USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD Set 1.1: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 26 SER OG : rot -160:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 121:sc= 0.161 (180deg=-0.522) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.046) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -120:sc= -0.323 USER MOD Single : A 39 SER OG : rot 130:sc= -0.745 USER MOD Single : A 43 THR OG1 : rot 91:sc= -1.37! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= -0.126 (180deg=-0.6) USER MOD Single : A 52 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.6) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0436) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.452 0.128 -0.051 1.00 42.35 N ATOM 2 CA LEU A 1 2.303 0.127 -1.237 1.00 0.45 C ATOM 3 C LEU A 1 2.240 -1.219 -1.951 1.00 52.42 C ATOM 4 O LEU A 1 1.960 -1.285 -3.148 1.00 73.41 O ATOM 5 CB LEU A 1 3.749 0.446 -0.851 1.00 33.52 C ATOM 6 CG LEU A 1 4.050 1.909 -0.527 1.00 4.12 C ATOM 7 CD1 LEU A 1 5.514 2.082 -0.150 1.00 35.34 C ATOM 8 CD2 LEU A 1 3.693 2.801 -1.707 1.00 2.22 C ATOM 0 H1 LEU A 1 2.029 0.329 0.790 1.00 42.35 H new ATOM 0 HA LEU A 1 1.937 0.896 -1.918 1.00 0.45 H new ATOM 0 HB2 LEU A 1 4.014 -0.159 0.016 1.00 33.52 H new ATOM 0 HB3 LEU A 1 4.399 0.135 -1.668 1.00 33.52 H new ATOM 0 HG LEU A 1 3.439 2.206 0.325 1.00 4.12 H new ATOM 0 HD11 LEU A 1 5.710 3.130 0.077 1.00 35.34 H new ATOM 0 HD12 LEU A 1 5.739 1.473 0.725 1.00 35.34 H new ATOM 0 HD13 LEU A 1 6.144 1.768 -0.982 1.00 35.34 H new ATOM 0 HD21 LEU A 1 3.914 3.839 -1.458 1.00 2.22 H new ATOM 0 HD22 LEU A 1 4.278 2.504 -2.578 1.00 2.22 H new ATOM 0 HD23 LEU A 1 2.631 2.700 -1.931 1.00 2.22 H new ATOM 20 N VAL A 2 2.500 -2.290 -1.209 1.00 1.04 N ATOM 21 CA VAL A 2 2.470 -3.635 -1.770 1.00 74.22 C ATOM 22 C VAL A 2 1.071 -3.995 -2.260 1.00 44.53 C ATOM 23 O VAL A 2 0.897 -4.451 -3.390 1.00 13.52 O ATOM 24 CB VAL A 2 2.926 -4.684 -0.739 1.00 35.42 C ATOM 25 CG1 VAL A 2 2.876 -6.081 -1.340 1.00 11.22 C ATOM 26 CG2 VAL A 2 4.324 -4.362 -0.234 1.00 13.22 C ATOM 0 H VAL A 2 2.734 -2.252 -0.217 1.00 1.04 H new ATOM 0 HA VAL A 2 3.161 -3.641 -2.613 1.00 74.22 H new ATOM 0 HB VAL A 2 2.242 -4.655 0.109 1.00 35.42 H new ATOM 0 HG11 VAL A 2 3.202 -6.809 -0.597 1.00 11.22 H new ATOM 0 HG12 VAL A 2 1.855 -6.308 -1.648 1.00 11.22 H new ATOM 0 HG13 VAL A 2 3.535 -6.128 -2.207 1.00 11.22 H new ATOM 0 HG21 VAL A 2 4.630 -5.114 0.494 1.00 13.22 H new ATOM 0 HG22 VAL A 2 5.022 -4.362 -1.071 1.00 13.22 H new ATOM 0 HG23 VAL A 2 4.323 -3.379 0.238 1.00 13.22 H new ATOM 36 N ALA A 3 0.078 -3.785 -1.403 1.00 32.33 N ATOM 37 CA ALA A 3 -1.306 -4.085 -1.749 1.00 40.31 C ATOM 38 C ALA A 3 -1.790 -3.199 -2.892 1.00 64.15 C ATOM 39 O ALA A 3 -2.657 -3.594 -3.672 1.00 13.41 O ATOM 40 CB ALA A 3 -2.203 -3.915 -0.532 1.00 72.40 C ATOM 0 H ALA A 3 0.206 -3.408 -0.464 1.00 32.33 H new ATOM 0 HA ALA A 3 -1.355 -5.122 -2.081 1.00 40.31 H new ATOM 0 HB1 ALA A 3 -3.234 -4.142 -0.805 1.00 72.40 H new ATOM 0 HB2 ALA A 3 -1.878 -4.594 0.257 1.00 72.40 H new ATOM 0 HB3 ALA A 3 -2.141 -2.887 -0.175 1.00 72.40 H new ATOM 46 N TYR A 4 -1.224 -2.001 -2.986 1.00 42.04 N ATOM 47 CA TYR A 4 -1.600 -1.058 -4.033 1.00 60.11 C ATOM 48 C TYR A 4 -1.032 -1.487 -5.382 1.00 44.25 C ATOM 49 O TYR A 4 -1.743 -1.521 -6.386 1.00 24.22 O ATOM 50 CB TYR A 4 -1.108 0.347 -3.683 1.00 51.43 C ATOM 51 CG TYR A 4 -1.335 1.360 -4.783 1.00 70.43 C ATOM 52 CD1 TYR A 4 -2.586 1.929 -4.983 1.00 54.13 C ATOM 53 CD2 TYR A 4 -0.297 1.747 -5.622 1.00 53.13 C ATOM 54 CE1 TYR A 4 -2.798 2.854 -5.988 1.00 32.44 C ATOM 55 CE2 TYR A 4 -0.500 2.672 -6.628 1.00 44.13 C ATOM 56 CZ TYR A 4 -1.752 3.222 -6.807 1.00 42.03 C ATOM 57 OH TYR A 4 -1.958 4.144 -7.808 1.00 34.30 O ATOM 0 H TYR A 4 -0.503 -1.660 -2.350 1.00 42.04 H new ATOM 0 HA TYR A 4 -2.688 -1.048 -4.104 1.00 60.11 H new ATOM 0 HB2 TYR A 4 -1.614 0.685 -2.779 1.00 51.43 H new ATOM 0 HB3 TYR A 4 -0.043 0.304 -3.455 1.00 51.43 H new ATOM 0 HD1 TYR A 4 -3.407 1.644 -4.342 1.00 54.13 H new ATOM 0 HD2 TYR A 4 0.685 1.318 -5.485 1.00 53.13 H new ATOM 0 HE1 TYR A 4 -3.778 3.286 -6.131 1.00 32.44 H new ATOM 0 HE2 TYR A 4 0.318 2.963 -7.271 1.00 44.13 H new ATOM 0 HH TYR A 4 -1.119 4.294 -8.293 1.00 34.30 H new ATOM 67 N GLY A 5 0.257 -1.814 -5.398 1.00 1.14 N ATOM 68 CA GLY A 5 0.901 -2.237 -6.628 1.00 13.33 C ATOM 69 C GLY A 5 2.410 -2.104 -6.568 1.00 35.32 C ATOM 70 O GLY A 5 3.131 -2.836 -7.246 1.00 72.41 O ATOM 0 H GLY A 5 0.867 -1.793 -4.581 1.00 1.14 H new ATOM 0 HA2 GLY A 5 0.639 -3.275 -6.833 1.00 13.33 H new ATOM 0 HA3 GLY A 5 0.520 -1.642 -7.458 1.00 13.33 H new ATOM 74 N ILE A 6 2.888 -1.168 -5.756 1.00 12.42 N ATOM 75 CA ILE A 6 4.321 -0.942 -5.611 1.00 54.21 C ATOM 76 C ILE A 6 5.034 -2.210 -5.154 1.00 54.11 C ATOM 77 O ILE A 6 4.549 -2.925 -4.278 1.00 74.42 O ATOM 78 CB ILE A 6 4.614 0.189 -4.607 1.00 73.32 C ATOM 79 CG1 ILE A 6 3.944 1.488 -5.059 1.00 44.23 C ATOM 80 CG2 ILE A 6 6.115 0.385 -4.454 1.00 14.01 C ATOM 81 CD1 ILE A 6 4.374 1.941 -6.437 1.00 53.32 C ATOM 0 H ILE A 6 2.304 -0.554 -5.188 1.00 12.42 H new ATOM 0 HA ILE A 6 4.695 -0.651 -6.592 1.00 54.21 H new ATOM 0 HB ILE A 6 4.203 -0.090 -3.637 1.00 73.32 H new ATOM 0 HG12 ILE A 6 2.863 1.352 -5.051 1.00 44.23 H new ATOM 0 HG13 ILE A 6 4.171 2.274 -4.339 1.00 44.23 H new ATOM 0 HG21 ILE A 6 6.306 1.187 -3.742 1.00 14.01 H new ATOM 0 HG22 ILE A 6 6.567 -0.538 -4.091 1.00 14.01 H new ATOM 0 HG23 ILE A 6 6.548 0.646 -5.420 1.00 14.01 H new ATOM 0 HD11 ILE A 6 3.860 2.867 -6.692 1.00 53.32 H new ATOM 0 HD12 ILE A 6 5.451 2.110 -6.445 1.00 53.32 H new ATOM 0 HD13 ILE A 6 4.122 1.173 -7.168 1.00 53.32 H new ATOM 93 N ALA A 7 6.189 -2.481 -5.752 1.00 52.15 N ATOM 94 CA ALA A 7 6.971 -3.660 -5.404 1.00 62.53 C ATOM 95 C ALA A 7 7.197 -3.744 -3.899 1.00 25.44 C ATOM 96 O ALA A 7 7.452 -2.734 -3.243 1.00 73.24 O ATOM 97 CB ALA A 7 8.303 -3.647 -6.140 1.00 51.41 C ATOM 0 H ALA A 7 6.604 -1.900 -6.480 1.00 52.15 H new ATOM 0 HA ALA A 7 6.408 -4.542 -5.710 1.00 62.53 H new ATOM 0 HB1 ALA A 7 8.876 -4.534 -5.870 1.00 51.41 H new ATOM 0 HB2 ALA A 7 8.125 -3.644 -7.215 1.00 51.41 H new ATOM 0 HB3 ALA A 7 8.863 -2.754 -5.862 1.00 51.41 H new ATOM 103 N GLN A 8 7.102 -4.954 -3.357 1.00 65.41 N ATOM 104 CA GLN A 8 7.296 -5.168 -1.928 1.00 33.52 C ATOM 105 C GLN A 8 8.746 -4.916 -1.531 1.00 3.54 C ATOM 106 O GLN A 8 9.020 -4.292 -0.506 1.00 62.01 O ATOM 107 CB GLN A 8 6.891 -6.593 -1.545 1.00 15.14 C ATOM 108 CG GLN A 8 7.629 -7.667 -2.327 1.00 41.20 C ATOM 109 CD GLN A 8 6.795 -8.915 -2.534 1.00 71.55 C ATOM 110 OE1 GLN A 8 6.173 -9.094 -3.582 1.00 43.23 O ATOM 111 NE2 GLN A 8 6.777 -9.789 -1.534 1.00 40.32 N ATOM 0 H GLN A 8 6.892 -5.801 -3.886 1.00 65.41 H new ATOM 0 HA GLN A 8 6.664 -4.461 -1.392 1.00 33.52 H new ATOM 0 HB2 GLN A 8 7.074 -6.740 -0.481 1.00 15.14 H new ATOM 0 HB3 GLN A 8 5.819 -6.712 -1.703 1.00 15.14 H new ATOM 0 HG2 GLN A 8 7.924 -7.267 -3.297 1.00 41.20 H new ATOM 0 HG3 GLN A 8 8.545 -7.931 -1.799 1.00 41.20 H new ATOM 0 HE21 GLN A 8 7.307 -9.601 -0.683 1.00 40.32 H new ATOM 0 HE22 GLN A 8 6.233 -10.648 -1.617 1.00 40.32 H new ATOM 120 N GLY A 9 9.673 -5.405 -2.349 1.00 51.43 N ATOM 121 CA GLY A 9 11.084 -5.222 -2.066 1.00 4.42 C ATOM 122 C GLY A 9 11.489 -3.761 -2.055 1.00 11.22 C ATOM 123 O GLY A 9 12.189 -3.309 -1.148 1.00 13.32 O ATOM 0 H GLY A 9 9.471 -5.925 -3.203 1.00 51.43 H new ATOM 0 HA2 GLY A 9 11.318 -5.668 -1.099 1.00 4.42 H new ATOM 0 HA3 GLY A 9 11.673 -5.753 -2.813 1.00 4.42 H new ATOM 127 N THR A 10 11.049 -3.019 -3.067 1.00 4.14 N ATOM 128 CA THR A 10 11.372 -1.602 -3.172 1.00 10.53 C ATOM 129 C THR A 10 10.523 -0.772 -2.215 1.00 51.03 C ATOM 130 O THR A 10 10.924 0.313 -1.796 1.00 41.21 O ATOM 131 CB THR A 10 11.163 -1.083 -4.607 1.00 4.20 C ATOM 132 OG1 THR A 10 11.970 -1.834 -5.521 1.00 53.14 O ATOM 133 CG2 THR A 10 11.517 0.393 -4.706 1.00 2.54 C ATOM 0 H THR A 10 10.468 -3.376 -3.825 1.00 4.14 H new ATOM 0 HA THR A 10 12.424 -1.497 -2.905 1.00 10.53 H new ATOM 0 HB THR A 10 10.111 -1.206 -4.865 1.00 4.20 H new ATOM 0 HG1 THR A 10 11.831 -1.499 -6.432 1.00 53.14 H new ATOM 0 HG21 THR A 10 11.361 0.737 -5.729 1.00 2.54 H new ATOM 0 HG22 THR A 10 10.882 0.966 -4.030 1.00 2.54 H new ATOM 0 HG23 THR A 10 12.562 0.536 -4.430 1.00 2.54 H new ATOM 141 N ALA A 11 9.348 -1.290 -1.873 1.00 72.14 N ATOM 142 CA ALA A 11 8.443 -0.598 -0.964 1.00 4.13 C ATOM 143 C ALA A 11 9.162 -0.186 0.317 1.00 52.44 C ATOM 144 O ALA A 11 8.898 0.881 0.870 1.00 1.14 O ATOM 145 CB ALA A 11 7.246 -1.478 -0.639 1.00 74.30 C ATOM 0 H ALA A 11 9.001 -2.187 -2.212 1.00 72.14 H new ATOM 0 HA ALA A 11 8.091 0.306 -1.460 1.00 4.13 H new ATOM 0 HB1 ALA A 11 6.579 -0.948 0.041 1.00 74.30 H new ATOM 0 HB2 ALA A 11 6.711 -1.719 -1.558 1.00 74.30 H new ATOM 0 HB3 ALA A 11 7.589 -2.399 -0.167 1.00 74.30 H new ATOM 151 N GLU A 12 10.070 -1.038 0.781 1.00 33.32 N ATOM 152 CA GLU A 12 10.824 -0.762 1.998 1.00 45.42 C ATOM 153 C GLU A 12 11.853 0.340 1.761 1.00 1.51 C ATOM 154 O GLU A 12 12.154 1.128 2.658 1.00 23.14 O ATOM 155 CB GLU A 12 11.524 -2.030 2.490 1.00 21.30 C ATOM 156 CG GLU A 12 10.573 -3.185 2.758 1.00 44.22 C ATOM 157 CD GLU A 12 11.232 -4.538 2.571 1.00 32.04 C ATOM 158 OE1 GLU A 12 11.982 -4.701 1.586 1.00 32.41 O ATOM 159 OE2 GLU A 12 10.997 -5.433 3.410 1.00 63.23 O ATOM 0 H GLU A 12 10.301 -1.925 0.333 1.00 33.32 H new ATOM 0 HA GLU A 12 10.123 -0.424 2.761 1.00 45.42 H new ATOM 0 HB2 GLU A 12 12.259 -2.340 1.748 1.00 21.30 H new ATOM 0 HB3 GLU A 12 12.071 -1.801 3.404 1.00 21.30 H new ATOM 0 HG2 GLU A 12 10.192 -3.108 3.776 1.00 44.22 H new ATOM 0 HG3 GLU A 12 9.715 -3.107 2.090 1.00 44.22 H new ATOM 166 N LYS A 13 12.390 0.390 0.547 1.00 73.24 N ATOM 167 CA LYS A 13 13.384 1.394 0.189 1.00 1.42 C ATOM 168 C LYS A 13 12.755 2.782 0.121 1.00 2.42 C ATOM 169 O LYS A 13 13.219 3.718 0.773 1.00 22.24 O ATOM 170 CB LYS A 13 14.028 1.048 -1.155 1.00 44.41 C ATOM 171 CG LYS A 13 15.096 -0.028 -1.059 1.00 12.11 C ATOM 172 CD LYS A 13 16.026 0.000 -2.260 1.00 75.14 C ATOM 173 CE LYS A 13 16.612 -1.375 -2.543 1.00 42.31 C ATOM 174 NZ LYS A 13 17.522 -1.824 -1.453 1.00 71.21 N ATOM 0 H LYS A 13 12.153 -0.255 -0.207 1.00 73.24 H new ATOM 0 HA LYS A 13 14.152 1.400 0.962 1.00 1.42 H new ATOM 0 HB2 LYS A 13 13.252 0.717 -1.846 1.00 44.41 H new ATOM 0 HB3 LYS A 13 14.470 1.950 -1.580 1.00 44.41 H new ATOM 0 HG2 LYS A 13 15.675 0.113 -0.146 1.00 12.11 H new ATOM 0 HG3 LYS A 13 14.622 -1.007 -0.988 1.00 12.11 H new ATOM 0 HD2 LYS A 13 15.481 0.352 -3.136 1.00 75.14 H new ATOM 0 HD3 LYS A 13 16.833 0.711 -2.080 1.00 75.14 H new ATOM 0 HE2 LYS A 13 15.804 -2.097 -2.662 1.00 42.31 H new ATOM 0 HE3 LYS A 13 17.159 -1.350 -3.486 1.00 42.31 H new ATOM 0 HZ1 LYS A 13 17.901 -2.765 -1.683 1.00 71.21 H new ATOM 0 HZ2 LYS A 13 18.307 -1.149 -1.356 1.00 71.21 H new ATOM 0 HZ3 LYS A 13 16.994 -1.872 -0.558 1.00 71.21 H new ATOM 188 N VAL A 14 11.695 2.909 -0.671 1.00 65.12 N ATOM 189 CA VAL A 14 11.001 4.182 -0.822 1.00 42.11 C ATOM 190 C VAL A 14 10.629 4.769 0.535 1.00 42.33 C ATOM 191 O VAL A 14 10.644 5.986 0.722 1.00 24.01 O ATOM 192 CB VAL A 14 9.725 4.028 -1.670 1.00 53.31 C ATOM 193 CG1 VAL A 14 10.079 3.726 -3.118 1.00 73.31 C ATOM 194 CG2 VAL A 14 8.830 2.942 -1.093 1.00 71.21 C ATOM 0 H VAL A 14 11.298 2.145 -1.218 1.00 65.12 H new ATOM 0 HA VAL A 14 11.687 4.859 -1.331 1.00 42.11 H new ATOM 0 HB VAL A 14 9.177 4.970 -1.645 1.00 53.31 H new ATOM 0 HG11 VAL A 14 9.165 3.621 -3.702 1.00 73.31 H new ATOM 0 HG12 VAL A 14 10.677 4.542 -3.524 1.00 73.31 H new ATOM 0 HG13 VAL A 14 10.650 2.799 -3.167 1.00 73.31 H new ATOM 0 HG21 VAL A 14 7.933 2.847 -1.705 1.00 71.21 H new ATOM 0 HG22 VAL A 14 9.367 1.993 -1.086 1.00 71.21 H new ATOM 0 HG23 VAL A 14 8.548 3.206 -0.074 1.00 71.21 H new ATOM 204 N VAL A 15 10.295 3.896 1.480 1.00 43.21 N ATOM 205 CA VAL A 15 9.921 4.328 2.821 1.00 35.42 C ATOM 206 C VAL A 15 11.011 5.190 3.446 1.00 43.31 C ATOM 207 O VAL A 15 10.725 6.126 4.192 1.00 5.35 O ATOM 208 CB VAL A 15 9.644 3.124 3.741 1.00 33.31 C ATOM 209 CG1 VAL A 15 9.484 3.579 5.184 1.00 41.24 C ATOM 210 CG2 VAL A 15 8.409 2.368 3.272 1.00 3.23 C ATOM 0 H VAL A 15 10.276 2.886 1.342 1.00 43.21 H new ATOM 0 HA VAL A 15 9.010 4.917 2.720 1.00 35.42 H new ATOM 0 HB VAL A 15 10.497 2.448 3.691 1.00 33.31 H new ATOM 0 HG11 VAL A 15 9.289 2.715 5.819 1.00 41.24 H new ATOM 0 HG12 VAL A 15 10.399 4.072 5.514 1.00 41.24 H new ATOM 0 HG13 VAL A 15 8.650 4.277 5.255 1.00 41.24 H new ATOM 0 HG21 VAL A 15 8.228 1.521 3.933 1.00 3.23 H new ATOM 0 HG22 VAL A 15 7.546 3.034 3.291 1.00 3.23 H new ATOM 0 HG23 VAL A 15 8.567 2.008 2.256 1.00 3.23 H new ATOM 220 N SER A 16 12.263 4.869 3.135 1.00 60.21 N ATOM 221 CA SER A 16 13.398 5.612 3.668 1.00 3.55 C ATOM 222 C SER A 16 13.324 7.082 3.264 1.00 70.44 C ATOM 223 O SER A 16 13.670 7.971 4.043 1.00 62.24 O ATOM 224 CB SER A 16 14.712 5.002 3.176 1.00 32.12 C ATOM 225 OG SER A 16 15.767 5.259 4.087 1.00 74.30 O ATOM 0 H SER A 16 12.517 4.099 2.516 1.00 60.21 H new ATOM 0 HA SER A 16 13.362 5.550 4.756 1.00 3.55 H new ATOM 0 HB2 SER A 16 14.592 3.926 3.048 1.00 32.12 H new ATOM 0 HB3 SER A 16 14.964 5.413 2.198 1.00 32.12 H new ATOM 0 HG SER A 16 16.595 4.857 3.750 1.00 74.30 H new ATOM 231 N LEU A 17 12.870 7.329 2.040 1.00 42.01 N ATOM 232 CA LEU A 17 12.750 8.690 1.529 1.00 14.33 C ATOM 233 C LEU A 17 11.605 9.429 2.214 1.00 14.44 C ATOM 234 O LEU A 17 11.640 10.652 2.359 1.00 62.33 O ATOM 235 CB LEU A 17 12.526 8.671 0.016 1.00 21.52 C ATOM 236 CG LEU A 17 13.710 9.116 -0.843 1.00 71.00 C ATOM 237 CD1 LEU A 17 14.939 8.274 -0.537 1.00 35.41 C ATOM 238 CD2 LEU A 17 13.358 9.032 -2.321 1.00 72.51 C ATOM 0 H LEU A 17 12.579 6.605 1.383 1.00 42.01 H new ATOM 0 HA LEU A 17 13.680 9.216 1.745 1.00 14.33 H new ATOM 0 HB2 LEU A 17 12.250 7.658 -0.278 1.00 21.52 H new ATOM 0 HB3 LEU A 17 11.675 9.312 -0.213 1.00 21.52 H new ATOM 0 HG LEU A 17 13.938 10.154 -0.603 1.00 71.00 H new ATOM 0 HD11 LEU A 17 15.771 8.606 -1.158 1.00 35.41 H new ATOM 0 HD12 LEU A 17 15.204 8.386 0.514 1.00 35.41 H new ATOM 0 HD13 LEU A 17 14.724 7.226 -0.748 1.00 35.41 H new ATOM 0 HD21 LEU A 17 14.212 9.352 -2.917 1.00 72.51 H new ATOM 0 HD22 LEU A 17 13.103 8.004 -2.576 1.00 72.51 H new ATOM 0 HD23 LEU A 17 12.507 9.680 -2.530 1.00 72.51 H new ATOM 250 N ILE A 18 10.592 8.680 2.636 1.00 32.31 N ATOM 251 CA ILE A 18 9.438 9.264 3.309 1.00 62.30 C ATOM 252 C ILE A 18 9.834 9.872 4.650 1.00 31.23 C ATOM 253 O ILE A 18 9.494 11.016 4.949 1.00 63.22 O ATOM 254 CB ILE A 18 8.331 8.218 3.539 1.00 64.32 C ATOM 255 CG1 ILE A 18 8.043 7.456 2.244 1.00 74.14 C ATOM 256 CG2 ILE A 18 7.068 8.888 4.058 1.00 4.41 C ATOM 257 CD1 ILE A 18 6.939 6.430 2.379 1.00 1.22 C ATOM 0 H ILE A 18 10.547 7.667 2.524 1.00 32.31 H new ATOM 0 HA ILE A 18 9.055 10.048 2.656 1.00 62.30 H new ATOM 0 HB ILE A 18 8.675 7.506 4.289 1.00 64.32 H new ATOM 0 HG12 ILE A 18 7.772 8.169 1.465 1.00 74.14 H new ATOM 0 HG13 ILE A 18 8.954 6.956 1.916 1.00 74.14 H new ATOM 0 HG21 ILE A 18 6.295 8.135 4.215 1.00 4.41 H new ATOM 0 HG22 ILE A 18 7.284 9.390 5.001 1.00 4.41 H new ATOM 0 HG23 ILE A 18 6.719 9.620 3.330 1.00 4.41 H new ATOM 0 HD11 ILE A 18 6.789 5.929 1.423 1.00 1.22 H new ATOM 0 HD12 ILE A 18 7.216 5.695 3.135 1.00 1.22 H new ATOM 0 HD13 ILE A 18 6.015 6.926 2.677 1.00 1.22 H new ATOM 269 N ASN A 19 10.556 9.098 5.455 1.00 53.14 N ATOM 270 CA ASN A 19 10.999 9.561 6.765 1.00 65.05 C ATOM 271 C ASN A 19 11.793 10.858 6.643 1.00 42.21 C ATOM 272 O ASN A 19 11.793 11.685 7.554 1.00 4.40 O ATOM 273 CB ASN A 19 11.854 8.489 7.445 1.00 54.22 C ATOM 274 CG ASN A 19 11.865 8.631 8.955 1.00 42.44 C ATOM 275 OD1 ASN A 19 12.926 8.660 9.578 1.00 3.23 O ATOM 276 ND2 ASN A 19 10.681 8.721 9.549 1.00 23.24 N ATOM 0 H ASN A 19 10.846 8.148 5.223 1.00 53.14 H new ATOM 0 HA ASN A 19 10.115 9.752 7.374 1.00 65.05 H new ATOM 0 HB2 ASN A 19 11.475 7.502 7.178 1.00 54.22 H new ATOM 0 HB3 ASN A 19 12.875 8.550 7.069 1.00 54.22 H new ATOM 0 HD21 ASN A 19 10.625 8.819 10.563 1.00 23.24 H new ATOM 0 HD22 ASN A 19 9.827 8.692 8.992 1.00 23.24 H new ATOM 283 N ALA A 20 12.468 11.029 5.511 1.00 70.33 N ATOM 284 CA ALA A 20 13.263 12.226 5.268 1.00 25.24 C ATOM 285 C ALA A 20 12.380 13.466 5.192 1.00 54.12 C ATOM 286 O ALA A 20 12.853 14.589 5.360 1.00 41.01 O ATOM 287 CB ALA A 20 14.072 12.072 3.989 1.00 64.11 C ATOM 0 H ALA A 20 12.480 10.353 4.747 1.00 70.33 H new ATOM 0 HA ALA A 20 13.949 12.352 6.106 1.00 25.24 H new ATOM 0 HB1 ALA A 20 14.661 12.974 3.820 1.00 64.11 H new ATOM 0 HB2 ALA A 20 14.739 11.215 4.081 1.00 64.11 H new ATOM 0 HB3 ALA A 20 13.397 11.917 3.148 1.00 64.11 H new ATOM 293 N GLY A 21 11.092 13.255 4.936 1.00 70.11 N ATOM 294 CA GLY A 21 10.163 14.365 4.841 1.00 53.54 C ATOM 295 C GLY A 21 9.939 14.813 3.410 1.00 43.32 C ATOM 296 O GLY A 21 9.456 15.920 3.166 1.00 72.32 O ATOM 0 H GLY A 21 10.676 12.335 4.793 1.00 70.11 H new ATOM 0 HA2 GLY A 21 9.209 14.075 5.281 1.00 53.54 H new ATOM 0 HA3 GLY A 21 10.542 15.203 5.426 1.00 53.54 H new ATOM 300 N LEU A 22 10.293 13.954 2.461 1.00 71.14 N ATOM 301 CA LEU A 22 10.130 14.267 1.045 1.00 11.32 C ATOM 302 C LEU A 22 8.665 14.169 0.631 1.00 62.11 C ATOM 303 O LEU A 22 7.969 13.219 0.991 1.00 13.21 O ATOM 304 CB LEU A 22 10.978 13.322 0.192 1.00 34.13 C ATOM 305 CG LEU A 22 12.425 13.751 -0.048 1.00 43.24 C ATOM 306 CD1 LEU A 22 12.475 14.998 -0.918 1.00 71.21 C ATOM 307 CD2 LEU A 22 13.137 13.993 1.275 1.00 52.22 C ATOM 0 H LEU A 22 10.695 13.035 2.646 1.00 71.14 H new ATOM 0 HA LEU A 22 10.466 15.291 0.884 1.00 11.32 H new ATOM 0 HB2 LEU A 22 10.985 12.342 0.669 1.00 34.13 H new ATOM 0 HB3 LEU A 22 10.490 13.202 -0.775 1.00 34.13 H new ATOM 0 HG LEU A 22 12.940 12.946 -0.572 1.00 43.24 H new ATOM 0 HD11 LEU A 22 13.513 15.289 -1.078 1.00 71.21 H new ATOM 0 HD12 LEU A 22 12.004 14.790 -1.879 1.00 71.21 H new ATOM 0 HD13 LEU A 22 11.944 15.810 -0.421 1.00 71.21 H new ATOM 0 HD21 LEU A 22 14.166 14.298 1.084 1.00 52.22 H new ATOM 0 HD22 LEU A 22 12.622 14.780 1.827 1.00 52.22 H new ATOM 0 HD23 LEU A 22 13.134 13.075 1.863 1.00 52.22 H new ATOM 319 N THR A 23 8.203 15.156 -0.131 1.00 22.14 N ATOM 320 CA THR A 23 6.822 15.180 -0.595 1.00 41.43 C ATOM 321 C THR A 23 6.613 14.206 -1.749 1.00 34.24 C ATOM 322 O THR A 23 7.559 13.843 -2.448 1.00 33.13 O ATOM 323 CB THR A 23 6.407 16.593 -1.050 1.00 22.43 C ATOM 324 OG1 THR A 23 7.350 17.098 -2.002 1.00 31.51 O ATOM 325 CG2 THR A 23 6.321 17.540 0.138 1.00 62.43 C ATOM 0 H THR A 23 8.766 15.949 -0.440 1.00 22.14 H new ATOM 0 HA THR A 23 6.200 14.880 0.248 1.00 41.43 H new ATOM 0 HB THR A 23 5.423 16.527 -1.514 1.00 22.43 H new ATOM 0 HG1 THR A 23 7.078 17.995 -2.287 1.00 31.51 H new ATOM 0 HG21 THR A 23 6.027 18.531 -0.207 1.00 62.43 H new ATOM 0 HG22 THR A 23 5.581 17.168 0.847 1.00 62.43 H new ATOM 0 HG23 THR A 23 7.294 17.600 0.627 1.00 62.43 H new ATOM 333 N VAL A 24 5.367 13.785 -1.943 1.00 53.31 N ATOM 334 CA VAL A 24 5.033 12.854 -3.014 1.00 34.54 C ATOM 335 C VAL A 24 5.578 13.337 -4.353 1.00 20.32 C ATOM 336 O VAL A 24 5.910 12.535 -5.225 1.00 42.52 O ATOM 337 CB VAL A 24 3.510 12.658 -3.133 1.00 35.15 C ATOM 338 CG1 VAL A 24 2.925 12.195 -1.807 1.00 24.43 C ATOM 339 CG2 VAL A 24 2.842 13.943 -3.598 1.00 45.33 C ATOM 0 H VAL A 24 4.572 14.074 -1.372 1.00 53.31 H new ATOM 0 HA VAL A 24 5.496 11.901 -2.759 1.00 34.54 H new ATOM 0 HB VAL A 24 3.319 11.885 -3.877 1.00 35.15 H new ATOM 0 HG11 VAL A 24 1.848 12.062 -1.911 1.00 24.43 H new ATOM 0 HG12 VAL A 24 3.381 11.248 -1.519 1.00 24.43 H new ATOM 0 HG13 VAL A 24 3.126 12.943 -1.040 1.00 24.43 H new ATOM 0 HG21 VAL A 24 1.766 13.786 -3.677 1.00 45.33 H new ATOM 0 HG22 VAL A 24 3.041 14.738 -2.879 1.00 45.33 H new ATOM 0 HG23 VAL A 24 3.239 14.228 -4.572 1.00 45.33 H new ATOM 349 N GLY A 25 5.668 14.654 -4.508 1.00 41.25 N ATOM 350 CA GLY A 25 6.174 15.222 -5.744 1.00 44.22 C ATOM 351 C GLY A 25 7.571 14.735 -6.077 1.00 74.21 C ATOM 352 O GLY A 25 7.847 14.350 -7.213 1.00 52.43 O ATOM 0 H GLY A 25 5.400 15.338 -3.800 1.00 41.25 H new ATOM 0 HA2 GLY A 25 5.499 14.966 -6.561 1.00 44.22 H new ATOM 0 HA3 GLY A 25 6.181 16.309 -5.665 1.00 44.22 H new ATOM 356 N SER A 26 8.454 14.752 -5.084 1.00 42.02 N ATOM 357 CA SER A 26 9.831 14.314 -5.279 1.00 22.43 C ATOM 358 C SER A 26 9.898 12.801 -5.467 1.00 43.15 C ATOM 359 O SER A 26 10.813 12.285 -6.110 1.00 23.01 O ATOM 360 CB SER A 26 10.694 14.729 -4.086 1.00 23.34 C ATOM 361 OG SER A 26 10.381 16.044 -3.662 1.00 54.34 O ATOM 0 H SER A 26 8.241 15.064 -4.137 1.00 42.02 H new ATOM 0 HA SER A 26 10.214 14.793 -6.180 1.00 22.43 H new ATOM 0 HB2 SER A 26 10.540 14.032 -3.262 1.00 23.34 H new ATOM 0 HB3 SER A 26 11.748 14.673 -4.359 1.00 23.34 H new ATOM 0 HG SER A 26 11.125 16.404 -3.135 1.00 54.34 H new ATOM 367 N ILE A 27 8.923 12.097 -4.903 1.00 51.12 N ATOM 368 CA ILE A 27 8.870 10.644 -5.010 1.00 11.42 C ATOM 369 C ILE A 27 8.772 10.203 -6.466 1.00 42.23 C ATOM 370 O ILE A 27 9.420 9.240 -6.878 1.00 52.43 O ATOM 371 CB ILE A 27 7.675 10.066 -4.229 1.00 23.22 C ATOM 372 CG1 ILE A 27 7.741 10.496 -2.762 1.00 32.42 C ATOM 373 CG2 ILE A 27 7.654 8.549 -4.341 1.00 75.35 C ATOM 374 CD1 ILE A 27 8.940 9.944 -2.024 1.00 5.34 C ATOM 0 H ILE A 27 8.159 12.509 -4.367 1.00 51.12 H new ATOM 0 HA ILE A 27 9.795 10.262 -4.579 1.00 11.42 H new ATOM 0 HB ILE A 27 6.754 10.456 -4.662 1.00 23.22 H new ATOM 0 HG12 ILE A 27 7.763 11.585 -2.712 1.00 32.42 H new ATOM 0 HG13 ILE A 27 6.832 10.172 -2.256 1.00 32.42 H new ATOM 0 HG21 ILE A 27 6.804 8.155 -3.784 1.00 75.35 H new ATOM 0 HG22 ILE A 27 7.565 8.263 -5.389 1.00 75.35 H new ATOM 0 HG23 ILE A 27 8.578 8.141 -3.930 1.00 75.35 H new ATOM 0 HD11 ILE A 27 8.922 10.290 -0.990 1.00 5.34 H new ATOM 0 HD12 ILE A 27 8.909 8.855 -2.043 1.00 5.34 H new ATOM 0 HD13 ILE A 27 9.855 10.289 -2.506 1.00 5.34 H new ATOM 386 N ILE A 28 7.960 10.915 -7.241 1.00 64.30 N ATOM 387 CA ILE A 28 7.781 10.598 -8.652 1.00 54.34 C ATOM 388 C ILE A 28 9.099 10.705 -9.412 1.00 33.41 C ATOM 389 O ILE A 28 9.428 9.843 -10.227 1.00 44.32 O ATOM 390 CB ILE A 28 6.745 11.529 -9.311 1.00 3.33 C ATOM 391 CG1 ILE A 28 5.398 11.418 -8.593 1.00 44.33 C ATOM 392 CG2 ILE A 28 6.594 11.194 -10.787 1.00 5.00 C ATOM 393 CD1 ILE A 28 4.501 12.618 -8.804 1.00 30.31 C ATOM 0 H ILE A 28 7.416 11.714 -6.915 1.00 64.30 H new ATOM 0 HA ILE A 28 7.419 9.571 -8.701 1.00 54.34 H new ATOM 0 HB ILE A 28 7.097 12.557 -9.227 1.00 3.33 H new ATOM 0 HG12 ILE A 28 4.882 10.523 -8.941 1.00 44.33 H new ATOM 0 HG13 ILE A 28 5.574 11.289 -7.525 1.00 44.33 H new ATOM 0 HG21 ILE A 28 5.859 11.860 -11.238 1.00 5.00 H new ATOM 0 HG22 ILE A 28 7.554 11.320 -11.289 1.00 5.00 H new ATOM 0 HG23 ILE A 28 6.261 10.161 -10.894 1.00 5.00 H new ATOM 0 HD11 ILE A 28 3.564 12.471 -8.267 1.00 30.31 H new ATOM 0 HD12 ILE A 28 4.997 13.513 -8.430 1.00 30.31 H new ATOM 0 HD13 ILE A 28 4.295 12.735 -9.868 1.00 30.31 H new ATOM 405 N SER A 29 9.850 11.766 -9.137 1.00 53.32 N ATOM 406 CA SER A 29 11.132 11.987 -9.796 1.00 32.21 C ATOM 407 C SER A 29 12.122 10.882 -9.441 1.00 71.52 C ATOM 408 O SER A 29 12.811 10.348 -10.311 1.00 43.42 O ATOM 409 CB SER A 29 11.706 13.348 -9.398 1.00 52.15 C ATOM 410 OG SER A 29 12.610 13.826 -10.379 1.00 42.22 O ATOM 0 H SER A 29 9.593 12.486 -8.462 1.00 53.32 H new ATOM 0 HA SER A 29 10.967 11.971 -10.873 1.00 32.21 H new ATOM 0 HB2 SER A 29 10.895 14.064 -9.267 1.00 52.15 H new ATOM 0 HB3 SER A 29 12.216 13.265 -8.438 1.00 52.15 H new ATOM 0 HG SER A 29 12.962 14.698 -10.102 1.00 42.22 H new ATOM 416 N ILE A 30 12.186 10.543 -8.158 1.00 3.10 N ATOM 417 CA ILE A 30 13.091 9.501 -7.688 1.00 14.12 C ATOM 418 C ILE A 30 12.636 8.124 -8.160 1.00 14.34 C ATOM 419 O ILE A 30 13.447 7.211 -8.319 1.00 53.01 O ATOM 420 CB ILE A 30 13.194 9.497 -6.151 1.00 73.51 C ATOM 421 CG1 ILE A 30 13.681 10.856 -5.647 1.00 11.51 C ATOM 422 CG2 ILE A 30 14.126 8.388 -5.686 1.00 43.12 C ATOM 423 CD1 ILE A 30 15.080 11.205 -6.105 1.00 54.33 C ATOM 0 H ILE A 30 11.622 10.974 -7.426 1.00 3.10 H new ATOM 0 HA ILE A 30 14.072 9.721 -8.109 1.00 14.12 H new ATOM 0 HB ILE A 30 12.204 9.311 -5.736 1.00 73.51 H new ATOM 0 HG12 ILE A 30 12.992 11.629 -5.988 1.00 11.51 H new ATOM 0 HG13 ILE A 30 13.652 10.862 -4.557 1.00 11.51 H new ATOM 0 HG21 ILE A 30 14.189 8.398 -4.598 1.00 43.12 H new ATOM 0 HG22 ILE A 30 13.740 7.425 -6.019 1.00 43.12 H new ATOM 0 HG23 ILE A 30 15.118 8.546 -6.108 1.00 43.12 H new ATOM 0 HD11 ILE A 30 15.359 12.182 -5.710 1.00 54.33 H new ATOM 0 HD12 ILE A 30 15.780 10.453 -5.741 1.00 54.33 H new ATOM 0 HD13 ILE A 30 15.110 11.232 -7.194 1.00 54.33 H new ATOM 435 N LEU A 31 11.334 7.982 -8.383 1.00 51.12 N ATOM 436 CA LEU A 31 10.770 6.717 -8.839 1.00 73.55 C ATOM 437 C LEU A 31 11.408 6.278 -10.153 1.00 62.24 C ATOM 438 O LEU A 31 11.404 5.095 -10.493 1.00 43.40 O ATOM 439 CB LEU A 31 9.255 6.844 -9.013 1.00 22.44 C ATOM 440 CG LEU A 31 8.399 6.253 -7.892 1.00 25.25 C ATOM 441 CD1 LEU A 31 7.168 7.112 -7.651 1.00 73.30 C ATOM 442 CD2 LEU A 31 7.998 4.823 -8.224 1.00 23.02 C ATOM 0 H LEU A 31 10.649 8.727 -8.255 1.00 51.12 H new ATOM 0 HA LEU A 31 10.981 5.961 -8.083 1.00 73.55 H new ATOM 0 HB2 LEU A 31 9.008 7.901 -9.113 1.00 22.44 H new ATOM 0 HB3 LEU A 31 8.975 6.362 -9.950 1.00 22.44 H new ATOM 0 HG LEU A 31 8.992 6.239 -6.977 1.00 25.25 H new ATOM 0 HD11 LEU A 31 6.571 6.676 -6.850 1.00 73.30 H new ATOM 0 HD12 LEU A 31 7.476 8.118 -7.367 1.00 73.30 H new ATOM 0 HD13 LEU A 31 6.573 7.159 -8.563 1.00 73.30 H new ATOM 0 HD21 LEU A 31 7.389 4.419 -7.415 1.00 23.02 H new ATOM 0 HD22 LEU A 31 7.424 4.812 -9.151 1.00 23.02 H new ATOM 0 HD23 LEU A 31 8.893 4.213 -8.344 1.00 23.02 H new ATOM 454 N GLY A 32 11.959 7.240 -10.888 1.00 74.44 N ATOM 455 CA GLY A 32 12.595 6.932 -12.156 1.00 4.43 C ATOM 456 C GLY A 32 11.621 6.961 -13.316 1.00 51.43 C ATOM 457 O GLY A 32 11.794 6.243 -14.300 1.00 23.12 O ATOM 0 H GLY A 32 11.976 8.226 -10.628 1.00 74.44 H new ATOM 0 HA2 GLY A 32 13.396 7.648 -12.340 1.00 4.43 H new ATOM 0 HA3 GLY A 32 13.056 5.946 -12.097 1.00 4.43 H new ATOM 461 N GLY A 33 10.591 7.794 -13.202 1.00 14.24 N ATOM 462 CA GLY A 33 9.599 7.897 -14.256 1.00 32.10 C ATOM 463 C GLY A 33 8.276 8.443 -13.756 1.00 71.24 C ATOM 464 O GLY A 33 7.842 8.122 -12.650 1.00 13.41 O ATOM 0 H GLY A 33 10.426 8.400 -12.398 1.00 14.24 H new ATOM 0 HA2 GLY A 33 9.980 8.543 -15.047 1.00 32.10 H new ATOM 0 HA3 GLY A 33 9.439 6.913 -14.697 1.00 32.10 H new ATOM 468 N VAL A 34 7.633 9.272 -14.573 1.00 61.41 N ATOM 469 CA VAL A 34 6.352 9.864 -14.208 1.00 0.21 C ATOM 470 C VAL A 34 5.246 8.815 -14.189 1.00 64.43 C ATOM 471 O VAL A 34 4.735 8.416 -15.236 1.00 61.14 O ATOM 472 CB VAL A 34 5.958 10.992 -15.180 1.00 12.11 C ATOM 473 CG1 VAL A 34 6.813 12.227 -14.940 1.00 12.10 C ATOM 474 CG2 VAL A 34 6.081 10.520 -16.621 1.00 13.22 C ATOM 0 H VAL A 34 7.979 9.548 -15.492 1.00 61.41 H new ATOM 0 HA VAL A 34 6.470 10.281 -13.208 1.00 0.21 H new ATOM 0 HB VAL A 34 4.917 11.259 -14.997 1.00 12.11 H new ATOM 0 HG11 VAL A 34 6.520 13.013 -15.636 1.00 12.10 H new ATOM 0 HG12 VAL A 34 6.669 12.576 -13.917 1.00 12.10 H new ATOM 0 HG13 VAL A 34 7.863 11.978 -15.095 1.00 12.10 H new ATOM 0 HG21 VAL A 34 5.799 11.329 -17.294 1.00 13.22 H new ATOM 0 HG22 VAL A 34 7.111 10.225 -16.820 1.00 13.22 H new ATOM 0 HG23 VAL A 34 5.421 9.667 -16.782 1.00 13.22 H new ATOM 484 N THR A 35 4.880 8.370 -12.991 1.00 62.22 N ATOM 485 CA THR A 35 3.835 7.366 -12.835 1.00 64.23 C ATOM 486 C THR A 35 2.450 8.000 -12.894 1.00 63.25 C ATOM 487 O THR A 35 1.511 7.415 -13.435 1.00 45.22 O ATOM 488 CB THR A 35 3.982 6.604 -11.505 1.00 24.04 C ATOM 489 OG1 THR A 35 2.941 5.629 -11.381 1.00 24.50 O ATOM 490 CG2 THR A 35 3.929 7.562 -10.324 1.00 65.10 C ATOM 0 H THR A 35 5.292 8.689 -12.114 1.00 62.22 H new ATOM 0 HA THR A 35 3.946 6.664 -13.661 1.00 64.23 H new ATOM 0 HB THR A 35 4.950 6.103 -11.504 1.00 24.04 H new ATOM 0 HG1 THR A 35 2.409 5.818 -10.580 1.00 24.50 H new ATOM 0 HG21 THR A 35 4.035 7.001 -9.395 1.00 65.10 H new ATOM 0 HG22 THR A 35 4.740 8.285 -10.406 1.00 65.10 H new ATOM 0 HG23 THR A 35 2.974 8.087 -10.324 1.00 65.10 H new ATOM 498 N VAL A 36 2.329 9.200 -12.335 1.00 64.35 N ATOM 499 CA VAL A 36 1.059 9.914 -12.326 1.00 54.44 C ATOM 500 C VAL A 36 -0.068 9.026 -11.811 1.00 22.04 C ATOM 501 O VAL A 36 -0.992 8.686 -12.548 1.00 40.21 O ATOM 502 CB VAL A 36 0.692 10.425 -13.733 1.00 11.15 C ATOM 503 CG1 VAL A 36 -0.536 11.321 -13.672 1.00 4.41 C ATOM 504 CG2 VAL A 36 1.869 11.160 -14.356 1.00 11.34 C ATOM 0 H VAL A 36 3.096 9.698 -11.882 1.00 64.35 H new ATOM 0 HA VAL A 36 1.181 10.766 -11.657 1.00 54.44 H new ATOM 0 HB VAL A 36 0.455 9.567 -14.362 1.00 11.15 H new ATOM 0 HG11 VAL A 36 -0.780 11.672 -14.675 1.00 4.41 H new ATOM 0 HG12 VAL A 36 -1.378 10.758 -13.270 1.00 4.41 H new ATOM 0 HG13 VAL A 36 -0.331 12.176 -13.028 1.00 4.41 H new ATOM 0 HG21 VAL A 36 1.592 11.514 -15.349 1.00 11.34 H new ATOM 0 HG22 VAL A 36 2.140 12.010 -13.730 1.00 11.34 H new ATOM 0 HG23 VAL A 36 2.720 10.483 -14.436 1.00 11.34 H new ATOM 514 N GLY A 37 0.016 8.653 -10.537 1.00 71.21 N ATOM 515 CA GLY A 37 -1.003 7.807 -9.943 1.00 51.14 C ATOM 516 C GLY A 37 -0.651 7.379 -8.532 1.00 74.04 C ATOM 517 O GLY A 37 -1.323 7.762 -7.574 1.00 1.44 O ATOM 0 H GLY A 37 0.771 8.922 -9.906 1.00 71.21 H new ATOM 0 HA2 GLY A 37 -1.953 8.341 -9.931 1.00 51.14 H new ATOM 0 HA3 GLY A 37 -1.143 6.922 -10.564 1.00 51.14 H new ATOM 521 N LEU A 38 0.403 6.581 -8.404 1.00 33.14 N ATOM 522 CA LEU A 38 0.842 6.098 -7.099 1.00 10.21 C ATOM 523 C LEU A 38 1.201 7.262 -6.180 1.00 71.14 C ATOM 524 O LEU A 38 1.232 7.115 -4.959 1.00 32.33 O ATOM 525 CB LEU A 38 2.046 5.168 -7.256 1.00 71.33 C ATOM 526 CG LEU A 38 3.405 5.850 -7.416 1.00 70.22 C ATOM 527 CD1 LEU A 38 4.056 6.067 -6.059 1.00 42.12 C ATOM 528 CD2 LEU A 38 4.312 5.027 -8.319 1.00 72.44 C ATOM 0 H LEU A 38 0.969 6.255 -9.187 1.00 33.14 H new ATOM 0 HA LEU A 38 0.019 5.544 -6.649 1.00 10.21 H new ATOM 0 HB2 LEU A 38 2.091 4.514 -6.385 1.00 71.33 H new ATOM 0 HB3 LEU A 38 1.877 4.531 -8.124 1.00 71.33 H new ATOM 0 HG LEU A 38 3.249 6.823 -7.881 1.00 70.22 H new ATOM 0 HD11 LEU A 38 5.022 6.553 -6.193 1.00 42.12 H new ATOM 0 HD12 LEU A 38 3.414 6.698 -5.444 1.00 42.12 H new ATOM 0 HD13 LEU A 38 4.199 5.105 -5.566 1.00 42.12 H new ATOM 0 HD21 LEU A 38 5.275 5.528 -8.421 1.00 72.44 H new ATOM 0 HD22 LEU A 38 4.461 4.040 -7.882 1.00 72.44 H new ATOM 0 HD23 LEU A 38 3.851 4.923 -9.301 1.00 72.44 H new ATOM 540 N SER A 39 1.469 8.419 -6.777 1.00 25.10 N ATOM 541 CA SER A 39 1.828 9.608 -6.013 1.00 13.03 C ATOM 542 C SER A 39 0.626 10.137 -5.235 1.00 61.53 C ATOM 543 O SER A 39 0.740 10.498 -4.065 1.00 11.21 O ATOM 544 CB SER A 39 2.365 10.696 -6.944 1.00 65.02 C ATOM 545 OG SER A 39 2.741 10.154 -8.198 1.00 72.34 O ATOM 0 H SER A 39 1.444 8.558 -7.787 1.00 25.10 H new ATOM 0 HA SER A 39 2.607 9.331 -5.302 1.00 13.03 H new ATOM 0 HB2 SER A 39 1.604 11.463 -7.089 1.00 65.02 H new ATOM 0 HB3 SER A 39 3.224 11.183 -6.482 1.00 65.02 H new ATOM 0 HG SER A 39 2.335 10.681 -8.917 1.00 72.34 H new ATOM 551 N GLY A 40 -0.527 10.178 -5.896 1.00 41.03 N ATOM 552 CA GLY A 40 -1.734 10.664 -5.253 1.00 22.40 C ATOM 553 C GLY A 40 -2.116 9.839 -4.040 1.00 75.53 C ATOM 554 O GLY A 40 -2.730 10.348 -3.102 1.00 72.34 O ATOM 0 H GLY A 40 -0.647 9.883 -6.865 1.00 41.03 H new ATOM 0 HA2 GLY A 40 -1.589 11.702 -4.952 1.00 22.40 H new ATOM 0 HA3 GLY A 40 -2.555 10.652 -5.970 1.00 22.40 H new ATOM 558 N VAL A 41 -1.755 8.559 -4.059 1.00 1.54 N ATOM 559 CA VAL A 41 -2.065 7.662 -2.952 1.00 63.44 C ATOM 560 C VAL A 41 -0.915 7.604 -1.953 1.00 13.44 C ATOM 561 O VAL A 41 -1.106 7.244 -0.791 1.00 30.40 O ATOM 562 CB VAL A 41 -2.366 6.237 -3.454 1.00 20.33 C ATOM 563 CG1 VAL A 41 -1.205 5.704 -4.280 1.00 1.43 C ATOM 564 CG2 VAL A 41 -2.666 5.313 -2.283 1.00 22.21 C ATOM 0 H VAL A 41 -1.248 8.121 -4.828 1.00 1.54 H new ATOM 0 HA VAL A 41 -2.951 8.061 -2.459 1.00 63.44 H new ATOM 0 HB VAL A 41 -3.248 6.275 -4.094 1.00 20.33 H new ATOM 0 HG11 VAL A 41 -1.437 4.696 -4.625 1.00 1.43 H new ATOM 0 HG12 VAL A 41 -1.042 6.354 -5.140 1.00 1.43 H new ATOM 0 HG13 VAL A 41 -0.304 5.679 -3.667 1.00 1.43 H new ATOM 0 HG21 VAL A 41 -2.876 4.310 -2.655 1.00 22.21 H new ATOM 0 HG22 VAL A 41 -1.804 5.279 -1.616 1.00 22.21 H new ATOM 0 HG23 VAL A 41 -3.532 5.687 -1.737 1.00 22.21 H new ATOM 574 N PHE A 42 0.279 7.963 -2.411 1.00 41.43 N ATOM 575 CA PHE A 42 1.461 7.953 -1.557 1.00 70.32 C ATOM 576 C PHE A 42 1.207 8.727 -0.267 1.00 74.01 C ATOM 577 O PHE A 42 1.540 8.265 0.825 1.00 44.14 O ATOM 578 CB PHE A 42 2.657 8.553 -2.298 1.00 43.33 C ATOM 579 CG PHE A 42 3.984 8.147 -1.724 1.00 21.44 C ATOM 580 CD1 PHE A 42 4.627 7.004 -2.172 1.00 21.05 C ATOM 581 CD2 PHE A 42 4.588 8.907 -0.735 1.00 60.20 C ATOM 582 CE1 PHE A 42 5.848 6.627 -1.645 1.00 43.11 C ATOM 583 CE2 PHE A 42 5.809 8.535 -0.205 1.00 42.12 C ATOM 584 CZ PHE A 42 6.440 7.393 -0.660 1.00 14.21 C ATOM 0 H PHE A 42 0.454 8.265 -3.369 1.00 41.43 H new ATOM 0 HA PHE A 42 1.684 6.917 -1.300 1.00 70.32 H new ATOM 0 HB2 PHE A 42 2.615 8.250 -3.344 1.00 43.33 H new ATOM 0 HB3 PHE A 42 2.579 9.640 -2.277 1.00 43.33 H new ATOM 0 HD1 PHE A 42 4.169 6.401 -2.942 1.00 21.05 H new ATOM 0 HD2 PHE A 42 4.099 9.800 -0.374 1.00 60.20 H new ATOM 0 HE1 PHE A 42 6.339 5.734 -2.003 1.00 43.11 H new ATOM 0 HE2 PHE A 42 6.270 9.137 0.564 1.00 42.12 H new ATOM 0 HZ PHE A 42 7.394 7.100 -0.246 1.00 14.21 H new ATOM 594 N THR A 43 0.613 9.909 -0.401 1.00 2.24 N ATOM 595 CA THR A 43 0.315 10.749 0.752 1.00 2.35 C ATOM 596 C THR A 43 -0.506 9.990 1.788 1.00 3.04 C ATOM 597 O THR A 43 -0.206 10.028 2.981 1.00 2.43 O ATOM 598 CB THR A 43 -0.450 12.020 0.339 1.00 53.34 C ATOM 599 OG1 THR A 43 -0.077 12.406 -0.989 1.00 14.31 O ATOM 600 CG2 THR A 43 -0.165 13.162 1.303 1.00 33.30 C ATOM 0 H THR A 43 0.329 10.306 -1.297 1.00 2.24 H new ATOM 0 HA THR A 43 1.272 11.036 1.189 1.00 2.35 H new ATOM 0 HB THR A 43 -1.517 11.800 0.368 1.00 53.34 H new ATOM 0 HG1 THR A 43 -0.682 11.984 -1.634 1.00 14.31 H new ATOM 0 HG21 THR A 43 -0.717 14.049 0.990 1.00 33.30 H new ATOM 0 HG22 THR A 43 -0.477 12.876 2.308 1.00 33.30 H new ATOM 0 HG23 THR A 43 0.903 13.380 1.303 1.00 33.30 H new ATOM 608 N ALA A 44 -1.543 9.300 1.325 1.00 65.21 N ATOM 609 CA ALA A 44 -2.405 8.529 2.212 1.00 52.13 C ATOM 610 C ALA A 44 -1.609 7.474 2.972 1.00 4.32 C ATOM 611 O ALA A 44 -1.914 7.161 4.123 1.00 75.23 O ATOM 612 CB ALA A 44 -3.528 7.876 1.419 1.00 22.33 C ATOM 0 H ALA A 44 -1.807 9.259 0.340 1.00 65.21 H new ATOM 0 HA ALA A 44 -2.839 9.213 2.941 1.00 52.13 H new ATOM 0 HB1 ALA A 44 -4.164 7.303 2.094 1.00 22.33 H new ATOM 0 HB2 ALA A 44 -4.122 8.646 0.927 1.00 22.33 H new ATOM 0 HB3 ALA A 44 -3.103 7.210 0.668 1.00 22.33 H new ATOM 618 N VAL A 45 -0.585 6.929 2.322 1.00 54.21 N ATOM 619 CA VAL A 45 0.256 5.909 2.937 1.00 14.53 C ATOM 620 C VAL A 45 1.128 6.506 4.036 1.00 11.20 C ATOM 621 O VAL A 45 1.222 5.960 5.135 1.00 33.04 O ATOM 622 CB VAL A 45 1.159 5.223 1.895 1.00 2.55 C ATOM 623 CG1 VAL A 45 2.050 4.186 2.562 1.00 44.34 C ATOM 624 CG2 VAL A 45 0.319 4.590 0.797 1.00 70.20 C ATOM 0 H VAL A 45 -0.318 7.177 1.369 1.00 54.21 H new ATOM 0 HA VAL A 45 -0.413 5.166 3.371 1.00 14.53 H new ATOM 0 HB VAL A 45 1.799 5.979 1.440 1.00 2.55 H new ATOM 0 HG11 VAL A 45 2.681 3.711 1.811 1.00 44.34 H new ATOM 0 HG12 VAL A 45 2.678 4.672 3.309 1.00 44.34 H new ATOM 0 HG13 VAL A 45 1.430 3.431 3.045 1.00 44.34 H new ATOM 0 HG21 VAL A 45 0.973 4.110 0.069 1.00 70.20 H new ATOM 0 HG22 VAL A 45 -0.348 3.846 1.232 1.00 70.20 H new ATOM 0 HG23 VAL A 45 -0.272 5.360 0.301 1.00 70.20 H new ATOM 634 N LYS A 46 1.765 7.632 3.732 1.00 62.30 N ATOM 635 CA LYS A 46 2.630 8.306 4.694 1.00 74.25 C ATOM 636 C LYS A 46 1.861 8.657 5.963 1.00 30.35 C ATOM 637 O LYS A 46 2.320 8.385 7.073 1.00 53.43 O ATOM 638 CB LYS A 46 3.222 9.575 4.076 1.00 33.21 C ATOM 639 CG LYS A 46 4.201 10.295 4.987 1.00 32.32 C ATOM 640 CD LYS A 46 3.496 11.306 5.875 1.00 13.31 C ATOM 641 CE LYS A 46 4.464 12.354 6.404 1.00 35.54 C ATOM 642 NZ LYS A 46 3.962 12.992 7.653 1.00 72.22 N ATOM 0 H LYS A 46 1.699 8.097 2.827 1.00 62.30 H new ATOM 0 HA LYS A 46 3.440 7.625 4.957 1.00 74.25 H new ATOM 0 HB2 LYS A 46 3.728 9.314 3.146 1.00 33.21 H new ATOM 0 HB3 LYS A 46 2.411 10.256 3.818 1.00 33.21 H new ATOM 0 HG2 LYS A 46 4.725 9.568 5.607 1.00 32.32 H new ATOM 0 HG3 LYS A 46 4.955 10.802 4.384 1.00 32.32 H new ATOM 0 HD2 LYS A 46 2.701 11.795 5.312 1.00 13.31 H new ATOM 0 HD3 LYS A 46 3.024 10.790 6.711 1.00 13.31 H new ATOM 0 HE2 LYS A 46 5.432 11.891 6.596 1.00 35.54 H new ATOM 0 HE3 LYS A 46 4.622 13.119 5.644 1.00 35.54 H new ATOM 0 HZ1 LYS A 46 4.649 13.700 7.982 1.00 72.22 H new ATOM 0 HZ2 LYS A 46 3.051 13.456 7.464 1.00 72.22 H new ATOM 0 HZ3 LYS A 46 3.835 12.266 8.387 1.00 72.22 H new ATOM 656 N ALA A 47 0.689 9.260 5.793 1.00 61.11 N ATOM 657 CA ALA A 47 -0.144 9.644 6.925 1.00 13.24 C ATOM 658 C ALA A 47 -0.513 8.431 7.772 1.00 34.21 C ATOM 659 O ALA A 47 -0.616 8.524 8.995 1.00 73.41 O ATOM 660 CB ALA A 47 -1.400 10.353 6.440 1.00 0.21 C ATOM 0 H ALA A 47 0.295 9.493 4.881 1.00 61.11 H new ATOM 0 HA ALA A 47 0.429 10.330 7.549 1.00 13.24 H new ATOM 0 HB1 ALA A 47 -2.013 10.634 7.296 1.00 0.21 H new ATOM 0 HB2 ALA A 47 -1.121 11.248 5.884 1.00 0.21 H new ATOM 0 HB3 ALA A 47 -1.967 9.685 5.791 1.00 0.21 H new ATOM 666 N ALA A 48 -0.712 7.294 7.113 1.00 31.24 N ATOM 667 CA ALA A 48 -1.069 6.062 7.806 1.00 25.13 C ATOM 668 C ALA A 48 -0.022 5.699 8.854 1.00 21.21 C ATOM 669 O ALA A 48 -0.332 5.055 9.857 1.00 4.22 O ATOM 670 CB ALA A 48 -1.236 4.925 6.809 1.00 13.10 C ATOM 0 H ALA A 48 -0.632 7.201 6.100 1.00 31.24 H new ATOM 0 HA ALA A 48 -2.018 6.224 8.318 1.00 25.13 H new ATOM 0 HB1 ALA A 48 -1.502 4.011 7.340 1.00 13.10 H new ATOM 0 HB2 ALA A 48 -2.025 5.176 6.100 1.00 13.10 H new ATOM 0 HB3 ALA A 48 -0.300 4.772 6.271 1.00 13.10 H new ATOM 676 N ILE A 49 1.217 6.115 8.615 1.00 62.53 N ATOM 677 CA ILE A 49 2.309 5.833 9.539 1.00 71.24 C ATOM 678 C ILE A 49 1.995 6.355 10.936 1.00 34.04 C ATOM 679 O ILE A 49 2.013 5.602 11.910 1.00 44.51 O ATOM 680 CB ILE A 49 3.631 6.457 9.055 1.00 41.12 C ATOM 681 CG1 ILE A 49 3.970 5.960 7.648 1.00 4.10 C ATOM 682 CG2 ILE A 49 4.757 6.130 10.024 1.00 21.20 C ATOM 683 CD1 ILE A 49 5.160 6.661 7.030 1.00 55.51 C ATOM 0 H ILE A 49 1.490 6.648 7.790 1.00 62.53 H new ATOM 0 HA ILE A 49 2.420 4.749 9.575 1.00 71.24 H new ATOM 0 HB ILE A 49 3.513 7.540 9.018 1.00 41.12 H new ATOM 0 HG12 ILE A 49 4.170 4.889 7.688 1.00 4.10 H new ATOM 0 HG13 ILE A 49 3.102 6.098 7.003 1.00 4.10 H new ATOM 0 HG21 ILE A 49 5.685 6.578 9.668 1.00 21.20 H new ATOM 0 HG22 ILE A 49 4.516 6.529 11.010 1.00 21.20 H new ATOM 0 HG23 ILE A 49 4.878 5.049 10.090 1.00 21.20 H new ATOM 0 HD11 ILE A 49 5.342 6.258 6.034 1.00 55.51 H new ATOM 0 HD12 ILE A 49 4.956 7.729 6.958 1.00 55.51 H new ATOM 0 HD13 ILE A 49 6.040 6.501 7.653 1.00 55.51 H new ATOM 695 N ALA A 50 1.704 7.649 11.027 1.00 22.34 N ATOM 696 CA ALA A 50 1.382 8.271 12.305 1.00 14.13 C ATOM 697 C ALA A 50 0.075 7.723 12.869 1.00 51.14 C ATOM 698 O ALA A 50 -0.161 7.771 14.076 1.00 34.40 O ATOM 699 CB ALA A 50 1.299 9.782 12.150 1.00 1.53 C ATOM 0 H ALA A 50 1.685 8.286 10.231 1.00 22.34 H new ATOM 0 HA ALA A 50 2.179 8.032 13.008 1.00 14.13 H new ATOM 0 HB1 ALA A 50 1.058 10.234 13.112 1.00 1.53 H new ATOM 0 HB2 ALA A 50 2.257 10.165 11.799 1.00 1.53 H new ATOM 0 HB3 ALA A 50 0.522 10.031 11.427 1.00 1.53 H new ATOM 705 N LYS A 51 -0.772 7.203 11.987 1.00 53.42 N ATOM 706 CA LYS A 51 -2.056 6.645 12.395 1.00 1.32 C ATOM 707 C LYS A 51 -1.875 5.265 13.018 1.00 34.24 C ATOM 708 O LYS A 51 -2.574 4.906 13.966 1.00 4.53 O ATOM 709 CB LYS A 51 -3.001 6.555 11.195 1.00 12.21 C ATOM 710 CG LYS A 51 -4.471 6.554 11.577 1.00 12.04 C ATOM 711 CD LYS A 51 -4.972 7.958 11.870 1.00 12.33 C ATOM 712 CE LYS A 51 -5.266 8.724 10.589 1.00 33.32 C ATOM 713 NZ LYS A 51 -6.362 8.091 9.804 1.00 14.14 N ATOM 0 H LYS A 51 -0.592 7.156 10.984 1.00 53.42 H new ATOM 0 HA LYS A 51 -2.491 7.308 13.143 1.00 1.32 H new ATOM 0 HB2 LYS A 51 -2.808 7.395 10.528 1.00 12.21 H new ATOM 0 HB3 LYS A 51 -2.779 5.646 10.636 1.00 12.21 H new ATOM 0 HG2 LYS A 51 -5.058 6.119 10.768 1.00 12.04 H new ATOM 0 HG3 LYS A 51 -4.620 5.923 12.454 1.00 12.04 H new ATOM 0 HD2 LYS A 51 -5.875 7.904 12.478 1.00 12.33 H new ATOM 0 HD3 LYS A 51 -4.226 8.497 12.454 1.00 12.33 H new ATOM 0 HE2 LYS A 51 -5.540 9.750 10.834 1.00 33.32 H new ATOM 0 HE3 LYS A 51 -4.364 8.772 9.979 1.00 33.32 H new ATOM 0 HZ1 LYS A 51 -6.808 8.804 9.192 1.00 14.14 H new ATOM 0 HZ2 LYS A 51 -5.972 7.326 9.217 1.00 14.14 H new ATOM 0 HZ3 LYS A 51 -7.073 7.700 10.454 1.00 14.14 H new ATOM 727 N GLN A 52 -0.934 4.496 12.480 1.00 11.13 N ATOM 728 CA GLN A 52 -0.662 3.155 12.985 1.00 14.42 C ATOM 729 C GLN A 52 0.839 2.911 13.101 1.00 55.12 C ATOM 730 O GLN A 52 1.380 2.820 14.202 1.00 72.22 O ATOM 731 CB GLN A 52 -1.293 2.105 12.069 1.00 11.13 C ATOM 732 CG GLN A 52 -2.725 1.756 12.440 1.00 34.21 C ATOM 733 CD GLN A 52 -3.707 2.851 12.073 1.00 1.54 C ATOM 734 OE1 GLN A 52 -4.415 3.379 12.932 1.00 51.15 O ATOM 735 NE2 GLN A 52 -3.754 3.200 10.793 1.00 51.10 N ATOM 0 H GLN A 52 -0.347 4.778 11.695 1.00 11.13 H new ATOM 0 HA GLN A 52 -1.102 3.072 13.979 1.00 14.42 H new ATOM 0 HB2 GLN A 52 -1.271 2.470 11.042 1.00 11.13 H new ATOM 0 HB3 GLN A 52 -0.688 1.199 12.098 1.00 11.13 H new ATOM 0 HG2 GLN A 52 -3.012 0.833 11.937 1.00 34.21 H new ATOM 0 HG3 GLN A 52 -2.783 1.566 13.512 1.00 34.21 H new ATOM 0 HE21 GLN A 52 -3.149 2.736 10.115 1.00 51.10 H new ATOM 0 HE22 GLN A 52 -4.395 3.932 10.487 1.00 51.10 H new ATOM 744 N GLY A 53 1.506 2.805 11.956 1.00 41.54 N ATOM 745 CA GLY A 53 2.938 2.572 11.951 1.00 44.03 C ATOM 746 C GLY A 53 3.487 2.365 10.553 1.00 43.20 C ATOM 747 O GLY A 53 2.758 1.961 9.646 1.00 4.24 O ATOM 0 H GLY A 53 1.080 2.876 11.032 1.00 41.54 H new ATOM 0 HA2 GLY A 53 3.443 3.420 12.414 1.00 44.03 H new ATOM 0 HA3 GLY A 53 3.163 1.696 12.560 1.00 44.03 H new ATOM 751 N ILE A 54 4.774 2.644 10.377 1.00 25.14 N ATOM 752 CA ILE A 54 5.420 2.486 9.080 1.00 54.42 C ATOM 753 C ILE A 54 5.160 1.100 8.501 1.00 32.45 C ATOM 754 O ILE A 54 5.088 0.925 7.285 1.00 55.32 O ATOM 755 CB ILE A 54 6.940 2.714 9.176 1.00 72.05 C ATOM 756 CG1 ILE A 54 7.543 1.823 10.263 1.00 63.20 C ATOM 757 CG2 ILE A 54 7.239 4.179 9.457 1.00 64.22 C ATOM 758 CD1 ILE A 54 9.045 1.957 10.390 1.00 73.13 C ATOM 0 H ILE A 54 5.390 2.981 11.117 1.00 25.14 H new ATOM 0 HA ILE A 54 4.989 3.239 8.420 1.00 54.42 H new ATOM 0 HB ILE A 54 7.394 2.448 8.221 1.00 72.05 H new ATOM 0 HG12 ILE A 54 7.082 2.069 11.220 1.00 63.20 H new ATOM 0 HG13 ILE A 54 7.296 0.783 10.048 1.00 63.20 H new ATOM 0 HG21 ILE A 54 8.317 4.324 9.522 1.00 64.22 H new ATOM 0 HG22 ILE A 54 6.838 4.793 8.651 1.00 64.22 H new ATOM 0 HG23 ILE A 54 6.776 4.470 10.400 1.00 64.22 H new ATOM 0 HD11 ILE A 54 9.404 1.297 11.180 1.00 73.13 H new ATOM 0 HD12 ILE A 54 9.516 1.683 9.446 1.00 73.13 H new ATOM 0 HD13 ILE A 54 9.299 2.988 10.636 1.00 73.13 H new ATOM 770 N LYS A 55 5.018 0.114 9.382 1.00 44.51 N ATOM 771 CA LYS A 55 4.763 -1.258 8.961 1.00 42.13 C ATOM 772 C LYS A 55 3.510 -1.337 8.094 1.00 24.12 C ATOM 773 O LYS A 55 3.452 -2.111 7.138 1.00 11.41 O ATOM 774 CB LYS A 55 4.610 -2.168 10.182 1.00 51.33 C ATOM 775 CG LYS A 55 3.660 -1.620 11.233 1.00 73.33 C ATOM 776 CD LYS A 55 4.364 -1.400 12.561 1.00 43.02 C ATOM 777 CE LYS A 55 4.280 -2.633 13.448 1.00 51.23 C ATOM 778 NZ LYS A 55 5.237 -3.690 13.020 1.00 23.22 N ATOM 0 H LYS A 55 5.075 0.241 10.392 1.00 44.51 H new ATOM 0 HA LYS A 55 5.614 -1.594 8.370 1.00 42.13 H new ATOM 0 HB2 LYS A 55 4.252 -3.144 9.855 1.00 51.33 H new ATOM 0 HB3 LYS A 55 5.589 -2.323 10.635 1.00 51.33 H new ATOM 0 HG2 LYS A 55 3.235 -0.678 10.885 1.00 73.33 H new ATOM 0 HG3 LYS A 55 2.830 -2.313 11.371 1.00 73.33 H new ATOM 0 HD2 LYS A 55 5.410 -1.150 12.382 1.00 43.02 H new ATOM 0 HD3 LYS A 55 3.916 -0.550 13.075 1.00 43.02 H new ATOM 0 HE2 LYS A 55 4.487 -2.352 14.481 1.00 51.23 H new ATOM 0 HE3 LYS A 55 3.265 -3.030 13.423 1.00 51.23 H new ATOM 0 HZ1 LYS A 55 5.222 -4.471 13.707 1.00 23.22 H new ATOM 0 HZ2 LYS A 55 4.962 -4.048 12.083 1.00 23.22 H new ATOM 0 HZ3 LYS A 55 6.196 -3.291 12.971 1.00 23.22 H new ATOM 792 N LYS A 56 2.510 -0.531 8.433 1.00 31.24 N ATOM 793 CA LYS A 56 1.259 -0.507 7.685 1.00 33.33 C ATOM 794 C LYS A 56 1.479 0.026 6.273 1.00 22.42 C ATOM 795 O LYS A 56 0.912 -0.489 5.310 1.00 51.10 O ATOM 796 CB LYS A 56 0.223 0.354 8.411 1.00 0.51 C ATOM 797 CG LYS A 56 -0.450 -0.354 9.574 1.00 1.31 C ATOM 798 CD LYS A 56 -1.405 -1.433 9.093 1.00 62.24 C ATOM 799 CE LYS A 56 -1.728 -2.426 10.199 1.00 4.30 C ATOM 800 NZ LYS A 56 -2.546 -3.566 9.700 1.00 4.32 N ATOM 0 H LYS A 56 2.542 0.115 9.222 1.00 31.24 H new ATOM 0 HA LYS A 56 0.888 -1.529 7.615 1.00 33.33 H new ATOM 0 HB2 LYS A 56 0.708 1.258 8.779 1.00 0.51 H new ATOM 0 HB3 LYS A 56 -0.539 0.669 7.698 1.00 0.51 H new ATOM 0 HG2 LYS A 56 0.308 -0.799 10.218 1.00 1.31 H new ATOM 0 HG3 LYS A 56 -0.994 0.372 10.177 1.00 1.31 H new ATOM 0 HD2 LYS A 56 -2.326 -0.972 8.736 1.00 62.24 H new ATOM 0 HD3 LYS A 56 -0.964 -1.960 8.247 1.00 62.24 H new ATOM 0 HE2 LYS A 56 -0.801 -2.805 10.629 1.00 4.30 H new ATOM 0 HE3 LYS A 56 -2.265 -1.916 10.999 1.00 4.30 H new ATOM 0 HZ1 LYS A 56 -2.745 -4.220 10.484 1.00 4.32 H new ATOM 0 HZ2 LYS A 56 -3.442 -3.207 9.313 1.00 4.32 H new ATOM 0 HZ3 LYS A 56 -2.023 -4.068 8.954 1.00 4.32 H new ATOM 814 N ALA A 57 2.308 1.058 6.158 1.00 54.50 N ATOM 815 CA ALA A 57 2.605 1.658 4.863 1.00 4.13 C ATOM 816 C ALA A 57 3.134 0.616 3.884 1.00 73.52 C ATOM 817 O ALA A 57 2.859 0.681 2.685 1.00 1.13 O ATOM 818 CB ALA A 57 3.609 2.790 5.024 1.00 2.23 C ATOM 0 H ALA A 57 2.786 1.496 6.946 1.00 54.50 H new ATOM 0 HA ALA A 57 1.678 2.063 4.457 1.00 4.13 H new ATOM 0 HB1 ALA A 57 3.822 3.229 4.049 1.00 2.23 H new ATOM 0 HB2 ALA A 57 3.195 3.553 5.683 1.00 2.23 H new ATOM 0 HB3 ALA A 57 4.531 2.400 5.455 1.00 2.23 H new ATOM 824 N ILE A 58 3.893 -0.344 4.401 1.00 32.43 N ATOM 825 CA ILE A 58 4.459 -1.401 3.572 1.00 52.25 C ATOM 826 C ILE A 58 3.362 -2.212 2.891 1.00 72.41 C ATOM 827 O ILE A 58 3.322 -2.314 1.665 1.00 0.01 O ATOM 828 CB ILE A 58 5.347 -2.350 4.397 1.00 20.11 C ATOM 829 CG1 ILE A 58 6.479 -1.570 5.068 1.00 45.12 C ATOM 830 CG2 ILE A 58 5.908 -3.454 3.513 1.00 41.54 C ATOM 831 CD1 ILE A 58 7.344 -2.419 5.974 1.00 41.54 C ATOM 0 H ILE A 58 4.130 -0.412 5.391 1.00 32.43 H new ATOM 0 HA ILE A 58 5.071 -0.913 2.813 1.00 52.25 H new ATOM 0 HB ILE A 58 4.737 -2.810 5.175 1.00 20.11 H new ATOM 0 HG12 ILE A 58 7.106 -1.120 4.298 1.00 45.12 H new ATOM 0 HG13 ILE A 58 6.052 -0.753 5.649 1.00 45.12 H new ATOM 0 HG21 ILE A 58 6.534 -4.116 4.111 1.00 41.54 H new ATOM 0 HG22 ILE A 58 5.087 -4.025 3.078 1.00 41.54 H new ATOM 0 HG23 ILE A 58 6.506 -3.013 2.715 1.00 41.54 H new ATOM 0 HD11 ILE A 58 8.125 -1.800 6.415 1.00 41.54 H new ATOM 0 HD12 ILE A 58 6.730 -2.848 6.766 1.00 41.54 H new ATOM 0 HD13 ILE A 58 7.800 -3.221 5.394 1.00 41.54 H new ATOM 843 N GLN A 59 2.473 -2.787 3.695 1.00 52.31 N ATOM 844 CA GLN A 59 1.374 -3.589 3.169 1.00 2.54 C ATOM 845 C GLN A 59 0.528 -2.779 2.193 1.00 50.24 C ATOM 846 O GLN A 59 -0.033 -3.324 1.241 1.00 14.12 O ATOM 847 CB GLN A 59 0.500 -4.106 4.313 1.00 12.40 C ATOM 848 CG GLN A 59 1.248 -4.986 5.301 1.00 71.34 C ATOM 849 CD GLN A 59 2.047 -6.079 4.619 1.00 61.32 C ATOM 850 OE1 GLN A 59 1.483 -7.021 4.061 1.00 32.24 O ATOM 851 NE2 GLN A 59 3.369 -5.960 4.659 1.00 11.42 N ATOM 0 H GLN A 59 2.492 -2.713 4.712 1.00 52.31 H new ATOM 0 HA GLN A 59 1.800 -4.438 2.634 1.00 2.54 H new ATOM 0 HB2 GLN A 59 0.074 -3.256 4.846 1.00 12.40 H new ATOM 0 HB3 GLN A 59 -0.334 -4.670 3.895 1.00 12.40 H new ATOM 0 HG2 GLN A 59 1.920 -4.368 5.897 1.00 71.34 H new ATOM 0 HG3 GLN A 59 0.536 -5.438 5.991 1.00 71.34 H new ATOM 0 HE21 GLN A 59 3.795 -5.163 5.132 1.00 11.42 H new ATOM 0 HE22 GLN A 59 3.958 -6.665 4.217 1.00 11.42 H new ATOM 860 N LEU A 60 0.440 -1.475 2.433 1.00 20.35 N ATOM 861 CA LEU A 60 -0.339 -0.589 1.575 1.00 65.41 C ATOM 862 C LEU A 60 0.276 -0.504 0.181 1.00 14.43 C ATOM 863 O LEU A 60 -0.435 -0.526 -0.824 1.00 3.34 O ATOM 864 CB LEU A 60 -0.424 0.807 2.194 1.00 75.13 C ATOM 865 CG LEU A 60 -1.830 1.310 2.523 1.00 75.31 C ATOM 866 CD1 LEU A 60 -2.528 0.355 3.480 1.00 53.45 C ATOM 867 CD2 LEU A 60 -1.771 2.711 3.113 1.00 10.04 C ATOM 0 H LEU A 60 0.899 -1.008 3.215 1.00 20.35 H new ATOM 0 HA LEU A 60 -1.344 -1.001 1.484 1.00 65.41 H new ATOM 0 HB2 LEU A 60 0.166 0.813 3.110 1.00 75.13 H new ATOM 0 HB3 LEU A 60 0.043 1.515 1.510 1.00 75.13 H new ATOM 0 HG LEU A 60 -2.406 1.351 1.599 1.00 75.31 H new ATOM 0 HD11 LEU A 60 -3.527 0.729 3.703 1.00 53.45 H new ATOM 0 HD12 LEU A 60 -2.604 -0.630 3.020 1.00 53.45 H new ATOM 0 HD13 LEU A 60 -1.954 0.281 4.404 1.00 53.45 H new ATOM 0 HD21 LEU A 60 -2.781 3.053 3.341 1.00 10.04 H new ATOM 0 HD22 LEU A 60 -1.178 2.696 4.027 1.00 10.04 H new ATOM 0 HD23 LEU A 60 -1.312 3.390 2.394 1.00 10.04 H new