USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 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 52 GLN : amide:sc= -0.0321 K(o=0.063,f=-2.3!) USER MOD Set 1.2: A 56 LYS NZ :NH3+ 177:sc= 0.0954 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 121:sc= 0.212 (180deg=-0.453) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.86) 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 84:sc= 1.17 USER MOD Single : A 19 ASN : amide:sc= -0.065 X(o=-0.065,f=-0.065) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -70:sc= -0.259 USER MOD Single : A 39 SER OG : rot -156:sc= -1.3 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -107:sc= -1.39 (180deg=-4.2!) USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0623) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0499 K(o=-0.05,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.878 0.612 0.130 1.00 52.42 N ATOM 2 CA LEU A 1 2.691 0.876 -1.052 1.00 71.45 C ATOM 3 C LEU A 1 2.771 -0.359 -1.944 1.00 74.24 C ATOM 4 O LEU A 1 2.473 -0.297 -3.137 1.00 42.44 O ATOM 5 CB LEU A 1 4.098 1.313 -0.641 1.00 53.20 C ATOM 6 CG LEU A 1 4.237 2.757 -0.159 1.00 2.44 C ATOM 7 CD1 LEU A 1 5.607 2.983 0.463 1.00 34.44 C ATOM 8 CD2 LEU A 1 4.005 3.728 -1.307 1.00 51.22 C ATOM 0 H1 LEU A 1 2.449 0.767 0.986 1.00 52.42 H new ATOM 0 HA LEU A 1 2.218 1.680 -1.616 1.00 71.45 H new ATOM 0 HB2 LEU A 1 4.445 0.651 0.152 1.00 53.20 H new ATOM 0 HB3 LEU A 1 4.765 1.169 -1.491 1.00 53.20 H new ATOM 0 HG LEU A 1 3.479 2.939 0.603 1.00 2.44 H new ATOM 0 HD11 LEU A 1 5.687 4.016 0.800 1.00 34.44 H new ATOM 0 HD12 LEU A 1 5.736 2.313 1.313 1.00 34.44 H new ATOM 0 HD13 LEU A 1 6.381 2.782 -0.278 1.00 34.44 H new ATOM 0 HD21 LEU A 1 4.108 4.751 -0.945 1.00 51.22 H new ATOM 0 HD22 LEU A 1 4.739 3.545 -2.092 1.00 51.22 H new ATOM 0 HD23 LEU A 1 3.002 3.584 -1.708 1.00 51.22 H new ATOM 20 N VAL A 2 3.172 -1.482 -1.357 1.00 62.22 N ATOM 21 CA VAL A 2 3.288 -2.733 -2.098 1.00 13.14 C ATOM 22 C VAL A 2 1.932 -3.184 -2.629 1.00 71.12 C ATOM 23 O VAL A 2 1.791 -3.503 -3.809 1.00 44.35 O ATOM 24 CB VAL A 2 3.881 -3.852 -1.221 1.00 10.55 C ATOM 25 CG1 VAL A 2 3.963 -5.155 -2.000 1.00 43.24 C ATOM 26 CG2 VAL A 2 5.250 -3.447 -0.696 1.00 45.02 C ATOM 0 H VAL A 2 3.422 -1.551 -0.371 1.00 62.22 H new ATOM 0 HA VAL A 2 3.959 -2.544 -2.936 1.00 13.14 H new ATOM 0 HB VAL A 2 3.222 -4.009 -0.367 1.00 10.55 H new ATOM 0 HG11 VAL A 2 4.384 -5.933 -1.364 1.00 43.24 H new ATOM 0 HG12 VAL A 2 2.964 -5.450 -2.321 1.00 43.24 H new ATOM 0 HG13 VAL A 2 4.599 -5.017 -2.874 1.00 43.24 H new ATOM 0 HG21 VAL A 2 5.655 -4.249 -0.078 1.00 45.02 H new ATOM 0 HG22 VAL A 2 5.921 -3.261 -1.535 1.00 45.02 H new ATOM 0 HG23 VAL A 2 5.157 -2.540 -0.098 1.00 45.02 H new ATOM 36 N ALA A 3 0.936 -3.208 -1.750 1.00 31.23 N ATOM 37 CA ALA A 3 -0.410 -3.618 -2.131 1.00 11.11 C ATOM 38 C ALA A 3 -1.010 -2.653 -3.147 1.00 54.34 C ATOM 39 O ALA A 3 -1.801 -3.050 -4.003 1.00 74.03 O ATOM 40 CB ALA A 3 -1.301 -3.714 -0.901 1.00 42.31 C ATOM 0 H ALA A 3 1.036 -2.948 -0.769 1.00 31.23 H new ATOM 0 HA ALA A 3 -0.346 -4.601 -2.597 1.00 11.11 H new ATOM 0 HB1 ALA A 3 -2.303 -4.021 -1.201 1.00 42.31 H new ATOM 0 HB2 ALA A 3 -0.888 -4.448 -0.209 1.00 42.31 H new ATOM 0 HB3 ALA A 3 -1.351 -2.742 -0.411 1.00 42.31 H new ATOM 46 N TYR A 4 -0.631 -1.384 -3.047 1.00 45.22 N ATOM 47 CA TYR A 4 -1.134 -0.361 -3.956 1.00 72.13 C ATOM 48 C TYR A 4 -0.489 -0.490 -5.333 1.00 5.24 C ATOM 49 O TYR A 4 -1.176 -0.530 -6.352 1.00 42.52 O ATOM 50 CB TYR A 4 -0.871 1.033 -3.385 1.00 43.23 C ATOM 51 CG TYR A 4 -2.063 1.632 -2.674 1.00 72.41 C ATOM 52 CD1 TYR A 4 -3.297 1.727 -3.305 1.00 13.31 C ATOM 53 CD2 TYR A 4 -1.956 2.101 -1.370 1.00 62.55 C ATOM 54 CE1 TYR A 4 -4.389 2.274 -2.659 1.00 52.11 C ATOM 55 CE2 TYR A 4 -3.043 2.647 -0.716 1.00 43.53 C ATOM 56 CZ TYR A 4 -4.257 2.733 -1.365 1.00 30.51 C ATOM 57 OH TYR A 4 -5.343 3.277 -0.718 1.00 23.54 O ATOM 0 H TYR A 4 0.023 -1.039 -2.345 1.00 45.22 H new ATOM 0 HA TYR A 4 -2.209 -0.504 -4.064 1.00 72.13 H new ATOM 0 HB2 TYR A 4 -0.033 0.979 -2.690 1.00 43.23 H new ATOM 0 HB3 TYR A 4 -0.571 1.697 -4.195 1.00 43.23 H new ATOM 0 HD1 TYR A 4 -3.405 1.367 -4.318 1.00 13.31 H new ATOM 0 HD2 TYR A 4 -1.006 2.037 -0.859 1.00 62.55 H new ATOM 0 HE1 TYR A 4 -5.341 2.342 -3.165 1.00 52.11 H new ATOM 0 HE2 TYR A 4 -2.943 3.005 0.298 1.00 43.53 H new ATOM 0 HH TYR A 4 -5.082 3.550 0.186 1.00 23.54 H new ATOM 67 N GLY A 5 0.839 -0.555 -5.352 1.00 64.14 N ATOM 68 CA GLY A 5 1.557 -0.679 -6.607 1.00 64.24 C ATOM 69 C GLY A 5 3.017 -0.291 -6.481 1.00 63.40 C ATOM 70 O GLY A 5 3.498 0.585 -7.201 1.00 21.45 O ATOM 0 H GLY A 5 1.430 -0.524 -4.521 1.00 64.14 H new ATOM 0 HA2 GLY A 5 1.487 -1.707 -6.962 1.00 64.24 H new ATOM 0 HA3 GLY A 5 1.081 -0.049 -7.358 1.00 64.24 H new ATOM 74 N ILE A 6 3.724 -0.943 -5.564 1.00 34.34 N ATOM 75 CA ILE A 6 5.137 -0.661 -5.345 1.00 71.04 C ATOM 76 C ILE A 6 5.940 -1.950 -5.209 1.00 2.14 C ATOM 77 O ILE A 6 5.476 -2.922 -4.613 1.00 64.15 O ATOM 78 CB ILE A 6 5.351 0.200 -4.087 1.00 1.32 C ATOM 79 CG1 ILE A 6 4.601 1.527 -4.216 1.00 54.34 C ATOM 80 CG2 ILE A 6 6.835 0.445 -3.859 1.00 3.01 C ATOM 81 CD1 ILE A 6 5.127 2.414 -5.323 1.00 61.33 C ATOM 0 H ILE A 6 3.341 -1.671 -4.960 1.00 34.34 H new ATOM 0 HA ILE A 6 5.487 -0.108 -6.217 1.00 71.04 H new ATOM 0 HB ILE A 6 4.954 -0.338 -3.226 1.00 1.32 H new ATOM 0 HG12 ILE A 6 3.546 1.322 -4.396 1.00 54.34 H new ATOM 0 HG13 ILE A 6 4.665 2.064 -3.270 1.00 54.34 H new ATOM 0 HG21 ILE A 6 6.970 1.055 -2.966 1.00 3.01 H new ATOM 0 HG22 ILE A 6 7.345 -0.509 -3.727 1.00 3.01 H new ATOM 0 HG23 ILE A 6 7.255 0.965 -4.720 1.00 3.01 H new ATOM 0 HD11 ILE A 6 4.548 3.337 -5.356 1.00 61.33 H new ATOM 0 HD12 ILE A 6 6.174 2.649 -5.134 1.00 61.33 H new ATOM 0 HD13 ILE A 6 5.038 1.896 -6.278 1.00 61.33 H new ATOM 93 N ALA A 7 7.148 -1.949 -5.762 1.00 63.33 N ATOM 94 CA ALA A 7 8.018 -3.117 -5.699 1.00 23.12 C ATOM 95 C ALA A 7 8.166 -3.614 -4.265 1.00 30.41 C ATOM 96 O ALA A 7 8.089 -2.833 -3.317 1.00 62.21 O ATOM 97 CB ALA A 7 9.382 -2.792 -6.290 1.00 2.12 C ATOM 0 H ALA A 7 7.547 -1.152 -6.259 1.00 63.33 H new ATOM 0 HA ALA A 7 7.560 -3.913 -6.287 1.00 23.12 H new ATOM 0 HB1 ALA A 7 10.021 -3.673 -6.236 1.00 2.12 H new ATOM 0 HB2 ALA A 7 9.265 -2.491 -7.331 1.00 2.12 H new ATOM 0 HB3 ALA A 7 9.838 -1.978 -5.726 1.00 2.12 H new ATOM 103 N GLN A 8 8.377 -4.918 -4.114 1.00 43.13 N ATOM 104 CA GLN A 8 8.534 -5.518 -2.795 1.00 20.41 C ATOM 105 C GLN A 8 9.832 -5.060 -2.139 1.00 24.21 C ATOM 106 O GLN A 8 9.823 -4.504 -1.042 1.00 14.33 O ATOM 107 CB GLN A 8 8.513 -7.044 -2.900 1.00 72.30 C ATOM 108 CG GLN A 8 8.328 -7.744 -1.563 1.00 4.20 C ATOM 109 CD GLN A 8 7.737 -9.132 -1.707 1.00 62.33 C ATOM 110 OE1 GLN A 8 7.751 -9.716 -2.792 1.00 14.43 O ATOM 111 NE2 GLN A 8 7.214 -9.670 -0.612 1.00 21.13 N ATOM 0 H GLN A 8 8.443 -5.578 -4.889 1.00 43.13 H new ATOM 0 HA GLN A 8 7.700 -5.192 -2.174 1.00 20.41 H new ATOM 0 HB2 GLN A 8 7.708 -7.343 -3.571 1.00 72.30 H new ATOM 0 HB3 GLN A 8 9.446 -7.382 -3.351 1.00 72.30 H new ATOM 0 HG2 GLN A 8 9.291 -7.814 -1.058 1.00 4.20 H new ATOM 0 HG3 GLN A 8 7.679 -7.141 -0.928 1.00 4.20 H new ATOM 0 HE21 GLN A 8 7.224 -9.151 0.266 1.00 21.13 H new ATOM 0 HE22 GLN A 8 6.802 -10.603 -0.649 1.00 21.13 H new ATOM 120 N GLY A 9 10.950 -5.299 -2.819 1.00 52.51 N ATOM 121 CA GLY A 9 12.241 -4.904 -2.286 1.00 72.34 C ATOM 122 C GLY A 9 12.416 -3.399 -2.246 1.00 63.21 C ATOM 123 O GLY A 9 13.034 -2.862 -1.326 1.00 22.31 O ATOM 0 H GLY A 9 10.984 -5.759 -3.729 1.00 52.51 H new ATOM 0 HA2 GLY A 9 12.354 -5.307 -1.279 1.00 72.34 H new ATOM 0 HA3 GLY A 9 13.032 -5.343 -2.895 1.00 72.34 H new ATOM 127 N THR A 10 11.873 -2.714 -3.248 1.00 33.44 N ATOM 128 CA THR A 10 11.975 -1.263 -3.325 1.00 15.42 C ATOM 129 C THR A 10 11.054 -0.592 -2.311 1.00 70.34 C ATOM 130 O THR A 10 11.304 0.533 -1.882 1.00 15.54 O ATOM 131 CB THR A 10 11.627 -0.749 -4.735 1.00 23.30 C ATOM 132 OG1 THR A 10 12.410 -1.441 -5.715 1.00 34.24 O ATOM 133 CG2 THR A 10 11.878 0.747 -4.843 1.00 41.21 C ATOM 0 H THR A 10 11.358 -3.142 -4.017 1.00 33.44 H new ATOM 0 HA THR A 10 13.010 -1.007 -3.098 1.00 15.42 H new ATOM 0 HB THR A 10 10.569 -0.938 -4.916 1.00 23.30 H new ATOM 0 HG1 THR A 10 12.182 -1.110 -6.609 1.00 34.24 H new ATOM 0 HG21 THR A 10 11.625 1.087 -5.847 1.00 41.21 H new ATOM 0 HG22 THR A 10 11.260 1.273 -4.116 1.00 41.21 H new ATOM 0 HG23 THR A 10 12.929 0.955 -4.644 1.00 41.21 H new ATOM 141 N ALA A 11 9.989 -1.292 -1.933 1.00 1.31 N ATOM 142 CA ALA A 11 9.033 -0.765 -0.967 1.00 53.44 C ATOM 143 C ALA A 11 9.740 -0.255 0.284 1.00 50.13 C ATOM 144 O ALA A 11 9.344 0.756 0.863 1.00 74.12 O ATOM 145 CB ALA A 11 8.011 -1.831 -0.601 1.00 52.30 C ATOM 0 H ALA A 11 9.767 -2.225 -2.281 1.00 1.31 H new ATOM 0 HA ALA A 11 8.515 0.076 -1.428 1.00 53.44 H new ATOM 0 HB1 ALA A 11 7.303 -1.424 0.121 1.00 52.30 H new ATOM 0 HB2 ALA A 11 7.475 -2.144 -1.497 1.00 52.30 H new ATOM 0 HB3 ALA A 11 8.521 -2.690 -0.164 1.00 52.30 H new ATOM 151 N GLU A 12 10.788 -0.962 0.695 1.00 1.30 N ATOM 152 CA GLU A 12 11.549 -0.580 1.879 1.00 32.11 C ATOM 153 C GLU A 12 12.375 0.675 1.614 1.00 63.14 C ATOM 154 O GLU A 12 12.557 1.512 2.498 1.00 34.23 O ATOM 155 CB GLU A 12 12.466 -1.725 2.314 1.00 35.25 C ATOM 156 CG GLU A 12 12.747 -1.746 3.808 1.00 52.35 C ATOM 157 CD GLU A 12 14.105 -2.334 4.137 1.00 32.23 C ATOM 158 OE1 GLU A 12 15.098 -1.931 3.497 1.00 60.41 O ATOM 159 OE2 GLU A 12 14.174 -3.198 5.037 1.00 53.02 O ATOM 0 H GLU A 12 11.129 -1.801 0.226 1.00 1.30 H new ATOM 0 HA GLU A 12 10.842 -0.366 2.680 1.00 32.11 H new ATOM 0 HB2 GLU A 12 12.012 -2.673 2.025 1.00 35.25 H new ATOM 0 HB3 GLU A 12 13.411 -1.647 1.776 1.00 35.25 H new ATOM 0 HG2 GLU A 12 12.691 -0.730 4.199 1.00 52.35 H new ATOM 0 HG3 GLU A 12 11.973 -2.325 4.312 1.00 52.35 H new ATOM 166 N LYS A 13 12.875 0.799 0.389 1.00 62.32 N ATOM 167 CA LYS A 13 13.682 1.951 0.004 1.00 22.41 C ATOM 168 C LYS A 13 12.831 3.214 -0.060 1.00 54.52 C ATOM 169 O LYS A 13 13.145 4.220 0.576 1.00 2.14 O ATOM 170 CB LYS A 13 14.349 1.703 -1.351 1.00 32.51 C ATOM 171 CG LYS A 13 15.189 0.438 -1.393 1.00 21.11 C ATOM 172 CD LYS A 13 16.000 0.349 -2.675 1.00 52.40 C ATOM 173 CE LYS A 13 17.110 -0.684 -2.562 1.00 41.12 C ATOM 174 NZ LYS A 13 18.323 -0.125 -1.902 1.00 74.42 N ATOM 0 H LYS A 13 12.735 0.115 -0.355 1.00 62.32 H new ATOM 0 HA LYS A 13 14.453 2.092 0.761 1.00 22.41 H new ATOM 0 HB2 LYS A 13 13.579 1.643 -2.120 1.00 32.51 H new ATOM 0 HB3 LYS A 13 14.980 2.557 -1.597 1.00 32.51 H new ATOM 0 HG2 LYS A 13 15.860 0.417 -0.535 1.00 21.11 H new ATOM 0 HG3 LYS A 13 14.540 -0.434 -1.311 1.00 21.11 H new ATOM 0 HD2 LYS A 13 15.343 0.089 -3.505 1.00 52.40 H new ATOM 0 HD3 LYS A 13 16.431 1.324 -2.903 1.00 52.40 H new ATOM 0 HE2 LYS A 13 16.751 -1.542 -1.994 1.00 41.12 H new ATOM 0 HE3 LYS A 13 17.372 -1.046 -3.556 1.00 41.12 H new ATOM 0 HZ1 LYS A 13 19.057 -0.860 -1.844 1.00 74.42 H new ATOM 0 HZ2 LYS A 13 18.681 0.678 -2.457 1.00 74.42 H new ATOM 0 HZ3 LYS A 13 18.079 0.197 -0.944 1.00 74.42 H new ATOM 188 N VAL A 14 11.750 3.156 -0.832 1.00 31.10 N ATOM 189 CA VAL A 14 10.851 4.295 -0.977 1.00 64.11 C ATOM 190 C VAL A 14 10.403 4.818 0.383 1.00 72.21 C ATOM 191 O VAL A 14 10.376 6.026 0.618 1.00 62.03 O ATOM 192 CB VAL A 14 9.608 3.927 -1.809 1.00 24.11 C ATOM 193 CG1 VAL A 14 8.929 2.692 -1.237 1.00 24.12 C ATOM 194 CG2 VAL A 14 8.640 5.099 -1.867 1.00 5.02 C ATOM 0 H VAL A 14 11.476 2.332 -1.367 1.00 31.10 H new ATOM 0 HA VAL A 14 11.409 5.074 -1.497 1.00 64.11 H new ATOM 0 HB VAL A 14 9.927 3.698 -2.826 1.00 24.11 H new ATOM 0 HG11 VAL A 14 8.053 2.447 -1.838 1.00 24.12 H new ATOM 0 HG12 VAL A 14 9.626 1.854 -1.253 1.00 24.12 H new ATOM 0 HG13 VAL A 14 8.621 2.889 -0.210 1.00 24.12 H new ATOM 0 HG21 VAL A 14 7.768 4.821 -2.459 1.00 5.02 H new ATOM 0 HG22 VAL A 14 8.325 5.361 -0.857 1.00 5.02 H new ATOM 0 HG23 VAL A 14 9.133 5.956 -2.327 1.00 5.02 H new ATOM 204 N VAL A 15 10.051 3.899 1.277 1.00 11.42 N ATOM 205 CA VAL A 15 9.605 4.267 2.616 1.00 54.14 C ATOM 206 C VAL A 15 10.683 5.048 3.359 1.00 35.42 C ATOM 207 O VAL A 15 10.404 6.075 3.978 1.00 23.42 O ATOM 208 CB VAL A 15 9.224 3.024 3.442 1.00 42.03 C ATOM 209 CG1 VAL A 15 8.977 3.403 4.894 1.00 64.20 C ATOM 210 CG2 VAL A 15 8.002 2.342 2.845 1.00 24.20 C ATOM 0 H VAL A 15 10.066 2.895 1.098 1.00 11.42 H new ATOM 0 HA VAL A 15 8.724 4.897 2.494 1.00 54.14 H new ATOM 0 HB VAL A 15 10.056 2.320 3.412 1.00 42.03 H new ATOM 0 HG11 VAL A 15 8.709 2.512 5.462 1.00 64.20 H new ATOM 0 HG12 VAL A 15 9.882 3.843 5.314 1.00 64.20 H new ATOM 0 HG13 VAL A 15 8.163 4.126 4.948 1.00 64.20 H new ATOM 0 HG21 VAL A 15 7.747 1.466 3.441 1.00 24.20 H new ATOM 0 HG22 VAL A 15 7.162 3.037 2.843 1.00 24.20 H new ATOM 0 HG23 VAL A 15 8.220 2.034 1.822 1.00 24.20 H new ATOM 220 N SER A 16 11.915 4.554 3.294 1.00 72.53 N ATOM 221 CA SER A 16 13.035 5.203 3.964 1.00 63.12 C ATOM 222 C SER A 16 13.146 6.665 3.544 1.00 51.42 C ATOM 223 O SER A 16 13.552 7.521 4.332 1.00 75.03 O ATOM 224 CB SER A 16 14.340 4.470 3.648 1.00 63.43 C ATOM 225 OG SER A 16 14.217 3.080 3.894 1.00 30.43 O ATOM 0 H SER A 16 12.163 3.706 2.784 1.00 72.53 H new ATOM 0 HA SER A 16 12.855 5.164 5.038 1.00 63.12 H new ATOM 0 HB2 SER A 16 14.610 4.635 2.605 1.00 63.43 H new ATOM 0 HB3 SER A 16 15.147 4.880 4.255 1.00 63.43 H new ATOM 0 HG SER A 16 13.812 2.645 3.115 1.00 30.43 H new ATOM 231 N LEU A 17 12.782 6.945 2.297 1.00 4.21 N ATOM 232 CA LEU A 17 12.840 8.304 1.770 1.00 1.41 C ATOM 233 C LEU A 17 11.750 9.175 2.388 1.00 63.40 C ATOM 234 O LEU A 17 11.903 10.391 2.500 1.00 2.30 O ATOM 235 CB LEU A 17 12.694 8.289 0.248 1.00 60.35 C ATOM 236 CG LEU A 17 13.904 8.779 -0.548 1.00 2.41 C ATOM 237 CD1 LEU A 17 13.674 8.592 -2.040 1.00 1.45 C ATOM 238 CD2 LEU A 17 14.195 10.239 -0.230 1.00 62.21 C ATOM 0 H LEU A 17 12.444 6.249 1.632 1.00 4.21 H new ATOM 0 HA LEU A 17 13.810 8.727 2.032 1.00 1.41 H new ATOM 0 HB2 LEU A 17 12.467 7.270 -0.065 1.00 60.35 H new ATOM 0 HB3 LEU A 17 11.835 8.904 -0.020 1.00 60.35 H new ATOM 0 HG LEU A 17 14.770 8.184 -0.258 1.00 2.41 H new ATOM 0 HD11 LEU A 17 14.546 8.946 -2.590 1.00 1.45 H new ATOM 0 HD12 LEU A 17 13.515 7.535 -2.254 1.00 1.45 H new ATOM 0 HD13 LEU A 17 12.796 9.160 -2.347 1.00 1.45 H new ATOM 0 HD21 LEU A 17 15.059 10.571 -0.805 1.00 62.21 H new ATOM 0 HD22 LEU A 17 13.329 10.848 -0.491 1.00 62.21 H new ATOM 0 HD23 LEU A 17 14.405 10.345 0.834 1.00 62.21 H new ATOM 250 N ILE A 18 10.652 8.543 2.789 1.00 63.12 N ATOM 251 CA ILE A 18 9.539 9.259 3.398 1.00 11.35 C ATOM 252 C ILE A 18 9.944 9.868 4.737 1.00 75.31 C ATOM 253 O ILE A 18 9.705 11.047 4.991 1.00 11.44 O ATOM 254 CB ILE A 18 8.325 8.336 3.613 1.00 21.11 C ATOM 255 CG1 ILE A 18 8.037 7.533 2.343 1.00 73.01 C ATOM 256 CG2 ILE A 18 7.106 9.150 4.020 1.00 31.31 C ATOM 257 CD1 ILE A 18 6.816 6.647 2.453 1.00 71.45 C ATOM 0 H ILE A 18 10.510 7.537 2.703 1.00 63.12 H new ATOM 0 HA ILE A 18 9.261 10.056 2.708 1.00 11.35 H new ATOM 0 HB ILE A 18 8.556 7.638 4.417 1.00 21.11 H new ATOM 0 HG12 ILE A 18 7.902 8.222 1.510 1.00 73.01 H new ATOM 0 HG13 ILE A 18 8.904 6.916 2.109 1.00 73.01 H new ATOM 0 HG21 ILE A 18 6.256 8.483 4.168 1.00 31.31 H new ATOM 0 HG22 ILE A 18 7.317 9.681 4.948 1.00 31.31 H new ATOM 0 HG23 ILE A 18 6.870 9.869 3.236 1.00 31.31 H new ATOM 0 HD11 ILE A 18 6.672 6.108 1.517 1.00 71.45 H new ATOM 0 HD12 ILE A 18 6.956 5.933 3.265 1.00 71.45 H new ATOM 0 HD13 ILE A 18 5.938 7.261 2.657 1.00 71.45 H new ATOM 269 N ASN A 19 10.559 9.054 5.589 1.00 42.04 N ATOM 270 CA ASN A 19 10.999 9.512 6.901 1.00 11.44 C ATOM 271 C ASN A 19 11.974 10.678 6.772 1.00 43.41 C ATOM 272 O ASN A 19 12.152 11.459 7.706 1.00 13.14 O ATOM 273 CB ASN A 19 11.657 8.365 7.671 1.00 10.41 C ATOM 274 CG ASN A 19 12.324 8.835 8.950 1.00 71.24 C ATOM 275 OD1 ASN A 19 11.660 9.315 9.869 1.00 64.40 O ATOM 276 ND2 ASN A 19 13.643 8.698 9.013 1.00 3.31 N ATOM 0 H ASN A 19 10.764 8.074 5.394 1.00 42.04 H new ATOM 0 HA ASN A 19 10.122 9.854 7.451 1.00 11.44 H new ATOM 0 HB2 ASN A 19 10.905 7.614 7.912 1.00 10.41 H new ATOM 0 HB3 ASN A 19 12.398 7.882 7.034 1.00 10.41 H new ATOM 0 HD21 ASN A 19 14.147 8.996 9.848 1.00 3.31 H new ATOM 0 HD22 ASN A 19 14.152 8.295 8.227 1.00 3.31 H new ATOM 283 N ALA A 20 12.604 10.790 5.607 1.00 74.43 N ATOM 284 CA ALA A 20 13.559 11.861 5.354 1.00 52.24 C ATOM 285 C ALA A 20 12.873 13.223 5.373 1.00 44.33 C ATOM 286 O ALA A 20 13.523 14.254 5.545 1.00 62.34 O ATOM 287 CB ALA A 20 14.260 11.640 4.021 1.00 32.45 C ATOM 0 H ALA A 20 12.470 10.151 4.823 1.00 74.43 H new ATOM 0 HA ALA A 20 14.303 11.846 6.150 1.00 52.24 H new ATOM 0 HB1 ALA A 20 14.970 12.448 3.845 1.00 32.45 H new ATOM 0 HB2 ALA A 20 14.791 10.688 4.042 1.00 32.45 H new ATOM 0 HB3 ALA A 20 13.521 11.626 3.219 1.00 32.45 H new ATOM 293 N GLY A 21 11.556 13.220 5.194 1.00 12.41 N ATOM 294 CA GLY A 21 10.805 14.462 5.193 1.00 14.15 C ATOM 295 C GLY A 21 10.685 15.066 3.809 1.00 55.45 C ATOM 296 O GLY A 21 10.289 16.224 3.660 1.00 62.51 O ATOM 0 H GLY A 21 10.996 12.380 5.050 1.00 12.41 H new ATOM 0 HA2 GLY A 21 9.808 14.280 5.594 1.00 14.15 H new ATOM 0 HA3 GLY A 21 11.291 15.177 5.857 1.00 14.15 H new ATOM 300 N LEU A 22 11.028 14.284 2.792 1.00 74.44 N ATOM 301 CA LEU A 22 10.958 14.749 1.411 1.00 71.34 C ATOM 302 C LEU A 22 9.513 14.797 0.925 1.00 51.24 C ATOM 303 O LEU A 22 8.653 14.072 1.425 1.00 33.24 O ATOM 304 CB LEU A 22 11.783 13.836 0.502 1.00 21.21 C ATOM 305 CG LEU A 22 13.245 14.236 0.297 1.00 33.04 C ATOM 306 CD1 LEU A 22 14.067 13.904 1.533 1.00 50.11 C ATOM 307 CD2 LEU A 22 13.820 13.545 -0.930 1.00 21.40 C ATOM 0 H LEU A 22 11.358 13.324 2.897 1.00 74.44 H new ATOM 0 HA LEU A 22 11.369 15.758 1.372 1.00 71.34 H new ATOM 0 HB2 LEU A 22 11.758 12.827 0.914 1.00 21.21 H new ATOM 0 HB3 LEU A 22 11.298 13.794 -0.473 1.00 21.21 H new ATOM 0 HG LEU A 22 13.288 15.313 0.136 1.00 33.04 H new ATOM 0 HD11 LEU A 22 15.104 14.195 1.369 1.00 50.11 H new ATOM 0 HD12 LEU A 22 13.669 14.446 2.391 1.00 50.11 H new ATOM 0 HD13 LEU A 22 14.017 12.832 1.726 1.00 50.11 H new ATOM 0 HD21 LEU A 22 14.861 13.841 -1.060 1.00 21.40 H new ATOM 0 HD22 LEU A 22 13.764 12.464 -0.799 1.00 21.40 H new ATOM 0 HD23 LEU A 22 13.248 13.833 -1.812 1.00 21.40 H new ATOM 319 N THR A 23 9.252 15.656 -0.056 1.00 62.24 N ATOM 320 CA THR A 23 7.912 15.799 -0.611 1.00 62.53 C ATOM 321 C THR A 23 7.589 14.656 -1.567 1.00 54.35 C ATOM 322 O THR A 23 8.451 14.197 -2.317 1.00 11.32 O ATOM 323 CB THR A 23 7.752 17.137 -1.356 1.00 42.30 C ATOM 324 OG1 THR A 23 8.967 17.466 -2.039 1.00 10.30 O ATOM 325 CG2 THR A 23 7.389 18.254 -0.389 1.00 45.42 C ATOM 0 H THR A 23 9.952 16.263 -0.482 1.00 62.24 H new ATOM 0 HA THR A 23 7.218 15.775 0.229 1.00 62.53 H new ATOM 0 HB THR A 23 6.946 17.030 -2.082 1.00 42.30 H new ATOM 0 HG1 THR A 23 8.856 18.317 -2.512 1.00 10.30 H new ATOM 0 HG21 THR A 23 7.281 19.190 -0.938 1.00 45.42 H new ATOM 0 HG22 THR A 23 6.449 18.014 0.108 1.00 45.42 H new ATOM 0 HG23 THR A 23 8.177 18.360 0.357 1.00 45.42 H new ATOM 333 N VAL A 24 6.340 14.201 -1.537 1.00 50.25 N ATOM 334 CA VAL A 24 5.902 13.113 -2.403 1.00 51.14 C ATOM 335 C VAL A 24 6.264 13.389 -3.858 1.00 63.44 C ATOM 336 O VAL A 24 6.505 12.465 -4.635 1.00 1.23 O ATOM 337 CB VAL A 24 4.382 12.889 -2.298 1.00 54.31 C ATOM 338 CG1 VAL A 24 3.960 11.686 -3.127 1.00 61.23 C ATOM 339 CG2 VAL A 24 3.968 12.717 -0.844 1.00 64.43 C ATOM 0 H VAL A 24 5.614 14.569 -0.922 1.00 50.25 H new ATOM 0 HA VAL A 24 6.419 12.214 -2.067 1.00 51.14 H new ATOM 0 HB VAL A 24 3.875 13.768 -2.695 1.00 54.31 H new ATOM 0 HG11 VAL A 24 2.883 11.544 -3.040 1.00 61.23 H new ATOM 0 HG12 VAL A 24 4.221 11.855 -4.172 1.00 61.23 H new ATOM 0 HG13 VAL A 24 4.474 10.796 -2.764 1.00 61.23 H new ATOM 0 HG21 VAL A 24 2.891 12.560 -0.789 1.00 64.43 H new ATOM 0 HG22 VAL A 24 4.483 11.856 -0.419 1.00 64.43 H new ATOM 0 HG23 VAL A 24 4.233 13.612 -0.282 1.00 64.43 H new ATOM 349 N GLY A 25 6.302 14.667 -4.221 1.00 52.24 N ATOM 350 CA GLY A 25 6.636 15.042 -5.583 1.00 3.31 C ATOM 351 C GLY A 25 7.986 14.505 -6.017 1.00 54.43 C ATOM 352 O GLY A 25 8.153 14.079 -7.160 1.00 30.32 O ATOM 0 H GLY A 25 6.108 15.450 -3.597 1.00 52.24 H new ATOM 0 HA2 GLY A 25 5.866 14.670 -6.259 1.00 3.31 H new ATOM 0 HA3 GLY A 25 6.636 16.129 -5.668 1.00 3.31 H new ATOM 356 N SER A 26 8.951 14.528 -5.104 1.00 65.34 N ATOM 357 CA SER A 26 10.295 14.044 -5.401 1.00 51.50 C ATOM 358 C SER A 26 10.283 12.546 -5.686 1.00 34.45 C ATOM 359 O SER A 26 11.139 12.033 -6.406 1.00 25.41 O ATOM 360 CB SER A 26 11.237 14.346 -4.234 1.00 64.12 C ATOM 361 OG SER A 26 12.584 14.412 -4.670 1.00 61.33 O ATOM 0 H SER A 26 8.828 14.876 -4.153 1.00 65.34 H new ATOM 0 HA SER A 26 10.653 14.562 -6.291 1.00 51.50 H new ATOM 0 HB2 SER A 26 10.955 15.291 -3.770 1.00 64.12 H new ATOM 0 HB3 SER A 26 11.136 13.574 -3.471 1.00 64.12 H new ATOM 0 HG SER A 26 13.166 14.608 -3.906 1.00 61.33 H new ATOM 367 N ILE A 27 9.305 11.850 -5.115 1.00 24.54 N ATOM 368 CA ILE A 27 9.180 10.410 -5.307 1.00 42.11 C ATOM 369 C ILE A 27 8.990 10.067 -6.781 1.00 3.12 C ATOM 370 O ILE A 27 9.578 9.110 -7.286 1.00 54.02 O ATOM 371 CB ILE A 27 8.000 9.835 -4.502 1.00 23.14 C ATOM 372 CG1 ILE A 27 8.131 10.212 -3.025 1.00 13.25 C ATOM 373 CG2 ILE A 27 7.935 8.324 -4.664 1.00 73.31 C ATOM 374 CD1 ILE A 27 9.332 9.592 -2.346 1.00 60.32 C ATOM 0 H ILE A 27 8.588 12.260 -4.516 1.00 24.54 H new ATOM 0 HA ILE A 27 10.107 9.962 -4.948 1.00 42.11 H new ATOM 0 HB ILE A 27 7.074 10.262 -4.887 1.00 23.14 H new ATOM 0 HG12 ILE A 27 8.196 11.297 -2.940 1.00 13.25 H new ATOM 0 HG13 ILE A 27 7.227 9.904 -2.499 1.00 13.25 H new ATOM 0 HG21 ILE A 27 7.096 7.932 -4.089 1.00 73.31 H new ATOM 0 HG22 ILE A 27 7.801 8.076 -5.717 1.00 73.31 H new ATOM 0 HG23 ILE A 27 8.862 7.879 -4.302 1.00 73.31 H new ATOM 0 HD11 ILE A 27 9.360 9.903 -1.302 1.00 60.32 H new ATOM 0 HD12 ILE A 27 9.259 8.506 -2.399 1.00 60.32 H new ATOM 0 HD13 ILE A 27 10.243 9.920 -2.847 1.00 60.32 H new ATOM 386 N ILE A 28 8.168 10.855 -7.465 1.00 1.32 N ATOM 387 CA ILE A 28 7.903 10.637 -8.881 1.00 65.34 C ATOM 388 C ILE A 28 9.195 10.657 -9.692 1.00 23.35 C ATOM 389 O ILE A 28 9.396 9.828 -10.580 1.00 10.43 O ATOM 390 CB ILE A 28 6.941 11.699 -9.445 1.00 31.22 C ATOM 391 CG1 ILE A 28 5.638 11.714 -8.643 1.00 10.41 C ATOM 392 CG2 ILE A 28 6.661 11.432 -10.916 1.00 55.22 C ATOM 393 CD1 ILE A 28 4.774 12.925 -8.918 1.00 12.24 C ATOM 0 H ILE A 28 7.674 11.651 -7.061 1.00 1.32 H new ATOM 0 HA ILE A 28 7.438 9.655 -8.966 1.00 65.34 H new ATOM 0 HB ILE A 28 7.411 12.678 -9.357 1.00 31.22 H new ATOM 0 HG12 ILE A 28 5.070 10.813 -8.872 1.00 10.41 H new ATOM 0 HG13 ILE A 28 5.875 11.680 -7.580 1.00 10.41 H new ATOM 0 HG21 ILE A 28 5.980 12.191 -11.300 1.00 55.22 H new ATOM 0 HG22 ILE A 28 7.595 11.466 -11.476 1.00 55.22 H new ATOM 0 HG23 ILE A 28 6.207 10.447 -11.027 1.00 55.22 H new ATOM 0 HD11 ILE A 28 3.867 12.869 -8.316 1.00 12.24 H new ATOM 0 HD12 ILE A 28 5.325 13.830 -8.662 1.00 12.24 H new ATOM 0 HD13 ILE A 28 4.507 12.949 -9.974 1.00 12.24 H new ATOM 405 N SER A 29 10.069 11.608 -9.378 1.00 25.53 N ATOM 406 CA SER A 29 11.342 11.737 -10.078 1.00 1.14 C ATOM 407 C SER A 29 12.137 10.437 -10.004 1.00 42.04 C ATOM 408 O SER A 29 12.899 10.111 -10.915 1.00 72.43 O ATOM 409 CB SER A 29 12.162 12.884 -9.482 1.00 35.51 C ATOM 410 OG SER A 29 11.513 14.128 -9.675 1.00 54.42 O ATOM 0 H SER A 29 9.919 12.300 -8.644 1.00 25.53 H new ATOM 0 HA SER A 29 11.132 11.955 -11.125 1.00 1.14 H new ATOM 0 HB2 SER A 29 12.314 12.711 -8.417 1.00 35.51 H new ATOM 0 HB3 SER A 29 13.148 12.909 -9.945 1.00 35.51 H new ATOM 0 HG SER A 29 12.056 14.844 -9.284 1.00 54.42 H new ATOM 416 N ILE A 30 11.954 9.700 -8.914 1.00 61.34 N ATOM 417 CA ILE A 30 12.653 8.435 -8.722 1.00 32.00 C ATOM 418 C ILE A 30 12.138 7.370 -9.685 1.00 0.51 C ATOM 419 O ILE A 30 12.893 6.837 -10.499 1.00 73.12 O ATOM 420 CB ILE A 30 12.501 7.922 -7.278 1.00 34.31 C ATOM 421 CG1 ILE A 30 12.963 8.988 -6.283 1.00 41.20 C ATOM 422 CG2 ILE A 30 13.289 6.634 -7.087 1.00 51.55 C ATOM 423 CD1 ILE A 30 14.412 9.387 -6.455 1.00 50.31 C ATOM 0 H ILE A 30 11.328 9.957 -8.151 1.00 61.34 H new ATOM 0 HA ILE A 30 13.708 8.623 -8.923 1.00 32.00 H new ATOM 0 HB ILE A 30 11.448 7.711 -7.093 1.00 34.31 H new ATOM 0 HG12 ILE A 30 12.335 9.872 -6.393 1.00 41.20 H new ATOM 0 HG13 ILE A 30 12.815 8.616 -5.269 1.00 41.20 H new ATOM 0 HG21 ILE A 30 13.171 6.284 -6.061 1.00 51.55 H new ATOM 0 HG22 ILE A 30 12.917 5.874 -7.774 1.00 51.55 H new ATOM 0 HG23 ILE A 30 14.344 6.820 -7.288 1.00 51.55 H new ATOM 0 HD11 ILE A 30 14.671 10.146 -5.717 1.00 50.31 H new ATOM 0 HD12 ILE A 30 15.049 8.513 -6.316 1.00 50.31 H new ATOM 0 HD13 ILE A 30 14.562 9.789 -7.457 1.00 50.31 H new ATOM 435 N LEU A 31 10.848 7.067 -9.588 1.00 24.12 N ATOM 436 CA LEU A 31 10.231 6.067 -10.452 1.00 33.12 C ATOM 437 C LEU A 31 10.424 6.424 -11.922 1.00 73.42 C ATOM 438 O LEU A 31 10.711 5.559 -12.749 1.00 35.11 O ATOM 439 CB LEU A 31 8.739 5.944 -10.137 1.00 31.43 C ATOM 440 CG LEU A 31 8.352 4.855 -9.135 1.00 61.22 C ATOM 441 CD1 LEU A 31 8.776 3.486 -9.644 1.00 44.14 C ATOM 442 CD2 LEU A 31 8.974 5.136 -7.775 1.00 52.10 C ATOM 0 H LEU A 31 10.210 7.499 -8.920 1.00 24.12 H new ATOM 0 HA LEU A 31 10.717 5.110 -10.263 1.00 33.12 H new ATOM 0 HB2 LEU A 31 8.389 6.903 -9.755 1.00 31.43 H new ATOM 0 HB3 LEU A 31 8.205 5.758 -11.069 1.00 31.43 H new ATOM 0 HG LEU A 31 7.268 4.859 -9.024 1.00 61.22 H new ATOM 0 HD11 LEU A 31 8.492 2.724 -8.918 1.00 44.14 H new ATOM 0 HD12 LEU A 31 8.283 3.283 -10.595 1.00 44.14 H new ATOM 0 HD13 LEU A 31 9.857 3.469 -9.785 1.00 44.14 H new ATOM 0 HD21 LEU A 31 8.688 4.351 -7.075 1.00 52.10 H new ATOM 0 HD22 LEU A 31 10.060 5.160 -7.869 1.00 52.10 H new ATOM 0 HD23 LEU A 31 8.621 6.099 -7.405 1.00 52.10 H new ATOM 454 N GLY A 32 10.266 7.705 -12.241 1.00 23.02 N ATOM 455 CA GLY A 32 10.429 8.154 -13.611 1.00 41.01 C ATOM 456 C GLY A 32 9.563 7.377 -14.583 1.00 21.03 C ATOM 457 O GLY A 32 9.986 7.075 -15.698 1.00 0.32 O ATOM 0 H GLY A 32 10.028 8.440 -11.575 1.00 23.02 H new ATOM 0 HA2 GLY A 32 10.181 9.213 -13.675 1.00 41.01 H new ATOM 0 HA3 GLY A 32 11.475 8.054 -13.901 1.00 41.01 H new ATOM 461 N GLY A 33 8.346 7.050 -14.158 1.00 2.32 N ATOM 462 CA GLY A 33 7.438 6.305 -15.010 1.00 24.41 C ATOM 463 C GLY A 33 5.986 6.654 -14.755 1.00 75.20 C ATOM 464 O GLY A 33 5.226 5.839 -14.231 1.00 62.30 O ATOM 0 H GLY A 33 7.973 7.288 -13.239 1.00 2.32 H new ATOM 0 HA2 GLY A 33 7.678 6.505 -16.054 1.00 24.41 H new ATOM 0 HA3 GLY A 33 7.586 5.237 -14.847 1.00 24.41 H new ATOM 468 N VAL A 34 5.597 7.870 -15.125 1.00 1.11 N ATOM 469 CA VAL A 34 4.226 8.326 -14.933 1.00 35.01 C ATOM 470 C VAL A 34 3.755 8.066 -13.506 1.00 74.05 C ATOM 471 O VAL A 34 2.683 7.500 -13.287 1.00 50.03 O ATOM 472 CB VAL A 34 3.261 7.634 -15.914 1.00 64.44 C ATOM 473 CG1 VAL A 34 1.915 8.342 -15.930 1.00 23.32 C ATOM 474 CG2 VAL A 34 3.865 7.587 -17.310 1.00 52.51 C ATOM 0 H VAL A 34 6.213 8.557 -15.560 1.00 1.11 H new ATOM 0 HA VAL A 34 4.220 9.399 -15.125 1.00 35.01 H new ATOM 0 HB VAL A 34 3.101 6.610 -15.577 1.00 64.44 H new ATOM 0 HG11 VAL A 34 1.247 7.838 -16.629 1.00 23.32 H new ATOM 0 HG12 VAL A 34 1.480 8.318 -14.931 1.00 23.32 H new ATOM 0 HG13 VAL A 34 2.052 9.377 -16.242 1.00 23.32 H new ATOM 0 HG21 VAL A 34 3.170 7.095 -17.991 1.00 52.51 H new ATOM 0 HG22 VAL A 34 4.056 8.602 -17.658 1.00 52.51 H new ATOM 0 HG23 VAL A 34 4.802 7.030 -17.283 1.00 52.51 H new ATOM 484 N THR A 35 4.563 8.484 -12.537 1.00 34.32 N ATOM 485 CA THR A 35 4.230 8.296 -11.130 1.00 73.25 C ATOM 486 C THR A 35 3.377 9.447 -10.609 1.00 5.03 C ATOM 487 O THR A 35 3.099 9.534 -9.413 1.00 11.13 O ATOM 488 CB THR A 35 5.498 8.177 -10.264 1.00 34.10 C ATOM 489 OG1 THR A 35 6.660 8.132 -11.100 1.00 34.04 O ATOM 490 CG2 THR A 35 5.444 6.930 -9.394 1.00 73.02 C ATOM 0 H THR A 35 5.453 8.955 -12.701 1.00 34.32 H new ATOM 0 HA THR A 35 3.664 7.367 -11.060 1.00 73.25 H new ATOM 0 HB THR A 35 5.552 9.051 -9.615 1.00 34.10 H new ATOM 0 HG1 THR A 35 6.685 7.278 -11.580 1.00 34.04 H new ATOM 0 HG21 THR A 35 6.350 6.867 -8.791 1.00 73.02 H new ATOM 0 HG22 THR A 35 4.575 6.981 -8.738 1.00 73.02 H new ATOM 0 HG23 THR A 35 5.368 6.047 -10.028 1.00 73.02 H new ATOM 498 N VAL A 36 2.965 10.329 -11.513 1.00 41.43 N ATOM 499 CA VAL A 36 2.142 11.475 -11.144 1.00 44.12 C ATOM 500 C VAL A 36 0.828 11.028 -10.514 1.00 62.22 C ATOM 501 O VAL A 36 0.187 11.784 -9.786 1.00 4.40 O ATOM 502 CB VAL A 36 1.838 12.364 -12.365 1.00 33.23 C ATOM 503 CG1 VAL A 36 1.022 13.579 -11.950 1.00 74.34 C ATOM 504 CG2 VAL A 36 3.128 12.787 -13.051 1.00 31.42 C ATOM 0 H VAL A 36 3.188 10.272 -12.507 1.00 41.43 H new ATOM 0 HA VAL A 36 2.712 12.053 -10.416 1.00 44.12 H new ATOM 0 HB VAL A 36 1.249 11.785 -13.076 1.00 33.23 H new ATOM 0 HG11 VAL A 36 0.817 14.196 -12.825 1.00 74.34 H new ATOM 0 HG12 VAL A 36 0.081 13.252 -11.508 1.00 74.34 H new ATOM 0 HG13 VAL A 36 1.583 14.162 -11.219 1.00 74.34 H new ATOM 0 HG21 VAL A 36 2.894 13.414 -13.911 1.00 31.42 H new ATOM 0 HG22 VAL A 36 3.746 13.348 -12.350 1.00 31.42 H new ATOM 0 HG23 VAL A 36 3.670 11.902 -13.384 1.00 31.42 H new ATOM 514 N GLY A 37 0.432 9.791 -10.800 1.00 31.03 N ATOM 515 CA GLY A 37 -0.804 9.263 -10.253 1.00 13.33 C ATOM 516 C GLY A 37 -0.608 8.615 -8.897 1.00 12.04 C ATOM 517 O GLY A 37 -1.506 8.638 -8.053 1.00 61.14 O ATOM 0 H GLY A 37 0.945 9.146 -11.401 1.00 31.03 H new ATOM 0 HA2 GLY A 37 -1.532 10.069 -10.165 1.00 13.33 H new ATOM 0 HA3 GLY A 37 -1.221 8.531 -10.945 1.00 13.33 H new ATOM 521 N LEU A 38 0.567 8.034 -8.685 1.00 63.31 N ATOM 522 CA LEU A 38 0.878 7.374 -7.422 1.00 24.03 C ATOM 523 C LEU A 38 0.938 8.384 -6.280 1.00 73.02 C ATOM 524 O LEU A 38 0.730 8.035 -5.118 1.00 50.21 O ATOM 525 CB LEU A 38 2.210 6.628 -7.527 1.00 74.05 C ATOM 526 CG LEU A 38 2.157 5.252 -8.193 1.00 41.41 C ATOM 527 CD1 LEU A 38 1.213 4.330 -7.438 1.00 61.30 C ATOM 528 CD2 LEU A 38 1.731 5.380 -9.648 1.00 54.03 C ATOM 0 H LEU A 38 1.321 8.006 -9.372 1.00 63.31 H new ATOM 0 HA LEU A 38 0.083 6.659 -7.210 1.00 24.03 H new ATOM 0 HB2 LEU A 38 2.910 7.252 -8.082 1.00 74.05 H new ATOM 0 HB3 LEU A 38 2.617 6.508 -6.523 1.00 74.05 H new ATOM 0 HG LEU A 38 3.156 4.817 -8.165 1.00 41.41 H new ATOM 0 HD11 LEU A 38 1.188 3.356 -7.926 1.00 61.30 H new ATOM 0 HD12 LEU A 38 1.562 4.213 -6.412 1.00 61.30 H new ATOM 0 HD13 LEU A 38 0.211 4.759 -7.434 1.00 61.30 H new ATOM 0 HD21 LEU A 38 1.699 4.391 -10.106 1.00 54.03 H new ATOM 0 HD22 LEU A 38 0.742 5.836 -9.699 1.00 54.03 H new ATOM 0 HD23 LEU A 38 2.446 6.005 -10.183 1.00 54.03 H new ATOM 540 N SER A 39 1.221 9.637 -6.620 1.00 55.51 N ATOM 541 CA SER A 39 1.309 10.698 -5.623 1.00 55.45 C ATOM 542 C SER A 39 0.058 10.728 -4.750 1.00 2.12 C ATOM 543 O SER A 39 0.145 10.772 -3.523 1.00 40.44 O ATOM 544 CB SER A 39 1.500 12.054 -6.306 1.00 74.04 C ATOM 545 OG SER A 39 2.875 12.368 -6.441 1.00 71.33 O ATOM 0 H SER A 39 1.393 9.943 -7.578 1.00 55.51 H new ATOM 0 HA SER A 39 2.171 10.495 -4.987 1.00 55.45 H new ATOM 0 HB2 SER A 39 1.029 12.039 -7.289 1.00 74.04 H new ATOM 0 HB3 SER A 39 1.002 12.830 -5.725 1.00 74.04 H new ATOM 0 HG SER A 39 2.983 13.339 -6.511 1.00 71.33 H new ATOM 551 N GLY A 40 -1.106 10.703 -5.392 1.00 41.30 N ATOM 552 CA GLY A 40 -2.358 10.728 -4.659 1.00 51.11 C ATOM 553 C GLY A 40 -2.494 9.559 -3.704 1.00 72.10 C ATOM 554 O GLY A 40 -3.296 9.600 -2.771 1.00 12.21 O ATOM 0 H GLY A 40 -1.204 10.666 -6.407 1.00 41.30 H new ATOM 0 HA2 GLY A 40 -2.429 11.661 -4.099 1.00 51.11 H new ATOM 0 HA3 GLY A 40 -3.189 10.715 -5.364 1.00 51.11 H new ATOM 558 N VAL A 41 -1.710 8.512 -3.938 1.00 23.45 N ATOM 559 CA VAL A 41 -1.746 7.325 -3.091 1.00 55.00 C ATOM 560 C VAL A 41 -0.680 7.393 -2.003 1.00 73.44 C ATOM 561 O VAL A 41 -0.918 7.000 -0.861 1.00 23.30 O ATOM 562 CB VAL A 41 -1.542 6.040 -3.916 1.00 1.50 C ATOM 563 CG1 VAL A 41 -1.554 4.817 -3.012 1.00 2.43 C ATOM 564 CG2 VAL A 41 -2.607 5.926 -4.996 1.00 34.14 C ATOM 0 H VAL A 41 -1.042 8.461 -4.707 1.00 23.45 H new ATOM 0 HA VAL A 41 -2.732 7.297 -2.627 1.00 55.00 H new ATOM 0 HB VAL A 41 -0.568 6.092 -4.403 1.00 1.50 H new ATOM 0 HG11 VAL A 41 -1.409 3.919 -3.613 1.00 2.43 H new ATOM 0 HG12 VAL A 41 -0.751 4.898 -2.280 1.00 2.43 H new ATOM 0 HG13 VAL A 41 -2.512 4.756 -2.495 1.00 2.43 H new ATOM 0 HG21 VAL A 41 -2.448 5.013 -5.569 1.00 34.14 H new ATOM 0 HG22 VAL A 41 -3.593 5.896 -4.533 1.00 34.14 H new ATOM 0 HG23 VAL A 41 -2.544 6.787 -5.661 1.00 34.14 H new ATOM 574 N PHE A 42 0.496 7.894 -2.366 1.00 12.02 N ATOM 575 CA PHE A 42 1.600 8.013 -1.421 1.00 0.22 C ATOM 576 C PHE A 42 1.157 8.741 -0.155 1.00 53.43 C ATOM 577 O PHE A 42 1.368 8.261 0.959 1.00 71.44 O ATOM 578 CB PHE A 42 2.773 8.755 -2.065 1.00 70.23 C ATOM 579 CG PHE A 42 4.115 8.312 -1.556 1.00 12.33 C ATOM 580 CD1 PHE A 42 4.555 7.015 -1.761 1.00 61.22 C ATOM 581 CD2 PHE A 42 4.936 9.194 -0.871 1.00 35.23 C ATOM 582 CE1 PHE A 42 5.790 6.604 -1.294 1.00 14.31 C ATOM 583 CE2 PHE A 42 6.171 8.789 -0.402 1.00 10.25 C ATOM 584 CZ PHE A 42 6.598 7.493 -0.612 1.00 70.43 C ATOM 0 H PHE A 42 0.709 8.224 -3.307 1.00 12.02 H new ATOM 0 HA PHE A 42 1.921 7.008 -1.148 1.00 0.22 H new ATOM 0 HB2 PHE A 42 2.736 8.609 -3.145 1.00 70.23 H new ATOM 0 HB3 PHE A 42 2.660 9.824 -1.884 1.00 70.23 H new ATOM 0 HD1 PHE A 42 3.926 6.316 -2.292 1.00 61.22 H new ATOM 0 HD2 PHE A 42 4.607 10.209 -0.702 1.00 35.23 H new ATOM 0 HE1 PHE A 42 6.122 5.590 -1.462 1.00 14.31 H new ATOM 0 HE2 PHE A 42 6.802 9.486 0.129 1.00 10.25 H new ATOM 0 HZ PHE A 42 7.562 7.175 -0.244 1.00 70.43 H new ATOM 594 N THR A 43 0.541 9.906 -0.335 1.00 32.13 N ATOM 595 CA THR A 43 0.069 10.702 0.791 1.00 51.41 C ATOM 596 C THR A 43 -0.835 9.882 1.704 1.00 1.22 C ATOM 597 O THR A 43 -0.757 9.988 2.928 1.00 60.23 O ATOM 598 CB THR A 43 -0.698 11.950 0.314 1.00 73.11 C ATOM 599 OG1 THR A 43 -1.246 12.648 1.438 1.00 61.21 O ATOM 600 CG2 THR A 43 -1.816 11.565 -0.644 1.00 21.43 C ATOM 0 H THR A 43 0.358 10.319 -1.250 1.00 32.13 H new ATOM 0 HA THR A 43 0.952 11.017 1.347 1.00 51.41 H new ATOM 0 HB THR A 43 0.002 12.600 -0.211 1.00 73.11 H new ATOM 0 HG1 THR A 43 -1.731 13.441 1.126 1.00 61.21 H new ATOM 0 HG21 THR A 43 -2.343 12.463 -0.967 1.00 21.43 H new ATOM 0 HG22 THR A 43 -1.393 11.060 -1.512 1.00 21.43 H new ATOM 0 HG23 THR A 43 -2.513 10.896 -0.139 1.00 21.43 H new ATOM 608 N ALA A 44 -1.692 9.064 1.102 1.00 42.44 N ATOM 609 CA ALA A 44 -2.609 8.224 1.862 1.00 62.15 C ATOM 610 C ALA A 44 -1.849 7.201 2.699 1.00 34.32 C ATOM 611 O ALA A 44 -2.278 6.840 3.796 1.00 45.43 O ATOM 612 CB ALA A 44 -3.582 7.524 0.925 1.00 54.11 C ATOM 0 H ALA A 44 -1.770 8.965 0.090 1.00 42.44 H new ATOM 0 HA ALA A 44 -3.172 8.864 2.541 1.00 62.15 H new ATOM 0 HB1 ALA A 44 -4.261 6.900 1.506 1.00 54.11 H new ATOM 0 HB2 ALA A 44 -4.156 8.269 0.374 1.00 54.11 H new ATOM 0 HB3 ALA A 44 -3.027 6.901 0.223 1.00 54.11 H new ATOM 618 N VAL A 45 -0.720 6.735 2.175 1.00 21.13 N ATOM 619 CA VAL A 45 0.100 5.753 2.875 1.00 34.12 C ATOM 620 C VAL A 45 0.790 6.375 4.084 1.00 34.42 C ATOM 621 O VAL A 45 0.746 5.829 5.187 1.00 33.00 O ATOM 622 CB VAL A 45 1.166 5.147 1.944 1.00 25.55 C ATOM 623 CG1 VAL A 45 2.032 4.151 2.701 1.00 30.34 C ATOM 624 CG2 VAL A 45 0.510 4.488 0.740 1.00 23.14 C ATOM 0 H VAL A 45 -0.352 7.022 1.268 1.00 21.13 H new ATOM 0 HA VAL A 45 -0.570 4.962 3.211 1.00 34.12 H new ATOM 0 HB VAL A 45 1.808 5.951 1.584 1.00 25.55 H new ATOM 0 HG11 VAL A 45 2.780 3.733 2.027 1.00 30.34 H new ATOM 0 HG12 VAL A 45 2.531 4.657 3.527 1.00 30.34 H new ATOM 0 HG13 VAL A 45 1.407 3.348 3.092 1.00 30.34 H new ATOM 0 HG21 VAL A 45 1.279 4.065 0.093 1.00 23.14 H new ATOM 0 HG22 VAL A 45 -0.157 3.695 1.078 1.00 23.14 H new ATOM 0 HG23 VAL A 45 -0.063 5.231 0.185 1.00 23.14 H new ATOM 634 N LYS A 46 1.427 7.521 3.870 1.00 20.41 N ATOM 635 CA LYS A 46 2.126 8.220 4.942 1.00 70.31 C ATOM 636 C LYS A 46 1.181 8.523 6.101 1.00 63.35 C ATOM 637 O LYS A 46 1.514 8.289 7.262 1.00 11.21 O ATOM 638 CB LYS A 46 2.739 9.520 4.416 1.00 33.31 C ATOM 639 CG LYS A 46 3.298 10.414 5.509 1.00 53.30 C ATOM 640 CD LYS A 46 4.334 9.687 6.349 1.00 32.04 C ATOM 641 CE LYS A 46 5.389 10.643 6.883 1.00 5.10 C ATOM 642 NZ LYS A 46 6.673 9.946 7.173 1.00 43.33 N ATOM 0 H LYS A 46 1.474 7.986 2.963 1.00 20.41 H new ATOM 0 HA LYS A 46 2.923 7.571 5.306 1.00 70.31 H new ATOM 0 HB2 LYS A 46 3.536 9.278 3.713 1.00 33.31 H new ATOM 0 HB3 LYS A 46 1.980 10.071 3.860 1.00 33.31 H new ATOM 0 HG2 LYS A 46 3.748 11.300 5.061 1.00 53.30 H new ATOM 0 HG3 LYS A 46 2.486 10.758 6.149 1.00 53.30 H new ATOM 0 HD2 LYS A 46 3.841 9.185 7.182 1.00 32.04 H new ATOM 0 HD3 LYS A 46 4.813 8.913 5.749 1.00 32.04 H new ATOM 0 HE2 LYS A 46 5.562 11.436 6.155 1.00 5.10 H new ATOM 0 HE3 LYS A 46 5.021 11.119 7.792 1.00 5.10 H new ATOM 0 HZ1 LYS A 46 6.798 9.862 8.202 1.00 43.33 H new ATOM 0 HZ2 LYS A 46 6.657 8.997 6.748 1.00 43.33 H new ATOM 0 HZ3 LYS A 46 7.462 10.492 6.772 1.00 43.33 H new ATOM 656 N ALA A 47 0.002 9.043 5.776 1.00 30.41 N ATOM 657 CA ALA A 47 -0.992 9.374 6.790 1.00 63.23 C ATOM 658 C ALA A 47 -1.399 8.137 7.584 1.00 4.53 C ATOM 659 O ALA A 47 -1.627 8.211 8.791 1.00 14.32 O ATOM 660 CB ALA A 47 -2.212 10.013 6.144 1.00 43.44 C ATOM 0 H ALA A 47 -0.288 9.244 4.819 1.00 30.41 H new ATOM 0 HA ALA A 47 -0.545 10.088 7.482 1.00 63.23 H new ATOM 0 HB1 ALA A 47 -2.946 10.255 6.913 1.00 43.44 H new ATOM 0 HB2 ALA A 47 -1.914 10.925 5.627 1.00 43.44 H new ATOM 0 HB3 ALA A 47 -2.651 9.317 5.429 1.00 43.44 H new ATOM 666 N ALA A 48 -1.488 7.002 6.899 1.00 4.20 N ATOM 667 CA ALA A 48 -1.866 5.750 7.542 1.00 62.24 C ATOM 668 C ALA A 48 -0.877 5.376 8.641 1.00 42.05 C ATOM 669 O ALA A 48 -1.221 4.660 9.581 1.00 72.41 O ATOM 670 CB ALA A 48 -1.958 4.635 6.511 1.00 74.43 C ATOM 0 H ALA A 48 -1.303 6.924 5.899 1.00 4.20 H new ATOM 0 HA ALA A 48 -2.845 5.887 8.002 1.00 62.24 H new ATOM 0 HB1 ALA A 48 -2.241 3.705 7.005 1.00 74.43 H new ATOM 0 HB2 ALA A 48 -2.708 4.892 5.763 1.00 74.43 H new ATOM 0 HB3 ALA A 48 -0.991 4.508 6.025 1.00 74.43 H new ATOM 676 N ILE A 49 0.352 5.865 8.515 1.00 24.20 N ATOM 677 CA ILE A 49 1.391 5.582 9.498 1.00 35.23 C ATOM 678 C ILE A 49 0.952 6.002 10.897 1.00 20.11 C ATOM 679 O ILE A 49 0.945 5.194 11.825 1.00 20.12 O ATOM 680 CB ILE A 49 2.708 6.299 9.148 1.00 32.04 C ATOM 681 CG1 ILE A 49 3.194 5.872 7.762 1.00 72.21 C ATOM 682 CG2 ILE A 49 3.767 6.005 10.201 1.00 74.14 C ATOM 683 CD1 ILE A 49 4.479 6.548 7.337 1.00 33.43 C ATOM 0 H ILE A 49 0.653 6.459 7.742 1.00 24.20 H new ATOM 0 HA ILE A 49 1.558 4.505 9.480 1.00 35.23 H new ATOM 0 HB ILE A 49 2.527 7.374 9.133 1.00 32.04 H new ATOM 0 HG12 ILE A 49 3.341 4.792 7.754 1.00 72.21 H new ATOM 0 HG13 ILE A 49 2.417 6.093 7.030 1.00 72.21 H new ATOM 0 HG21 ILE A 49 4.692 6.519 9.940 1.00 74.14 H new ATOM 0 HG22 ILE A 49 3.420 6.354 11.173 1.00 74.14 H new ATOM 0 HG23 ILE A 49 3.948 4.931 10.245 1.00 74.14 H new ATOM 0 HD11 ILE A 49 4.764 6.197 6.345 1.00 33.43 H new ATOM 0 HD12 ILE A 49 4.331 7.628 7.312 1.00 33.43 H new ATOM 0 HD13 ILE A 49 5.269 6.307 8.048 1.00 33.43 H new ATOM 695 N ALA A 50 0.585 7.271 11.040 1.00 51.11 N ATOM 696 CA ALA A 50 0.141 7.798 12.324 1.00 11.04 C ATOM 697 C ALA A 50 -1.115 7.081 12.808 1.00 70.35 C ATOM 698 O ALA A 50 -1.404 7.050 14.004 1.00 50.11 O ATOM 699 CB ALA A 50 -0.110 9.295 12.222 1.00 12.24 C ATOM 0 H ALA A 50 0.586 7.953 10.282 1.00 51.11 H new ATOM 0 HA ALA A 50 0.932 7.622 13.053 1.00 11.04 H new ATOM 0 HB1 ALA A 50 -0.441 9.675 13.188 1.00 12.24 H new ATOM 0 HB2 ALA A 50 0.811 9.799 11.930 1.00 12.24 H new ATOM 0 HB3 ALA A 50 -0.880 9.485 11.474 1.00 12.24 H new ATOM 705 N LYS A 51 -1.859 6.505 11.870 1.00 74.33 N ATOM 706 CA LYS A 51 -3.085 5.787 12.199 1.00 60.42 C ATOM 707 C LYS A 51 -2.771 4.411 12.777 1.00 24.34 C ATOM 708 O LYS A 51 -3.218 4.072 13.873 1.00 64.12 O ATOM 709 CB LYS A 51 -3.964 5.640 10.955 1.00 72.31 C ATOM 710 CG LYS A 51 -4.988 6.751 10.799 1.00 44.12 C ATOM 711 CD LYS A 51 -4.323 8.116 10.736 1.00 52.21 C ATOM 712 CE LYS A 51 -5.086 9.066 9.825 1.00 60.11 C ATOM 713 NZ LYS A 51 -6.507 9.214 10.244 1.00 53.43 N ATOM 0 H LYS A 51 -1.634 6.521 10.875 1.00 74.33 H new ATOM 0 HA LYS A 51 -3.623 6.364 12.951 1.00 60.42 H new ATOM 0 HB2 LYS A 51 -3.327 5.618 10.071 1.00 72.31 H new ATOM 0 HB3 LYS A 51 -4.483 4.682 10.998 1.00 72.31 H new ATOM 0 HG2 LYS A 51 -5.570 6.586 9.892 1.00 44.12 H new ATOM 0 HG3 LYS A 51 -5.687 6.724 11.635 1.00 44.12 H new ATOM 0 HD2 LYS A 51 -4.264 8.540 11.738 1.00 52.21 H new ATOM 0 HD3 LYS A 51 -3.300 8.007 10.375 1.00 52.21 H new ATOM 0 HE2 LYS A 51 -4.602 10.043 9.831 1.00 60.11 H new ATOM 0 HE3 LYS A 51 -5.046 8.697 8.800 1.00 60.11 H new ATOM 0 HZ1 LYS A 51 -6.943 10.001 9.722 1.00 53.43 H new ATOM 0 HZ2 LYS A 51 -7.023 8.335 10.038 1.00 53.43 H new ATOM 0 HZ3 LYS A 51 -6.549 9.410 11.265 1.00 53.43 H new ATOM 727 N GLN A 52 -1.999 3.624 12.035 1.00 65.21 N ATOM 728 CA GLN A 52 -1.624 2.285 12.476 1.00 55.31 C ATOM 729 C GLN A 52 -0.136 2.215 12.802 1.00 52.44 C ATOM 730 O GLN A 52 0.250 2.099 13.964 1.00 64.33 O ATOM 731 CB GLN A 52 -1.972 1.255 11.400 1.00 51.22 C ATOM 732 CG GLN A 52 -3.426 0.811 11.429 1.00 3.25 C ATOM 733 CD GLN A 52 -4.317 1.673 10.557 1.00 61.11 C ATOM 734 OE1 GLN A 52 -3.839 2.386 9.675 1.00 42.44 O ATOM 735 NE2 GLN A 52 -5.621 1.611 10.799 1.00 51.11 N ATOM 0 H GLN A 52 -1.621 3.890 11.126 1.00 65.21 H new ATOM 0 HA GLN A 52 -2.186 2.058 13.382 1.00 55.31 H new ATOM 0 HB2 GLN A 52 -1.749 1.677 10.420 1.00 51.22 H new ATOM 0 HB3 GLN A 52 -1.332 0.382 11.524 1.00 51.22 H new ATOM 0 HG2 GLN A 52 -3.492 -0.225 11.097 1.00 3.25 H new ATOM 0 HG3 GLN A 52 -3.791 0.841 12.456 1.00 3.25 H new ATOM 0 HE21 GLN A 52 -5.974 1.006 11.540 1.00 51.11 H new ATOM 0 HE22 GLN A 52 -6.270 2.168 10.243 1.00 51.11 H new ATOM 744 N GLY A 53 0.695 2.287 11.766 1.00 3.45 N ATOM 745 CA GLY A 53 2.132 2.230 11.964 1.00 51.14 C ATOM 746 C GLY A 53 2.892 2.113 10.657 1.00 22.25 C ATOM 747 O GLY A 53 2.350 1.645 9.656 1.00 73.20 O ATOM 0 H GLY A 53 0.399 2.384 10.795 1.00 3.45 H new ATOM 0 HA2 GLY A 53 2.459 3.126 12.492 1.00 51.14 H new ATOM 0 HA3 GLY A 53 2.375 1.379 12.600 1.00 51.14 H new ATOM 751 N ILE A 54 4.150 2.540 10.667 1.00 43.03 N ATOM 752 CA ILE A 54 4.985 2.481 9.473 1.00 23.14 C ATOM 753 C ILE A 54 4.974 1.083 8.863 1.00 2.43 C ATOM 754 O ILE A 54 5.070 0.924 7.646 1.00 15.12 O ATOM 755 CB ILE A 54 6.440 2.882 9.783 1.00 34.05 C ATOM 756 CG1 ILE A 54 6.989 2.041 10.937 1.00 34.35 C ATOM 757 CG2 ILE A 54 6.521 4.364 10.116 1.00 13.41 C ATOM 758 CD1 ILE A 54 8.425 2.360 11.288 1.00 62.44 C ATOM 0 H ILE A 54 4.613 2.930 11.488 1.00 43.03 H new ATOM 0 HA ILE A 54 4.565 3.190 8.759 1.00 23.14 H new ATOM 0 HB ILE A 54 7.049 2.694 8.899 1.00 34.05 H new ATOM 0 HG12 ILE A 54 6.365 2.196 11.817 1.00 34.35 H new ATOM 0 HG13 ILE A 54 6.914 0.986 10.675 1.00 34.35 H new ATOM 0 HG21 ILE A 54 7.555 4.632 10.333 1.00 13.41 H new ATOM 0 HG22 ILE A 54 6.165 4.948 9.267 1.00 13.41 H new ATOM 0 HG23 ILE A 54 5.901 4.576 10.987 1.00 13.41 H new ATOM 0 HD11 ILE A 54 8.747 1.726 12.114 1.00 62.44 H new ATOM 0 HD12 ILE A 54 9.060 2.178 10.421 1.00 62.44 H new ATOM 0 HD13 ILE A 54 8.504 3.407 11.582 1.00 62.44 H new ATOM 770 N LYS A 55 4.856 0.072 9.717 1.00 14.20 N ATOM 771 CA LYS A 55 4.828 -1.313 9.264 1.00 64.44 C ATOM 772 C LYS A 55 3.748 -1.519 8.207 1.00 40.13 C ATOM 773 O LYS A 55 3.984 -2.152 7.178 1.00 71.34 O ATOM 774 CB LYS A 55 4.585 -2.254 10.446 1.00 5.12 C ATOM 775 CG LYS A 55 3.370 -1.883 11.278 1.00 21.24 C ATOM 776 CD LYS A 55 3.266 -2.743 12.527 1.00 3.42 C ATOM 777 CE LYS A 55 2.244 -2.183 13.505 1.00 23.42 C ATOM 778 NZ LYS A 55 2.816 -1.092 14.342 1.00 62.23 N ATOM 0 H LYS A 55 4.778 0.186 10.728 1.00 14.20 H new ATOM 0 HA LYS A 55 5.796 -1.542 8.818 1.00 64.44 H new ATOM 0 HB2 LYS A 55 4.462 -3.270 10.071 1.00 5.12 H new ATOM 0 HB3 LYS A 55 5.467 -2.255 11.086 1.00 5.12 H new ATOM 0 HG2 LYS A 55 3.430 -0.832 11.562 1.00 21.24 H new ATOM 0 HG3 LYS A 55 2.467 -2.000 10.678 1.00 21.24 H new ATOM 0 HD2 LYS A 55 2.986 -3.759 12.248 1.00 3.42 H new ATOM 0 HD3 LYS A 55 4.241 -2.802 13.012 1.00 3.42 H new ATOM 0 HE2 LYS A 55 1.383 -1.804 12.954 1.00 23.42 H new ATOM 0 HE3 LYS A 55 1.882 -2.984 14.150 1.00 23.42 H new ATOM 0 HZ1 LYS A 55 2.088 -0.737 14.995 1.00 62.23 H new ATOM 0 HZ2 LYS A 55 3.622 -1.459 14.888 1.00 62.23 H new ATOM 0 HZ3 LYS A 55 3.138 -0.316 13.729 1.00 62.23 H new ATOM 792 N LYS A 56 2.562 -0.979 8.466 1.00 3.54 N ATOM 793 CA LYS A 56 1.446 -1.100 7.537 1.00 55.32 C ATOM 794 C LYS A 56 1.733 -0.349 6.241 1.00 55.53 C ATOM 795 O LYS A 56 1.281 -0.748 5.168 1.00 64.22 O ATOM 796 CB LYS A 56 0.163 -0.564 8.176 1.00 14.41 C ATOM 797 CG LYS A 56 -1.080 -1.353 7.801 1.00 24.23 C ATOM 798 CD LYS A 56 -2.260 -0.989 8.686 1.00 0.21 C ATOM 799 CE LYS A 56 -3.556 -0.932 7.891 1.00 23.35 C ATOM 800 NZ LYS A 56 -3.697 0.352 7.151 1.00 3.01 N ATOM 0 H LYS A 56 2.349 -0.452 9.313 1.00 3.54 H new ATOM 0 HA LYS A 56 1.314 -2.156 7.303 1.00 55.32 H new ATOM 0 HB2 LYS A 56 0.276 -0.574 9.260 1.00 14.41 H new ATOM 0 HB3 LYS A 56 0.026 0.476 7.879 1.00 14.41 H new ATOM 0 HG2 LYS A 56 -1.333 -1.161 6.758 1.00 24.23 H new ATOM 0 HG3 LYS A 56 -0.875 -2.420 7.888 1.00 24.23 H new ATOM 0 HD2 LYS A 56 -2.355 -1.722 9.487 1.00 0.21 H new ATOM 0 HD3 LYS A 56 -2.078 -0.023 9.158 1.00 0.21 H new ATOM 0 HE2 LYS A 56 -3.586 -1.763 7.186 1.00 23.35 H new ATOM 0 HE3 LYS A 56 -4.402 -1.056 8.567 1.00 23.35 H new ATOM 0 HZ1 LYS A 56 -4.567 0.331 6.582 1.00 3.01 H new ATOM 0 HZ2 LYS A 56 -3.745 1.140 7.828 1.00 3.01 H new ATOM 0 HZ3 LYS A 56 -2.877 0.484 6.525 1.00 3.01 H new ATOM 814 N ALA A 57 2.487 0.741 6.348 1.00 73.52 N ATOM 815 CA ALA A 57 2.837 1.545 5.184 1.00 74.13 C ATOM 816 C ALA A 57 3.513 0.696 4.113 1.00 24.10 C ATOM 817 O ALA A 57 3.255 0.863 2.921 1.00 65.34 O ATOM 818 CB ALA A 57 3.739 2.700 5.592 1.00 15.22 C ATOM 0 H ALA A 57 2.867 1.087 7.229 1.00 73.52 H new ATOM 0 HA ALA A 57 1.916 1.949 4.763 1.00 74.13 H new ATOM 0 HB1 ALA A 57 3.992 3.292 4.713 1.00 15.22 H new ATOM 0 HB2 ALA A 57 3.220 3.329 6.316 1.00 15.22 H new ATOM 0 HB3 ALA A 57 4.652 2.308 6.041 1.00 15.22 H new ATOM 824 N ILE A 58 4.380 -0.213 4.546 1.00 21.50 N ATOM 825 CA ILE A 58 5.093 -1.088 3.624 1.00 63.32 C ATOM 826 C ILE A 58 4.122 -1.914 2.787 1.00 31.44 C ATOM 827 O ILE A 58 4.128 -1.841 1.559 1.00 43.30 O ATOM 828 CB ILE A 58 6.046 -2.039 4.373 1.00 75.44 C ATOM 829 CG1 ILE A 58 7.057 -1.239 5.195 1.00 24.34 C ATOM 830 CG2 ILE A 58 6.760 -2.956 3.390 1.00 13.51 C ATOM 831 CD1 ILE A 58 7.980 -2.104 6.026 1.00 74.22 C ATOM 0 H ILE A 58 4.606 -0.363 5.529 1.00 21.50 H new ATOM 0 HA ILE A 58 5.678 -0.444 2.967 1.00 63.32 H new ATOM 0 HB ILE A 58 5.460 -2.656 5.054 1.00 75.44 H new ATOM 0 HG12 ILE A 58 7.656 -0.625 4.522 1.00 24.34 H new ATOM 0 HG13 ILE A 58 6.519 -0.558 5.854 1.00 24.34 H new ATOM 0 HG21 ILE A 58 7.430 -3.622 3.934 1.00 13.51 H new ATOM 0 HG22 ILE A 58 6.025 -3.547 2.844 1.00 13.51 H new ATOM 0 HG23 ILE A 58 7.338 -2.356 2.687 1.00 13.51 H new ATOM 0 HD11 ILE A 58 8.670 -1.470 6.583 1.00 74.22 H new ATOM 0 HD12 ILE A 58 7.391 -2.699 6.724 1.00 74.22 H new ATOM 0 HD13 ILE A 58 8.545 -2.767 5.371 1.00 74.22 H new ATOM 843 N GLN A 59 3.287 -2.699 3.462 1.00 5.40 N ATOM 844 CA GLN A 59 2.309 -3.538 2.780 1.00 0.34 C ATOM 845 C GLN A 59 1.353 -2.691 1.946 1.00 31.34 C ATOM 846 O GLN A 59 0.823 -3.150 0.933 1.00 24.03 O ATOM 847 CB GLN A 59 1.521 -4.367 3.796 1.00 3.01 C ATOM 848 CG GLN A 59 2.350 -5.446 4.474 1.00 70.32 C ATOM 849 CD GLN A 59 1.746 -5.908 5.785 1.00 22.33 C ATOM 850 OE1 GLN A 59 0.724 -5.385 6.230 1.00 3.11 O ATOM 851 NE2 GLN A 59 2.376 -6.895 6.413 1.00 44.44 N ATOM 0 H GLN A 59 3.269 -2.771 4.479 1.00 5.40 H new ATOM 0 HA GLN A 59 2.847 -4.210 2.112 1.00 0.34 H new ATOM 0 HB2 GLN A 59 1.113 -3.702 4.557 1.00 3.01 H new ATOM 0 HB3 GLN A 59 0.674 -4.833 3.293 1.00 3.01 H new ATOM 0 HG2 GLN A 59 2.448 -6.299 3.803 1.00 70.32 H new ATOM 0 HG3 GLN A 59 3.355 -5.066 4.655 1.00 70.32 H new ATOM 0 HE21 GLN A 59 3.220 -7.300 6.009 1.00 44.44 H new ATOM 0 HE22 GLN A 59 2.015 -7.248 7.300 1.00 44.44 H new ATOM 860 N LEU A 60 1.136 -1.454 2.379 1.00 74.14 N ATOM 861 CA LEU A 60 0.242 -0.543 1.672 1.00 44.42 C ATOM 862 C LEU A 60 0.800 -0.191 0.297 1.00 44.44 C ATOM 863 O LEU A 60 0.073 -0.181 -0.696 1.00 14.30 O ATOM 864 CB LEU A 60 0.031 0.732 2.490 1.00 15.24 C ATOM 865 CG LEU A 60 -1.384 0.960 3.024 1.00 53.04 C ATOM 866 CD1 LEU A 60 -1.471 2.290 3.755 1.00 12.44 C ATOM 867 CD2 LEU A 60 -2.397 0.906 1.889 1.00 0.20 C ATOM 0 H LEU A 60 1.566 -1.059 3.215 1.00 74.14 H new ATOM 0 HA LEU A 60 -0.716 -1.045 1.538 1.00 44.42 H new ATOM 0 HB2 LEU A 60 0.719 0.715 3.336 1.00 15.24 H new ATOM 0 HB3 LEU A 60 0.307 1.586 1.872 1.00 15.24 H new ATOM 0 HG LEU A 60 -1.617 0.164 3.731 1.00 53.04 H new ATOM 0 HD11 LEU A 60 -2.485 2.435 4.128 1.00 12.44 H new ATOM 0 HD12 LEU A 60 -0.773 2.291 4.592 1.00 12.44 H new ATOM 0 HD13 LEU A 60 -1.217 3.099 3.070 1.00 12.44 H new ATOM 0 HD21 LEU A 60 -3.398 1.070 2.287 1.00 0.20 H new ATOM 0 HD22 LEU A 60 -2.166 1.680 1.158 1.00 0.20 H new ATOM 0 HD23 LEU A 60 -2.353 -0.071 1.409 1.00 0.20 H new TER 879 LEU A 60