM 33 CA PHE A 3 17.950 -15.855 8.606 1.00 31.32 C ATOM 34 C PHE A 3 17.869 -17.223 7.934 1.00 32.01 C ATOM 35 O PHE A 3 17.436 -17.339 6.788 1.00 41.12 O ATOM 36 CB PHE A 3 16.762 -15.667 9.551 1.00 42.31 C ATOM 37 CG PHE A 3 17.097 -14.885 10.789 1.00 33.03 C ATOM 38 CD1 PHE A 3 16.734 -13.553 10.902 1.00 42.10 C ATOM 39 CD2 PHE A 3 17.777 -15.482 11.838 1.00 33.44 C ATOM 40 CE1 PHE A 3 17.041 -12.831 12.040 1.00 51.32 C ATOM 41 CE2 PHE A 3 18.086 -14.766 12.979 1.00 24.41 C ATOM 42 CZ PHE A 3 17.719 -13.437 13.079 1.00 72.31 C ATOM 0 H PHE A 3 17.238 -14.839 6.916 1.00 23.24 H new ATOM 0 HA PHE A 3 18.874 -15.807 9.183 1.00 31.32 H new ATOM 0 HB2 PHE A 3 15.960 -15.159 9.016 1.00 42.31 H new ATOM 0 HB3 PHE A 3 16.381 -16.646 9.842 1.00 42.31 H new ATOM 0 HD1 PHE A 3 16.205 -13.073 10.092 1.00 42.10 H new ATOM 0 HD2 PHE A 3 18.069 -16.519 11.763 1.00 33.44 H new ATOM 0 HE1 PHE A 3 16.751 -11.794 12.116 1.00 51.32 H new ATOM 0 HE2 PHE A 3 18.613 -15.244 13.791 1.00 24.41 H new ATOM 0 HZ PHE A 3 17.962 -12.874 13.968 1.00 72.31 H new ATOM 52 N LYS A 4 18.287 -18.256 8.657 1.00 30.13 N ATOM 53 CA LYS A 4 18.262 -19.617 8.133 1.00 25.34 C ATOM 54 C LYS A 4 17.590 -20.567 9.120 1.00 70.05 C ATOM 55 O LYS A 4 17.729 -20.417 10.335 1.00 25.23 O ATOM 56 CB LYS A 4 19.683 -20.097 7.834 1.00 2.25 C ATOM 57 CG LYS A 4 19.774 -21.012 6.625 1.00 51.01 C ATOM 58 CD LYS A 4 21.166 -21.608 6.479 1.00 12.30 C ATOM 59 CE LYS A 4 21.204 -22.677 5.400 1.00 32.32 C ATOM 60 NZ LYS A 4 21.234 -22.085 4.033 1.00 32.44 N1+ ATOM 0 H LYS A 4 18.647 -18.177 9.608 1.00 30.13 H new ATOM 0 HA LYS A 4 17.685 -19.613 7.208 1.00 25.34 H new ATOM 0 HB2 LYS A 4 20.324 -19.230 7.672 1.00 2.25 H new ATOM 0 HB3 LYS A 4 20.071 -20.622 8.707 1.00 2.25 H new ATOM 0 HG2 LYS A 4 19.042 -21.814 6.719 1.00 51.01 H new ATOM 0 HG3 LYS A 4 19.520 -20.453 5.724 1.00 51.01 H new ATOM 0 HD2 LYS A 4 21.877 -20.819 6.236 1.00 12.30 H new ATOM 0 HD3 LYS A 4 21.480 -22.038 7.430 1.00 12.30 H new ATOM 0 HE2 LYS A 4 22.083 -23.306 5.543 1.00 32.32 H new ATOM 0 HE3 LYS A 4 20.331 -23.322 5.497 1.00 32.32 H new ATOM 0 HZ1 LYS A 4 21.259 -22.847 3.325 1.00 32.44 H new ATOM 0 HZ2 LYS A 4 20.383 -21.505 3.887 1.00 32.44 H new ATOM 0 HZ3 LYS A 4 22.080 -21.489 3.931 1.00 32.44 H new ATOM 74 N LEU A 5 16.864 -21.545 8.591 1.00 33.01 N ATOM 75 CA LEU A 5 16.172 -22.522 9.425 1.00 5.52 C ATOM 76 C LEU A 5 16.743 -23.919 9.215 1.00 63.41 C ATOM 77 O LEU A 5 16.903 -24.371 8.081 1.00 54.40 O ATOM 78 CB LEU A 5 14.674 -22.518 9.113 1.00 41.31 C ATOM 79 CG LEU A 5 13.752 -22.972 10.244 1.00 72.33 C ATOM 80 CD1 LEU A 5 12.294 -22.769 9.859 1.00 41.24 C ATOM 81 CD2 LEU A 5 14.015 -24.428 10.595 1.00 71.45 C ATOM 0 H LEU A 5 16.739 -21.683 7.588 1.00 33.01 H new ATOM 0 HA LEU A 5 16.320 -22.243 10.468 1.00 5.52 H new ATOM 0 HB2 LEU A 5 14.387 -21.508 8.820 1.00 41.31 H new ATOM 0 HB3 LEU A 5 14.501 -23.161 8.250 1.00 41.31 H new ATOM 0 HG LEU A 5 13.962 -22.364 11.124 1.00 72.33 H new ATOM 0 HD11 LEU A 5 11.653 -23.098 10.677 1.00 41.24 H new ATOM 0 HD12 LEU A 5 12.114 -21.713 9.659 1.00 41.24 H new ATOM 0 HD13 LEU A 5 12.069 -23.351 8.965 1.00 41.24 H new ATOM 0 HD21 LEU A 5 13.349 -24.734 11.402 1.00 71.45 H new ATOM 0 HD22 LEU A 5 13.834 -25.052 9.720 1.00 71.45 H new ATOM 0 HD23 LEU A 5 15.050 -24.544 10.915 1.00 71.45 H new ATOM 93 N ILE A 6 17.047 -24.601 10.314 1.00 4.33 N ATOM 94 CA ILE A 6 17.597 -25.948 10.250 1.00 33.32 C ATOM 95 C ILE A 6 16.607 -26.973 10.795 1.00 45.43 C ATOM 96 O ILE A 6 16.420 -27.088 12.006 1.00 53.14 O ATOM 97 CB ILE A 6 18.915 -26.057 11.039 1.00 13.12 C ATOM 98 CG1 ILE A 6 20.039 -25.331 10.296 1.00 20.14 C ATOM 99 CG2 ILE A 6 19.278 -27.516 11.266 1.00 23.52 C ATOM 100 CD1 ILE A 6 20.406 -25.976 8.978 1.00 64.22 C ATOM 0 H ILE A 6 16.921 -24.242 11.260 1.00 4.33 H new ATOM 0 HA ILE A 6 17.793 -26.158 9.199 1.00 33.32 H new ATOM 0 HB ILE A 6 18.781 -25.582 12.011 1.00 13.12 H new ATOM 0 HG12 ILE A 6 19.737 -24.299 10.115 1.00 20.14 H new ATOM 0 HG13 ILE A 6 20.923 -25.297 10.933 1.00 20.14 H new ATOM 0 HG21 ILE A 6 20.212 -27.576 11.825 1.00 23.52 H new ATOM 0 HG22 ILE A 6 18.485 -28.005 11.832 1.00 23.52 H new ATOM 0 HG23 ILE A 6 19.398 -28.015 10.304 1.00 23.52 H new ATOM 0 HD11 ILE A 6 21.209 -25.409 8.506 1.00 64.22 H new ATOM 0 HD12 ILE A 6 20.739 -26.999 9.154 1.00 64.22 H new ATOM 0 HD13 ILE A 6 19.535 -25.986 8.323 1.00 64.22 H new ATOM 112 N ILE A 7 15.975 -27.716 9.891 1.00 20.51 N ATOM 113 CA ILE A 7 15.008 -28.733 10.281 1.00 51.32 C ATOM 114 C ILE A 7 15.666 -30.104 10.395 1.00 24.33 C ATOM 115 O ILE A 7 15.721 -30.858 9.425 1.00 22.23 O ATOM 116 CB ILE A 7 13.843 -28.816 9.277 1.00 15.41 C ATOM 117 CG1 ILE A 7 13.219 -27.435 9.071 1.00 1.21 C ATOM 118 CG2 ILE A 7 12.797 -29.809 9.760 1.00 72.24 C ATOM 119 CD1 ILE A 7 12.099 -27.422 8.055 1.00 50.13 C ATOM 0 H ILE A 7 16.116 -27.632 8.884 1.00 20.51 H new ATOM 0 HA ILE A 7 14.617 -28.439 11.255 1.00 51.32 H new ATOM 0 HB ILE A 7 14.232 -29.164 8.320 1.00 15.41 H new ATOM 0 HG12 ILE A 7 12.837 -27.072 10.025 1.00 1.21 H new ATOM 0 HG13 ILE A 7 13.995 -26.739 8.753 1.00 1.21 H new ATOM 0 HG21 ILE A 7 11.980 -29.856 9.040 1.00 72.24 H new ATOM 0 HG22 ILE A 7 13.250 -30.795 9.860 1.00 72.24 H new ATOM 0 HG23 ILE A 7 12.410 -29.488 10.727 1.00 72.24 H new ATOM 0 HD11 ILE A 7 11.705 -26.410 7.961 1.00 50.13 H new ATOM 0 HD12 ILE A 7 12.480 -27.754 7.089 1.00 50.13 H new ATOM 0 HD13 ILE A 7 11.304 -28.093 8.381 1.00 50.13 H new ATOM 131 N ASN A 8 16.160 -30.421 11.586 1.00 64.41 N ATOM 132 CA ASN A 8 16.813 -31.702 11.826 1.00 62.14 C ATOM 133 C ASN A 8 15.789 -32.829 11.903 1.00 34.41 C ATOM 134 O ASN A 8 15.472 -33.322 12.985 1.00 1.43 O ATOM 135 CB ASN A 8 17.627 -31.649 13.123 1.00 1.04 C ATOM 136 CG ASN A 8 18.516 -32.864 13.297 1.00 72.24 C ATOM 137 OD1 ASN A 8 18.351 -33.872 12.610 1.00 2.11 O ATOM 138 ND2 ASN A 8 19.465 -32.774 14.222 1.00 14.42 N ATOM 0 H ASN A 8 16.121 -29.808 12.401 1.00 64.41 H new ATOM 0 HA ASN A 8 17.484 -31.901 10.990 1.00 62.14 H new ATOM 0 HB2 ASN A 8 18.242 -30.749 13.126 1.00 1.04 H new ATOM 0 HB3 ASN A 8 16.948 -31.574 13.972 1.00 1.04 H new ATOM 0 HD21 ASN A 8 20.094 -33.560 14.386 1.00 14.42 H new ATOM 0 HD22 ASN A 8 19.565 -31.918 14.768 1.00 14.42 H new ATOM 145 N GLY A 9 15.274 -33.233 10.746 1.00 25.24 N ATOM 146 CA GLY A 9 14.290 -34.299 10.704 1.00 42.23 C ATOM 147 C GLY A 9 14.902 -35.638 10.342 1.00 54.12 C ATOM 148 O GLY A 9 15.657 -35.744 9.374 1.00 64.31 O ATOM 0 H GLY A 9 15.521 -32.841 9.837 1.00 25.24 H new ATOM 0 HA2 GLY A 9 13.801 -34.377 11.675 1.00 42.23 H new ATOM 0 HA3 GLY A 9 13.517 -34.048 9.978 1.00 42.23 H new ATOM 152 N LYS A 10 14.578 -36.665 11.120 1.00 20.14 N ATOM 153 CA LYS A 10 15.101 -38.004 10.876 1.00 61.12 C ATOM 154 C LYS A 10 14.422 -38.643 9.669 1.00 44.41 C ATOM 155 O LYS A 10 14.995 -39.509 9.007 1.00 51.54 O ATOM 156 CB LYS A 10 14.899 -38.885 12.113 1.00 74.11 C ATOM 157 CG LYS A 10 13.438 -39.126 12.456 1.00 52.15 C ATOM 158 CD LYS A 10 12.902 -40.368 11.766 1.00 52.11 C ATOM 159 CE LYS A 10 11.807 -41.032 12.588 1.00 33.45 C ATOM 160 NZ LYS A 10 11.203 -42.190 11.872 1.00 33.12 N1+ ATOM 0 H LYS A 10 13.956 -36.596 11.925 1.00 20.14 H new ATOM 0 HA LYS A 10 16.167 -37.918 10.667 1.00 61.12 H new ATOM 0 HB2 LYS A 10 15.388 -39.845 11.949 1.00 74.11 H new ATOM 0 HB3 LYS A 10 15.392 -38.418 12.966 1.00 74.11 H new ATOM 0 HG2 LYS A 10 13.329 -39.233 13.535 1.00 52.15 H new ATOM 0 HG3 LYS A 10 12.846 -38.260 12.160 1.00 52.15 H new ATOM 0 HD2 LYS A 10 12.510 -40.100 10.785 1.00 52.11 H new ATOM 0 HD3 LYS A 10 13.716 -41.075 11.603 1.00 52.11 H new ATOM 0 HE2 LYS A 10 12.220 -41.368 13.539 1.00 33.45 H new ATOM 0 HE3 LYS A 10 11.031 -40.302 12.817 1.00 33.45 H new ATOM 0 HZ1 LYS A 10 10.461 -42.616 12.464 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 10.787 -41.865 10.976 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 11.938 -42.899 11.675 1.00 33.12 H new ATOM 174 N THR A 11 13.198 -38.209 9.385 1.00 15.21 N ATOM 175 CA THR A 11 12.441 -38.738 8.257 1.00 62.22 C ATOM 176 C THR A 11 12.419 -37.748 7.098 1.00 61.24 C ATOM 177 O THR A 11 12.283 -38.137 5.939 1.00 32.30 O ATOM 178 CB THR A 11 10.993 -39.072 8.660 1.00 70.54 C ATOM 179 OG1 THR A 11 10.308 -39.685 7.562 1.00 73.10 O ATOM 180 CG2 THR A 11 10.247 -37.819 9.092 1.00 44.40 C ATOM 0 H THR A 11 12.709 -37.492 9.921 1.00 15.21 H new ATOM 0 HA THR A 11 12.942 -39.653 7.940 1.00 62.22 H new ATOM 0 HB THR A 11 11.025 -39.764 9.501 1.00 70.54 H new ATOM 0 HG1 THR A 11 9.388 -39.896 7.827 1.00 73.10 H new ATOM 0 HG21 THR A 11 9.227 -38.081 9.372 1.00 44.40 H new ATOM 0 HG22 THR A 11 10.754 -37.370 9.947 1.00 44.40 H new ATOM 0 HG23 THR A 11 10.225 -37.106 8.268 1.00 44.40 H new ATOM 188 N LEU A 12 12.553 -36.465 7.420 1.00 23.00 N ATOM 189 CA LEU A 12 12.548 -35.418 6.404 1.00 43.11 C ATOM 190 C LEU A 12 13.330 -34.197 6.878 1.00 4.35 C ATOM 191 O LEU A 12 12.926 -33.513 7.818 1.00 72.22 O ATOM 192 CB LEU A 12 11.112 -35.018 6.061 1.00 64.33 C ATOM 193 CG LEU A 12 10.881 -34.493 4.644 1.00 11.33 C ATOM 194 CD1 LEU A 12 9.406 -34.205 4.415 1.00 33.21 C ATOM 195 CD2 LEU A 12 11.716 -33.244 4.395 1.00 70.53 C ATOM 0 H LEU A 12 12.666 -36.126 8.375 1.00 23.00 H new ATOM 0 HA LEU A 12 13.031 -35.811 5.510 1.00 43.11 H new ATOM 0 HB2 LEU A 12 10.468 -35.884 6.215 1.00 64.33 H new ATOM 0 HB3 LEU A 12 10.791 -34.252 6.767 1.00 64.33 H new ATOM 0 HG LEU A 12 11.193 -35.262 3.937 1.00 11.33 H new ATOM 0 HD11 LEU A 12 9.261 -33.832 3.401 1.00 33.21 H new ATOM 0 HD12 LEU A 12 8.831 -35.121 4.550 1.00 33.21 H new ATOM 0 HD13 LEU A 12 9.067 -33.455 5.129 1.00 33.21 H new ATOM 0 HD21 LEU A 12 11.539 -32.884 3.381 1.00 70.53 H new ATOM 0 HD22 LEU A 12 11.435 -32.470 5.109 1.00 70.53 H new ATOM 0 HD23 LEU A 12 12.773 -33.483 4.516 1.00 70.53 H new ATOM 207 N LYS A 13 14.452 -33.926 6.217 1.00 21.15 N ATOM 208 CA LYS A 13 15.289 -32.785 6.568 1.00 13.53 C ATOM 209 C LYS A 13 15.214 -31.705 5.494 1.00 62.51 C ATOM 210 O LYS A 13 14.946 -31.993 4.329 1.00 23.21 O ATOM 211 CB LYS A 13 16.740 -33.232 6.758 1.00 14.43 C ATOM 212 CG LYS A 13 17.532 -32.340 7.698 1.00 1.44 C ATOM 213 CD LYS A 13 19.030 -32.515 7.503 1.00 42.34 C ATOM 214 CE LYS A 13 19.543 -31.678 6.342 1.00 71.21 C ATOM 215 NZ LYS A 13 20.994 -31.370 6.477 1.00 31.45 N1+ ATOM 0 H LYS A 13 14.802 -34.481 5.436 1.00 21.15 H new ATOM 0 HA LYS A 13 14.918 -32.367 7.504 1.00 13.53 H new ATOM 0 HB2 LYS A 13 16.750 -34.252 7.143 1.00 14.43 H new ATOM 0 HB3 LYS A 13 17.235 -33.253 5.787 1.00 14.43 H new ATOM 0 HG2 LYS A 13 17.261 -31.298 7.527 1.00 1.44 H new ATOM 0 HG3 LYS A 13 17.269 -32.573 8.730 1.00 1.44 H new ATOM 0 HD2 LYS A 13 19.552 -32.231 8.416 1.00 42.34 H new ATOM 0 HD3 LYS A 13 19.254 -33.566 7.322 1.00 42.34 H new ATOM 0 HE2 LYS A 13 19.371 -32.210 5.407 1.00 71.21 H new ATOM 0 HE3 LYS A 13 18.978 -30.747 6.288 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 21.304 -30.798 5.666 1.00 31.45 H new ATOM 0 HZ2 LYS A 13 21.156 -30.840 7.357 1.00 31.45 H new ATOM 0 HZ3 LYS A 13 21.536 -32.257 6.503 1.00 31.45 H new ATOM 229 N GLY A 14 15.454 -30.460 5.895 1.00 64.41 N ATOM 230 CA GLY A 14 15.410 -29.357 4.953 1.00 2.42 C ATOM 231 C GLY A 14 15.862 -28.049 5.572 1.00 5.42 C ATOM 232 O GLY A 14 16.331 -28.022 6.710 1.00 43.14 O ATOM 0 H GLY A 14 15.678 -30.196 6.854 1.00 64.41 H new ATOM 0 HA2 GLY A 14 16.044 -29.589 4.097 1.00 2.42 H new ATOM 0 HA3 GLY A 14 14.393 -29.245 4.576 1.00 2.42 H new ATOM 236 N GLU A 15 15.721 -26.961 4.822 1.00 34.54 N ATOM 237 CA GLU A 15 16.119 -25.643 5.305 1.00 71.41 C ATOM 238 C GLU A 15 15.334 -24.544 4.597 1.00 64.34 C ATOM 239 O GLU A 15 14.741 -24.769 3.541 1.00 1.11 O ATOM 240 CB GLU A 15 17.620 -25.431 5.093 1.00 73.45 C ATOM 241 CG GLU A 15 18.046 -25.517 3.637 1.00 42.33 C ATOM 242 CD GLU A 15 17.783 -24.232 2.875 1.00 65.22 C ATOM 243 OE1 GLU A 15 17.432 -24.313 1.679 1.00 13.12 O ATOM 244 OE2 GLU A 15 17.929 -23.146 3.473 1.00 51.34 O1- ATOM 0 H GLU A 15 15.334 -26.965 3.878 1.00 34.54 H new ATOM 0 HA GLU A 15 15.899 -25.593 6.371 1.00 71.41 H new ATOM 0 HB2 GLU A 15 17.900 -24.454 5.488 1.00 73.45 H new ATOM 0 HB3 GLU A 15 18.169 -26.177 5.668 1.00 73.45 H new ATOM 0 HG2 GLU A 15 19.109 -25.754 3.587 1.00 42.33 H new ATOM 0 HG3 GLU A 15 17.514 -26.337 3.154 1.00 42.33 H new ATOM 251 N THR A 16 15.333 -23.352 5.185 1.00 30.23 N ATOM 252 CA THR A 16 14.618 -22.217 4.614 1.00 24.41 C ATOM 253 C THR A 16 15.192 -20.897 5.115 1.00 65.30 C ATOM 254 O THR A 16 15.946 -20.865 6.089 1.00 35.35 O ATOM 255 CB THR A 16 13.116 -22.271 4.948 1.00 23.35 C ATOM 256 OG1 THR A 16 12.439 -21.162 4.346 1.00 41.12 O ATOM 257 CG2 THR A 16 12.896 -22.249 6.453 1.00 10.41 C ATOM 0 H THR A 16 15.820 -23.147 6.058 1.00 30.23 H new ATOM 0 HA THR A 16 14.743 -22.278 3.533 1.00 24.41 H new ATOM 0 HB THR A 16 12.711 -23.202 4.550 1.00 23.35 H new ATOM 0 HG1 THR A 16 11.484 -21.205 4.562 1.00 41.12 H new ATOM 0 HG21 THR A 16 11.828 -22.288 6.665 1.00 10.41 H new ATOM 0 HG22 THR A 16 13.387 -23.111 6.905 1.00 10.41 H new ATOM 0 HG23 THR A 16 13.315 -21.333 6.869 1.00 10.41 H new ATOM 265 N THR A 17 14.830 -19.806 4.447 1.00 54.32 N ATOM 266 CA THR A 17 15.310 -18.483 4.824 1.00 12.31 C ATOM 267 C THR A 17 14.224 -17.429 4.633 1.00 23.20 C ATOM 268 O THR A 17 13.263 -17.641 3.894 1.00 35.13 O ATOM 269 CB THR A 17 16.552 -18.079 4.006 1.00 33.43 C ATOM 270 OG1 THR A 17 16.180 -17.830 2.645 1.00 1.33 O ATOM 271 CG2 THR A 17 17.610 -19.170 4.055 1.00 2.04 C ATOM 0 H THR A 17 14.205 -19.813 3.641 1.00 54.32 H new ATOM 0 HA THR A 17 15.581 -18.535 5.878 1.00 12.31 H new ATOM 0 HB THR A 17 16.969 -17.171 4.442 1.00 33.43 H new ATOM 0 HG1 THR A 17 16.973 -17.572 2.131 1.00 1.33 H new ATOM 0 HG21 THR A 17 18.477 -18.862 3.471 1.00 2.04 H new ATOM 0 HG22 THR A 17 17.911 -19.339 5.089 1.00 2.04 H new ATOM 0 HG23 THR A 17 17.202 -20.092 3.641 1.00 2.04 H new ATOM 279 N THR A 18 14.384 -16.294 5.304 1.00 1.12 N ATOM 280 CA THR A 18 13.418 -15.207 5.209 1.00 0.52 C ATOM 281 C THR A 18 13.985 -13.914 5.785 1.00 45.23 C ATOM 282 O THR A 18 14.431 -13.879 6.930 1.00 15.53 O ATOM 283 CB THR A 18 12.109 -15.554 5.945 1.00 64.43 C ATOM 284 OG1 THR A 18 11.272 -14.394 6.027 1.00 33.34 O ATOM 285 CG2 THR A 18 12.397 -16.077 7.342 1.00 40.51 C ATOM 0 H THR A 18 15.174 -16.103 5.920 1.00 1.12 H new ATOM 0 HA THR A 18 13.205 -15.065 4.150 1.00 0.52 H new ATOM 0 HB THR A 18 11.596 -16.333 5.382 1.00 64.43 H new ATOM 0 HG1 THR A 18 10.441 -14.622 6.494 1.00 33.34 H new ATOM 0 HG21 THR A 18 11.458 -16.315 7.842 1.00 40.51 H new ATOM 0 HG22 THR A 18 13.010 -16.975 7.275 1.00 40.51 H new ATOM 0 HG23 THR A 18 12.929 -15.316 7.913 1.00 40.51 H new ATOM 293 N GLU A 19 13.961 -12.854 4.983 1.00 35.24 N ATOM 294 CA GLU A 19 14.475 -11.560 5.415 1.00 14.34 C ATOM 295 C GLU A 19 13.565 -10.940 6.472 1.00 73.40 C ATOM 296 O GLU A 19 12.352 -10.845 6.284 1.00 13.11 O ATOM 297 CB GLU A 19 14.604 -10.613 4.220 1.00 73.50 C ATOM 298 CG GLU A 19 15.923 -10.749 3.477 1.00 40.15 C ATOM 299 CD GLU A 19 15.888 -10.106 2.105 1.00 11.31 C ATOM 300 OE1 GLU A 19 16.827 -10.343 1.315 1.00 30.40 O ATOM 301 OE2 GLU A 19 14.924 -9.365 1.819 1.00 34.34 O1- ATOM 0 H GLU A 19 13.592 -12.866 4.032 1.00 35.24 H new ATOM 0 HA GLU A 19 15.460 -11.717 5.854 1.00 14.34 H new ATOM 0 HB2 GLU A 19 13.785 -10.802 3.527 1.00 73.50 H new ATOM 0 HB3 GLU A 19 14.496 -9.586 4.568 1.00 73.50 H new ATOM 0 HG2 GLU A 19 16.717 -10.293 4.068 1.00 40.15 H new ATOM 0 HG3 GLU A 19 16.170 -11.806 3.373 1.00 40.15 H new ATOM 308 N ALA A 20 14.159 -10.521 7.584 1.00 74.44 N ATOM 309 CA ALA A 20 13.405 -9.909 8.670 1.00 23.12 C ATOM 310 C ALA A 20 14.214 -8.809 9.351 1.00 54.32 C ATOM 311 O ALA A 20 15.406 -8.648 9.085 1.00 42.41 O ATOM 312 CB ALA A 20 12.988 -10.964 9.683 1.00 33.00 C ATOM 0 H ALA A 20 15.162 -10.594 7.756 1.00 74.44 H new ATOM 0 HA ALA A 20 12.510 -9.454 8.245 1.00 23.12 H new ATOM 0 HB1 ALA A 20 12.425 -10.492 10.489 1.00 33.00 H new ATOM 0 HB2 ALA A 20 12.364 -11.712 9.194 1.00 33.00 H new ATOM 0 HB3 ALA A 20 13.876 -11.445 10.094 1.00 33.00 H new ATOM 318 N VAL A 21 13.560 -8.056 10.228 1.00 3.03 N ATOM 319 CA VAL A 21 14.220 -6.973 10.947 1.00 53.14 C ATOM 320 C VAL A 21 14.799 -7.464 12.269 1.00 3.01 C ATOM 321 O VAL A 21 15.816 -6.954 12.740 1.00 4.54 O ATOM 322 CB VAL A 21 13.247 -5.811 11.227 1.00 33.31 C ATOM 323 CG1 VAL A 21 12.803 -5.163 9.924 1.00 23.31 C ATOM 324 CG2 VAL A 21 12.048 -6.300 12.026 1.00 5.33 C ATOM 0 H VAL A 21 12.574 -8.176 10.458 1.00 3.03 H new ATOM 0 HA VAL A 21 15.028 -6.616 10.309 1.00 53.14 H new ATOM 0 HB VAL A 21 13.766 -5.059 11.821 1.00 33.31 H new ATOM 0 HG11 VAL A 21 12.116 -4.345 10.140 1.00 23.31 H new ATOM 0 HG12 VAL A 21 13.674 -4.776 9.395 1.00 23.31 H new ATOM 0 HG13 VAL A 21 12.300 -5.904 9.302 1.00 23.31 H new ATOM 0 HG21 VAL A 21 11.372 -5.466 12.214 1.00 5.33 H new ATOM 0 HG22 VAL A 21 11.524 -7.071 11.461 1.00 5.33 H new ATOM 0 HG23 VAL A 21 12.388 -6.713 12.976 1.00 5.33 H new ATOM 334 N ASP A 22 14.147 -8.456 12.863 1.00 31.34 N ATOM 335 CA ASP A 22 14.598 -9.018 14.130 1.00 34.11 C ATOM 336 C ASP A 22 14.400 -10.531 14.157 1.00 64.45 C ATOM 337 O ASP A 22 13.639 -11.080 13.359 1.00 24.43 O ATOM 338 CB ASP A 22 13.847 -8.373 15.295 1.00 2.35 C ATOM 339 CG ASP A 22 14.477 -7.067 15.739 1.00 12.32 C ATOM 340 OD1 ASP A 22 15.471 -7.115 16.495 1.00 25.10 O ATOM 341 OD2 ASP A 22 13.979 -5.999 15.329 1.00 2.01 O1- ATOM 0 H ASP A 22 13.303 -8.888 12.487 1.00 31.34 H new ATOM 0 HA ASP A 22 15.663 -8.808 14.232 1.00 34.11 H new ATOM 0 HB2 ASP A 22 12.813 -8.193 15.001 1.00 2.35 H new ATOM 0 HB3 ASP A 22 13.823 -9.066 16.136 1.00 2.35 H new ATOM 346 N ALA A 23 15.089 -11.197 15.075 1.00 45.21 N ATOM 347 CA ALA A 23 14.988 -12.646 15.206 1.00 14.32 C ATOM 348 C ALA A 23 13.541 -13.077 15.423 1.00 51.22 C ATOM 349 O ALA A 23 13.114 -14.122 14.932 1.00 61.02 O ATOM 350 CB ALA A 23 15.864 -13.136 16.348 1.00 11.53 C ATOM 0 H ALA A 23 15.724 -10.757 15.741 1.00 45.21 H new ATOM 0 HA ALA A 23 15.339 -13.095 14.277 1.00 14.32 H new ATOM 0 HB1 ALA A 23 15.778 -14.219 16.433 1.00 11.53 H new ATOM 0 HB2 ALA A 23 16.902 -12.869 16.151 1.00 11.53 H new ATOM 0 HB3 ALA A 23 15.541 -12.672 17.280 1.00 11.53 H new ATOM 356 N ALA A 24 12.791 -12.267 16.164 1.00 24.41 N ATOM 357 CA ALA A 24 11.394 -12.565 16.444 1.00 54.51 C ATOM 358 C ALA A 24 10.530 -12.372 15.203 1.00 3.13 C ATOM 359 O ALA A 24 9.493 -13.019 15.047 1.00 23.22 O ATOM 360 CB ALA A 24 10.886 -11.691 17.584 1.00 61.03 C ATOM 0 H ALA A 24 13.129 -11.399 16.581 1.00 24.41 H new ATOM 0 HA ALA A 24 11.325 -13.611 16.743 1.00 54.51 H new ATOM 0 HB1 ALA A 24 9.840 -11.924 17.783 1.00 61.03 H new ATOM 0 HB2 ALA A 24 11.477 -11.882 18.480 1.00 61.03 H new ATOM 0 HB3 ALA A 24 10.977 -10.641 17.306 1.00 61.03 H new ATOM 366 N THR A 25 10.963 -11.477 14.320 1.00 1.15 N ATOM 367 CA THR A 25 10.229 -11.197 13.093 1.00 53.23 C ATOM 368 C THR A 25 10.297 -12.378 12.129 1.00 30.45 C ATOM 369 O THR A 25 9.287 -12.784 11.558 1.00 63.44 O ATOM 370 CB THR A 25 10.774 -9.941 12.386 1.00 71.03 C ATOM 371 OG1 THR A 25 10.741 -8.824 13.282 1.00 61.13 O ATOM 372 CG2 THR A 25 9.957 -9.623 11.142 1.00 61.04 C ATOM 0 H THR A 25 11.819 -10.934 14.433 1.00 1.15 H new ATOM 0 HA THR A 25 9.192 -11.023 13.379 1.00 53.23 H new ATOM 0 HB THR A 25 11.803 -10.137 12.085 1.00 71.03 H new ATOM 0 HG1 THR A 25 10.174 -8.119 12.905 1.00 61.13 H new ATOM 0 HG21 THR A 25 10.360 -8.733 10.660 1.00 61.04 H new ATOM 0 HG22 THR A 25 10.005 -10.464 10.450 1.00 61.04 H new ATOM 0 HG23 THR A 25 8.919 -9.444 11.424 1.00 61.04 H new ATOM 380 N ALA A 26 11.498 -12.924 11.955 1.00 14.02 N ATOM 381 CA ALA A 26 11.696 -14.059 11.064 1.00 64.04 C ATOM 382 C ALA A 26 11.239 -15.358 11.718 1.00 75.33 C ATOM 383 O ALA A 26 10.609 -16.198 11.076 1.00 62.32 O ATOM 384 CB ALA A 26 13.159 -14.159 10.655 1.00 21.44 C ATOM 0 H ALA A 26 12.346 -12.598 12.419 1.00 14.02 H new ATOM 0 HA ALA A 26 11.090 -13.899 10.173 1.00 64.04 H new ATOM 0 HB1 ALA A 26 13.293 -15.011 9.989 1.00 21.44 H new ATOM 0 HB2 ALA A 26 13.456 -13.246 10.140 1.00 21.44 H new ATOM 0 HB3 ALA A 26 13.777 -14.292 11.543 1.00 21.44 H new ATOM 390 N GLU A 27 11.559 -15.515 12.998 1.00 43.32 N ATOM 391 CA GLU A 27 11.181 -16.715 13.738 1.00 43.14 C ATOM 392 C GLU A 27 9.687 -16.992 13.597 1.00 11.53 C ATOM 393 O GLU A 27 9.252 -18.143 13.630 1.00 74.20 O ATOM 394 CB GLU A 27 11.547 -16.565 15.216 1.00 72.21 C ATOM 395 CG GLU A 27 11.251 -17.804 16.045 1.00 34.42 C ATOM 396 CD GLU A 27 11.488 -17.584 17.526 1.00 24.33 C ATOM 397 OE1 GLU A 27 11.966 -16.491 17.895 1.00 1.45 O ATOM 398 OE2 GLU A 27 11.193 -18.505 18.317 1.00 75.42 O1- ATOM 0 H GLU A 27 12.078 -14.828 13.544 1.00 43.32 H new ATOM 0 HA GLU A 27 11.730 -17.558 13.319 1.00 43.14 H new ATOM 0 HB2 GLU A 27 12.608 -16.329 15.297 1.00 72.21 H new ATOM 0 HB3 GLU A 27 11.000 -15.720 15.633 1.00 72.21 H new ATOM 0 HG2 GLU A 27 10.215 -18.103 15.887 1.00 34.42 H new ATOM 0 HG3 GLU A 27 11.877 -18.627 15.699 1.00 34.42 H new ATOM 405 N LYS A 28 8.906 -15.927 13.443 1.00 10.53 N ATOM 406 CA LYS A 28 7.461 -16.055 13.297 1.00 11.42 C ATOM 407 C LYS A 28 7.107 -16.830 12.033 1.00 42.33 C ATOM 408 O LYS A 28 6.259 -17.721 12.056 1.00 43.53 O ATOM 409 CB LYS A 28 6.809 -14.670 13.259 1.00 1.23 C ATOM 410 CG LYS A 28 5.310 -14.697 13.509 1.00 4.35 C ATOM 411 CD LYS A 28 4.610 -13.538 12.818 1.00 51.12 C ATOM 412 CE LYS A 28 3.110 -13.776 12.713 1.00 54.21 C ATOM 413 NZ LYS A 28 2.435 -13.646 14.033 1.00 52.40 N1+ ATOM 0 H LYS A 28 9.250 -14.967 13.416 1.00 10.53 H new ATOM 0 HA LYS A 28 7.081 -16.607 14.157 1.00 11.42 H new ATOM 0 HB2 LYS A 28 7.282 -14.034 14.007 1.00 1.23 H new ATOM 0 HB3 LYS A 28 6.999 -14.215 12.287 1.00 1.23 H new ATOM 0 HG2 LYS A 28 4.897 -15.640 13.150 1.00 4.35 H new ATOM 0 HG3 LYS A 28 5.118 -14.653 14.581 1.00 4.35 H new ATOM 0 HD2 LYS A 28 4.796 -12.617 13.371 1.00 51.12 H new ATOM 0 HD3 LYS A 28 5.029 -13.401 11.821 1.00 51.12 H new ATOM 0 HE2 LYS A 28 2.677 -13.062 12.012 1.00 54.21 H new ATOM 0 HE3 LYS A 28 2.928 -14.771 12.308 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 1.415 -13.815 13.920 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 2.830 -14.344 14.695 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 2.587 -12.688 14.408 1.00 52.40 H new ATOM 427 N VAL A 29 7.765 -16.486 10.930 1.00 55.33 N ATOM 428 CA VAL A 29 7.522 -17.153 9.656 1.00 74.14 C ATOM 429 C VAL A 29 8.265 -18.483 9.580 1.00 45.15 C ATOM 430 O VAL A 29 7.782 -19.442 8.978 1.00 41.12 O ATOM 431 CB VAL A 29 7.953 -16.270 8.469 1.00 72.33 C ATOM 432 CG1 VAL A 29 7.718 -16.994 7.152 1.00 62.33 C ATOM 433 CG2 VAL A 29 7.209 -14.943 8.498 1.00 32.35 C ATOM 0 H VAL A 29 8.470 -15.750 10.893 1.00 55.33 H new ATOM 0 HA VAL A 29 6.449 -17.335 9.595 1.00 74.14 H new ATOM 0 HB VAL A 29 9.020 -16.066 8.557 1.00 72.33 H new ATOM 0 HG11 VAL A 29 8.028 -16.355 6.325 1.00 62.33 H new ATOM 0 HG12 VAL A 29 8.298 -17.916 7.135 1.00 62.33 H new ATOM 0 HG13 VAL A 29 6.659 -17.230 7.051 1.00 62.33 H new ATOM 0 HG21 VAL A 29 7.524 -14.331 7.653 1.00 32.35 H new ATOM 0 HG22 VAL A 29 6.136 -15.126 8.433 1.00 32.35 H new ATOM 0 HG23 VAL A 29 7.433 -14.421 9.428 1.00 32.35 H new ATOM 443 N LEU A 30 9.440 -18.534 10.198 1.00 22.41 N ATOM 444 CA LEU A 30 10.251 -19.746 10.203 1.00 71.11 C ATOM 445 C LEU A 30 9.544 -20.871 10.954 1.00 21.34 C ATOM 446 O LEU A 30 9.326 -21.954 10.410 1.00 3.24 O ATOM 447 CB LEU A 30 11.613 -19.471 10.838 1.00 44.45 C ATOM 448 CG LEU A 30 12.540 -18.534 10.061 1.00 70.12 C ATOM 449 CD1 LEU A 30 13.823 -18.286 10.840 1.00 63.35 C ATOM 450 CD2 LEU A 30 12.851 -19.111 8.687 1.00 70.44 C ATOM 0 H LEU A 30 9.852 -17.749 10.702 1.00 22.41 H new ATOM 0 HA LEU A 30 10.397 -20.059 9.169 1.00 71.11 H new ATOM 0 HB2 LEU A 30 11.450 -19.048 11.830 1.00 44.45 H new ATOM 0 HB3 LEU A 30 12.125 -20.423 10.977 1.00 44.45 H new ATOM 0 HG LEU A 30 12.031 -17.580 9.926 1.00 70.12 H new ATOM 0 HD11 LEU A 30 14.470 -17.618 10.272 1.00 63.35 H new ATOM 0 HD12 LEU A 30 13.583 -17.830 11.800 1.00 63.35 H new ATOM 0 HD13 LEU A 30 14.336 -19.233 11.007 1.00 63.35 H new ATOM 0 HD21 LEU A 30 13.511 -18.432 8.148 1.00 70.44 H new ATOM 0 HD22 LEU A 30 13.340 -20.078 8.801 1.00 70.44 H new ATOM 0 HD23 LEU A 30 11.924 -19.237 8.127 1.00 70.44 H new ATOM 462 N LYS A 31 9.186 -20.605 12.205 1.00 35.54 N ATOM 463 CA LYS A 31 8.501 -21.593 13.030 1.00 4.33 C ATOM 464 C LYS A 31 7.260 -22.125 12.324 1.00 65.22 C ATOM 465 O LYS A 31 6.873 -23.278 12.514 1.00 4.33 O ATOM 466 CB LYS A 31 8.111 -20.979 14.377 1.00 23.41 C ATOM 467 CG LYS A 31 6.938 -20.018 14.290 1.00 4.34 C ATOM 468 CD LYS A 31 6.563 -19.470 15.656 1.00 42.12 C ATOM 469 CE LYS A 31 7.672 -18.603 16.232 1.00 21.52 C ATOM 470 NZ LYS A 31 7.284 -18.001 17.538 1.00 51.51 N1+ ATOM 0 H LYS A 31 9.359 -19.714 12.670 1.00 35.54 H new ATOM 0 HA LYS A 31 9.185 -22.425 13.200 1.00 4.33 H new ATOM 0 HB2 LYS A 31 7.863 -21.780 15.074 1.00 23.41 H new ATOM 0 HB3 LYS A 31 8.972 -20.452 14.790 1.00 23.41 H new ATOM 0 HG2 LYS A 31 7.191 -19.194 13.623 1.00 4.34 H new ATOM 0 HG3 LYS A 31 6.080 -20.529 13.854 1.00 4.34 H new ATOM 0 HD2 LYS A 31 5.647 -18.885 15.576 1.00 42.12 H new ATOM 0 HD3 LYS A 31 6.355 -20.296 16.336 1.00 42.12 H new ATOM 0 HE2 LYS A 31 8.572 -19.204 16.362 1.00 21.52 H new ATOM 0 HE3 LYS A 31 7.917 -17.810 15.525 1.00 21.52 H new ATOM 0 HZ1 LYS A 31 8.066 -17.418 17.897 1.00 51.51 H new ATOM 0 HZ2 LYS A 31 6.440 -17.407 17.409 1.00 51.51 H new ATOM 0 HZ3 LYS A 31 7.074 -18.757 18.220 1.00 51.51 H new ATOM 484 N GLN A 32 6.640 -21.279 11.508 1.00 0.41 N ATOM 485 CA GLN A 32 5.442 -21.667 10.772 1.00 31.03 C ATOM 486 C GLN A 32 5.792 -22.590 9.608 1.00 72.23 C ATOM 487 O GLN A 32 5.069 -23.544 9.321 1.00 71.20 O ATOM 488 CB GLN A 32 4.714 -20.427 10.252 1.00 14.11 C ATOM 489 CG GLN A 32 3.219 -20.633 10.067 1.00 32.21 C ATOM 490 CD GLN A 32 2.461 -20.626 11.382 1.00 64.43 C ATOM 491 OE1 GLN A 32 1.980 -21.793 11.793 1.00 13.23 O flip ATOM 492 NE2 GLN A 32 2.311 -19.583 12.019 1.00 2.52 N flip ATOM 0 H GLN A 32 6.947 -20.321 11.340 1.00 0.41 H new ATOM 0 HA GLN A 32 4.786 -22.206 11.455 1.00 31.03 H new ATOM 0 HB2 GLN A 32 4.876 -19.603 10.947 1.00 14.11 H new ATOM 0 HB3 GLN A 32 5.152 -20.131 9.299 1.00 14.11 H new ATOM 0 HG2 GLN A 32 2.825 -19.848 9.421 1.00 32.21 H new ATOM 0 HG3 GLN A 32 3.047 -21.581 9.558 1.00 32.21 H new ATOM 0 HE21 GLN A 32 2.698 -18.709 11.664 1.00 2.52 H new ATOM 0 HE22 GLN A 32 1.799 -19.593 12.901 1.00 2.52 H new ATOM 501 N TYR A 33 6.905 -22.298 8.944 1.00 71.01 N ATOM 502 CA TYR A 33 7.349 -23.100 7.809 1.00 11.44 C ATOM 503 C TYR A 33 7.406 -24.580 8.177 1.00 52.42 C ATOM 504 O TYR A 33 6.832 -25.424 7.490 1.00 14.22 O ATOM 505 CB TYR A 33 8.723 -22.628 7.332 1.00 65.32 C ATOM 506 CG TYR A 33 9.215 -23.348 6.096 1.00 22.44 C ATOM 507 CD1 TYR A 33 9.799 -24.606 6.188 1.00 13.33 C ATOM 508 CD2 TYR A 33 9.097 -22.769 4.839 1.00 51.13 C ATOM 509 CE1 TYR A 33 10.250 -25.266 5.061 1.00 41.43 C ATOM 510 CE2 TYR A 33 9.545 -23.423 3.708 1.00 13.20 C ATOM 511 CZ TYR A 33 10.120 -24.671 3.824 1.00 71.22 C ATOM 512 OH TYR A 33 10.567 -25.325 2.698 1.00 45.24 O ATOM 0 H TYR A 33 7.516 -21.513 9.171 1.00 71.01 H new ATOM 0 HA TYR A 33 6.628 -22.973 7.002 1.00 11.44 H new ATOM 0 HB2 TYR A 33 8.679 -21.559 7.126 1.00 65.32 H new ATOM 0 HB3 TYR A 33 9.445 -22.768 8.136 1.00 65.32 H new ATOM 0 HD1 TYR A 33 9.902 -25.075 7.155 1.00 13.33 H new ATOM 0 HD2 TYR A 33 8.648 -21.791 4.744 1.00 51.13 H new ATOM 0 HE1 TYR A 33 10.702 -26.243 5.149 1.00 41.43 H new ATOM 0 HE2 TYR A 33 9.445 -22.959 2.738 1.00 13.20 H new ATOM 0 HH TYR A 33 10.399 -24.769 1.909 1.00 45.24 H new ATOM 522 N ALA A 34 8.102 -24.886 9.268 1.00 65.10 N ATOM 523 CA ALA A 34 8.232 -26.262 9.729 1.00 15.14 C ATOM 524 C ALA A 34 6.882 -26.830 10.150 1.00 13.42 C ATOM 525 O ALA A 34 6.521 -27.944 9.773 1.00 52.15 O ATOM 526 CB ALA A 34 9.221 -26.339 10.883 1.00 34.13 C ATOM 0 H ALA A 34 8.584 -24.199 9.848 1.00 65.10 H new ATOM 0 HA ALA A 34 8.607 -26.863 8.901 1.00 15.14 H new ATOM 0 HB1 ALA A 34 9.309 -27.372 11.218 1.00 34.13 H new ATOM 0 HB2 ALA A 34 10.196 -25.981 10.551 1.00 34.13 H new ATOM 0 HB3 ALA A 34 8.868 -25.719 11.707 1.00 34.13 H new ATOM 532 N ASN A 35 6.138 -26.056 10.935 1.00 4.40 N ATOM 533 CA ASN A 35 4.826 -26.484 11.408 1.00 31.34 C ATOM 534 C ASN A 35 3.951 -26.943 10.245 1.00 43.03 C ATOM 535 O ASN A 35 3.423 -28.054 10.253 1.00 20.12 O ATOM 536 CB ASN A 35 4.137 -25.345 12.162 1.00 3.41 C ATOM 537 CG ASN A 35 2.692 -25.663 12.495 1.00 1.54 C ATOM 538 OD1 ASN A 35 2.284 -26.825 12.495 1.00 2.23 O ATOM 539 ND2 ASN A 35 1.908 -24.629 12.779 1.00 14.42 N ATOM 0 H ASN A 35 6.421 -25.130 11.256 1.00 4.40 H new ATOM 0 HA ASN A 35 4.968 -27.326 12.086 1.00 31.34 H new ATOM 0 HB2 ASN A 35 4.683 -25.140 13.083 1.00 3.41 H new ATOM 0 HB3 ASN A 35 4.177 -24.438 11.559 1.00 3.41 H new ATOM 0 HD21 ASN A 35 0.926 -24.782 13.009 1.00 14.42 H new ATOM 0 HD22 ASN A 35 2.288 -23.682 12.767 1.00 14.42 H new ATOM 546 N ASP A 36 3.804 -26.078 9.247 1.00 53.14 N ATOM 547 CA ASP A 36 2.993 -26.395 8.076 1.00 3.55 C ATOM 548 C ASP A 36 3.470 -27.685 7.418 1.00 42.33 C ATOM 549 O ASP A 36 2.668 -28.466 6.909 1.00 4.33 O ATOM 550 CB ASP A 36 3.046 -25.245 7.068 1.00 33.04 C ATOM 551 CG ASP A 36 1.836 -25.219 6.155 1.00 53.01 C ATOM 552 OD1 ASP A 36 0.710 -25.415 6.658 1.00 24.45 O ATOM 553 OD2 ASP A 36 2.015 -25.004 4.938 1.00 4.10 O1- ATOM 0 H ASP A 36 4.235 -25.154 9.225 1.00 53.14 H new ATOM 0 HA ASP A 36 1.963 -26.535 8.404 1.00 3.55 H new ATOM 0 HB2 ASP A 36 3.113 -24.298 7.604 1.00 33.04 H new ATOM 0 HB3 ASP A 36 3.950 -25.335 6.466 1.00 33.04 H new ATOM 558 N ASN A 37 4.782 -27.903 7.433 1.00 42.23 N ATOM 559 CA ASN A 37 5.365 -29.099 6.837 1.00 52.53 C ATOM 560 C ASN A 37 5.138 -30.317 7.728 1.00 42.51 C ATOM 561 O ASN A 37 5.260 -31.457 7.282 1.00 31.02 O ATOM 562 CB ASN A 37 6.863 -28.897 6.602 1.00 15.40 C ATOM 563 CG ASN A 37 7.146 -28.048 5.377 1.00 24.42 C ATOM 564 OD1 ASN A 37 6.417 -26.947 5.240 1.00 60.52 O flip ATOM 565 ND2 ASN A 37 8.010 -28.379 4.565 1.00 73.23 N flip ATOM 0 H ASN A 37 5.461 -27.267 7.851 1.00 42.23 H new ATOM 0 HA ASN A 37 4.874 -29.275 5.880 1.00 52.53 H new ATOM 0 HB2 ASN A 37 7.305 -28.424 7.479 1.00 15.40 H new ATOM 0 HB3 ASN A 37 7.344 -29.868 6.487 1.00 15.40 H new ATOM 0 HD21 ASN A 37 8.546 -29.234 4.711 1.00 73.23 H new ATOM 0 HD22 ASN A 37 8.190 -27.798 3.746 1.00 73.23 H new ATOM 572 N GLY A 38 4.810 -30.066 8.992 1.00 51.42 N ATOM 573 CA GLY A 38 4.571 -31.151 9.926 1.00 22.24 C ATOM 574 C GLY A 38 5.769 -31.427 10.812 1.00 34.14 C ATOM 575 O GLY A 38 5.932 -32.538 11.318 1.00 33.12 O ATOM 0 H GLY A 38 4.706 -29.131 9.386 1.00 51.42 H new ATOM 0 HA2 GLY A 38 3.711 -30.907 10.549 1.00 22.24 H new ATOM 0 HA3 GLY A 38 4.317 -32.054 9.372 1.00 22.24 H new ATOM 579 N ILE A 39 6.610 -30.415 10.998 1.00 5.41 N ATOM 580 CA ILE A 39 7.800 -30.556 11.829 1.00 43.12 C ATOM 581 C ILE A 39 7.755 -29.604 13.019 1.00 65.21 C ATOM 582 O ILE A 39 7.758 -28.384 12.852 1.00 75.24 O ATOM 583 CB ILE A 39 9.085 -30.290 11.022 1.00 74.04 C ATOM 584 CG1 ILE A 39 9.190 -31.269 9.851 1.00 32.44 C ATOM 585 CG2 ILE A 39 10.307 -30.397 11.921 1.00 24.24 C ATOM 586 CD1 ILE A 39 8.465 -30.804 8.607 1.00 45.32 C ATOM 0 H ILE A 39 6.490 -29.490 10.585 1.00 5.41 H new ATOM 0 HA ILE A 39 7.813 -31.585 12.189 1.00 43.12 H new ATOM 0 HB ILE A 39 9.041 -29.277 10.621 1.00 74.04 H new ATOM 0 HG12 ILE A 39 10.242 -31.425 9.612 1.00 32.44 H new ATOM 0 HG13 ILE A 39 8.786 -32.234 10.158 1.00 32.44 H new ATOM 0 HG21 ILE A 39 11.207 -30.206 11.336 1.00 24.24 H new ATOM 0 HG22 ILE A 39 10.234 -29.663 12.724 1.00 24.24 H new ATOM 0 HG23 ILE A 39 10.358 -31.398 12.349 1.00 24.24 H new ATOM 0 HD11 ILE A 39 8.582 -31.547 7.818 1.00 45.32 H new ATOM 0 HD12 ILE A 39 7.406 -30.675 8.830 1.00 45.32 H new ATOM 0 HD13 ILE A 39 8.884 -29.854 8.275 1.00 45.32 H new ATOM 598 N ASP A 40 7.716 -30.170 14.220 1.00 61.20 N ATOM 599 CA ASP A 40 7.672 -29.372 15.441 1.00 24.44 C ATOM 600 C ASP A 40 8.178 -30.177 16.634 1.00 75.15 C ATOM 601 O ASP A 40 7.679 -31.264 16.919 1.00 21.14 O ATOM 602 CB ASP A 40 6.249 -28.883 15.706 1.00 21.12 C ATOM 603 CG ASP A 40 5.222 -29.991 15.576 1.00 61.13 C ATOM 604 OD1 ASP A 40 5.103 -30.803 16.517 1.00 32.42 O ATOM 605 OD2 ASP A 40 4.538 -30.047 14.534 1.00 33.42 O1- ATOM 0 H ASP A 40 7.714 -31.178 14.375 1.00 61.20 H new ATOM 0 HA ASP A 40 8.324 -28.509 15.305 1.00 24.44 H new ATOM 0 HB2 ASP A 40 6.195 -28.457 16.708 1.00 21.12 H new ATOM 0 HB3 ASP A 40 6.007 -28.083 15.006 1.00 21.12 H new ATOM 610 N GLY A 41 9.174 -29.635 17.328 1.00 21.24 N ATOM 611 CA GLY A 41 9.732 -30.316 18.482 1.00 13.12 C ATOM 612 C GLY A 41 10.695 -29.443 19.262 1.00 54.42 C ATOM 613 O GLY A 41 10.363 -28.317 19.632 1.00 31.04 O ATOM 0 H GLY A 41 9.605 -28.736 17.112 1.00 21.24 H new ATOM 0 HA2 GLY A 41 8.922 -30.634 19.138 1.00 13.12 H new ATOM 0 HA3 GLY A 41 10.249 -31.217 18.153 1.00 13.12 H new ATOM 617 N GLU A 42 11.893 -29.965 19.513 1.00 64.11 N ATOM 618 CA GLU A 42 12.906 -29.226 20.256 1.00 65.43 C ATOM 619 C GLU A 42 13.468 -28.080 19.417 1.00 12.22 C ATOM 620 O GLU A 42 14.415 -28.264 18.653 1.00 14.12 O ATOM 621 CB GLU A 42 14.038 -30.160 20.687 1.00 1.43 C ATOM 622 CG GLU A 42 14.828 -29.649 21.879 1.00 20.13 C ATOM 623 CD GLU A 42 16.084 -30.458 22.138 1.00 40.20 C ATOM 624 OE1 GLU A 42 17.143 -30.105 21.577 1.00 2.41 O ATOM 625 OE2 GLU A 42 16.009 -31.446 22.899 1.00 21.53 O1- ATOM 0 H GLU A 42 12.184 -30.895 19.213 1.00 64.11 H new ATOM 0 HA GLU A 42 12.434 -28.806 21.144 1.00 65.43 H new ATOM 0 HB2 GLU A 42 13.619 -31.136 20.931 1.00 1.43 H new ATOM 0 HB3 GLU A 42 14.717 -30.306 19.847 1.00 1.43 H new ATOM 0 HG2 GLU A 42 15.100 -28.607 21.710 1.00 20.13 H new ATOM 0 HG3 GLU A 42 14.196 -29.673 22.766 1.00 20.13 H new ATOM 632 N TRP A 43 12.877 -26.900 19.566 1.00 12.33 N ATOM 633 CA TRP A 43 13.319 -25.725 18.823 1.00 44.33 C ATOM 634 C TRP A 43 14.430 -24.995 19.568 1.00 24.52 C ATOM 635 O TRP A 43 14.282 -24.648 20.740 1.00 14.53 O ATOM 636 CB TRP A 43 12.143 -24.778 18.581 1.00 25.15 C ATOM 637 CG TRP A 43 11.363 -25.103 17.341 1.00 35.14 C ATOM 638 CD1 TRP A 43 10.340 -25.999 17.229 1.00 73.03 C ATOM 639 CD2 TRP A 43 11.549 -24.535 16.040 1.00 24.03 C ATOM 640 NE1 TRP A 43 9.876 -26.023 15.936 1.00 43.32 N ATOM 641 CE2 TRP A 43 10.600 -25.134 15.187 1.00 4.35 C ATOM 642 CE3 TRP A 43 12.421 -23.580 15.513 1.00 72.51 C ATOM 643 CZ2 TRP A 43 10.503 -24.805 13.837 1.00 45.31 C ATOM 644 CZ3 TRP A 43 12.323 -23.255 14.173 1.00 3.34 C ATOM 645 CH2 TRP A 43 11.369 -23.866 13.348 1.00 12.41 C ATOM 0 H TRP A 43 12.091 -26.731 20.194 1.00 12.33 H new ATOM 0 HA TRP A 43 13.711 -26.060 17.863 1.00 44.33 H new ATOM 0 HB2 TRP A 43 11.475 -24.813 19.441 1.00 25.15 H new ATOM 0 HB3 TRP A 43 12.517 -23.757 18.509 1.00 25.15 H new ATOM 0 HD1 TRP A 43 9.952 -26.601 18.038 1.00 73.03 H new ATOM 0 HE1 TRP A 43 9.116 -26.608 15.590 1.00 43.32 H new ATOM 0 HE3 TRP A 43 13.159 -23.104 16.141 1.00 72.51 H new ATOM 0 HZ2 TRP A 43 9.770 -25.275 13.199 1.00 45.31 H new ATOM 0 HZ3 TRP A 43 12.993 -22.518 13.755 1.00 3.34 H new ATOM 0 HH2 TRP A 43 11.317 -23.590 12.305 1.00 12.41 H new ATOM 656 N THR A 44 15.545 -24.765 18.881 1.00 34.53 N ATOM 657 CA THR A 44 16.682 -24.076 19.478 1.00 65.03 C ATOM 658 C THR A 44 17.145 -22.918 18.604 1.00 54.41 C ATOM 659 O THR A 44 17.325 -23.072 17.395 1.00 30.31 O ATOM 660 CB THR A 44 17.864 -25.037 19.705 1.00 61.21 C ATOM 661 OG1 THR A 44 18.477 -25.364 18.454 1.00 24.22 O ATOM 662 CG2 THR A 44 17.401 -26.310 20.398 1.00 35.31 C ATOM 0 H THR A 44 15.684 -25.046 17.910 1.00 34.53 H new ATOM 0 HA THR A 44 16.347 -23.689 20.440 1.00 65.03 H new ATOM 0 HB THR A 44 18.592 -24.538 20.345 1.00 61.21 H new ATOM 0 HG1 THR A 44 17.882 -25.949 17.941 1.00 24.22 H new ATOM 0 HG21 THR A 44 18.253 -26.973 20.548 1.00 35.31 H new ATOM 0 HG22 THR A 44 16.962 -26.060 21.364 1.00 35.31 H new ATOM 0 HG23 THR A 44 16.656 -26.810 19.780 1.00 35.31 H new ATOM 670 N TYR A 45 17.337 -21.757 19.219 1.00 42.04 N ATOM 671 CA TYR A 45 17.778 -20.570 18.495 1.00 11.43 C ATOM 672 C TYR A 45 19.126 -20.083 19.018 1.00 51.14 C ATOM 673 O TYR A 45 19.419 -20.191 20.208 1.00 5.30 O ATOM 674 CB TYR A 45 16.738 -19.455 18.619 1.00 44.21 C ATOM 675 CG TYR A 45 16.576 -18.930 20.028 1.00 0.20 C ATOM 676 CD1 TYR A 45 17.355 -17.877 20.491 1.00 21.12 C ATOM 677 CD2 TYR A 45 15.647 -19.489 20.896 1.00 61.13 C ATOM 678 CE1 TYR A 45 17.211 -17.394 21.777 1.00 52.42 C ATOM 679 CE2 TYR A 45 15.496 -19.012 22.184 1.00 11.21 C ATOM 680 CZ TYR A 45 16.280 -17.965 22.620 1.00 74.21 C ATOM 681 OH TYR A 45 16.134 -17.488 23.902 1.00 75.43 O ATOM 0 H TYR A 45 17.194 -21.612 20.218 1.00 42.04 H new ATOM 0 HA TYR A 45 17.891 -20.838 17.444 1.00 11.43 H new ATOM 0 HB2 TYR A 45 17.021 -18.631 17.964 1.00 44.21 H new ATOM 0 HB3 TYR A 45 15.776 -19.826 18.266 1.00 44.21 H new ATOM 0 HD1 TYR A 45 18.086 -17.428 19.834 1.00 21.12 H new ATOM 0 HD2 TYR A 45 15.032 -20.310 20.559 1.00 61.13 H new ATOM 0 HE1 TYR A 45 17.824 -16.574 22.121 1.00 52.42 H new ATOM 0 HE2 TYR A 45 14.768 -19.457 22.846 1.00 11.21 H new ATOM 0 HH TYR A 45 15.436 -17.998 24.363 1.00 75.43 H new ATOM 691 N ASP A 46 19.942 -19.545 18.118 1.00 21.33 N ATOM 692 CA ASP A 46 21.260 -19.039 18.486 1.00 1.32 C ATOM 693 C ASP A 46 21.332 -17.526 18.298 1.00 61.15 C ATOM 694 O ASP A 46 20.931 -17.000 17.259 1.00 72.22 O ATOM 695 CB ASP A 46 22.344 -19.722 17.652 1.00 43.44 C ATOM 696 CG ASP A 46 23.021 -20.855 18.398 1.00 51.23 C ATOM 697 OD1 ASP A 46 23.538 -20.609 19.507 1.00 21.34 O ATOM 698 OD2 ASP A 46 23.031 -21.987 17.873 1.00 62.22 O1- ATOM 0 H ASP A 46 19.714 -19.448 17.128 1.00 21.33 H new ATOM 0 HA ASP A 46 21.428 -19.265 19.539 1.00 1.32 H new ATOM 0 HB2 ASP A 46 21.902 -20.109 16.734 1.00 43.44 H new ATOM 0 HB3 ASP A 46 23.092 -18.985 17.360 1.00 43.44 H new ATOM 703 N ASP A 47 21.846 -16.833 19.309 1.00 41.54 N ATOM 704 CA ASP A 47 21.971 -15.382 19.255 1.00 4.41 C ATOM 705 C ASP A 47 23.319 -14.974 18.668 1.00 62.25 C ATOM 706 O ASP A 47 23.462 -13.886 18.112 1.00 5.11 O ATOM 707 CB ASP A 47 21.807 -14.781 20.652 1.00 71.13 C ATOM 708 CG ASP A 47 21.832 -13.266 20.638 1.00 1.25 C ATOM 709 OD1 ASP A 47 22.922 -12.693 20.430 1.00 61.20 O ATOM 710 OD2 ASP A 47 20.762 -12.654 20.832 1.00 74.15 O1- ATOM 0 H ASP A 47 22.183 -17.253 20.175 1.00 41.54 H new ATOM 0 HA ASP A 47 21.182 -14.999 18.608 1.00 4.41 H new ATOM 0 HB2 ASP A 47 20.865 -15.122 21.082 1.00 71.13 H new ATOM 0 HB3 ASP A 47 22.604 -15.148 21.298 1.00 71.13 H new ATOM 715 N ALA A 48 24.306 -15.855 18.797 1.00 25.10 N ATOM 716 CA ALA A 48 25.642 -15.588 18.280 1.00 40.24 C ATOM 717 C ALA A 48 25.728 -15.910 16.792 1.00 31.42 C ATOM 718 O ALA A 48 26.361 -15.184 16.024 1.00 53.32 O ATOM 719 CB ALA A 48 26.679 -16.387 19.056 1.00 4.21 C ATOM 0 H ALA A 48 24.205 -16.760 19.256 1.00 25.10 H new ATOM 0 HA ALA A 48 25.849 -14.526 18.408 1.00 40.24 H new ATOM 0 HB1 ALA A 48 27.672 -16.177 18.658 1.00 4.21 H new ATOM 0 HB2 ALA A 48 26.642 -16.105 20.108 1.00 4.21 H new ATOM 0 HB3 ALA A 48 26.466 -17.452 18.958 1.00 4.21 H new ATOM 725 N THR A 49 25.090 -17.004 16.389 1.00 12.11 N ATOM 726 CA THR A 49 25.096 -17.424 14.994 1.00 74.11 C ATOM 727 C THR A 49 23.852 -16.929 14.265 1.00 70.20 C ATOM 728 O THR A 49 23.811 -16.900 13.035 1.00 32.42 O ATOM 729 CB THR A 49 25.177 -18.956 14.868 1.00 24.41 C ATOM 730 OG1 THR A 49 23.921 -19.544 15.226 1.00 1.21 O ATOM 731 CG2 THR A 49 26.276 -19.515 15.758 1.00 41.21 C ATOM 0 H THR A 49 24.562 -17.616 17.011 1.00 12.11 H new ATOM 0 HA THR A 49 25.981 -16.983 14.536 1.00 74.11 H new ATOM 0 HB THR A 49 25.411 -19.201 13.832 1.00 24.41 H new ATOM 0 HG1 THR A 49 23.980 -20.519 15.142 1.00 1.21 H new ATOM 0 HG21 THR A 49 26.314 -20.599 15.652 1.00 41.21 H new ATOM 0 HG22 THR A 49 27.235 -19.088 15.464 1.00 41.21 H new ATOM 0 HG23 THR A 49 26.068 -19.259 16.797 1.00 41.21 H new ATOM 739 N LYS A 50 22.837 -16.542 15.032 1.00 21.45 N ATOM 740 CA LYS A 50 21.591 -16.048 14.460 1.00 24.50 C ATOM 741 C LYS A 50 20.960 -17.091 13.544 1.00 44.50 C ATOM 742 O LYS A 50 20.450 -16.766 12.472 1.00 62.24 O ATOM 743 CB LYS A 50 21.842 -14.755 13.681 1.00 43.32 C ATOM 744 CG LYS A 50 21.952 -13.524 14.564 1.00 63.34 C ATOM 745 CD LYS A 50 20.653 -13.248 15.303 1.00 34.24 C ATOM 746 CE LYS A 50 20.653 -11.862 15.930 1.00 43.43 C ATOM 747 NZ LYS A 50 21.785 -11.683 16.878 1.00 51.44 N1+ ATOM 0 H LYS A 50 22.854 -16.561 16.052 1.00 21.45 H new ATOM 0 HA LYS A 50 20.900 -15.845 15.278 1.00 24.50 H new ATOM 0 HB2 LYS A 50 22.761 -14.861 13.104 1.00 43.32 H new ATOM 0 HB3 LYS A 50 21.032 -14.608 12.967 1.00 43.32 H new ATOM 0 HG2 LYS A 50 22.758 -13.663 15.284 1.00 63.34 H new ATOM 0 HG3 LYS A 50 22.215 -12.660 13.954 1.00 63.34 H new ATOM 0 HD2 LYS A 50 19.814 -13.336 14.612 1.00 34.24 H new ATOM 0 HD3 LYS A 50 20.508 -14.000 16.079 1.00 34.24 H new ATOM 0 HE2 LYS A 50 20.714 -11.108 15.145 1.00 43.43 H new ATOM 0 HE3 LYS A 50 19.711 -11.701 16.454 1.00 43.43 H new ATOM 0 HZ1 LYS A 50 21.444 -11.213 17.741 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 22.182 -12.612 17.124 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 22.521 -11.098 16.433 1.00 51.44 H new ATOM 761 N THR A 51 20.996 -18.350 13.975 1.00 11.32 N ATOM 762 CA THR A 51 20.428 -19.440 13.193 1.00 1.22 C ATOM 763 C THR A 51 19.570 -20.351 14.064 1.00 61.11 C ATOM 764 O THR A 51 19.900 -20.614 15.222 1.00 14.31 O ATOM 765 CB THR A 51 21.528 -20.282 12.520 1.00 32.44 C ATOM 766 OG1 THR A 51 22.298 -19.463 11.634 1.00 5.41 O ATOM 767 CG2 THR A 51 20.924 -21.445 11.748 1.00 11.53 C ATOM 0 H THR A 51 21.412 -18.638 14.860 1.00 11.32 H new ATOM 0 HA THR A 51 19.806 -18.985 12.422 1.00 1.22 H new ATOM 0 HB THR A 51 22.176 -20.682 13.300 1.00 32.44 H new ATOM 0 HG1 THR A 51 22.733 -18.748 12.144 1.00 5.41 H new ATOM 0 HG21 THR A 51 21.720 -22.025 11.282 1.00 11.53 H new ATOM 0 HG22 THR A 51 20.363 -22.083 12.431 1.00 11.53 H new ATOM 0 HG23 THR A 51 20.255 -21.062 10.977 1.00 11.53 H new ATOM 775 N PHE A 52 18.465 -20.831 13.502 1.00 30.20 N ATOM 776 CA PHE A 52 17.558 -21.712 14.229 1.00 4.54 C ATOM 777 C PHE A 52 17.816 -23.173 13.870 1.00 30.30 C ATOM 778 O PHE A 52 18.301 -23.481 12.780 1.00 21.14 O ATOM 779 CB PHE A 52 16.105 -21.349 13.920 1.00 12.04 C ATOM 780 CG PHE A 52 15.729 -19.958 14.348 1.00 74.44 C ATOM 781 CD1 PHE A 52 15.344 -19.701 15.653 1.00 35.05 C ATOM 782 CD2 PHE A 52 15.764 -18.908 13.443 1.00 63.21 C ATOM 783 CE1 PHE A 52 15.000 -18.423 16.050 1.00 30.21 C ATOM 784 CE2 PHE A 52 15.421 -17.628 13.834 1.00 0.41 C ATOM 785 CZ PHE A 52 15.037 -17.385 15.139 1.00 61.44 C ATOM 0 H PHE A 52 18.176 -20.625 12.546 1.00 30.20 H new ATOM 0 HA PHE A 52 17.740 -21.580 15.296 1.00 4.54 H new ATOM 0 HB2 PHE A 52 15.934 -21.449 12.848 1.00 12.04 H new ATOM 0 HB3 PHE A 52 15.447 -22.063 14.416 1.00 12.04 H new ATOM 0 HD1 PHE A 52 15.312 -20.509 16.369 1.00 35.05 H new ATOM 0 HD2 PHE A 52 16.063 -19.093 12.422 1.00 63.21 H new ATOM 0 HE1 PHE A 52 14.703 -18.236 17.071 1.00 30.21 H new ATOM 0 HE2 PHE A 52 15.453 -16.818 13.120 1.00 0.41 H new ATOM 0 HZ PHE A 52 14.766 -16.386 15.446 1.00 61.44 H new ATOM 795 N THR A 53 17.491 -24.070 14.795 1.00 0.11 N ATOM 796 CA THR A 53 17.688 -25.498 14.579 1.00 21.01 C ATOM 797 C THR A 53 16.731 -26.320 15.434 1.00 13.54 C ATOM 798 O THR A 53 16.877 -26.390 16.654 1.00 65.33 O ATOM 799 CB THR A 53 19.134 -25.918 14.897 1.00 71.55 C ATOM 800 OG1 THR A 53 20.056 -25.104 14.163 1.00 33.14 O ATOM 801 CG2 THR A 53 19.360 -27.383 14.552 1.00 42.43 C ATOM 0 H THR A 53 17.090 -23.833 15.702 1.00 0.11 H new ATOM 0 HA THR A 53 17.485 -25.691 13.526 1.00 21.01 H new ATOM 0 HB THR A 53 19.300 -25.781 15.965 1.00 71.55 H new ATOM 0 HG1 THR A 53 20.973 -25.378 14.373 1.00 33.14 H new ATOM 0 HG21 THR A 53 20.389 -27.657 14.785 1.00 42.43 H new ATOM 0 HG22 THR A 53 18.678 -28.003 15.134 1.00 42.43 H new ATOM 0 HG23 THR A 53 19.175 -27.539 13.489 1.00 42.43 H new ATOM 809 N VAL A 54 15.752 -26.943 14.785 1.00 41.10 N ATOM 810 CA VAL A 54 14.772 -27.763 15.487 1.00 72.00 C ATOM 811 C VAL A 54 15.130 -29.242 15.401 1.00 45.11 C ATOM 812 O VAL A 54 15.418 -29.762 14.321 1.00 12.34 O ATOM 813 CB VAL A 54 13.355 -27.556 14.918 1.00 0.11 C ATOM 814 CG1 VAL A 54 13.299 -27.980 13.458 1.00 3.22 C ATOM 815 CG2 VAL A 54 12.332 -28.321 15.744 1.00 74.40 C ATOM 0 H VAL A 54 15.617 -26.895 13.775 1.00 41.10 H new ATOM 0 HA VAL A 54 14.786 -27.448 16.530 1.00 72.00 H new ATOM 0 HB VAL A 54 13.111 -26.495 14.973 1.00 0.11 H new ATOM 0 HG11 VAL A 54 12.291 -27.827 13.073 1.00 3.22 H new ATOM 0 HG12 VAL A 54 14.003 -27.383 12.879 1.00 3.22 H new ATOM 0 HG13 VAL A 54 13.563 -29.034 13.375 1.00 3.22 H new ATOM 0 HG21 VAL A 54 11.337 -28.163 15.328 1.00 74.40 H new ATOM 0 HG22 VAL A 54 12.570 -29.385 15.723 1.00 74.40 H new ATOM 0 HG23 VAL A 54 12.355 -27.964 16.774 1.00 74.40 H new ATOM 825 N THR A 55 15.111 -29.919 16.545 1.00 72.33 N ATOM 826 CA THR A 55 15.434 -31.338 16.600 1.00 3.13 C ATOM 827 C THR A 55 14.179 -32.180 16.803 1.00 12.32 C ATOM 828 O THR A 55 13.534 -32.106 17.849 1.00 74.03 O ATOM 829 CB THR A 55 16.433 -31.644 17.732 1.00 4.31 C ATOM 830 OG1 THR A 55 17.468 -30.655 17.751 1.00 72.43 O ATOM 831 CG2 THR A 55 17.047 -33.024 17.554 1.00 14.14 C ATOM 0 H THR A 55 14.875 -29.506 17.447 1.00 72.33 H new ATOM 0 HA THR A 55 15.890 -31.595 15.644 1.00 3.13 H new ATOM 0 HB THR A 55 15.893 -31.624 18.679 1.00 4.31 H new ATOM 0 HG1 THR A 55 18.098 -30.855 18.474 1.00 72.43 H new ATOM 0 HG21 THR A 55 17.749 -33.217 18.365 1.00 14.14 H new ATOM 0 HG22 THR A 55 16.259 -33.777 17.568 1.00 14.14 H new ATOM 0 HG23 THR A 55 17.573 -33.068 16.601 1.00 14.14 H new ATOM 839 N GLU A 56 13.841 -32.982 15.799 1.00 21.23 N ATOM 840 CA GLU A 56 12.662 -33.839 15.869 1.00 55.12 C ATOM 841 C GLU A 56 13.017 -35.203 16.450 1.00 33.02 C ATOM 842 O GLU A 56 12.136 -35.980 16.820 1.00 51.44 O ATOM 843 CB GLU A 56 12.045 -34.009 14.480 1.00 55.30 C ATOM 844 CG GLU A 56 10.982 -32.971 14.155 1.00 43.44 C ATOM 845 CD GLU A 56 9.928 -33.496 13.200 1.00 30.12 C ATOM 846 OE1 GLU A 56 8.802 -33.782 13.659 1.00 71.33 O ATOM 847 OE2 GLU A 56 10.227 -33.620 11.995 1.00 70.21 O1- ATOM 0 H GLU A 56 14.366 -33.057 14.928 1.00 21.23 H new ATOM 0 HA GLU A 56 11.935 -33.361 16.525 1.00 55.12 H new ATOM 0 HB2 GLU A 56 12.835 -33.954 13.731 1.00 55.30 H new ATOM 0 HB3 GLU A 56 11.605 -35.003 14.406 1.00 55.30 H new ATOM 0 HG2 GLU A 56 10.502 -32.647 15.078 1.00 43.44 H new ATOM 0 HG3 GLU A 56 11.458 -32.093 13.718 1.00 43.44 H new