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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.0991 (180deg=0.0987) 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= -0.0647 K(o=-0.065,f=-1.8) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0909) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= -0.082 (180deg=-1.34) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0302 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= -0.0319 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= -0.34 X(o=-0.34,f=-0.3) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0171 K(o=-0.017,f=-0.52!) USER MOD Single : A 37 ASN : amide:sc= -0.0105 X(o=-0.011,f=-0.00085) USER MOD Single : A 44 THR OG1 : rot -35:sc= 1.33 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 0.00383 (180deg=-0.0319) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0284 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.226 -8.362 7.785 1.00 2.03 N ATOM 2 CA MET A 1 19.092 -9.448 8.227 1.00 34.23 C ATOM 3 C MET A 1 18.556 -10.796 7.756 1.00 73.15 C ATOM 4 O MET A 1 17.425 -11.172 8.069 1.00 63.51 O ATOM 5 CB MET A 1 19.216 -9.441 9.751 1.00 42.53 C ATOM 6 CG MET A 1 20.183 -8.392 10.277 1.00 45.15 C ATOM 7 SD MET A 1 20.347 -8.436 12.073 1.00 3.33 S ATOM 8 CE MET A 1 22.118 -8.639 12.246 1.00 73.52 C ATOM 0 H1 MET A 1 18.619 -7.453 8.102 1.00 2.03 H new ATOM 0 H2 MET A 1 18.163 -8.369 6.747 1.00 2.03 H new ATOM 0 H3 MET A 1 17.276 -8.488 8.190 1.00 2.03 H new ATOM 0 HA MET A 1 20.078 -9.295 7.788 1.00 34.23 H new ATOM 0 HB2 MET A 1 18.232 -9.267 10.187 1.00 42.53 H new ATOM 0 HB3 MET A 1 19.543 -10.425 10.085 1.00 42.53 H new ATOM 0 HG2 MET A 1 21.162 -8.546 9.823 1.00 45.15 H new ATOM 0 HG3 MET A 1 19.842 -7.403 9.971 1.00 45.15 H new ATOM 0 HE1 MET A 1 22.378 -8.683 13.304 1.00 73.52 H new ATOM 0 HE2 MET A 1 22.428 -9.563 11.757 1.00 73.52 H new ATOM 0 HE3 MET A 1 22.628 -7.795 11.782 1.00 73.52 H new ATOM 18 N THR A 2 19.376 -11.523 7.001 1.00 32.33 N ATOM 19 CA THR A 2 18.984 -12.828 6.486 1.00 25.25 C ATOM 20 C THR A 2 19.138 -13.909 7.551 1.00 52.42 C ATOM 21 O THR A 2 20.161 -13.981 8.233 1.00 3.11 O ATOM 22 CB THR A 2 19.817 -13.218 5.251 1.00 23.24 C ATOM 23 OG1 THR A 2 19.910 -12.107 4.352 1.00 35.55 O ATOM 24 CG2 THR A 2 19.198 -14.408 4.533 1.00 50.33 C ATOM 0 H THR A 2 20.315 -11.229 6.733 1.00 32.33 H new ATOM 0 HA THR A 2 17.935 -12.752 6.199 1.00 25.25 H new ATOM 0 HB THR A 2 20.815 -13.497 5.588 1.00 23.24 H new ATOM 0 HG1 THR A 2 20.443 -12.363 3.570 1.00 35.55 H new ATOM 0 HG21 THR A 2 19.804 -14.664 3.664 1.00 50.33 H new ATOM 0 HG22 THR A 2 19.156 -15.261 5.211 1.00 50.33 H new ATOM 0 HG23 THR A 2 18.189 -14.153 4.209 1.00 50.33 H new ATOM 32 N PHE A 3 18.115 -14.748 7.688 1.00 23.24 N ATOM 33 CA PHE A 3 18.139 -15.825 8.670 1.00 31.32 C ATOM 34 C PHE A 3 18.076 -17.186 7.985 1.00 32.01 C ATOM 35 O PHE A 3 17.605 -17.305 6.854 1.00 41.12 O ATOM 36 CB PHE A 3 16.969 -15.677 9.646 1.00 42.31 C ATOM 37 CG PHE A 3 17.295 -14.845 10.853 1.00 33.03 C ATOM 38 CD1 PHE A 3 17.930 -15.408 11.948 1.00 42.10 C ATOM 39 CD2 PHE A 3 16.969 -13.500 10.891 1.00 33.44 C ATOM 40 CE1 PHE A 3 18.233 -14.644 13.061 1.00 51.32 C ATOM 41 CE2 PHE A 3 17.270 -12.731 11.999 1.00 24.41 C ATOM 42 CZ PHE A 3 17.900 -13.304 13.086 1.00 72.31 C ATOM 0 H PHE A 3 17.261 -14.702 7.132 1.00 23.24 H new ATOM 0 HA PHE A 3 19.076 -15.760 9.223 1.00 31.32 H new ATOM 0 HB2 PHE A 3 16.125 -15.228 9.123 1.00 42.31 H new ATOM 0 HB3 PHE A 3 16.652 -16.667 9.973 1.00 42.31 H new ATOM 0 HD1 PHE A 3 18.192 -16.456 11.933 1.00 42.10 H new ATOM 0 HD2 PHE A 3 16.474 -13.047 10.045 1.00 33.44 H new ATOM 0 HE1 PHE A 3 18.729 -15.094 13.908 1.00 51.32 H new ATOM 0 HE2 PHE A 3 17.013 -11.682 12.015 1.00 24.41 H new ATOM 0 HZ PHE A 3 18.132 -12.705 13.954 1.00 72.31 H new ATOM 52 N LYS A 4 18.557 -18.214 8.679 1.00 30.13 N ATOM 53 CA LYS A 4 18.554 -19.569 8.140 1.00 25.34 C ATOM 54 C LYS A 4 17.804 -20.522 9.066 1.00 70.05 C ATOM 55 O LYS A 4 17.823 -20.360 10.287 1.00 25.23 O ATOM 56 CB LYS A 4 19.990 -20.061 7.941 1.00 2.25 C ATOM 57 CG LYS A 4 20.108 -21.206 6.951 1.00 51.01 C ATOM 58 CD LYS A 4 21.557 -21.605 6.730 1.00 12.30 C ATOM 59 CE LYS A 4 21.671 -22.790 5.782 1.00 32.32 C ATOM 60 NZ LYS A 4 22.897 -23.595 6.043 1.00 32.44 N1+ ATOM 0 H LYS A 4 18.953 -18.134 9.615 1.00 30.13 H new ATOM 0 HA LYS A 4 18.044 -19.550 7.177 1.00 25.34 H new ATOM 0 HB2 LYS A 4 20.606 -19.230 7.598 1.00 2.25 H new ATOM 0 HB3 LYS A 4 20.393 -20.380 8.902 1.00 2.25 H new ATOM 0 HG2 LYS A 4 19.545 -22.064 7.318 1.00 51.01 H new ATOM 0 HG3 LYS A 4 19.661 -20.914 6.001 1.00 51.01 H new ATOM 0 HD2 LYS A 4 22.111 -20.758 6.324 1.00 12.30 H new ATOM 0 HD3 LYS A 4 22.016 -21.857 7.686 1.00 12.30 H new ATOM 0 HE2 LYS A 4 20.791 -23.425 5.887 1.00 32.32 H new ATOM 0 HE3 LYS A 4 21.685 -22.431 4.753 1.00 32.32 H new ATOM 0 HZ1 LYS A 4 22.937 -24.392 5.376 1.00 32.44 H new ATOM 0 HZ2 LYS A 4 23.738 -22.997 5.918 1.00 32.44 H new ATOM 0 HZ3 LYS A 4 22.873 -23.959 7.017 1.00 32.44 H new ATOM 74 N LEU A 5 17.145 -21.514 8.477 1.00 33.01 N ATOM 75 CA LEU A 5 16.389 -22.494 9.248 1.00 5.52 C ATOM 76 C LEU A 5 16.982 -23.888 9.087 1.00 63.41 C ATOM 77 O LEU A 5 17.328 -24.303 7.980 1.00 54.40 O ATOM 78 CB LEU A 5 14.924 -22.496 8.810 1.00 41.31 C ATOM 79 CG LEU A 5 13.985 -23.401 9.609 1.00 72.33 C ATOM 80 CD1 LEU A 5 14.111 -23.118 11.097 1.00 41.24 C ATOM 81 CD2 LEU A 5 12.545 -23.215 9.149 1.00 71.45 C ATOM 0 H LEU A 5 17.119 -21.661 7.468 1.00 33.01 H new ATOM 0 HA LEU A 5 16.447 -22.215 10.300 1.00 5.52 H new ATOM 0 HB2 LEU A 5 14.547 -21.475 8.867 1.00 41.31 H new ATOM 0 HB3 LEU A 5 14.879 -22.794 7.763 1.00 41.31 H new ATOM 0 HG LEU A 5 14.271 -24.438 9.431 1.00 72.33 H new ATOM 0 HD11 LEU A 5 13.436 -23.771 11.650 1.00 41.24 H new ATOM 0 HD12 LEU A 5 15.137 -23.302 11.417 1.00 41.24 H new ATOM 0 HD13 LEU A 5 13.851 -22.078 11.293 1.00 41.24 H new ATOM 0 HD21 LEU A 5 11.891 -23.867 9.728 1.00 71.45 H new ATOM 0 HD22 LEU A 5 12.247 -22.177 9.297 1.00 71.45 H new ATOM 0 HD23 LEU A 5 12.465 -23.468 8.092 1.00 71.45 H new ATOM 93 N ILE A 6 17.097 -24.609 10.199 1.00 4.33 N ATOM 94 CA ILE A 6 17.646 -25.959 10.179 1.00 33.32 C ATOM 95 C ILE A 6 16.643 -26.968 10.726 1.00 45.43 C ATOM 96 O ILE A 6 16.411 -27.037 11.934 1.00 53.14 O ATOM 97 CB ILE A 6 18.946 -26.049 10.999 1.00 13.12 C ATOM 98 CG1 ILE A 6 20.087 -25.342 10.265 1.00 20.14 C ATOM 99 CG2 ILE A 6 19.303 -27.504 11.267 1.00 23.52 C ATOM 100 CD1 ILE A 6 20.479 -26.012 8.967 1.00 64.22 C ATOM 0 H ILE A 6 16.817 -24.280 11.123 1.00 4.33 H new ATOM 0 HA ILE A 6 17.865 -26.196 9.138 1.00 33.32 H new ATOM 0 HB ILE A 6 18.790 -25.551 11.956 1.00 13.12 H new ATOM 0 HG12 ILE A 6 19.793 -24.313 10.059 1.00 20.14 H new ATOM 0 HG13 ILE A 6 20.958 -25.299 10.920 1.00 20.14 H new ATOM 0 HG21 ILE A 6 20.224 -27.552 11.848 1.00 23.52 H new ATOM 0 HG22 ILE A 6 18.497 -27.979 11.826 1.00 23.52 H new ATOM 0 HG23 ILE A 6 19.444 -28.025 10.320 1.00 23.52 H new ATOM 0 HD11 ILE A 6 21.293 -25.456 8.502 1.00 64.22 H new ATOM 0 HD12 ILE A 6 20.805 -27.033 9.168 1.00 64.22 H new ATOM 0 HD13 ILE A 6 19.622 -26.031 8.294 1.00 64.22 H new ATOM 112 N ILE A 7 16.049 -27.751 9.831 1.00 20.51 N ATOM 113 CA ILE A 7 15.073 -28.758 10.225 1.00 51.32 C ATOM 114 C ILE A 7 15.725 -30.129 10.370 1.00 24.33 C ATOM 115 O ILE A 7 15.792 -30.900 9.413 1.00 22.23 O ATOM 116 CB ILE A 7 13.922 -28.856 9.206 1.00 15.41 C ATOM 117 CG1 ILE A 7 13.329 -27.470 8.939 1.00 1.21 C ATOM 118 CG2 ILE A 7 12.848 -29.809 9.709 1.00 72.24 C ATOM 119 CD1 ILE A 7 12.302 -27.455 7.829 1.00 50.13 C ATOM 0 H ILE A 7 16.227 -27.707 8.828 1.00 20.51 H new ATOM 0 HA ILE A 7 14.670 -28.446 11.188 1.00 51.32 H new ATOM 0 HB ILE A 7 14.318 -29.248 8.269 1.00 15.41 H new ATOM 0 HG12 ILE A 7 12.868 -27.099 9.854 1.00 1.21 H new ATOM 0 HG13 ILE A 7 14.135 -26.781 8.686 1.00 1.21 H new ATOM 0 HG21 ILE A 7 12.042 -29.867 8.978 1.00 72.24 H new ATOM 0 HG22 ILE A 7 13.279 -30.800 9.853 1.00 72.24 H new ATOM 0 HG23 ILE A 7 12.452 -29.444 10.657 1.00 72.24 H new ATOM 0 HD11 ILE A 7 11.925 -26.441 7.696 1.00 50.13 H new ATOM 0 HD12 ILE A 7 12.763 -27.796 6.902 1.00 50.13 H new ATOM 0 HD13 ILE A 7 11.476 -28.118 8.088 1.00 50.13 H new ATOM 131 N ASN A 8 16.204 -30.426 11.574 1.00 64.41 N ATOM 132 CA ASN A 8 16.850 -31.705 11.846 1.00 62.14 C ATOM 133 C ASN A 8 15.818 -32.825 11.945 1.00 34.41 C ATOM 134 O ASN A 8 15.507 -33.300 13.036 1.00 1.43 O ATOM 135 CB ASN A 8 17.660 -31.626 13.141 1.00 1.04 C ATOM 136 CG ASN A 8 18.625 -32.785 13.291 1.00 72.24 C ATOM 137 OD1 ASN A 8 18.636 -33.707 12.475 1.00 2.11 O ATOM 138 ND2 ASN A 8 19.441 -32.744 14.338 1.00 14.42 N ATOM 0 H ASN A 8 16.157 -29.798 12.377 1.00 64.41 H new ATOM 0 HA ASN A 8 17.523 -31.927 11.018 1.00 62.14 H new ATOM 0 HB2 ASN A 8 18.216 -30.689 13.162 1.00 1.04 H new ATOM 0 HB3 ASN A 8 16.979 -31.611 13.992 1.00 1.04 H new ATOM 0 HD21 ASN A 8 20.112 -33.497 14.491 1.00 14.42 H new ATOM 0 HD22 ASN A 8 19.397 -31.960 14.989 1.00 14.42 H new ATOM 145 N GLY A 9 15.294 -33.242 10.797 1.00 25.24 N ATOM 146 CA GLY A 9 14.305 -34.304 10.776 1.00 42.23 C ATOM 147 C GLY A 9 14.902 -35.647 10.404 1.00 54.12 C ATOM 148 O GLY A 9 15.639 -35.757 9.424 1.00 64.31 O ATOM 0 H GLY A 9 15.536 -32.864 9.881 1.00 25.24 H new ATOM 0 HA2 GLY A 9 13.835 -34.378 11.757 1.00 42.23 H new ATOM 0 HA3 GLY A 9 13.519 -34.050 10.065 1.00 42.23 H new ATOM 152 N LYS A 10 14.585 -36.670 11.188 1.00 20.14 N ATOM 153 CA LYS A 10 15.096 -38.014 10.937 1.00 61.12 C ATOM 154 C LYS A 10 14.728 -38.481 9.532 1.00 44.41 C ATOM 155 O LYS A 10 15.402 -39.335 8.954 1.00 51.54 O ATOM 156 CB LYS A 10 14.542 -38.993 11.973 1.00 74.11 C ATOM 157 CG LYS A 10 14.860 -38.605 13.409 1.00 52.15 C ATOM 158 CD LYS A 10 16.094 -39.328 13.921 1.00 52.11 C ATOM 159 CE LYS A 10 16.070 -39.468 15.435 1.00 33.45 C ATOM 160 NZ LYS A 10 15.088 -40.495 15.880 1.00 33.12 N1+ ATOM 0 H LYS A 10 13.977 -36.596 12.003 1.00 20.14 H new ATOM 0 HA LYS A 10 16.183 -37.985 11.018 1.00 61.12 H new ATOM 0 HB2 LYS A 10 13.461 -39.061 11.855 1.00 74.11 H new ATOM 0 HB3 LYS A 10 14.947 -39.986 11.776 1.00 74.11 H new ATOM 0 HG2 LYS A 10 15.017 -37.528 13.470 1.00 52.15 H new ATOM 0 HG3 LYS A 10 14.008 -38.840 14.048 1.00 52.15 H new ATOM 0 HD2 LYS A 10 16.154 -40.316 13.464 1.00 52.11 H new ATOM 0 HD3 LYS A 10 16.988 -38.782 13.619 1.00 52.11 H new ATOM 0 HE2 LYS A 10 17.064 -39.738 15.791 1.00 33.45 H new ATOM 0 HE3 LYS A 10 15.820 -38.507 15.885 1.00 33.45 H new ATOM 0 HZ1 LYS A 10 15.284 -40.758 16.867 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 14.125 -40.108 15.809 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 15.169 -41.337 15.275 1.00 33.12 H new ATOM 174 N THR A 11 13.655 -37.917 8.988 1.00 15.21 N ATOM 175 CA THR A 11 13.198 -38.276 7.650 1.00 62.22 C ATOM 176 C THR A 11 13.051 -37.041 6.769 1.00 61.24 C ATOM 177 O THR A 11 13.346 -37.079 5.575 1.00 32.30 O ATOM 178 CB THR A 11 11.851 -39.022 7.699 1.00 70.54 C ATOM 179 OG1 THR A 11 11.368 -39.246 6.371 1.00 73.10 O ATOM 180 CG2 THR A 11 10.823 -38.230 8.491 1.00 44.40 C ATOM 0 H THR A 11 13.086 -37.210 9.453 1.00 15.21 H new ATOM 0 HA THR A 11 13.955 -38.934 7.223 1.00 62.22 H new ATOM 0 HB THR A 11 12.008 -39.980 8.195 1.00 70.54 H new ATOM 0 HG1 THR A 11 10.512 -39.722 6.410 1.00 73.10 H new ATOM 0 HG21 THR A 11 9.880 -38.776 8.512 1.00 44.40 H new ATOM 0 HG22 THR A 11 11.181 -38.086 9.510 1.00 44.40 H new ATOM 0 HG23 THR A 11 10.669 -37.259 8.019 1.00 44.40 H new ATOM 188 N LEU A 12 12.593 -35.946 7.366 1.00 23.00 N ATOM 189 CA LEU A 12 12.407 -34.697 6.635 1.00 43.11 C ATOM 190 C LEU A 12 13.458 -33.668 7.039 1.00 4.35 C ATOM 191 O LEU A 12 13.309 -32.972 8.044 1.00 72.22 O ATOM 192 CB LEU A 12 11.005 -34.138 6.889 1.00 64.33 C ATOM 193 CG LEU A 12 10.312 -33.495 5.688 1.00 11.33 C ATOM 194 CD1 LEU A 12 8.964 -32.920 6.095 1.00 33.21 C ATOM 195 CD2 LEU A 12 11.193 -32.416 5.077 1.00 70.53 C ATOM 0 H LEU A 12 12.344 -35.898 8.354 1.00 23.00 H new ATOM 0 HA LEU A 12 12.521 -34.907 5.571 1.00 43.11 H new ATOM 0 HB2 LEU A 12 10.374 -34.947 7.257 1.00 64.33 H new ATOM 0 HB3 LEU A 12 11.070 -33.397 7.686 1.00 64.33 H new ATOM 0 HG LEU A 12 10.143 -34.265 4.935 1.00 11.33 H new ATOM 0 HD11 LEU A 12 8.485 -32.466 5.227 1.00 33.21 H new ATOM 0 HD12 LEU A 12 8.331 -33.717 6.484 1.00 33.21 H new ATOM 0 HD13 LEU A 12 9.109 -32.164 6.866 1.00 33.21 H new ATOM 0 HD21 LEU A 12 10.683 -31.970 4.223 1.00 70.53 H new ATOM 0 HD22 LEU A 12 11.395 -31.646 5.822 1.00 70.53 H new ATOM 0 HD23 LEU A 12 12.133 -32.858 4.747 1.00 70.53 H new ATOM 207 N LYS A 13 14.522 -33.575 6.247 1.00 21.15 N ATOM 208 CA LYS A 13 15.597 -32.628 6.519 1.00 13.53 C ATOM 209 C LYS A 13 15.684 -31.573 5.421 1.00 62.51 C ATOM 210 O LYS A 13 15.545 -31.882 4.239 1.00 23.21 O ATOM 211 CB LYS A 13 16.934 -33.365 6.640 1.00 14.43 C ATOM 212 CG LYS A 13 17.737 -32.969 7.867 1.00 1.44 C ATOM 213 CD LYS A 13 18.899 -33.920 8.102 1.00 42.34 C ATOM 214 CE LYS A 13 20.027 -33.678 7.109 1.00 71.21 C ATOM 215 NZ LYS A 13 19.836 -34.455 5.853 1.00 31.45 N1+ ATOM 0 H LYS A 13 14.662 -34.144 5.412 1.00 21.15 H new ATOM 0 HA LYS A 13 15.377 -32.128 7.462 1.00 13.53 H new ATOM 0 HB2 LYS A 13 16.746 -34.438 6.670 1.00 14.43 H new ATOM 0 HB3 LYS A 13 17.529 -33.170 5.748 1.00 14.43 H new ATOM 0 HG2 LYS A 13 18.115 -31.954 7.744 1.00 1.44 H new ATOM 0 HG3 LYS A 13 17.087 -32.963 8.742 1.00 1.44 H new ATOM 0 HD2 LYS A 13 19.274 -33.794 9.118 1.00 42.34 H new ATOM 0 HD3 LYS A 13 18.551 -34.949 8.016 1.00 42.34 H new ATOM 0 HE2 LYS A 13 20.082 -32.615 6.874 1.00 71.21 H new ATOM 0 HE3 LYS A 13 20.978 -33.953 7.565 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 20.693 -35.009 5.654 1.00 31.45 H new ATOM 0 HZ2 LYS A 13 19.026 -35.098 5.962 1.00 31.45 H new ATOM 0 HZ3 LYS A 13 19.656 -33.801 5.064 1.00 31.45 H new ATOM 229 N GLY A 14 15.914 -30.326 5.822 1.00 64.41 N ATOM 230 CA GLY A 14 16.017 -29.245 4.860 1.00 2.42 C ATOM 231 C GLY A 14 16.417 -27.933 5.503 1.00 5.42 C ATOM 232 O GLY A 14 17.018 -27.919 6.576 1.00 43.14 O ATOM 0 H GLY A 14 16.031 -30.046 6.796 1.00 64.41 H new ATOM 0 HA2 GLY A 14 16.749 -29.510 4.097 1.00 2.42 H new ATOM 0 HA3 GLY A 14 15.060 -29.121 4.354 1.00 2.42 H new ATOM 236 N GLU A 15 16.085 -26.825 4.844 1.00 34.54 N ATOM 237 CA GLU A 15 16.417 -25.503 5.358 1.00 71.41 C ATOM 238 C GLU A 15 15.708 -24.414 4.556 1.00 64.34 C ATOM 239 O GLU A 15 15.344 -24.618 3.397 1.00 1.11 O ATOM 240 CB GLU A 15 17.930 -25.280 5.315 1.00 73.45 C ATOM 241 CG GLU A 15 18.553 -25.588 3.965 1.00 42.33 C ATOM 242 CD GLU A 15 19.033 -27.023 3.857 1.00 65.22 C ATOM 243 OE1 GLU A 15 20.086 -27.342 4.449 1.00 13.12 O ATOM 244 OE2 GLU A 15 18.357 -27.825 3.181 1.00 51.34 O1- ATOM 0 H GLU A 15 15.587 -26.819 3.954 1.00 34.54 H new ATOM 0 HA GLU A 15 16.078 -25.448 6.393 1.00 71.41 H new ATOM 0 HB2 GLU A 15 18.143 -24.243 5.576 1.00 73.45 H new ATOM 0 HB3 GLU A 15 18.402 -25.904 6.074 1.00 73.45 H new ATOM 0 HG2 GLU A 15 17.823 -25.393 3.179 1.00 42.33 H new ATOM 0 HG3 GLU A 15 19.393 -24.914 3.794 1.00 42.33 H new ATOM 251 N THR A 16 15.518 -23.257 5.183 1.00 30.23 N ATOM 252 CA THR A 16 14.852 -22.136 4.529 1.00 24.41 C ATOM 253 C THR A 16 15.262 -20.811 5.160 1.00 65.30 C ATOM 254 O THR A 16 15.585 -20.749 6.347 1.00 35.35 O ATOM 255 CB THR A 16 13.320 -22.274 4.600 1.00 23.35 C ATOM 256 OG1 THR A 16 12.697 -21.080 4.113 1.00 41.12 O ATOM 257 CG2 THR A 16 12.866 -22.541 6.029 1.00 10.41 C ATOM 0 H THR A 16 15.815 -23.072 6.141 1.00 30.23 H new ATOM 0 HA THR A 16 15.162 -22.149 3.484 1.00 24.41 H new ATOM 0 HB THR A 16 13.025 -23.118 3.977 1.00 23.35 H new ATOM 0 HG1 THR A 16 11.723 -21.177 4.160 1.00 41.12 H new ATOM 0 HG21 THR A 16 11.780 -22.635 6.054 1.00 10.41 H new ATOM 0 HG22 THR A 16 13.319 -23.465 6.388 1.00 10.41 H new ATOM 0 HG23 THR A 16 13.174 -21.714 6.669 1.00 10.41 H new ATOM 265 N THR A 17 15.245 -19.750 4.359 1.00 54.32 N ATOM 266 CA THR A 17 15.615 -18.423 4.839 1.00 12.31 C ATOM 267 C THR A 17 14.466 -17.437 4.669 1.00 23.20 C ATOM 268 O THR A 17 13.575 -17.640 3.844 1.00 35.13 O ATOM 269 CB THR A 17 16.854 -17.884 4.101 1.00 33.43 C ATOM 270 OG1 THR A 17 16.572 -17.755 2.702 1.00 1.33 O ATOM 271 CG2 THR A 17 18.047 -18.807 4.298 1.00 2.04 C ATOM 0 H THR A 17 14.979 -19.783 3.375 1.00 54.32 H new ATOM 0 HA THR A 17 15.849 -18.524 5.899 1.00 12.31 H new ATOM 0 HB THR A 17 17.099 -16.906 4.516 1.00 33.43 H new ATOM 0 HG1 THR A 17 17.364 -17.410 2.239 1.00 1.33 H new ATOM 0 HG21 THR A 17 18.910 -18.405 3.767 1.00 2.04 H new ATOM 0 HG22 THR A 17 18.277 -18.882 5.361 1.00 2.04 H new ATOM 0 HG23 THR A 17 17.810 -19.797 3.908 1.00 2.04 H new ATOM 279 N THR A 18 14.492 -16.363 5.453 1.00 1.12 N ATOM 280 CA THR A 18 13.452 -15.344 5.390 1.00 0.52 C ATOM 281 C THR A 18 13.969 -14.000 5.889 1.00 45.23 C ATOM 282 O THR A 18 14.525 -13.907 6.983 1.00 15.53 O ATOM 283 CB THR A 18 12.218 -15.748 6.219 1.00 64.43 C ATOM 284 OG1 THR A 18 11.209 -14.737 6.117 1.00 33.34 O ATOM 285 CG2 THR A 18 12.591 -15.955 7.679 1.00 40.51 C ATOM 0 H THR A 18 15.223 -16.177 6.140 1.00 1.12 H new ATOM 0 HA THR A 18 13.162 -15.252 4.343 1.00 0.52 H new ATOM 0 HB THR A 18 11.832 -16.688 5.823 1.00 64.43 H new ATOM 0 HG1 THR A 18 10.427 -15.001 6.645 1.00 33.34 H new ATOM 0 HG21 THR A 18 11.704 -16.240 8.244 1.00 40.51 H new ATOM 0 HG22 THR A 18 13.338 -16.745 7.755 1.00 40.51 H new ATOM 0 HG23 THR A 18 12.999 -15.029 8.085 1.00 40.51 H new ATOM 293 N GLU A 19 13.781 -12.962 5.082 1.00 35.24 N ATOM 294 CA GLU A 19 14.229 -11.622 5.444 1.00 14.34 C ATOM 295 C GLU A 19 13.364 -11.042 6.559 1.00 73.40 C ATOM 296 O GLU A 19 12.143 -10.957 6.432 1.00 13.11 O ATOM 297 CB GLU A 19 14.191 -10.700 4.223 1.00 73.50 C ATOM 298 CG GLU A 19 15.451 -10.761 3.376 1.00 40.15 C ATOM 299 CD GLU A 19 15.499 -11.989 2.490 1.00 11.31 C ATOM 300 OE1 GLU A 19 16.599 -12.562 2.330 1.00 30.40 O ATOM 301 OE2 GLU A 19 14.440 -12.379 1.955 1.00 34.34 O1- ATOM 0 H GLU A 19 13.322 -13.022 4.173 1.00 35.24 H new ATOM 0 HA GLU A 19 15.255 -11.695 5.804 1.00 14.34 H new ATOM 0 HB2 GLU A 19 13.334 -10.965 3.604 1.00 73.50 H new ATOM 0 HB3 GLU A 19 14.037 -9.674 4.557 1.00 73.50 H new ATOM 0 HG2 GLU A 19 15.510 -9.867 2.755 1.00 40.15 H new ATOM 0 HG3 GLU A 19 16.324 -10.754 4.029 1.00 40.15 H new ATOM 308 N ALA A 20 14.007 -10.644 7.652 1.00 74.44 N ATOM 309 CA ALA A 20 13.297 -10.072 8.790 1.00 23.12 C ATOM 310 C ALA A 20 14.103 -8.946 9.429 1.00 54.32 C ATOM 311 O ALA A 20 15.195 -8.612 8.969 1.00 42.41 O ATOM 312 CB ALA A 20 12.987 -11.150 9.816 1.00 33.00 C ATOM 0 H ALA A 20 15.018 -10.707 7.774 1.00 74.44 H new ATOM 0 HA ALA A 20 12.359 -9.652 8.427 1.00 23.12 H new ATOM 0 HB1 ALA A 20 12.457 -10.708 10.660 1.00 33.00 H new ATOM 0 HB2 ALA A 20 12.364 -11.919 9.359 1.00 33.00 H new ATOM 0 HB3 ALA A 20 13.917 -11.597 10.166 1.00 33.00 H new ATOM 318 N VAL A 21 13.559 -8.365 10.494 1.00 3.03 N ATOM 319 CA VAL A 21 14.227 -7.277 11.196 1.00 53.14 C ATOM 320 C VAL A 21 14.733 -7.734 12.560 1.00 3.01 C ATOM 321 O VAL A 21 15.716 -7.203 13.079 1.00 4.54 O ATOM 322 CB VAL A 21 13.290 -6.071 11.387 1.00 33.31 C ATOM 323 CG1 VAL A 21 13.081 -5.343 10.068 1.00 23.31 C ATOM 324 CG2 VAL A 21 11.960 -6.517 11.976 1.00 5.33 C ATOM 0 H VAL A 21 12.657 -8.630 10.889 1.00 3.03 H new ATOM 0 HA VAL A 21 15.073 -6.975 10.579 1.00 53.14 H new ATOM 0 HB VAL A 21 13.757 -5.378 12.087 1.00 33.31 H new ATOM 0 HG11 VAL A 21 12.416 -4.493 10.223 1.00 23.31 H new ATOM 0 HG12 VAL A 21 14.041 -4.989 9.692 1.00 23.31 H new ATOM 0 HG13 VAL A 21 12.636 -6.024 9.343 1.00 23.31 H new ATOM 0 HG21 VAL A 21 11.310 -5.651 12.104 1.00 5.33 H new ATOM 0 HG22 VAL A 21 11.485 -7.231 11.303 1.00 5.33 H new ATOM 0 HG23 VAL A 21 12.131 -6.989 12.944 1.00 5.33 H new ATOM 334 N ASP A 22 14.058 -8.720 13.136 1.00 31.34 N ATOM 335 CA ASP A 22 14.438 -9.251 14.440 1.00 34.11 C ATOM 336 C ASP A 22 14.318 -10.772 14.464 1.00 64.45 C ATOM 337 O ASP A 22 13.782 -11.377 13.537 1.00 24.43 O ATOM 338 CB ASP A 22 13.567 -8.641 15.538 1.00 2.35 C ATOM 339 CG ASP A 22 14.005 -7.239 15.912 1.00 12.32 C ATOM 340 OD1 ASP A 22 15.142 -7.083 16.405 1.00 25.10 O ATOM 341 OD2 ASP A 22 13.210 -6.297 15.713 1.00 2.01 O1- ATOM 0 H ASP A 22 13.242 -9.170 12.720 1.00 31.34 H new ATOM 0 HA ASP A 22 15.479 -8.984 14.623 1.00 34.11 H new ATOM 0 HB2 ASP A 22 12.530 -8.618 15.204 1.00 2.35 H new ATOM 0 HB3 ASP A 22 13.603 -9.278 16.422 1.00 2.35 H new ATOM 346 N ALA A 23 14.823 -11.384 15.532 1.00 45.21 N ATOM 347 CA ALA A 23 14.772 -12.832 15.676 1.00 14.32 C ATOM 348 C ALA A 23 13.330 -13.328 15.735 1.00 51.22 C ATOM 349 O ALA A 23 13.019 -14.415 15.253 1.00 61.02 O ATOM 350 CB ALA A 23 15.532 -13.265 16.922 1.00 11.53 C ATOM 0 H ALA A 23 15.271 -10.898 16.309 1.00 45.21 H new ATOM 0 HA ALA A 23 15.246 -13.276 14.801 1.00 14.32 H new ATOM 0 HB1 ALA A 23 15.486 -14.350 17.018 1.00 11.53 H new ATOM 0 HB2 ALA A 23 16.573 -12.952 16.841 1.00 11.53 H new ATOM 0 HB3 ALA A 23 15.082 -12.804 17.801 1.00 11.53 H new ATOM 356 N ALA A 24 12.456 -12.521 16.328 1.00 24.41 N ATOM 357 CA ALA A 24 11.048 -12.878 16.448 1.00 54.51 C ATOM 358 C ALA A 24 10.313 -12.659 15.130 1.00 3.13 C ATOM 359 O ALA A 24 9.305 -13.310 14.854 1.00 23.22 O ATOM 360 CB ALA A 24 10.393 -12.072 17.560 1.00 61.03 C ATOM 0 H ALA A 24 12.698 -11.616 16.732 1.00 24.41 H new ATOM 0 HA ALA A 24 10.986 -13.937 16.697 1.00 54.51 H new ATOM 0 HB1 ALA A 24 9.342 -12.348 17.639 1.00 61.03 H new ATOM 0 HB2 ALA A 24 10.895 -12.281 18.505 1.00 61.03 H new ATOM 0 HB3 ALA A 24 10.473 -11.009 17.334 1.00 61.03 H new ATOM 366 N THR A 25 10.823 -11.737 14.319 1.00 1.15 N ATOM 367 CA THR A 25 10.213 -11.431 13.031 1.00 53.23 C ATOM 368 C THR A 25 10.376 -12.591 12.056 1.00 30.45 C ATOM 369 O THR A 25 9.422 -12.999 11.395 1.00 63.44 O ATOM 370 CB THR A 25 10.824 -10.161 12.408 1.00 71.03 C ATOM 371 OG1 THR A 25 10.815 -9.094 13.363 1.00 61.13 O ATOM 372 CG2 THR A 25 10.052 -9.744 11.165 1.00 61.04 C ATOM 0 H THR A 25 11.657 -11.189 14.532 1.00 1.15 H new ATOM 0 HA THR A 25 9.152 -11.262 13.216 1.00 53.23 H new ATOM 0 HB THR A 25 11.852 -10.381 12.121 1.00 71.03 H new ATOM 0 HG1 THR A 25 10.286 -8.347 13.014 1.00 61.13 H new ATOM 0 HG21 THR A 25 10.501 -8.845 10.742 1.00 61.04 H new ATOM 0 HG22 THR A 25 10.086 -10.547 10.429 1.00 61.04 H new ATOM 0 HG23 THR A 25 9.015 -9.540 11.432 1.00 61.04 H new ATOM 380 N ALA A 26 11.593 -13.120 11.971 1.00 14.02 N ATOM 381 CA ALA A 26 11.882 -14.235 11.078 1.00 64.04 C ATOM 382 C ALA A 26 11.292 -15.535 11.616 1.00 75.33 C ATOM 383 O ALA A 26 10.692 -16.310 10.871 1.00 62.32 O ATOM 384 CB ALA A 26 13.382 -14.378 10.879 1.00 21.44 C ATOM 0 H ALA A 26 12.395 -12.794 12.510 1.00 14.02 H new ATOM 0 HA ALA A 26 11.418 -14.026 10.114 1.00 64.04 H new ATOM 0 HB1 ALA A 26 13.582 -15.215 10.210 1.00 21.44 H new ATOM 0 HB2 ALA A 26 13.780 -13.462 10.443 1.00 21.44 H new ATOM 0 HB3 ALA A 26 13.861 -14.560 11.841 1.00 21.44 H new ATOM 390 N GLU A 27 11.466 -15.766 12.913 1.00 43.32 N ATOM 391 CA GLU A 27 10.951 -16.973 13.548 1.00 43.14 C ATOM 392 C GLU A 27 9.459 -17.138 13.277 1.00 11.53 C ATOM 393 O GLU A 27 8.956 -18.255 13.158 1.00 74.20 O ATOM 394 CB GLU A 27 11.205 -16.929 15.057 1.00 72.21 C ATOM 395 CG GLU A 27 10.869 -18.230 15.768 1.00 34.42 C ATOM 396 CD GLU A 27 10.730 -18.056 17.268 1.00 24.33 C ATOM 397 OE1 GLU A 27 11.657 -17.490 17.887 1.00 1.45 O ATOM 398 OE2 GLU A 27 9.698 -18.485 17.822 1.00 75.42 O1- ATOM 0 H GLU A 27 11.959 -15.134 13.544 1.00 43.32 H new ATOM 0 HA GLU A 27 11.476 -17.828 13.122 1.00 43.14 H new ATOM 0 HB2 GLU A 27 12.253 -16.688 15.234 1.00 72.21 H new ATOM 0 HB3 GLU A 27 10.615 -16.123 15.493 1.00 72.21 H new ATOM 0 HG2 GLU A 27 9.939 -18.630 15.365 1.00 34.42 H new ATOM 0 HG3 GLU A 27 11.648 -18.964 15.562 1.00 34.42 H new ATOM 405 N LYS A 28 8.754 -16.015 13.180 1.00 10.53 N ATOM 406 CA LYS A 28 7.319 -16.033 12.921 1.00 11.42 C ATOM 407 C LYS A 28 7.010 -16.758 11.614 1.00 42.33 C ATOM 408 O LYS A 28 6.047 -17.519 11.529 1.00 43.53 O ATOM 409 CB LYS A 28 6.774 -14.603 12.865 1.00 1.23 C ATOM 410 CG LYS A 28 5.260 -14.525 12.969 1.00 4.35 C ATOM 411 CD LYS A 28 4.811 -13.229 13.620 1.00 51.12 C ATOM 412 CE LYS A 28 3.300 -13.069 13.561 1.00 54.21 C ATOM 413 NZ LYS A 28 2.891 -11.637 13.584 1.00 52.40 N1+ ATOM 0 H LYS A 28 9.153 -15.081 13.277 1.00 10.53 H new ATOM 0 HA LYS A 28 6.834 -16.570 13.736 1.00 11.42 H new ATOM 0 HB2 LYS A 28 7.216 -14.023 13.675 1.00 1.23 H new ATOM 0 HB3 LYS A 28 7.090 -14.139 11.931 1.00 1.23 H new ATOM 0 HG2 LYS A 28 4.822 -14.604 11.974 1.00 4.35 H new ATOM 0 HG3 LYS A 28 4.890 -15.371 13.548 1.00 4.35 H new ATOM 0 HD2 LYS A 28 5.139 -13.210 14.659 1.00 51.12 H new ATOM 0 HD3 LYS A 28 5.287 -12.386 13.120 1.00 51.12 H new ATOM 0 HE2 LYS A 28 2.920 -13.540 12.654 1.00 54.21 H new ATOM 0 HE3 LYS A 28 2.847 -13.589 14.405 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 1.854 -11.571 13.542 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 3.231 -11.193 14.461 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 3.302 -11.145 12.765 1.00 52.40 H new ATOM 427 N VAL A 29 7.834 -16.515 10.599 1.00 55.33 N ATOM 428 CA VAL A 29 7.649 -17.147 9.299 1.00 74.14 C ATOM 429 C VAL A 29 8.285 -18.532 9.265 1.00 45.15 C ATOM 430 O VAL A 29 7.689 -19.490 8.770 1.00 41.12 O ATOM 431 CB VAL A 29 8.250 -16.291 8.168 1.00 72.33 C ATOM 432 CG1 VAL A 29 8.016 -16.948 6.818 1.00 62.33 C ATOM 433 CG2 VAL A 29 7.668 -14.887 8.196 1.00 32.35 C ATOM 0 H VAL A 29 8.635 -15.886 10.653 1.00 55.33 H new ATOM 0 HA VAL A 29 6.574 -17.240 9.143 1.00 74.14 H new ATOM 0 HB VAL A 29 9.326 -16.216 8.326 1.00 72.33 H new ATOM 0 HG11 VAL A 29 8.448 -16.328 6.032 1.00 62.33 H new ATOM 0 HG12 VAL A 29 8.487 -17.931 6.805 1.00 62.33 H new ATOM 0 HG13 VAL A 29 6.945 -17.057 6.647 1.00 62.33 H new ATOM 0 HG21 VAL A 29 8.104 -14.296 7.390 1.00 32.35 H new ATOM 0 HG22 VAL A 29 6.587 -14.938 8.065 1.00 32.35 H new ATOM 0 HG23 VAL A 29 7.895 -14.418 9.153 1.00 32.35 H new ATOM 443 N LEU A 30 9.498 -18.633 9.797 1.00 22.41 N ATOM 444 CA LEU A 30 10.216 -19.903 9.829 1.00 71.11 C ATOM 445 C LEU A 30 9.396 -20.974 10.542 1.00 21.34 C ATOM 446 O LEU A 30 9.251 -22.092 10.046 1.00 3.24 O ATOM 447 CB LEU A 30 11.567 -19.731 10.527 1.00 44.45 C ATOM 448 CG LEU A 30 12.577 -18.828 9.818 1.00 70.12 C ATOM 449 CD1 LEU A 30 13.886 -18.782 10.592 1.00 63.35 C ATOM 450 CD2 LEU A 30 12.814 -19.309 8.394 1.00 70.44 C ATOM 0 H LEU A 30 10.005 -17.851 10.212 1.00 22.41 H new ATOM 0 HA LEU A 30 10.383 -20.223 8.801 1.00 71.11 H new ATOM 0 HB2 LEU A 30 11.390 -19.331 11.525 1.00 44.45 H new ATOM 0 HB3 LEU A 30 12.016 -20.716 10.654 1.00 44.45 H new ATOM 0 HG LEU A 30 12.167 -17.819 9.776 1.00 70.12 H new ATOM 0 HD11 LEU A 30 14.593 -18.135 10.073 1.00 63.35 H new ATOM 0 HD12 LEU A 30 13.703 -18.391 11.593 1.00 63.35 H new ATOM 0 HD13 LEU A 30 14.301 -19.787 10.665 1.00 63.35 H new ATOM 0 HD21 LEU A 30 13.535 -18.655 7.904 1.00 70.44 H new ATOM 0 HD22 LEU A 30 13.203 -20.327 8.414 1.00 70.44 H new ATOM 0 HD23 LEU A 30 11.874 -19.290 7.842 1.00 70.44 H new ATOM 462 N LYS A 31 8.858 -20.624 11.705 1.00 35.54 N ATOM 463 CA LYS A 31 8.050 -21.553 12.485 1.00 4.33 C ATOM 464 C LYS A 31 6.789 -21.950 11.723 1.00 65.22 C ATOM 465 O LYS A 31 6.277 -23.057 11.886 1.00 4.33 O ATOM 466 CB LYS A 31 7.669 -20.927 13.828 1.00 23.41 C ATOM 467 CG LYS A 31 6.601 -19.853 13.718 1.00 4.34 C ATOM 468 CD LYS A 31 6.474 -19.057 15.007 1.00 42.12 C ATOM 469 CE LYS A 31 5.135 -18.341 15.091 1.00 21.52 C ATOM 470 NZ LYS A 31 4.081 -19.204 15.692 1.00 51.51 N1+ ATOM 0 H LYS A 31 8.967 -19.703 12.128 1.00 35.54 H new ATOM 0 HA LYS A 31 8.644 -22.449 12.664 1.00 4.33 H new ATOM 0 HB2 LYS A 31 7.316 -21.711 14.498 1.00 23.41 H new ATOM 0 HB3 LYS A 31 8.560 -20.496 14.284 1.00 23.41 H new ATOM 0 HG2 LYS A 31 6.844 -19.180 12.896 1.00 4.34 H new ATOM 0 HG3 LYS A 31 5.643 -20.315 13.479 1.00 4.34 H new ATOM 0 HD2 LYS A 31 6.584 -19.725 15.861 1.00 42.12 H new ATOM 0 HD3 LYS A 31 7.282 -18.328 15.067 1.00 42.12 H new ATOM 0 HE2 LYS A 31 5.245 -17.434 15.686 1.00 21.52 H new ATOM 0 HE3 LYS A 31 4.825 -18.032 14.093 1.00 21.52 H new ATOM 0 HZ1 LYS A 31 3.184 -18.680 15.732 1.00 51.51 H new ATOM 0 HZ2 LYS A 31 3.958 -20.057 15.111 1.00 51.51 H new ATOM 0 HZ3 LYS A 31 4.364 -19.479 16.654 1.00 51.51 H new ATOM 484 N GLN A 32 6.296 -21.040 10.890 1.00 0.41 N ATOM 485 CA GLN A 32 5.096 -21.296 10.101 1.00 31.03 C ATOM 486 C GLN A 32 5.398 -22.239 8.941 1.00 72.23 C ATOM 487 O GLN A 32 4.542 -23.019 8.523 1.00 71.20 O ATOM 488 CB GLN A 32 4.518 -19.984 9.569 1.00 14.11 C ATOM 489 CG GLN A 32 3.163 -20.141 8.899 1.00 32.21 C ATOM 490 CD GLN A 32 2.187 -20.941 9.739 1.00 64.43 C ATOM 491 OE1 GLN A 32 1.565 -21.887 9.258 1.00 13.23 O ATOM 492 NE2 GLN A 32 2.048 -20.564 11.006 1.00 2.52 N ATOM 0 H GLN A 32 6.708 -20.119 10.744 1.00 0.41 H new ATOM 0 HA GLN A 32 4.361 -21.771 10.750 1.00 31.03 H new ATOM 0 HB2 GLN A 32 4.426 -19.277 10.393 1.00 14.11 H new ATOM 0 HB3 GLN A 32 5.219 -19.552 8.855 1.00 14.11 H new ATOM 0 HG2 GLN A 32 2.743 -19.155 8.701 1.00 32.21 H new ATOM 0 HG3 GLN A 32 3.293 -20.631 7.934 1.00 32.21 H new ATOM 0 HE21 GLN A 32 2.584 -19.773 11.365 1.00 2.52 H new ATOM 0 HE22 GLN A 32 1.406 -21.065 11.620 1.00 2.52 H new ATOM 501 N TYR A 33 6.620 -22.163 8.426 1.00 71.01 N ATOM 502 CA TYR A 33 7.034 -23.008 7.312 1.00 11.44 C ATOM 503 C TYR A 33 7.120 -24.470 7.740 1.00 52.42 C ATOM 504 O TYR A 33 6.707 -25.368 7.007 1.00 14.22 O ATOM 505 CB TYR A 33 8.386 -22.544 6.767 1.00 65.32 C ATOM 506 CG TYR A 33 8.762 -23.188 5.453 1.00 22.44 C ATOM 507 CD1 TYR A 33 8.711 -22.469 4.264 1.00 13.33 C ATOM 508 CD2 TYR A 33 9.168 -24.515 5.397 1.00 51.13 C ATOM 509 CE1 TYR A 33 9.053 -23.053 3.061 1.00 41.43 C ATOM 510 CE2 TYR A 33 9.515 -25.108 4.198 1.00 13.20 C ATOM 511 CZ TYR A 33 9.455 -24.372 3.032 1.00 71.22 C ATOM 512 OH TYR A 33 9.796 -24.958 1.836 1.00 45.24 O ATOM 0 H TYR A 33 7.341 -21.525 8.762 1.00 71.01 H new ATOM 0 HA TYR A 33 6.284 -22.922 6.526 1.00 11.44 H new ATOM 0 HB2 TYR A 33 8.364 -21.462 6.639 1.00 65.32 H new ATOM 0 HB3 TYR A 33 9.159 -22.762 7.503 1.00 65.32 H new ATOM 0 HD1 TYR A 33 8.398 -21.435 4.282 1.00 13.33 H new ATOM 0 HD2 TYR A 33 9.213 -25.094 6.307 1.00 51.13 H new ATOM 0 HE1 TYR A 33 9.006 -22.480 2.147 1.00 41.43 H new ATOM 0 HE2 TYR A 33 9.831 -26.140 4.174 1.00 13.20 H new ATOM 0 HH TYR A 33 10.057 -25.890 1.991 1.00 45.24 H new ATOM 522 N ALA A 34 7.660 -24.699 8.933 1.00 65.10 N ATOM 523 CA ALA A 34 7.799 -26.051 9.461 1.00 15.14 C ATOM 524 C ALA A 34 6.457 -26.593 9.941 1.00 13.42 C ATOM 525 O ALA A 34 6.102 -27.737 9.663 1.00 52.15 O ATOM 526 CB ALA A 34 8.815 -26.073 10.593 1.00 34.13 C ATOM 0 H ALA A 34 8.008 -23.966 9.552 1.00 65.10 H new ATOM 0 HA ALA A 34 8.154 -26.695 8.656 1.00 15.14 H new ATOM 0 HB1 ALA A 34 8.909 -27.088 10.978 1.00 34.13 H new ATOM 0 HB2 ALA A 34 9.782 -25.735 10.221 1.00 34.13 H new ATOM 0 HB3 ALA A 34 8.483 -25.411 11.393 1.00 34.13 H new ATOM 532 N ASN A 35 5.715 -25.762 10.667 1.00 4.40 N ATOM 533 CA ASN A 35 4.411 -26.159 11.189 1.00 31.34 C ATOM 534 C ASN A 35 3.502 -26.648 10.064 1.00 43.03 C ATOM 535 O ASN A 35 2.788 -27.638 10.217 1.00 20.12 O ATOM 536 CB ASN A 35 3.752 -24.988 11.919 1.00 3.41 C ATOM 537 CG ASN A 35 2.707 -25.444 12.918 1.00 1.54 C ATOM 538 OD1 ASN A 35 1.889 -26.315 12.622 1.00 2.23 O ATOM 539 ND2 ASN A 35 2.729 -24.855 14.108 1.00 14.42 N ATOM 0 H ASN A 35 5.994 -24.811 10.907 1.00 4.40 H new ATOM 0 HA ASN A 35 4.563 -26.977 11.893 1.00 31.34 H new ATOM 0 HB2 ASN A 35 4.517 -24.409 12.436 1.00 3.41 H new ATOM 0 HB3 ASN A 35 3.288 -24.324 11.190 1.00 3.41 H new ATOM 0 HD21 ASN A 35 2.049 -25.120 14.821 1.00 14.42 H new ATOM 0 HD22 ASN A 35 3.426 -24.138 14.309 1.00 14.42 H new ATOM 546 N ASP A 36 3.535 -25.946 8.937 1.00 53.14 N ATOM 547 CA ASP A 36 2.715 -26.310 7.786 1.00 3.55 C ATOM 548 C ASP A 36 2.975 -27.753 7.367 1.00 42.33 C ATOM 549 O ASP A 36 2.103 -28.414 6.808 1.00 4.33 O ATOM 550 CB ASP A 36 2.997 -25.367 6.614 1.00 33.04 C ATOM 551 CG ASP A 36 1.847 -25.309 5.630 1.00 53.01 C ATOM 552 OD1 ASP A 36 2.085 -25.542 4.425 1.00 24.45 O ATOM 553 OD2 ASP A 36 0.709 -25.032 6.061 1.00 4.10 O1- ATOM 0 H ASP A 36 4.120 -25.122 8.795 1.00 53.14 H new ATOM 0 HA ASP A 36 1.668 -26.218 8.074 1.00 3.55 H new ATOM 0 HB2 ASP A 36 3.195 -24.366 6.996 1.00 33.04 H new ATOM 0 HB3 ASP A 36 3.898 -25.695 6.096 1.00 33.04 H new ATOM 558 N ASN A 37 4.184 -28.235 7.642 1.00 42.23 N ATOM 559 CA ASN A 37 4.559 -29.600 7.293 1.00 52.53 C ATOM 560 C ASN A 37 4.242 -30.561 8.435 1.00 42.51 C ATOM 561 O ASN A 37 4.165 -31.774 8.236 1.00 31.02 O ATOM 562 CB ASN A 37 6.049 -29.670 6.953 1.00 15.40 C ATOM 563 CG ASN A 37 6.369 -29.025 5.617 1.00 24.42 C ATOM 564 OD1 ASN A 37 6.723 -29.708 4.656 1.00 60.52 O ATOM 565 ND2 ASN A 37 6.244 -27.706 5.552 1.00 73.23 N ATOM 0 H ASN A 37 4.919 -27.701 8.105 1.00 42.23 H new ATOM 0 HA ASN A 37 3.978 -29.897 6.420 1.00 52.53 H new ATOM 0 HB2 ASN A 37 6.622 -29.176 7.738 1.00 15.40 H new ATOM 0 HB3 ASN A 37 6.366 -30.713 6.935 1.00 15.40 H new ATOM 0 HD21 ASN A 37 6.444 -27.217 4.680 1.00 73.23 H new ATOM 0 HD22 ASN A 37 5.947 -27.181 6.374 1.00 73.23 H new ATOM 572 N GLY A 38 4.057 -30.011 9.630 1.00 51.42 N ATOM 573 CA GLY A 38 3.749 -30.833 10.785 1.00 22.24 C ATOM 574 C GLY A 38 4.973 -31.132 11.627 1.00 34.14 C ATOM 575 O GLY A 38 5.059 -32.185 12.259 1.00 33.12 O ATOM 0 H GLY A 38 4.115 -29.010 9.819 1.00 51.42 H new ATOM 0 HA2 GLY A 38 3.004 -30.327 11.399 1.00 22.24 H new ATOM 0 HA3 GLY A 38 3.303 -31.770 10.452 1.00 22.24 H new ATOM 579 N ILE A 39 5.923 -30.203 11.637 1.00 5.41 N ATOM 580 CA ILE A 39 7.148 -30.372 12.408 1.00 43.12 C ATOM 581 C ILE A 39 6.989 -29.823 13.823 1.00 65.21 C ATOM 582 O ILE A 39 6.486 -28.717 14.017 1.00 75.24 O ATOM 583 CB ILE A 39 8.342 -29.672 11.730 1.00 74.04 C ATOM 584 CG1 ILE A 39 8.549 -30.225 10.319 1.00 32.44 C ATOM 585 CG2 ILE A 39 9.602 -29.848 12.564 1.00 24.24 C ATOM 586 CD1 ILE A 39 9.391 -29.331 9.438 1.00 45.32 C ATOM 0 H ILE A 39 5.868 -29.326 11.120 1.00 5.41 H new ATOM 0 HA ILE A 39 7.344 -31.443 12.456 1.00 43.12 H new ATOM 0 HB ILE A 39 8.126 -28.606 11.655 1.00 74.04 H new ATOM 0 HG12 ILE A 39 9.022 -31.204 10.387 1.00 32.44 H new ATOM 0 HG13 ILE A 39 7.577 -30.373 9.849 1.00 32.44 H new ATOM 0 HG21 ILE A 39 10.437 -29.348 12.072 1.00 24.24 H new ATOM 0 HG22 ILE A 39 9.449 -29.412 13.551 1.00 24.24 H new ATOM 0 HG23 ILE A 39 9.825 -30.910 12.667 1.00 24.24 H new ATOM 0 HD11 ILE A 39 9.496 -29.786 8.453 1.00 45.32 H new ATOM 0 HD12 ILE A 39 8.908 -28.359 9.339 1.00 45.32 H new ATOM 0 HD13 ILE A 39 10.377 -29.203 9.886 1.00 45.32 H new ATOM 598 N ASP A 40 7.422 -30.604 14.807 1.00 61.20 N ATOM 599 CA ASP A 40 7.330 -30.195 16.203 1.00 24.44 C ATOM 600 C ASP A 40 8.347 -30.945 17.057 1.00 75.15 C ATOM 601 O ASP A 40 8.424 -32.172 17.014 1.00 21.14 O ATOM 602 CB ASP A 40 5.917 -30.440 16.736 1.00 21.12 C ATOM 603 CG ASP A 40 5.570 -31.915 16.797 1.00 61.13 C ATOM 604 OD1 ASP A 40 5.471 -32.546 15.723 1.00 32.42 O ATOM 605 OD2 ASP A 40 5.398 -32.439 17.917 1.00 33.42 O1- ATOM 0 H ASP A 40 7.840 -31.523 14.663 1.00 61.20 H new ATOM 0 HA ASP A 40 7.551 -29.129 16.259 1.00 24.44 H new ATOM 0 HB2 ASP A 40 5.827 -30.007 17.732 1.00 21.12 H new ATOM 0 HB3 ASP A 40 5.197 -29.926 16.099 1.00 21.12 H new ATOM 610 N GLY A 41 9.128 -30.197 17.832 1.00 21.24 N ATOM 611 CA GLY A 41 10.132 -30.809 18.683 1.00 13.12 C ATOM 612 C GLY A 41 10.878 -29.791 19.523 1.00 54.42 C ATOM 613 O GLY A 41 10.272 -28.877 20.083 1.00 31.04 O ATOM 0 H GLY A 41 9.083 -29.179 17.885 1.00 21.24 H new ATOM 0 HA2 GLY A 41 9.654 -31.536 19.339 1.00 13.12 H new ATOM 0 HA3 GLY A 41 10.843 -31.357 18.065 1.00 13.12 H new ATOM 617 N GLU A 42 12.194 -29.951 19.614 1.00 64.11 N ATOM 618 CA GLU A 42 13.021 -29.040 20.394 1.00 65.43 C ATOM 619 C GLU A 42 13.523 -27.885 19.532 1.00 12.22 C ATOM 620 O GLU A 42 14.530 -28.011 18.835 1.00 14.12 O ATOM 621 CB GLU A 42 14.208 -29.787 21.006 1.00 1.43 C ATOM 622 CG GLU A 42 13.851 -30.580 22.253 1.00 20.13 C ATOM 623 CD GLU A 42 15.062 -31.221 22.902 1.00 40.20 C ATOM 624 OE1 GLU A 42 14.873 -32.055 23.811 1.00 2.41 O ATOM 625 OE2 GLU A 42 16.197 -30.890 22.500 1.00 21.53 O1- ATOM 0 H GLU A 42 12.710 -30.703 19.157 1.00 64.11 H new ATOM 0 HA GLU A 42 12.406 -28.632 21.196 1.00 65.43 H new ATOM 0 HB2 GLU A 42 14.623 -30.465 20.261 1.00 1.43 H new ATOM 0 HB3 GLU A 42 14.990 -29.069 21.254 1.00 1.43 H new ATOM 0 HG2 GLU A 42 13.364 -29.921 22.972 1.00 20.13 H new ATOM 0 HG3 GLU A 42 13.130 -31.355 21.992 1.00 20.13 H new ATOM 632 N TRP A 43 12.814 -26.764 19.583 1.00 12.33 N ATOM 633 CA TRP A 43 13.187 -25.588 18.806 1.00 44.33 C ATOM 634 C TRP A 43 14.243 -24.764 19.536 1.00 24.52 C ATOM 635 O TRP A 43 13.993 -24.234 20.619 1.00 14.53 O ATOM 636 CB TRP A 43 11.956 -24.726 18.524 1.00 25.15 C ATOM 637 CG TRP A 43 11.235 -25.113 17.268 1.00 35.14 C ATOM 638 CD1 TRP A 43 10.399 -26.181 17.099 1.00 73.03 C ATOM 639 CD2 TRP A 43 11.285 -24.439 16.006 1.00 24.03 C ATOM 640 NE1 TRP A 43 9.928 -26.210 15.809 1.00 43.32 N ATOM 641 CE2 TRP A 43 10.456 -25.152 15.118 1.00 4.35 C ATOM 642 CE3 TRP A 43 11.949 -23.301 15.541 1.00 72.51 C ATOM 643 CZ2 TRP A 43 10.277 -24.763 13.793 1.00 45.31 C ATOM 644 CZ3 TRP A 43 11.770 -22.916 14.225 1.00 3.34 C ATOM 645 CH2 TRP A 43 10.939 -23.645 13.365 1.00 12.41 C ATOM 0 H TRP A 43 11.977 -26.644 20.154 1.00 12.33 H new ATOM 0 HA TRP A 43 13.609 -25.928 17.860 1.00 44.33 H new ATOM 0 HB2 TRP A 43 11.269 -24.800 19.367 1.00 25.15 H new ATOM 0 HB3 TRP A 43 12.261 -23.682 18.452 1.00 25.15 H new ATOM 0 HD1 TRP A 43 10.146 -26.897 17.867 1.00 73.03 H new ATOM 0 HE1 TRP A 43 9.288 -26.907 15.427 1.00 43.32 H new ATOM 0 HE3 TRP A 43 12.591 -22.732 16.198 1.00 72.51 H new ATOM 0 HZ2 TRP A 43 9.638 -25.324 13.127 1.00 45.31 H new ATOM 0 HZ3 TRP A 43 12.279 -22.039 13.854 1.00 3.34 H new ATOM 0 HH2 TRP A 43 10.818 -23.318 12.343 1.00 12.41 H new ATOM 656 N THR A 44 15.426 -24.660 18.937 1.00 34.53 N ATOM 657 CA THR A 44 16.519 -23.901 19.530 1.00 65.03 C ATOM 658 C THR A 44 16.806 -22.634 18.733 1.00 54.41 C ATOM 659 O THR A 44 16.225 -22.412 17.671 1.00 30.31 O ATOM 660 CB THR A 44 17.805 -24.744 19.615 1.00 61.21 C ATOM 661 OG1 THR A 44 18.372 -24.904 18.310 1.00 24.22 O ATOM 662 CG2 THR A 44 17.520 -26.110 20.221 1.00 35.31 C ATOM 0 H THR A 44 15.651 -25.093 18.041 1.00 34.53 H new ATOM 0 HA THR A 44 16.205 -23.628 20.537 1.00 65.03 H new ATOM 0 HB THR A 44 18.513 -24.221 20.258 1.00 61.21 H new ATOM 0 HG1 THR A 44 17.653 -24.970 17.647 1.00 24.22 H new ATOM 0 HG21 THR A 44 18.444 -26.686 20.270 1.00 35.31 H new ATOM 0 HG22 THR A 44 17.116 -25.985 21.226 1.00 35.31 H new ATOM 0 HG23 THR A 44 16.795 -26.639 19.602 1.00 35.31 H new ATOM 670 N TYR A 45 17.706 -21.807 19.251 1.00 42.04 N ATOM 671 CA TYR A 45 18.070 -20.559 18.588 1.00 11.43 C ATOM 672 C TYR A 45 19.439 -20.075 19.053 1.00 51.14 C ATOM 673 O TYR A 45 19.807 -20.237 20.216 1.00 5.30 O ATOM 674 CB TYR A 45 17.016 -19.486 18.862 1.00 44.21 C ATOM 675 CG TYR A 45 17.020 -18.984 20.290 1.00 0.20 C ATOM 676 CD1 TYR A 45 17.465 -17.705 20.596 1.00 21.12 C ATOM 677 CD2 TYR A 45 16.579 -19.792 21.332 1.00 61.13 C ATOM 678 CE1 TYR A 45 17.471 -17.243 21.898 1.00 52.42 C ATOM 679 CE2 TYR A 45 16.579 -19.338 22.636 1.00 11.21 C ATOM 680 CZ TYR A 45 17.027 -18.063 22.915 1.00 74.21 C ATOM 681 OH TYR A 45 17.031 -17.607 24.213 1.00 75.43 O ATOM 0 H TYR A 45 18.198 -21.977 20.128 1.00 42.04 H new ATOM 0 HA TYR A 45 18.117 -20.747 17.515 1.00 11.43 H new ATOM 0 HB2 TYR A 45 17.183 -18.645 18.189 1.00 44.21 H new ATOM 0 HB3 TYR A 45 16.030 -19.889 18.630 1.00 44.21 H new ATOM 0 HD1 TYR A 45 17.812 -17.060 19.802 1.00 21.12 H new ATOM 0 HD2 TYR A 45 16.231 -20.792 21.118 1.00 61.13 H new ATOM 0 HE1 TYR A 45 17.821 -16.245 22.119 1.00 52.42 H new ATOM 0 HE2 TYR A 45 16.230 -19.977 23.433 1.00 11.21 H new ATOM 0 HH TYR A 45 16.687 -18.307 24.807 1.00 75.43 H new ATOM 691 N ASP A 46 20.191 -19.478 18.133 1.00 21.33 N ATOM 692 CA ASP A 46 21.520 -18.967 18.447 1.00 1.32 C ATOM 693 C ASP A 46 21.586 -17.457 18.235 1.00 61.15 C ATOM 694 O ASP A 46 21.155 -16.947 17.203 1.00 72.22 O ATOM 695 CB ASP A 46 22.574 -19.662 17.583 1.00 43.44 C ATOM 696 CG ASP A 46 23.169 -20.880 18.263 1.00 51.23 C ATOM 697 OD1 ASP A 46 23.270 -21.936 17.605 1.00 21.34 O ATOM 698 OD2 ASP A 46 23.533 -20.776 19.452 1.00 62.22 O1- ATOM 0 H ASP A 46 19.902 -19.337 17.165 1.00 21.33 H new ATOM 0 HA ASP A 46 21.725 -19.178 19.497 1.00 1.32 H new ATOM 0 HB2 ASP A 46 22.124 -19.962 16.637 1.00 43.44 H new ATOM 0 HB3 ASP A 46 23.370 -18.956 17.348 1.00 43.44 H new ATOM 703 N ASP A 47 22.128 -16.751 19.221 1.00 41.54 N ATOM 704 CA ASP A 47 22.251 -15.299 19.143 1.00 4.41 C ATOM 705 C ASP A 47 23.580 -14.899 18.512 1.00 62.25 C ATOM 706 O ASP A 47 23.705 -13.818 17.939 1.00 5.11 O ATOM 707 CB ASP A 47 22.126 -14.681 20.536 1.00 71.13 C ATOM 708 CG ASP A 47 22.092 -13.165 20.495 1.00 1.25 C ATOM 709 OD1 ASP A 47 20.980 -12.597 20.461 1.00 61.20 O ATOM 710 OD2 ASP A 47 23.176 -12.548 20.501 1.00 74.15 O1- ATOM 0 H ASP A 47 22.489 -17.159 20.083 1.00 41.54 H new ATOM 0 HA ASP A 47 21.444 -14.923 18.514 1.00 4.41 H new ATOM 0 HB2 ASP A 47 21.218 -15.049 21.014 1.00 71.13 H new ATOM 0 HB3 ASP A 47 22.965 -15.006 21.152 1.00 71.13 H new ATOM 715 N ALA A 48 24.570 -15.778 18.624 1.00 25.10 N ATOM 716 CA ALA A 48 25.890 -15.517 18.064 1.00 40.24 C ATOM 717 C ALA A 48 25.936 -15.867 16.579 1.00 31.42 C ATOM 718 O ALA A 48 26.492 -15.122 15.772 1.00 53.32 O ATOM 719 CB ALA A 48 26.950 -16.299 18.824 1.00 4.21 C ATOM 0 H ALA A 48 24.483 -16.677 19.098 1.00 25.10 H new ATOM 0 HA ALA A 48 26.096 -14.452 18.167 1.00 40.24 H new ATOM 0 HB1 ALA A 48 27.931 -16.094 18.395 1.00 4.21 H new ATOM 0 HB2 ALA A 48 26.943 -15.998 19.872 1.00 4.21 H new ATOM 0 HB3 ALA A 48 26.737 -17.366 18.751 1.00 4.21 H new ATOM 725 N THR A 49 25.346 -17.004 16.226 1.00 12.11 N ATOM 726 CA THR A 49 25.322 -17.453 14.839 1.00 74.11 C ATOM 727 C THR A 49 24.066 -16.967 14.126 1.00 70.20 C ATOM 728 O THR A 49 24.004 -16.950 12.897 1.00 32.42 O ATOM 729 CB THR A 49 25.390 -18.989 14.745 1.00 24.41 C ATOM 730 OG1 THR A 49 24.140 -19.561 15.144 1.00 1.21 O ATOM 731 CG2 THR A 49 26.507 -19.536 15.623 1.00 41.21 C ATOM 0 H THR A 49 24.878 -17.631 16.881 1.00 12.11 H new ATOM 0 HA THR A 49 26.200 -17.027 14.353 1.00 74.11 H new ATOM 0 HB THR A 49 25.598 -19.258 13.709 1.00 24.41 H new ATOM 0 HG1 THR A 49 24.192 -20.538 15.080 1.00 1.21 H new ATOM 0 HG21 THR A 49 26.536 -20.622 15.540 1.00 41.21 H new ATOM 0 HG22 THR A 49 27.461 -19.122 15.298 1.00 41.21 H new ATOM 0 HG23 THR A 49 26.325 -19.256 16.660 1.00 41.21 H new ATOM 739 N LYS A 50 23.064 -16.570 14.906 1.00 21.45 N ATOM 740 CA LYS A 50 21.809 -16.081 14.349 1.00 24.50 C ATOM 741 C LYS A 50 21.162 -17.135 13.456 1.00 44.50 C ATOM 742 O LYS A 50 20.639 -16.821 12.386 1.00 62.24 O ATOM 743 CB LYS A 50 22.046 -14.797 13.552 1.00 43.32 C ATOM 744 CG LYS A 50 22.173 -13.557 14.419 1.00 63.34 C ATOM 745 CD LYS A 50 20.891 -13.280 15.186 1.00 34.24 C ATOM 746 CE LYS A 50 20.771 -11.811 15.561 1.00 43.43 C ATOM 747 NZ LYS A 50 21.893 -11.368 16.436 1.00 51.44 N1+ ATOM 0 H LYS A 50 23.098 -16.578 15.925 1.00 21.45 H new ATOM 0 HA LYS A 50 21.133 -15.867 15.177 1.00 24.50 H new ATOM 0 HB2 LYS A 50 22.954 -14.910 12.959 1.00 43.32 H new ATOM 0 HB3 LYS A 50 21.223 -14.657 12.851 1.00 43.32 H new ATOM 0 HG2 LYS A 50 22.997 -13.685 15.120 1.00 63.34 H new ATOM 0 HG3 LYS A 50 22.417 -12.698 13.794 1.00 63.34 H new ATOM 0 HD2 LYS A 50 20.033 -13.573 14.581 1.00 34.24 H new ATOM 0 HD3 LYS A 50 20.867 -13.890 16.089 1.00 34.24 H new ATOM 0 HE2 LYS A 50 20.756 -11.205 14.655 1.00 43.43 H new ATOM 0 HE3 LYS A 50 19.823 -11.643 16.073 1.00 43.43 H new ATOM 0 HZ1 LYS A 50 21.519 -10.785 17.212 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 22.376 -12.201 16.830 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 22.569 -10.808 15.878 1.00 51.44 H new ATOM 761 N THR A 51 21.200 -18.388 13.901 1.00 11.32 N ATOM 762 CA THR A 51 20.618 -19.487 13.142 1.00 1.22 C ATOM 763 C THR A 51 19.672 -20.311 14.007 1.00 61.11 C ATOM 764 O THR A 51 19.912 -20.501 15.199 1.00 14.31 O ATOM 765 CB THR A 51 21.708 -20.412 12.568 1.00 32.44 C ATOM 766 OG1 THR A 51 22.562 -19.675 11.685 1.00 5.41 O ATOM 767 CG2 THR A 51 21.086 -21.582 11.821 1.00 11.53 C ATOM 0 H THR A 51 21.628 -18.666 14.784 1.00 11.32 H new ATOM 0 HA THR A 51 20.059 -19.042 12.319 1.00 1.22 H new ATOM 0 HB THR A 51 22.296 -20.803 13.398 1.00 32.44 H new ATOM 0 HG1 THR A 51 23.253 -20.270 11.326 1.00 5.41 H new ATOM 0 HG21 THR A 51 21.875 -22.221 11.425 1.00 11.53 H new ATOM 0 HG22 THR A 51 20.461 -22.158 12.503 1.00 11.53 H new ATOM 0 HG23 THR A 51 20.476 -21.206 10.999 1.00 11.53 H new ATOM 775 N PHE A 52 18.596 -20.799 13.398 1.00 30.20 N ATOM 776 CA PHE A 52 17.612 -21.604 14.114 1.00 4.54 C ATOM 777 C PHE A 52 17.774 -23.084 13.778 1.00 30.30 C ATOM 778 O PHE A 52 18.114 -23.445 12.651 1.00 21.14 O ATOM 779 CB PHE A 52 16.196 -21.142 13.767 1.00 12.04 C ATOM 780 CG PHE A 52 15.790 -19.877 14.468 1.00 74.44 C ATOM 781 CD1 PHE A 52 15.050 -19.924 15.639 1.00 35.05 C ATOM 782 CD2 PHE A 52 16.148 -18.640 13.957 1.00 63.21 C ATOM 783 CE1 PHE A 52 14.674 -18.763 16.286 1.00 30.21 C ATOM 784 CE2 PHE A 52 15.777 -17.476 14.599 1.00 0.41 C ATOM 785 CZ PHE A 52 15.037 -17.536 15.764 1.00 61.44 C ATOM 0 H PHE A 52 18.383 -20.651 12.411 1.00 30.20 H new ATOM 0 HA PHE A 52 17.778 -21.472 15.183 1.00 4.54 H new ATOM 0 HB2 PHE A 52 16.126 -20.990 12.690 1.00 12.04 H new ATOM 0 HB3 PHE A 52 15.491 -21.933 14.024 1.00 12.04 H new ATOM 0 HD1 PHE A 52 14.764 -20.881 16.051 1.00 35.05 H new ATOM 0 HD2 PHE A 52 16.724 -18.586 13.045 1.00 63.21 H new ATOM 0 HE1 PHE A 52 14.098 -18.814 17.198 1.00 30.21 H new ATOM 0 HE2 PHE A 52 16.065 -16.519 14.191 1.00 0.41 H new ATOM 0 HZ PHE A 52 14.743 -16.626 16.266 1.00 61.44 H new ATOM 795 N THR A 53 17.527 -23.939 14.766 1.00 0.11 N ATOM 796 CA THR A 53 17.646 -25.380 14.579 1.00 21.01 C ATOM 797 C THR A 53 16.650 -26.132 15.453 1.00 13.54 C ATOM 798 O THR A 53 16.585 -25.917 16.664 1.00 65.33 O ATOM 799 CB THR A 53 19.069 -25.873 14.900 1.00 71.55 C ATOM 800 OG1 THR A 53 20.031 -25.092 14.183 1.00 33.14 O ATOM 801 CG2 THR A 53 19.227 -27.342 14.537 1.00 42.43 C ATOM 0 H THR A 53 17.243 -23.658 15.705 1.00 0.11 H new ATOM 0 HA THR A 53 17.428 -25.581 13.530 1.00 21.01 H new ATOM 0 HB THR A 53 19.237 -25.760 15.971 1.00 71.55 H new ATOM 0 HG1 THR A 53 20.933 -25.411 14.394 1.00 33.14 H new ATOM 0 HG21 THR A 53 20.240 -27.668 14.773 1.00 42.43 H new ATOM 0 HG22 THR A 53 18.513 -27.936 15.107 1.00 42.43 H new ATOM 0 HG23 THR A 53 19.041 -27.475 13.471 1.00 42.43 H new ATOM 809 N VAL A 54 15.875 -27.017 14.833 1.00 41.10 N ATOM 810 CA VAL A 54 14.883 -27.804 15.557 1.00 72.00 C ATOM 811 C VAL A 54 15.222 -29.289 15.515 1.00 45.11 C ATOM 812 O VAL A 54 15.387 -29.870 14.441 1.00 12.34 O ATOM 813 CB VAL A 54 13.470 -27.594 14.979 1.00 0.11 C ATOM 814 CG1 VAL A 54 13.446 -27.925 13.494 1.00 3.22 C ATOM 815 CG2 VAL A 54 12.455 -28.435 15.738 1.00 74.40 C ATOM 0 H VAL A 54 15.915 -27.207 13.832 1.00 41.10 H new ATOM 0 HA VAL A 54 14.900 -27.460 16.591 1.00 72.00 H new ATOM 0 HB VAL A 54 13.199 -26.545 15.097 1.00 0.11 H new ATOM 0 HG11 VAL A 54 12.440 -27.771 13.103 1.00 3.22 H new ATOM 0 HG12 VAL A 54 14.144 -27.276 12.965 1.00 3.22 H new ATOM 0 HG13 VAL A 54 13.736 -28.965 13.348 1.00 3.22 H new ATOM 0 HG21 VAL A 54 11.462 -28.275 15.317 1.00 74.40 H new ATOM 0 HG22 VAL A 54 12.720 -29.489 15.653 1.00 74.40 H new ATOM 0 HG23 VAL A 54 12.455 -28.145 16.789 1.00 74.40 H new ATOM 825 N THR A 55 15.326 -29.901 16.690 1.00 72.33 N ATOM 826 CA THR A 55 15.647 -31.318 16.789 1.00 3.13 C ATOM 827 C THR A 55 14.386 -32.155 16.983 1.00 12.32 C ATOM 828 O THR A 55 13.741 -32.086 18.027 1.00 74.03 O ATOM 829 CB THR A 55 16.617 -31.596 17.952 1.00 4.31 C ATOM 830 OG1 THR A 55 17.555 -30.520 18.075 1.00 72.43 O ATOM 831 CG2 THR A 55 17.363 -32.904 17.736 1.00 14.14 C ATOM 0 H THR A 55 15.192 -29.436 17.588 1.00 72.33 H new ATOM 0 HA THR A 55 16.127 -31.599 15.851 1.00 3.13 H new ATOM 0 HB THR A 55 16.034 -31.677 18.870 1.00 4.31 H new ATOM 0 HG1 THR A 55 18.167 -30.703 18.818 1.00 72.43 H new ATOM 0 HG21 THR A 55 18.042 -33.078 18.571 1.00 14.14 H new ATOM 0 HG22 THR A 55 16.648 -33.724 17.673 1.00 14.14 H new ATOM 0 HG23 THR A 55 17.934 -32.848 16.809 1.00 14.14 H new ATOM 839 N GLU A 56 14.044 -32.945 15.969 1.00 21.23 N ATOM 840 CA GLU A 56 12.861 -33.794 16.030 1.00 55.12 C ATOM 841 C GLU A 56 13.206 -35.168 16.596 1.00 33.02 C ATOM 842 O GLU A 56 14.360 -35.445 16.921 1.00 51.44 O ATOM 843 CB GLU A 56 12.241 -33.945 14.638 1.00 55.30 C ATOM 844 CG GLU A 56 11.204 -32.882 14.316 1.00 43.44 C ATOM 845 CD GLU A 56 10.280 -33.293 13.186 1.00 30.12 C ATOM 846 OE1 GLU A 56 9.068 -33.449 13.441 1.00 71.33 O ATOM 847 OE2 GLU A 56 10.769 -33.461 12.050 1.00 70.21 O1- ATOM 0 H GLU A 56 14.569 -33.014 15.097 1.00 21.23 H new ATOM 0 HA GLU A 56 12.138 -33.318 16.692 1.00 55.12 H new ATOM 0 HB2 GLU A 56 13.033 -33.906 13.890 1.00 55.30 H new ATOM 0 HB3 GLU A 56 11.777 -34.928 14.561 1.00 55.30 H new ATOM 0 HG2 GLU A 56 10.612 -32.675 15.208 1.00 43.44 H new ATOM 0 HG3 GLU A 56 11.710 -31.955 14.047 1.00 43.44 H new