USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 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 Single : A 1 LEU N :NH3+ -99:sc= -0.329 (180deg=-1.33) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.11) 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= -0.504 K(o=-0.5,f=-4.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -140:sc= -0.0044 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -140:sc= -2.24! USER MOD Single : A 39 SER OG : rot -101:sc= 0.0503 USER MOD Single : A 43 THR OG1 : rot -105:sc= 1.33 USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.254) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0077 X(o=-0.0077,f=-0.0077) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.529 0.467 -0.002 1.00 5.23 N ATOM 2 CA LEU A 1 2.322 0.573 -1.222 1.00 75.52 C ATOM 3 C LEU A 1 2.302 -0.740 -1.999 1.00 54.13 C ATOM 4 O LEU A 1 1.970 -0.767 -3.184 1.00 52.15 O ATOM 5 CB LEU A 1 3.763 0.958 -0.886 1.00 63.34 C ATOM 6 CG LEU A 1 3.937 2.085 0.132 1.00 20.23 C ATOM 7 CD1 LEU A 1 5.350 2.083 0.694 1.00 2.31 C ATOM 8 CD2 LEU A 1 3.614 3.430 -0.501 1.00 3.41 C ATOM 0 H1 LEU A 1 0.590 0.885 -0.161 1.00 5.23 H new ATOM 0 HA LEU A 1 1.882 1.351 -1.846 1.00 75.52 H new ATOM 0 HB2 LEU A 1 4.276 0.073 -0.509 1.00 63.34 H new ATOM 0 HB3 LEU A 1 4.265 1.249 -1.809 1.00 63.34 H new ATOM 0 HG LEU A 1 3.241 1.917 0.954 1.00 20.23 H new ATOM 0 HD11 LEU A 1 5.455 2.892 1.417 1.00 2.31 H new ATOM 0 HD12 LEU A 1 5.545 1.130 1.185 1.00 2.31 H new ATOM 0 HD13 LEU A 1 6.064 2.226 -0.117 1.00 2.31 H new ATOM 0 HD21 LEU A 1 3.743 4.220 0.238 1.00 3.41 H new ATOM 0 HD22 LEU A 1 4.284 3.607 -1.342 1.00 3.41 H new ATOM 0 HD23 LEU A 1 2.583 3.428 -0.853 1.00 3.41 H new ATOM 20 N VAL A 2 2.657 -1.828 -1.323 1.00 0.41 N ATOM 21 CA VAL A 2 2.677 -3.144 -1.948 1.00 72.45 C ATOM 22 C VAL A 2 1.280 -3.561 -2.397 1.00 5.04 C ATOM 23 O VAL A 2 1.085 -3.993 -3.532 1.00 40.12 O ATOM 24 CB VAL A 2 3.237 -4.213 -0.990 1.00 54.44 C ATOM 25 CG1 VAL A 2 3.303 -5.567 -1.680 1.00 50.32 C ATOM 26 CG2 VAL A 2 4.607 -3.800 -0.475 1.00 40.20 C ATOM 0 H VAL A 2 2.935 -1.823 -0.342 1.00 0.41 H new ATOM 0 HA VAL A 2 3.329 -3.070 -2.819 1.00 72.45 H new ATOM 0 HB VAL A 2 2.564 -4.300 -0.137 1.00 54.44 H new ATOM 0 HG11 VAL A 2 3.701 -6.309 -0.988 1.00 50.32 H new ATOM 0 HG12 VAL A 2 2.303 -5.864 -1.995 1.00 50.32 H new ATOM 0 HG13 VAL A 2 3.953 -5.499 -2.553 1.00 50.32 H new ATOM 0 HG21 VAL A 2 4.988 -4.566 0.200 1.00 40.20 H new ATOM 0 HG22 VAL A 2 5.292 -3.684 -1.315 1.00 40.20 H new ATOM 0 HG23 VAL A 2 4.525 -2.854 0.060 1.00 40.20 H new ATOM 36 N ALA A 3 0.312 -3.428 -1.496 1.00 52.35 N ATOM 37 CA ALA A 3 -1.068 -3.788 -1.800 1.00 4.22 C ATOM 38 C ALA A 3 -1.637 -2.901 -2.902 1.00 63.33 C ATOM 39 O ALA A 3 -2.500 -3.326 -3.671 1.00 22.44 O ATOM 40 CB ALA A 3 -1.926 -3.692 -0.547 1.00 42.10 C ATOM 0 H ALA A 3 0.458 -3.074 -0.551 1.00 52.35 H new ATOM 0 HA ALA A 3 -1.079 -4.818 -2.157 1.00 4.22 H new ATOM 0 HB1 ALA A 3 -2.954 -3.963 -0.788 1.00 42.10 H new ATOM 0 HB2 ALA A 3 -1.539 -4.373 0.212 1.00 42.10 H new ATOM 0 HB3 ALA A 3 -1.900 -2.671 -0.166 1.00 42.10 H new ATOM 46 N TYR A 4 -1.149 -1.668 -2.974 1.00 1.11 N ATOM 47 CA TYR A 4 -1.612 -0.720 -3.981 1.00 24.32 C ATOM 48 C TYR A 4 -1.054 -1.071 -5.357 1.00 25.44 C ATOM 49 O TYR A 4 -1.791 -1.140 -6.339 1.00 63.51 O ATOM 50 CB TYR A 4 -1.200 0.703 -3.599 1.00 72.23 C ATOM 51 CG TYR A 4 -2.330 1.704 -3.687 1.00 71.31 C ATOM 52 CD1 TYR A 4 -3.007 1.914 -4.882 1.00 1.30 C ATOM 53 CD2 TYR A 4 -2.721 2.438 -2.574 1.00 53.34 C ATOM 54 CE1 TYR A 4 -4.039 2.828 -4.967 1.00 11.43 C ATOM 55 CE2 TYR A 4 -3.753 3.354 -2.649 1.00 74.55 C ATOM 56 CZ TYR A 4 -4.409 3.545 -3.848 1.00 2.32 C ATOM 57 OH TYR A 4 -5.438 4.456 -3.928 1.00 24.22 O ATOM 0 H TYR A 4 -0.433 -1.301 -2.347 1.00 1.11 H new ATOM 0 HA TYR A 4 -2.700 -0.777 -4.025 1.00 24.32 H new ATOM 0 HB2 TYR A 4 -0.808 0.698 -2.582 1.00 72.23 H new ATOM 0 HB3 TYR A 4 -0.389 1.025 -4.252 1.00 72.23 H new ATOM 0 HD1 TYR A 4 -2.721 1.353 -5.759 1.00 1.30 H new ATOM 0 HD2 TYR A 4 -2.210 2.290 -1.634 1.00 53.34 H new ATOM 0 HE1 TYR A 4 -4.553 2.981 -5.904 1.00 11.43 H new ATOM 0 HE2 TYR A 4 -4.044 3.917 -1.775 1.00 74.55 H new ATOM 0 HH TYR A 4 -5.573 4.875 -3.052 1.00 24.22 H new ATOM 67 N GLY A 5 0.256 -1.293 -5.418 1.00 61.30 N ATOM 68 CA GLY A 5 0.892 -1.635 -6.677 1.00 23.33 C ATOM 69 C GLY A 5 2.392 -1.419 -6.646 1.00 2.52 C ATOM 70 O GLY A 5 3.133 -2.056 -7.395 1.00 5.41 O ATOM 0 H GLY A 5 0.887 -1.242 -4.619 1.00 61.30 H new ATOM 0 HA2 GLY A 5 0.683 -2.678 -6.915 1.00 23.33 H new ATOM 0 HA3 GLY A 5 0.458 -1.033 -7.475 1.00 23.33 H new ATOM 74 N ILE A 6 2.840 -0.517 -5.779 1.00 44.42 N ATOM 75 CA ILE A 6 4.262 -0.217 -5.655 1.00 35.51 C ATOM 76 C ILE A 6 5.062 -1.475 -5.333 1.00 12.12 C ATOM 77 O ILE A 6 4.656 -2.285 -4.500 1.00 0.21 O ATOM 78 CB ILE A 6 4.522 0.837 -4.563 1.00 34.34 C ATOM 79 CG1 ILE A 6 3.777 2.134 -4.887 1.00 65.44 C ATOM 80 CG2 ILE A 6 6.014 1.097 -4.422 1.00 70.22 C ATOM 81 CD1 ILE A 6 3.479 2.980 -3.670 1.00 10.11 C ATOM 0 H ILE A 6 2.239 0.019 -5.152 1.00 44.42 H new ATOM 0 HA ILE A 6 4.586 0.181 -6.616 1.00 35.51 H new ATOM 0 HB ILE A 6 4.149 0.454 -3.613 1.00 34.34 H new ATOM 0 HG12 ILE A 6 4.371 2.719 -5.589 1.00 65.44 H new ATOM 0 HG13 ILE A 6 2.840 1.890 -5.388 1.00 65.44 H new ATOM 0 HG21 ILE A 6 6.181 1.844 -3.646 1.00 70.22 H new ATOM 0 HG22 ILE A 6 6.520 0.171 -4.149 1.00 70.22 H new ATOM 0 HG23 ILE A 6 6.411 1.462 -5.369 1.00 70.22 H new ATOM 0 HD11 ILE A 6 2.950 3.883 -3.975 1.00 10.11 H new ATOM 0 HD12 ILE A 6 2.859 2.413 -2.976 1.00 10.11 H new ATOM 0 HD13 ILE A 6 4.413 3.255 -3.180 1.00 10.11 H new ATOM 93 N ALA A 7 6.202 -1.630 -5.998 1.00 20.54 N ATOM 94 CA ALA A 7 7.062 -2.787 -5.780 1.00 32.15 C ATOM 95 C ALA A 7 7.359 -2.978 -4.296 1.00 61.21 C ATOM 96 O ALA A 7 7.680 -2.022 -3.591 1.00 25.43 O ATOM 97 CB ALA A 7 8.357 -2.638 -6.564 1.00 53.33 C ATOM 0 H ALA A 7 6.552 -0.969 -6.692 1.00 20.54 H new ATOM 0 HA ALA A 7 6.535 -3.672 -6.136 1.00 32.15 H new ATOM 0 HB1 ALA A 7 8.989 -3.509 -6.392 1.00 53.33 H new ATOM 0 HB2 ALA A 7 8.131 -2.558 -7.627 1.00 53.33 H new ATOM 0 HB3 ALA A 7 8.880 -1.740 -6.236 1.00 53.33 H new ATOM 103 N GLN A 8 7.249 -4.218 -3.830 1.00 72.12 N ATOM 104 CA GLN A 8 7.505 -4.533 -2.430 1.00 12.13 C ATOM 105 C GLN A 8 8.981 -4.352 -2.092 1.00 61.42 C ATOM 106 O GLN A 8 9.332 -3.619 -1.169 1.00 30.45 O ATOM 107 CB GLN A 8 7.070 -5.966 -2.120 1.00 21.35 C ATOM 108 CG GLN A 8 7.337 -6.386 -0.683 1.00 11.41 C ATOM 109 CD GLN A 8 7.152 -7.875 -0.466 1.00 1.54 C ATOM 110 OE1 GLN A 8 6.224 -8.481 -1.002 1.00 23.45 O ATOM 111 NE2 GLN A 8 8.037 -8.472 0.324 1.00 72.22 N ATOM 0 H GLN A 8 6.984 -5.020 -4.401 1.00 72.12 H new ATOM 0 HA GLN A 8 6.924 -3.844 -1.817 1.00 12.13 H new ATOM 0 HB2 GLN A 8 6.005 -6.066 -2.327 1.00 21.35 H new ATOM 0 HB3 GLN A 8 7.591 -6.648 -2.792 1.00 21.35 H new ATOM 0 HG2 GLN A 8 8.355 -6.107 -0.410 1.00 11.41 H new ATOM 0 HG3 GLN A 8 6.667 -5.840 -0.019 1.00 11.41 H new ATOM 0 HE21 GLN A 8 8.790 -7.930 0.747 1.00 72.22 H new ATOM 0 HE22 GLN A 8 7.963 -9.473 0.508 1.00 72.22 H new ATOM 120 N GLY A 9 9.843 -5.027 -2.848 1.00 12.14 N ATOM 121 CA GLY A 9 11.271 -4.928 -2.612 1.00 44.23 C ATOM 122 C GLY A 9 11.753 -3.491 -2.567 1.00 21.34 C ATOM 123 O GLY A 9 12.563 -3.126 -1.713 1.00 74.14 O ATOM 0 H GLY A 9 9.577 -5.640 -3.619 1.00 12.14 H new ATOM 0 HA2 GLY A 9 11.515 -5.420 -1.670 1.00 44.23 H new ATOM 0 HA3 GLY A 9 11.804 -5.462 -3.398 1.00 44.23 H new ATOM 127 N THR A 10 11.256 -2.672 -3.489 1.00 22.35 N ATOM 128 CA THR A 10 11.643 -1.269 -3.552 1.00 52.41 C ATOM 129 C THR A 10 10.963 -0.461 -2.452 1.00 42.24 C ATOM 130 O THR A 10 11.578 0.412 -1.840 1.00 50.14 O ATOM 131 CB THR A 10 11.292 -0.651 -4.919 1.00 11.43 C ATOM 132 OG1 THR A 10 11.981 -1.347 -5.963 1.00 4.22 O ATOM 133 CG2 THR A 10 11.661 0.825 -4.956 1.00 70.33 C ATOM 0 H THR A 10 10.585 -2.957 -4.202 1.00 22.35 H new ATOM 0 HA THR A 10 12.723 -1.232 -3.411 1.00 52.41 H new ATOM 0 HB THR A 10 10.217 -0.744 -5.070 1.00 11.43 H new ATOM 0 HG1 THR A 10 11.751 -0.949 -6.829 1.00 4.22 H new ATOM 0 HG21 THR A 10 11.404 1.240 -5.931 1.00 70.33 H new ATOM 0 HG22 THR A 10 11.112 1.357 -4.179 1.00 70.33 H new ATOM 0 HG23 THR A 10 12.732 0.937 -4.785 1.00 70.33 H new ATOM 141 N ALA A 11 9.692 -0.758 -2.206 1.00 34.11 N ATOM 142 CA ALA A 11 8.930 -0.061 -1.177 1.00 55.14 C ATOM 143 C ALA A 11 9.676 -0.059 0.152 1.00 10.03 C ATOM 144 O ALA A 11 9.546 0.873 0.945 1.00 24.02 O ATOM 145 CB ALA A 11 7.558 -0.698 -1.014 1.00 33.31 C ATOM 0 H ALA A 11 9.168 -1.477 -2.705 1.00 34.11 H new ATOM 0 HA ALA A 11 8.802 0.974 -1.493 1.00 55.14 H new ATOM 0 HB1 ALA A 11 7.000 -0.168 -0.242 1.00 33.31 H new ATOM 0 HB2 ALA A 11 7.016 -0.641 -1.958 1.00 33.31 H new ATOM 0 HB3 ALA A 11 7.674 -1.742 -0.725 1.00 33.31 H new ATOM 151 N GLU A 12 10.456 -1.109 0.389 1.00 3.23 N ATOM 152 CA GLU A 12 11.222 -1.227 1.625 1.00 71.43 C ATOM 153 C GLU A 12 12.167 -0.041 1.795 1.00 60.51 C ATOM 154 O GLU A 12 12.113 0.672 2.797 1.00 72.10 O ATOM 155 CB GLU A 12 12.018 -2.534 1.634 1.00 44.22 C ATOM 156 CG GLU A 12 12.380 -3.017 3.028 1.00 12.55 C ATOM 157 CD GLU A 12 13.460 -4.080 3.016 1.00 64.21 C ATOM 158 OE1 GLU A 12 13.267 -5.116 2.346 1.00 54.23 O ATOM 159 OE2 GLU A 12 14.500 -3.876 3.677 1.00 65.25 O ATOM 0 H GLU A 12 10.574 -1.889 -0.257 1.00 3.23 H new ATOM 0 HA GLU A 12 10.520 -1.232 2.459 1.00 71.43 H new ATOM 0 HB2 GLU A 12 11.437 -3.307 1.130 1.00 44.22 H new ATOM 0 HB3 GLU A 12 12.933 -2.396 1.057 1.00 44.22 H new ATOM 0 HG2 GLU A 12 12.716 -2.170 3.626 1.00 12.55 H new ATOM 0 HG3 GLU A 12 11.489 -3.416 3.513 1.00 12.55 H new ATOM 166 N LYS A 13 13.034 0.163 0.809 1.00 71.11 N ATOM 167 CA LYS A 13 13.992 1.262 0.847 1.00 74.31 C ATOM 168 C LYS A 13 13.283 2.606 0.718 1.00 14.14 C ATOM 169 O LYS A 13 13.707 3.602 1.306 1.00 74.53 O ATOM 170 CB LYS A 13 15.021 1.107 -0.275 1.00 24.15 C ATOM 171 CG LYS A 13 14.404 1.018 -1.659 1.00 51.34 C ATOM 172 CD LYS A 13 15.465 1.053 -2.746 1.00 40.14 C ATOM 173 CE LYS A 13 16.021 2.456 -2.938 1.00 22.24 C ATOM 174 NZ LYS A 13 16.679 2.615 -4.264 1.00 4.41 N ATOM 0 H LYS A 13 13.093 -0.419 -0.027 1.00 71.11 H new ATOM 0 HA LYS A 13 14.504 1.232 1.809 1.00 74.31 H new ATOM 0 HB2 LYS A 13 15.707 1.953 -0.246 1.00 24.15 H new ATOM 0 HB3 LYS A 13 15.613 0.210 -0.092 1.00 24.15 H new ATOM 0 HG2 LYS A 13 13.827 0.097 -1.742 1.00 51.34 H new ATOM 0 HG3 LYS A 13 13.708 1.845 -1.802 1.00 51.34 H new ATOM 0 HD2 LYS A 13 16.275 0.372 -2.487 1.00 40.14 H new ATOM 0 HD3 LYS A 13 15.038 0.698 -3.684 1.00 40.14 H new ATOM 0 HE2 LYS A 13 15.214 3.183 -2.844 1.00 22.24 H new ATOM 0 HE3 LYS A 13 16.739 2.673 -2.148 1.00 22.24 H new ATOM 0 HZ1 LYS A 13 17.045 3.584 -4.356 1.00 4.41 H new ATOM 0 HZ2 LYS A 13 17.465 1.939 -4.345 1.00 4.41 H new ATOM 0 HZ3 LYS A 13 15.987 2.433 -5.019 1.00 4.41 H new ATOM 188 N VAL A 14 12.200 2.628 -0.052 1.00 71.25 N ATOM 189 CA VAL A 14 11.430 3.849 -0.256 1.00 4.43 C ATOM 190 C VAL A 14 10.944 4.420 1.072 1.00 60.22 C ATOM 191 O VAL A 14 10.867 5.636 1.246 1.00 31.04 O ATOM 192 CB VAL A 14 10.217 3.603 -1.171 1.00 72.44 C ATOM 193 CG1 VAL A 14 9.400 4.876 -1.331 1.00 44.02 C ATOM 194 CG2 VAL A 14 10.669 3.076 -2.525 1.00 5.30 C ATOM 0 H VAL A 14 11.836 1.813 -0.545 1.00 71.25 H new ATOM 0 HA VAL A 14 12.096 4.566 -0.735 1.00 4.43 H new ATOM 0 HB VAL A 14 9.582 2.849 -0.707 1.00 72.44 H new ATOM 0 HG11 VAL A 14 8.547 4.682 -1.981 1.00 44.02 H new ATOM 0 HG12 VAL A 14 9.044 5.205 -0.355 1.00 44.02 H new ATOM 0 HG13 VAL A 14 10.022 5.655 -1.772 1.00 44.02 H new ATOM 0 HG21 VAL A 14 9.798 2.908 -3.159 1.00 5.30 H new ATOM 0 HG22 VAL A 14 11.327 3.805 -2.998 1.00 5.30 H new ATOM 0 HG23 VAL A 14 11.206 2.137 -2.389 1.00 5.30 H new ATOM 204 N VAL A 15 10.617 3.533 2.006 1.00 32.13 N ATOM 205 CA VAL A 15 10.139 3.947 3.320 1.00 41.50 C ATOM 206 C VAL A 15 11.130 4.890 3.993 1.00 42.32 C ATOM 207 O VAL A 15 10.751 5.943 4.505 1.00 2.43 O ATOM 208 CB VAL A 15 9.897 2.734 4.238 1.00 41.52 C ATOM 209 CG1 VAL A 15 9.438 3.190 5.615 1.00 72.45 C ATOM 210 CG2 VAL A 15 8.882 1.789 3.614 1.00 61.24 C ATOM 0 H VAL A 15 10.674 2.523 1.877 1.00 32.13 H new ATOM 0 HA VAL A 15 9.195 4.468 3.163 1.00 41.50 H new ATOM 0 HB VAL A 15 10.837 2.195 4.355 1.00 41.52 H new ATOM 0 HG11 VAL A 15 9.272 2.320 6.250 1.00 72.45 H new ATOM 0 HG12 VAL A 15 10.203 3.825 6.062 1.00 72.45 H new ATOM 0 HG13 VAL A 15 8.509 3.753 5.521 1.00 72.45 H new ATOM 0 HG21 VAL A 15 8.723 0.938 4.276 1.00 61.24 H new ATOM 0 HG22 VAL A 15 7.939 2.315 3.466 1.00 61.24 H new ATOM 0 HG23 VAL A 15 9.256 1.437 2.653 1.00 61.24 H new ATOM 220 N SER A 16 12.402 4.505 3.987 1.00 4.10 N ATOM 221 CA SER A 16 13.449 5.315 4.600 1.00 70.30 C ATOM 222 C SER A 16 13.413 6.743 4.066 1.00 3.52 C ATOM 223 O SER A 16 13.726 7.695 4.784 1.00 70.25 O ATOM 224 CB SER A 16 14.823 4.694 4.337 1.00 14.34 C ATOM 225 OG SER A 16 15.863 5.582 4.710 1.00 74.24 O ATOM 0 H SER A 16 12.733 3.637 3.565 1.00 4.10 H new ATOM 0 HA SER A 16 13.271 5.343 5.675 1.00 70.30 H new ATOM 0 HB2 SER A 16 14.918 3.763 4.895 1.00 14.34 H new ATOM 0 HB3 SER A 16 14.916 4.443 3.280 1.00 14.34 H new ATOM 0 HG SER A 16 16.731 5.162 4.534 1.00 74.24 H new ATOM 231 N LEU A 17 13.030 6.887 2.802 1.00 22.43 N ATOM 232 CA LEU A 17 12.953 8.199 2.170 1.00 11.02 C ATOM 233 C LEU A 17 11.780 9.002 2.724 1.00 4.13 C ATOM 234 O LEU A 17 11.854 10.226 2.841 1.00 32.34 O ATOM 235 CB LEU A 17 12.812 8.049 0.654 1.00 2.34 C ATOM 236 CG LEU A 17 14.045 8.415 -0.173 1.00 73.15 C ATOM 237 CD1 LEU A 17 15.272 7.679 0.342 1.00 34.12 C ATOM 238 CD2 LEU A 17 13.812 8.102 -1.644 1.00 75.52 C ATOM 0 H LEU A 17 12.768 6.111 2.195 1.00 22.43 H new ATOM 0 HA LEU A 17 13.875 8.737 2.392 1.00 11.02 H new ATOM 0 HB2 LEU A 17 12.545 7.015 0.434 1.00 2.34 H new ATOM 0 HB3 LEU A 17 11.980 8.670 0.323 1.00 2.34 H new ATOM 0 HG LEU A 17 14.221 9.486 -0.073 1.00 73.15 H new ATOM 0 HD11 LEU A 17 16.139 7.952 -0.259 1.00 34.12 H new ATOM 0 HD12 LEU A 17 15.450 7.952 1.382 1.00 34.12 H new ATOM 0 HD13 LEU A 17 15.107 6.604 0.273 1.00 34.12 H new ATOM 0 HD21 LEU A 17 14.700 8.369 -2.218 1.00 75.52 H new ATOM 0 HD22 LEU A 17 13.610 7.037 -1.762 1.00 75.52 H new ATOM 0 HD23 LEU A 17 12.959 8.675 -2.007 1.00 75.52 H new ATOM 250 N ILE A 18 10.702 8.306 3.065 1.00 34.54 N ATOM 251 CA ILE A 18 9.515 8.954 3.610 1.00 22.34 C ATOM 252 C ILE A 18 9.808 9.585 4.967 1.00 20.13 C ATOM 253 O ILE A 18 9.489 10.749 5.203 1.00 2.42 O ATOM 254 CB ILE A 18 8.349 7.959 3.761 1.00 60.05 C ATOM 255 CG1 ILE A 18 8.142 7.182 2.459 1.00 62.22 C ATOM 256 CG2 ILE A 18 7.075 8.692 4.154 1.00 23.34 C ATOM 257 CD1 ILE A 18 6.999 6.193 2.520 1.00 12.44 C ATOM 0 H ILE A 18 10.625 7.293 2.974 1.00 34.54 H new ATOM 0 HA ILE A 18 9.228 9.733 2.903 1.00 22.34 H new ATOM 0 HB ILE A 18 8.596 7.250 4.551 1.00 60.05 H new ATOM 0 HG12 ILE A 18 7.958 7.888 1.649 1.00 62.22 H new ATOM 0 HG13 ILE A 18 9.060 6.649 2.214 1.00 62.22 H new ATOM 0 HG21 ILE A 18 6.260 7.976 4.257 1.00 23.34 H new ATOM 0 HG22 ILE A 18 7.229 9.206 5.103 1.00 23.34 H new ATOM 0 HG23 ILE A 18 6.822 9.421 3.384 1.00 23.34 H new ATOM 0 HD11 ILE A 18 6.911 5.679 1.563 1.00 12.44 H new ATOM 0 HD12 ILE A 18 7.190 5.464 3.307 1.00 12.44 H new ATOM 0 HD13 ILE A 18 6.071 6.723 2.734 1.00 12.44 H new ATOM 269 N ASN A 19 10.419 8.808 5.856 1.00 61.12 N ATOM 270 CA ASN A 19 10.757 9.291 7.190 1.00 52.33 C ATOM 271 C ASN A 19 11.651 10.525 7.111 1.00 61.10 C ATOM 272 O ASN A 19 11.690 11.336 8.036 1.00 53.04 O ATOM 273 CB ASN A 19 11.455 8.191 7.992 1.00 44.53 C ATOM 274 CG ASN A 19 10.480 7.356 8.798 1.00 22.13 C ATOM 275 OD1 ASN A 19 9.688 6.596 8.241 1.00 55.50 O ATOM 276 ND2 ASN A 19 10.534 7.493 10.118 1.00 44.00 N ATOM 0 H ASN A 19 10.690 7.841 5.677 1.00 61.12 H new ATOM 0 HA ASN A 19 9.831 9.567 7.695 1.00 52.33 H new ATOM 0 HB2 ASN A 19 12.007 7.543 7.311 1.00 44.53 H new ATOM 0 HB3 ASN A 19 12.185 8.643 8.664 1.00 44.53 H new ATOM 0 HD21 ASN A 19 9.903 6.956 10.713 1.00 44.00 H new ATOM 0 HD22 ASN A 19 11.207 8.135 10.537 1.00 44.00 H new ATOM 283 N ALA A 20 12.368 10.659 6.000 1.00 11.40 N ATOM 284 CA ALA A 20 13.260 11.795 5.799 1.00 34.20 C ATOM 285 C ALA A 20 12.476 13.101 5.721 1.00 24.14 C ATOM 286 O ALA A 20 13.030 14.181 5.921 1.00 44.12 O ATOM 287 CB ALA A 20 14.088 11.598 4.538 1.00 3.42 C ATOM 0 H ALA A 20 12.349 9.995 5.226 1.00 11.40 H new ATOM 0 HA ALA A 20 13.931 11.855 6.656 1.00 34.20 H new ATOM 0 HB1 ALA A 20 14.750 12.453 4.400 1.00 3.42 H new ATOM 0 HB2 ALA A 20 14.684 10.690 4.632 1.00 3.42 H new ATOM 0 HB3 ALA A 20 13.425 11.509 3.677 1.00 3.42 H new ATOM 293 N GLY A 21 11.184 12.994 5.429 1.00 15.14 N ATOM 294 CA GLY A 21 10.346 14.175 5.330 1.00 74.23 C ATOM 295 C GLY A 21 10.179 14.648 3.899 1.00 11.45 C ATOM 296 O GLY A 21 9.695 15.755 3.656 1.00 23.13 O ATOM 0 H GLY A 21 10.702 12.111 5.259 1.00 15.14 H new ATOM 0 HA2 GLY A 21 9.366 13.958 5.755 1.00 74.23 H new ATOM 0 HA3 GLY A 21 10.781 14.977 5.926 1.00 74.23 H new ATOM 300 N LEU A 22 10.581 13.811 2.950 1.00 22.11 N ATOM 301 CA LEU A 22 10.475 14.150 1.535 1.00 5.43 C ATOM 302 C LEU A 22 9.031 14.046 1.057 1.00 50.23 C ATOM 303 O LEU A 22 8.302 13.130 1.440 1.00 4.32 O ATOM 304 CB LEU A 22 11.369 13.230 0.702 1.00 74.04 C ATOM 305 CG LEU A 22 12.816 13.687 0.516 1.00 52.25 C ATOM 306 CD1 LEU A 22 12.878 14.904 -0.395 1.00 24.21 C ATOM 307 CD2 LEU A 22 13.456 13.993 1.862 1.00 72.11 C ATOM 0 H LEU A 22 10.984 12.892 3.134 1.00 22.11 H new ATOM 0 HA LEU A 22 10.806 15.181 1.407 1.00 5.43 H new ATOM 0 HB2 LEU A 22 11.378 12.245 1.169 1.00 74.04 H new ATOM 0 HB3 LEU A 22 10.917 13.112 -0.283 1.00 74.04 H new ATOM 0 HG LEU A 22 13.375 12.878 0.046 1.00 52.25 H new ATOM 0 HD11 LEU A 22 13.916 15.215 -0.516 1.00 24.21 H new ATOM 0 HD12 LEU A 22 12.459 14.651 -1.369 1.00 24.21 H new ATOM 0 HD13 LEU A 22 12.304 15.719 0.046 1.00 24.21 H new ATOM 0 HD21 LEU A 22 14.486 14.317 1.710 1.00 72.11 H new ATOM 0 HD22 LEU A 22 12.896 14.785 2.359 1.00 72.11 H new ATOM 0 HD23 LEU A 22 13.445 13.097 2.482 1.00 72.11 H new ATOM 319 N THR A 23 8.622 14.990 0.214 1.00 4.02 N ATOM 320 CA THR A 23 7.266 15.004 -0.318 1.00 52.21 C ATOM 321 C THR A 23 7.135 14.069 -1.515 1.00 12.21 C ATOM 322 O THR A 23 8.130 13.702 -2.141 1.00 15.34 O ATOM 323 CB THR A 23 6.843 16.424 -0.742 1.00 22.35 C ATOM 324 OG1 THR A 23 7.810 16.974 -1.643 1.00 51.13 O ATOM 325 CG2 THR A 23 6.700 17.330 0.472 1.00 42.33 C ATOM 0 H THR A 23 9.212 15.755 -0.114 1.00 4.02 H new ATOM 0 HA THR A 23 6.610 14.661 0.482 1.00 52.21 H new ATOM 0 HB THR A 23 5.877 16.358 -1.243 1.00 22.35 H new ATOM 0 HG1 THR A 23 7.533 17.876 -1.909 1.00 51.13 H new ATOM 0 HG21 THR A 23 6.401 18.327 0.149 1.00 42.33 H new ATOM 0 HG22 THR A 23 5.943 16.923 1.142 1.00 42.33 H new ATOM 0 HG23 THR A 23 7.654 17.390 0.996 1.00 42.33 H new ATOM 333 N VAL A 24 5.901 13.687 -1.829 1.00 61.21 N ATOM 334 CA VAL A 24 5.640 12.795 -2.953 1.00 10.31 C ATOM 335 C VAL A 24 6.310 13.303 -4.225 1.00 2.25 C ATOM 336 O VAL A 24 6.700 12.519 -5.089 1.00 4.33 O ATOM 337 CB VAL A 24 4.129 12.642 -3.208 1.00 72.03 C ATOM 338 CG1 VAL A 24 3.530 13.960 -3.675 1.00 74.34 C ATOM 339 CG2 VAL A 24 3.870 11.539 -4.224 1.00 13.33 C ATOM 0 H VAL A 24 5.067 13.981 -1.321 1.00 61.21 H new ATOM 0 HA VAL A 24 6.057 11.823 -2.690 1.00 10.31 H new ATOM 0 HB VAL A 24 3.646 12.363 -2.271 1.00 72.03 H new ATOM 0 HG11 VAL A 24 2.462 13.832 -3.850 1.00 74.34 H new ATOM 0 HG12 VAL A 24 3.684 14.721 -2.910 1.00 74.34 H new ATOM 0 HG13 VAL A 24 4.015 14.272 -4.600 1.00 74.34 H new ATOM 0 HG21 VAL A 24 2.797 11.444 -4.393 1.00 13.33 H new ATOM 0 HG22 VAL A 24 4.364 11.786 -5.163 1.00 13.33 H new ATOM 0 HG23 VAL A 24 4.262 10.595 -3.845 1.00 13.33 H new ATOM 349 N GLY A 25 6.441 14.622 -4.332 1.00 2.01 N ATOM 350 CA GLY A 25 7.065 15.213 -5.501 1.00 63.34 C ATOM 351 C GLY A 25 8.432 14.623 -5.789 1.00 52.43 C ATOM 352 O GLY A 25 8.758 14.327 -6.939 1.00 0.23 O ATOM 0 H GLY A 25 6.126 15.291 -3.630 1.00 2.01 H new ATOM 0 HA2 GLY A 25 6.420 15.066 -6.367 1.00 63.34 H new ATOM 0 HA3 GLY A 25 7.161 16.289 -5.353 1.00 63.34 H new ATOM 356 N SER A 26 9.234 14.454 -4.743 1.00 0.30 N ATOM 357 CA SER A 26 10.575 13.902 -4.890 1.00 25.33 C ATOM 358 C SER A 26 10.516 12.421 -5.253 1.00 43.11 C ATOM 359 O SER A 26 11.354 11.922 -6.005 1.00 31.40 O ATOM 360 CB SER A 26 11.372 14.090 -3.597 1.00 34.21 C ATOM 361 OG SER A 26 12.757 14.220 -3.865 1.00 51.24 O ATOM 0 H SER A 26 8.978 14.691 -3.785 1.00 0.30 H new ATOM 0 HA SER A 26 11.075 14.437 -5.698 1.00 25.33 H new ATOM 0 HB2 SER A 26 11.015 14.976 -3.072 1.00 34.21 H new ATOM 0 HB3 SER A 26 11.205 13.239 -2.936 1.00 34.21 H new ATOM 0 HG SER A 26 13.269 13.731 -3.187 1.00 51.24 H new ATOM 367 N ILE A 27 9.521 11.725 -4.714 1.00 1.42 N ATOM 368 CA ILE A 27 9.351 10.303 -4.982 1.00 24.35 C ATOM 369 C ILE A 27 9.140 10.045 -6.469 1.00 71.35 C ATOM 370 O ILE A 27 9.654 9.070 -7.020 1.00 14.32 O ATOM 371 CB ILE A 27 8.161 9.720 -4.197 1.00 1.23 C ATOM 372 CG1 ILE A 27 8.304 10.032 -2.705 1.00 70.45 C ATOM 373 CG2 ILE A 27 8.061 8.219 -4.423 1.00 4.02 C ATOM 374 CD1 ILE A 27 9.502 9.369 -2.062 1.00 33.31 C ATOM 0 H ILE A 27 8.820 12.123 -4.089 1.00 1.42 H new ATOM 0 HA ILE A 27 10.267 9.809 -4.657 1.00 24.35 H new ATOM 0 HB ILE A 27 7.244 10.184 -4.560 1.00 1.23 H new ATOM 0 HG12 ILE A 27 8.382 11.111 -2.573 1.00 70.45 H new ATOM 0 HG13 ILE A 27 7.400 9.712 -2.187 1.00 70.45 H new ATOM 0 HG21 ILE A 27 7.215 7.822 -3.862 1.00 4.02 H new ATOM 0 HG22 ILE A 27 7.917 8.020 -5.485 1.00 4.02 H new ATOM 0 HG23 ILE A 27 8.979 7.738 -4.085 1.00 4.02 H new ATOM 0 HD11 ILE A 27 9.541 9.634 -1.005 1.00 33.31 H new ATOM 0 HD12 ILE A 27 9.416 8.287 -2.162 1.00 33.31 H new ATOM 0 HD13 ILE A 27 10.413 9.708 -2.555 1.00 33.31 H new ATOM 386 N ILE A 28 8.382 10.925 -7.115 1.00 62.20 N ATOM 387 CA ILE A 28 8.105 10.794 -8.540 1.00 65.21 C ATOM 388 C ILE A 28 9.393 10.836 -9.356 1.00 71.12 C ATOM 389 O ILE A 28 9.594 10.024 -10.259 1.00 43.14 O ATOM 390 CB ILE A 28 7.161 11.905 -9.035 1.00 11.23 C ATOM 391 CG1 ILE A 28 5.859 11.893 -8.231 1.00 72.23 C ATOM 392 CG2 ILE A 28 6.875 11.736 -10.519 1.00 63.34 C ATOM 393 CD1 ILE A 28 5.034 13.150 -8.398 1.00 73.44 C ATOM 0 H ILE A 28 7.949 11.736 -6.674 1.00 62.20 H new ATOM 0 HA ILE A 28 7.620 9.828 -8.680 1.00 65.21 H new ATOM 0 HB ILE A 28 7.649 12.868 -8.887 1.00 11.23 H new ATOM 0 HG12 ILE A 28 5.262 11.033 -8.535 1.00 72.23 H new ATOM 0 HG13 ILE A 28 6.095 11.760 -7.175 1.00 72.23 H new ATOM 0 HG21 ILE A 28 6.206 12.529 -10.853 1.00 63.34 H new ATOM 0 HG22 ILE A 28 7.809 11.789 -11.078 1.00 63.34 H new ATOM 0 HG23 ILE A 28 6.404 10.768 -10.691 1.00 63.34 H new ATOM 0 HD11 ILE A 28 4.126 13.071 -7.800 1.00 73.44 H new ATOM 0 HD12 ILE A 28 5.613 14.012 -8.067 1.00 73.44 H new ATOM 0 HD13 ILE A 28 4.767 13.273 -9.448 1.00 73.44 H new ATOM 405 N SER A 29 10.263 11.787 -9.031 1.00 33.23 N ATOM 406 CA SER A 29 11.531 11.936 -9.735 1.00 11.42 C ATOM 407 C SER A 29 12.410 10.705 -9.539 1.00 34.33 C ATOM 408 O SER A 29 13.192 10.341 -10.417 1.00 42.12 O ATOM 409 CB SER A 29 12.266 13.185 -9.245 1.00 5.05 C ATOM 410 OG SER A 29 13.607 13.200 -9.703 1.00 23.12 O ATOM 0 H SER A 29 10.113 12.466 -8.285 1.00 33.23 H new ATOM 0 HA SER A 29 11.317 12.042 -10.799 1.00 11.42 H new ATOM 0 HB2 SER A 29 11.748 14.077 -9.597 1.00 5.05 H new ATOM 0 HB3 SER A 29 12.250 13.216 -8.156 1.00 5.05 H new ATOM 0 HG SER A 29 14.055 14.009 -9.378 1.00 23.12 H new ATOM 416 N ILE A 30 12.274 10.067 -8.381 1.00 2.53 N ATOM 417 CA ILE A 30 13.054 8.876 -8.069 1.00 4.40 C ATOM 418 C ILE A 30 12.610 7.691 -8.919 1.00 25.53 C ATOM 419 O ILE A 30 13.394 7.140 -9.693 1.00 70.33 O ATOM 420 CB ILE A 30 12.936 8.500 -6.580 1.00 63.43 C ATOM 421 CG1 ILE A 30 13.442 9.645 -5.700 1.00 71.44 C ATOM 422 CG2 ILE A 30 13.711 7.222 -6.294 1.00 45.31 C ATOM 423 CD1 ILE A 30 12.822 9.665 -4.321 1.00 3.24 C ATOM 0 H ILE A 30 11.631 10.355 -7.644 1.00 2.53 H new ATOM 0 HA ILE A 30 14.094 9.111 -8.294 1.00 4.40 H new ATOM 0 HB ILE A 30 11.886 8.325 -6.347 1.00 63.43 H new ATOM 0 HG12 ILE A 30 14.525 9.566 -5.602 1.00 71.44 H new ATOM 0 HG13 ILE A 30 13.235 10.593 -6.197 1.00 71.44 H new ATOM 0 HG21 ILE A 30 13.618 6.969 -5.238 1.00 45.31 H new ATOM 0 HG22 ILE A 30 13.308 6.409 -6.899 1.00 45.31 H new ATOM 0 HG23 ILE A 30 14.762 7.371 -6.540 1.00 45.31 H new ATOM 0 HD11 ILE A 30 13.227 10.502 -3.752 1.00 3.24 H new ATOM 0 HD12 ILE A 30 11.741 9.775 -4.410 1.00 3.24 H new ATOM 0 HD13 ILE A 30 13.051 8.732 -3.806 1.00 3.24 H new ATOM 435 N LEU A 31 11.349 7.303 -8.770 1.00 74.11 N ATOM 436 CA LEU A 31 10.798 6.183 -9.526 1.00 23.25 C ATOM 437 C LEU A 31 10.859 6.455 -11.025 1.00 54.21 C ATOM 438 O LEU A 31 11.202 5.575 -11.813 1.00 3.11 O ATOM 439 CB LEU A 31 9.353 5.917 -9.102 1.00 13.44 C ATOM 440 CG LEU A 31 9.157 5.385 -7.682 1.00 34.14 C ATOM 441 CD1 LEU A 31 7.687 5.099 -7.417 1.00 15.31 C ATOM 442 CD2 LEU A 31 9.993 4.133 -7.461 1.00 42.02 C ATOM 0 H LEU A 31 10.688 7.747 -8.133 1.00 74.11 H new ATOM 0 HA LEU A 31 11.401 5.301 -9.311 1.00 23.25 H new ATOM 0 HB2 LEU A 31 8.790 6.845 -9.202 1.00 13.44 H new ATOM 0 HB3 LEU A 31 8.916 5.202 -9.800 1.00 13.44 H new ATOM 0 HG LEU A 31 9.490 6.149 -6.980 1.00 34.14 H new ATOM 0 HD11 LEU A 31 7.567 4.721 -6.402 1.00 15.31 H new ATOM 0 HD12 LEU A 31 7.111 6.017 -7.533 1.00 15.31 H new ATOM 0 HD13 LEU A 31 7.328 4.353 -8.126 1.00 15.31 H new ATOM 0 HD21 LEU A 31 9.841 3.769 -6.445 1.00 42.02 H new ATOM 0 HD22 LEU A 31 9.691 3.364 -8.172 1.00 42.02 H new ATOM 0 HD23 LEU A 31 11.047 4.369 -7.608 1.00 42.02 H new ATOM 454 N GLY A 32 10.524 7.682 -11.413 1.00 13.34 N ATOM 455 CA GLY A 32 10.548 8.050 -12.816 1.00 64.43 C ATOM 456 C GLY A 32 9.778 7.075 -13.684 1.00 71.33 C ATOM 457 O GLY A 32 10.119 6.865 -14.848 1.00 12.03 O ATOM 0 H GLY A 32 10.236 8.428 -10.780 1.00 13.34 H new ATOM 0 HA2 GLY A 32 10.126 9.048 -12.934 1.00 64.43 H new ATOM 0 HA3 GLY A 32 11.582 8.098 -13.158 1.00 64.43 H new ATOM 461 N GLY A 33 8.736 6.475 -13.117 1.00 14.12 N ATOM 462 CA GLY A 33 7.932 5.523 -13.861 1.00 22.54 C ATOM 463 C GLY A 33 6.452 5.843 -13.804 1.00 12.33 C ATOM 464 O GLY A 33 5.680 5.136 -13.156 1.00 22.21 O ATOM 0 H GLY A 33 8.434 6.631 -12.155 1.00 14.12 H new ATOM 0 HA2 GLY A 33 8.258 5.512 -14.901 1.00 22.54 H new ATOM 0 HA3 GLY A 33 8.099 4.522 -13.463 1.00 22.54 H new ATOM 468 N VAL A 34 6.053 6.915 -14.482 1.00 64.44 N ATOM 469 CA VAL A 34 4.656 7.328 -14.506 1.00 54.41 C ATOM 470 C VAL A 34 4.075 7.383 -13.098 1.00 13.04 C ATOM 471 O VAL A 34 3.016 6.814 -12.827 1.00 65.03 O ATOM 472 CB VAL A 34 3.803 6.376 -15.365 1.00 33.23 C ATOM 473 CG1 VAL A 34 2.437 6.985 -15.643 1.00 1.42 C ATOM 474 CG2 VAL A 34 4.521 6.042 -16.663 1.00 43.34 C ATOM 0 H VAL A 34 6.679 7.513 -15.022 1.00 64.44 H new ATOM 0 HA VAL A 34 4.629 8.325 -14.946 1.00 54.41 H new ATOM 0 HB VAL A 34 3.654 5.450 -14.810 1.00 33.23 H new ATOM 0 HG11 VAL A 34 1.849 6.298 -16.251 1.00 1.42 H new ATOM 0 HG12 VAL A 34 1.921 7.167 -14.700 1.00 1.42 H new ATOM 0 HG13 VAL A 34 2.561 7.927 -16.177 1.00 1.42 H new ATOM 0 HG21 VAL A 34 3.904 5.368 -17.257 1.00 43.34 H new ATOM 0 HG22 VAL A 34 4.702 6.958 -17.225 1.00 43.34 H new ATOM 0 HG23 VAL A 34 5.472 5.559 -16.439 1.00 43.34 H new ATOM 484 N THR A 35 4.774 8.073 -12.201 1.00 72.52 N ATOM 485 CA THR A 35 4.328 8.202 -10.820 1.00 25.55 C ATOM 486 C THR A 35 3.389 9.391 -10.653 1.00 64.23 C ATOM 487 O THR A 35 3.031 9.760 -9.535 1.00 32.00 O ATOM 488 CB THR A 35 5.521 8.365 -9.858 1.00 13.00 C ATOM 489 OG1 THR A 35 6.697 8.722 -10.592 1.00 60.14 O ATOM 490 CG2 THR A 35 5.771 7.080 -9.083 1.00 11.32 C ATOM 0 H THR A 35 5.651 8.551 -12.407 1.00 72.52 H new ATOM 0 HA THR A 35 3.794 7.284 -10.574 1.00 25.55 H new ATOM 0 HB THR A 35 5.282 9.157 -9.149 1.00 13.00 H new ATOM 0 HG1 THR A 35 7.470 8.245 -10.223 1.00 60.14 H new ATOM 0 HG21 THR A 35 6.618 7.219 -8.411 1.00 11.32 H new ATOM 0 HG22 THR A 35 4.884 6.827 -8.502 1.00 11.32 H new ATOM 0 HG23 THR A 35 5.991 6.271 -9.780 1.00 11.32 H new ATOM 498 N VAL A 36 2.993 9.987 -11.773 1.00 42.13 N ATOM 499 CA VAL A 36 2.094 11.134 -11.752 1.00 15.35 C ATOM 500 C VAL A 36 0.805 10.808 -11.004 1.00 42.25 C ATOM 501 O VAL A 36 0.135 11.699 -10.484 1.00 32.44 O ATOM 502 CB VAL A 36 1.743 11.600 -13.177 1.00 44.13 C ATOM 503 CG1 VAL A 36 0.845 12.827 -13.133 1.00 32.40 C ATOM 504 CG2 VAL A 36 3.010 11.885 -13.970 1.00 51.33 C ATOM 0 H VAL A 36 3.281 9.694 -12.707 1.00 42.13 H new ATOM 0 HA VAL A 36 2.619 11.937 -11.235 1.00 15.35 H new ATOM 0 HB VAL A 36 1.199 10.800 -13.678 1.00 44.13 H new ATOM 0 HG11 VAL A 36 0.608 13.141 -14.150 1.00 32.40 H new ATOM 0 HG12 VAL A 36 -0.077 12.585 -12.604 1.00 32.40 H new ATOM 0 HG13 VAL A 36 1.359 13.636 -12.614 1.00 32.40 H new ATOM 0 HG21 VAL A 36 2.744 12.213 -14.975 1.00 51.33 H new ATOM 0 HG22 VAL A 36 3.583 12.668 -13.472 1.00 51.33 H new ATOM 0 HG23 VAL A 36 3.612 10.979 -14.032 1.00 51.33 H new ATOM 514 N GLY A 37 0.465 9.524 -10.956 1.00 35.24 N ATOM 515 CA GLY A 37 -0.743 9.102 -10.269 1.00 43.25 C ATOM 516 C GLY A 37 -0.495 8.768 -8.812 1.00 4.31 C ATOM 517 O GLY A 37 -1.420 8.775 -7.999 1.00 74.34 O ATOM 0 H GLY A 37 1.003 8.768 -11.380 1.00 35.24 H new ATOM 0 HA2 GLY A 37 -1.490 9.893 -10.335 1.00 43.25 H new ATOM 0 HA3 GLY A 37 -1.158 8.229 -10.773 1.00 43.25 H new ATOM 521 N LEU A 38 0.757 8.474 -8.479 1.00 23.01 N ATOM 522 CA LEU A 38 1.125 8.134 -7.109 1.00 32.13 C ATOM 523 C LEU A 38 0.944 9.333 -6.183 1.00 63.30 C ATOM 524 O LEU A 38 0.878 9.183 -4.963 1.00 2.20 O ATOM 525 CB LEU A 38 2.574 7.647 -7.054 1.00 72.24 C ATOM 526 CG LEU A 38 2.783 6.143 -7.234 1.00 65.13 C ATOM 527 CD1 LEU A 38 2.174 5.376 -6.071 1.00 71.01 C ATOM 528 CD2 LEU A 38 2.188 5.675 -8.554 1.00 52.53 C ATOM 0 H LEU A 38 1.535 8.464 -9.139 1.00 23.01 H new ATOM 0 HA LEU A 38 0.467 7.334 -6.771 1.00 32.13 H new ATOM 0 HB2 LEU A 38 3.141 8.167 -7.826 1.00 72.24 H new ATOM 0 HB3 LEU A 38 2.999 7.940 -6.094 1.00 72.24 H new ATOM 0 HG LEU A 38 3.855 5.945 -7.251 1.00 65.13 H new ATOM 0 HD11 LEU A 38 2.333 4.308 -6.217 1.00 71.01 H new ATOM 0 HD12 LEU A 38 2.648 5.690 -5.141 1.00 71.01 H new ATOM 0 HD13 LEU A 38 1.105 5.580 -6.021 1.00 71.01 H new ATOM 0 HD21 LEU A 38 2.346 4.602 -8.665 1.00 52.53 H new ATOM 0 HD22 LEU A 38 1.119 5.887 -8.567 1.00 52.53 H new ATOM 0 HD23 LEU A 38 2.672 6.200 -9.378 1.00 52.53 H new ATOM 540 N SER A 39 0.863 10.522 -6.772 1.00 21.42 N ATOM 541 CA SER A 39 0.692 11.747 -6.000 1.00 35.21 C ATOM 542 C SER A 39 -0.498 11.629 -5.051 1.00 43.35 C ATOM 543 O SER A 39 -0.523 12.250 -3.989 1.00 63.53 O ATOM 544 CB SER A 39 0.496 12.941 -6.936 1.00 12.12 C ATOM 545 OG SER A 39 -0.756 12.872 -7.596 1.00 14.35 O ATOM 0 H SER A 39 0.913 10.663 -7.781 1.00 21.42 H new ATOM 0 HA SER A 39 1.593 11.903 -5.407 1.00 35.21 H new ATOM 0 HB2 SER A 39 0.559 13.868 -6.366 1.00 12.12 H new ATOM 0 HB3 SER A 39 1.298 12.965 -7.673 1.00 12.12 H new ATOM 0 HG SER A 39 -0.627 12.541 -8.509 1.00 14.35 H new ATOM 551 N GLY A 40 -1.483 10.828 -5.444 1.00 72.33 N ATOM 552 CA GLY A 40 -2.663 10.643 -4.619 1.00 65.41 C ATOM 553 C GLY A 40 -2.604 9.367 -3.803 1.00 35.42 C ATOM 554 O GLY A 40 -3.409 9.166 -2.893 1.00 31.20 O ATOM 0 H GLY A 40 -1.485 10.304 -6.319 1.00 72.33 H new ATOM 0 HA2 GLY A 40 -2.771 11.495 -3.948 1.00 65.41 H new ATOM 0 HA3 GLY A 40 -3.548 10.624 -5.255 1.00 65.41 H new ATOM 558 N VAL A 41 -1.651 8.500 -4.129 1.00 3.10 N ATOM 559 CA VAL A 41 -1.491 7.236 -3.420 1.00 1.22 C ATOM 560 C VAL A 41 -0.484 7.368 -2.283 1.00 30.43 C ATOM 561 O VAL A 41 -0.811 7.131 -1.119 1.00 43.43 O ATOM 562 CB VAL A 41 -1.033 6.114 -4.370 1.00 25.33 C ATOM 563 CG1 VAL A 41 -0.841 4.812 -3.606 1.00 12.44 C ATOM 564 CG2 VAL A 41 -2.031 5.934 -5.503 1.00 14.31 C ATOM 0 H VAL A 41 -0.977 8.650 -4.880 1.00 3.10 H new ATOM 0 HA VAL A 41 -2.467 6.977 -3.009 1.00 1.22 H new ATOM 0 HB VAL A 41 -0.074 6.398 -4.803 1.00 25.33 H new ATOM 0 HG11 VAL A 41 -0.517 4.031 -4.294 1.00 12.44 H new ATOM 0 HG12 VAL A 41 -0.085 4.952 -2.834 1.00 12.44 H new ATOM 0 HG13 VAL A 41 -1.783 4.520 -3.143 1.00 12.44 H new ATOM 0 HG21 VAL A 41 -1.691 5.137 -6.164 1.00 14.31 H new ATOM 0 HG22 VAL A 41 -3.006 5.673 -5.091 1.00 14.31 H new ATOM 0 HG23 VAL A 41 -2.113 6.863 -6.067 1.00 14.31 H new ATOM 574 N PHE A 42 0.742 7.746 -2.627 1.00 4.44 N ATOM 575 CA PHE A 42 1.799 7.909 -1.634 1.00 53.24 C ATOM 576 C PHE A 42 1.338 8.810 -0.492 1.00 71.21 C ATOM 577 O PHE A 42 1.764 8.649 0.652 1.00 0.11 O ATOM 578 CB PHE A 42 3.054 8.494 -2.286 1.00 14.23 C ATOM 579 CG PHE A 42 4.333 8.002 -1.671 1.00 52.32 C ATOM 580 CD1 PHE A 42 4.814 6.735 -1.960 1.00 54.54 C ATOM 581 CD2 PHE A 42 5.054 8.807 -0.804 1.00 22.43 C ATOM 582 CE1 PHE A 42 5.991 6.280 -1.397 1.00 34.21 C ATOM 583 CE2 PHE A 42 6.232 8.357 -0.238 1.00 31.44 C ATOM 584 CZ PHE A 42 6.700 7.091 -0.534 1.00 1.35 C ATOM 0 H PHE A 42 1.029 7.945 -3.585 1.00 4.44 H new ATOM 0 HA PHE A 42 2.035 6.926 -1.225 1.00 53.24 H new ATOM 0 HB2 PHE A 42 3.052 8.246 -3.347 1.00 14.23 H new ATOM 0 HB3 PHE A 42 3.019 9.581 -2.212 1.00 14.23 H new ATOM 0 HD1 PHE A 42 4.262 6.096 -2.633 1.00 54.54 H new ATOM 0 HD2 PHE A 42 4.692 9.797 -0.568 1.00 22.43 H new ATOM 0 HE1 PHE A 42 6.356 5.291 -1.632 1.00 34.21 H new ATOM 0 HE2 PHE A 42 6.786 8.994 0.435 1.00 31.44 H new ATOM 0 HZ PHE A 42 7.619 6.737 -0.091 1.00 1.35 H new ATOM 594 N THR A 43 0.464 9.760 -0.811 1.00 30.31 N ATOM 595 CA THR A 43 -0.054 10.688 0.186 1.00 31.54 C ATOM 596 C THR A 43 -0.820 9.950 1.278 1.00 33.33 C ATOM 597 O THR A 43 -0.538 10.112 2.465 1.00 35.31 O ATOM 598 CB THR A 43 -0.979 11.740 -0.453 1.00 15.24 C ATOM 599 OG1 THR A 43 -1.413 11.293 -1.742 1.00 11.00 O ATOM 600 CG2 THR A 43 -0.266 13.077 -0.587 1.00 54.13 C ATOM 0 H THR A 43 0.100 9.907 -1.753 1.00 30.31 H new ATOM 0 HA THR A 43 0.806 11.192 0.627 1.00 31.54 H new ATOM 0 HB THR A 43 -1.845 11.872 0.195 1.00 15.24 H new ATOM 0 HG1 THR A 43 -0.931 11.786 -2.439 1.00 11.00 H new ATOM 0 HG21 THR A 43 -0.939 13.804 -1.041 1.00 54.13 H new ATOM 0 HG22 THR A 43 0.036 13.429 0.399 1.00 54.13 H new ATOM 0 HG23 THR A 43 0.616 12.957 -1.216 1.00 54.13 H new ATOM 608 N ALA A 44 -1.790 9.138 0.869 1.00 11.41 N ATOM 609 CA ALA A 44 -2.595 8.373 1.813 1.00 12.31 C ATOM 610 C ALA A 44 -1.722 7.455 2.661 1.00 1.25 C ATOM 611 O ALA A 44 -2.002 7.229 3.839 1.00 43.21 O ATOM 612 CB ALA A 44 -3.651 7.565 1.073 1.00 44.11 C ATOM 0 H ALA A 44 -2.037 8.993 -0.110 1.00 11.41 H new ATOM 0 HA ALA A 44 -3.093 9.076 2.481 1.00 12.31 H new ATOM 0 HB1 ALA A 44 -4.245 6.999 1.790 1.00 44.11 H new ATOM 0 HB2 ALA A 44 -4.301 8.240 0.516 1.00 44.11 H new ATOM 0 HB3 ALA A 44 -3.164 6.877 0.382 1.00 44.11 H new ATOM 618 N VAL A 45 -0.663 6.928 2.056 1.00 62.52 N ATOM 619 CA VAL A 45 0.252 6.034 2.756 1.00 20.10 C ATOM 620 C VAL A 45 0.973 6.761 3.886 1.00 63.35 C ATOM 621 O VAL A 45 1.072 6.253 5.003 1.00 73.22 O ATOM 622 CB VAL A 45 1.297 5.435 1.796 1.00 50.43 C ATOM 623 CG1 VAL A 45 2.257 4.528 2.550 1.00 44.25 C ATOM 624 CG2 VAL A 45 0.612 4.680 0.667 1.00 33.22 C ATOM 0 H VAL A 45 -0.417 7.105 1.082 1.00 62.52 H new ATOM 0 HA VAL A 45 -0.351 5.227 3.173 1.00 20.10 H new ATOM 0 HB VAL A 45 1.873 6.251 1.359 1.00 50.43 H new ATOM 0 HG11 VAL A 45 2.988 4.114 1.855 1.00 44.25 H new ATOM 0 HG12 VAL A 45 2.773 5.103 3.319 1.00 44.25 H new ATOM 0 HG13 VAL A 45 1.700 3.716 3.017 1.00 44.25 H new ATOM 0 HG21 VAL A 45 1.365 4.263 -0.002 1.00 33.22 H new ATOM 0 HG22 VAL A 45 0.009 3.872 1.083 1.00 33.22 H new ATOM 0 HG23 VAL A 45 -0.030 5.362 0.110 1.00 33.22 H new ATOM 634 N LYS A 46 1.477 7.954 3.588 1.00 74.35 N ATOM 635 CA LYS A 46 2.188 8.753 4.577 1.00 1.55 C ATOM 636 C LYS A 46 1.331 8.969 5.821 1.00 62.22 C ATOM 637 O LYS A 46 1.808 8.827 6.947 1.00 74.04 O ATOM 638 CB LYS A 46 2.588 10.105 3.980 1.00 34.42 C ATOM 639 CG LYS A 46 3.587 9.995 2.842 1.00 72.25 C ATOM 640 CD LYS A 46 3.550 11.222 1.947 1.00 53.32 C ATOM 641 CE LYS A 46 4.500 12.302 2.442 1.00 61.22 C ATOM 642 NZ LYS A 46 3.871 13.159 3.484 1.00 21.04 N ATOM 0 H LYS A 46 1.406 8.388 2.668 1.00 74.35 H new ATOM 0 HA LYS A 46 3.088 8.210 4.866 1.00 1.55 H new ATOM 0 HB2 LYS A 46 1.693 10.612 3.619 1.00 34.42 H new ATOM 0 HB3 LYS A 46 3.013 10.729 4.766 1.00 34.42 H new ATOM 0 HG2 LYS A 46 4.591 9.870 3.249 1.00 72.25 H new ATOM 0 HG3 LYS A 46 3.370 9.106 2.251 1.00 72.25 H new ATOM 0 HD2 LYS A 46 3.818 10.939 0.929 1.00 53.32 H new ATOM 0 HD3 LYS A 46 2.535 11.617 1.912 1.00 53.32 H new ATOM 0 HE2 LYS A 46 5.398 11.837 2.848 1.00 61.22 H new ATOM 0 HE3 LYS A 46 4.814 12.922 1.602 1.00 61.22 H new ATOM 0 HZ1 LYS A 46 4.200 14.139 3.373 1.00 21.04 H new ATOM 0 HZ2 LYS A 46 2.837 13.128 3.381 1.00 21.04 H new ATOM 0 HZ3 LYS A 46 4.136 12.810 4.427 1.00 21.04 H new ATOM 656 N ALA A 47 0.064 9.310 5.609 1.00 44.50 N ATOM 657 CA ALA A 47 -0.859 9.542 6.713 1.00 73.54 C ATOM 658 C ALA A 47 -1.070 8.270 7.528 1.00 42.04 C ATOM 659 O ALA A 47 -1.206 8.320 8.750 1.00 41.24 O ATOM 660 CB ALA A 47 -2.190 10.061 6.187 1.00 23.55 C ATOM 0 H ALA A 47 -0.346 9.432 4.683 1.00 44.50 H new ATOM 0 HA ALA A 47 -0.421 10.294 7.369 1.00 73.54 H new ATOM 0 HB1 ALA A 47 -2.870 10.230 7.022 1.00 23.55 H new ATOM 0 HB2 ALA A 47 -2.030 10.998 5.654 1.00 23.55 H new ATOM 0 HB3 ALA A 47 -2.624 9.327 5.508 1.00 23.55 H new ATOM 666 N ALA A 48 -1.096 7.131 6.843 1.00 53.32 N ATOM 667 CA ALA A 48 -1.289 5.847 7.504 1.00 70.41 C ATOM 668 C ALA A 48 -0.207 5.599 8.549 1.00 4.21 C ATOM 669 O ALA A 48 -0.453 4.957 9.571 1.00 44.42 O ATOM 670 CB ALA A 48 -1.302 4.722 6.479 1.00 54.42 C ATOM 0 H ALA A 48 -0.986 7.072 5.831 1.00 53.32 H new ATOM 0 HA ALA A 48 -2.252 5.871 8.014 1.00 70.41 H new ATOM 0 HB1 ALA A 48 -1.447 3.769 6.987 1.00 54.42 H new ATOM 0 HB2 ALA A 48 -2.115 4.884 5.772 1.00 54.42 H new ATOM 0 HB3 ALA A 48 -0.353 4.707 5.943 1.00 54.42 H new ATOM 676 N ILE A 49 0.991 6.111 8.286 1.00 10.25 N ATOM 677 CA ILE A 49 2.110 5.946 9.205 1.00 23.53 C ATOM 678 C ILE A 49 1.763 6.469 10.595 1.00 40.12 C ATOM 679 O ILE A 49 1.860 5.744 11.584 1.00 12.25 O ATOM 680 CB ILE A 49 3.369 6.671 8.695 1.00 4.25 C ATOM 681 CG1 ILE A 49 3.759 6.151 7.310 1.00 20.45 C ATOM 682 CG2 ILE A 49 4.518 6.492 9.677 1.00 11.20 C ATOM 683 CD1 ILE A 49 4.874 6.939 6.660 1.00 2.03 C ATOM 0 H ILE A 49 1.211 6.643 7.444 1.00 10.25 H new ATOM 0 HA ILE A 49 2.315 4.877 9.263 1.00 23.53 H new ATOM 0 HB ILE A 49 3.149 7.735 8.613 1.00 4.25 H new ATOM 0 HG12 ILE A 49 4.064 5.108 7.395 1.00 20.45 H new ATOM 0 HG13 ILE A 49 2.883 6.175 6.662 1.00 20.45 H new ATOM 0 HG21 ILE A 49 5.401 7.010 9.302 1.00 11.20 H new ATOM 0 HG22 ILE A 49 4.237 6.907 10.645 1.00 11.20 H new ATOM 0 HG23 ILE A 49 4.740 5.431 9.788 1.00 11.20 H new ATOM 0 HD11 ILE A 49 5.097 6.514 5.682 1.00 2.03 H new ATOM 0 HD12 ILE A 49 4.565 7.978 6.542 1.00 2.03 H new ATOM 0 HD13 ILE A 49 5.765 6.894 7.287 1.00 2.03 H new ATOM 695 N ALA A 50 1.356 7.733 10.660 1.00 24.34 N ATOM 696 CA ALA A 50 0.991 8.353 11.928 1.00 74.41 C ATOM 697 C ALA A 50 -0.234 7.677 12.536 1.00 3.03 C ATOM 698 O ALA A 50 -0.458 7.747 13.745 1.00 70.31 O ATOM 699 CB ALA A 50 0.733 9.840 11.733 1.00 23.54 C ATOM 0 H ALA A 50 1.271 8.347 9.850 1.00 24.34 H new ATOM 0 HA ALA A 50 1.824 8.228 12.619 1.00 74.41 H new ATOM 0 HB1 ALA A 50 0.461 10.290 12.688 1.00 23.54 H new ATOM 0 HB2 ALA A 50 1.634 10.318 11.349 1.00 23.54 H new ATOM 0 HB3 ALA A 50 -0.082 9.978 11.022 1.00 23.54 H new ATOM 705 N LYS A 51 -1.024 7.024 11.691 1.00 31.44 N ATOM 706 CA LYS A 51 -2.226 6.334 12.145 1.00 12.41 C ATOM 707 C LYS A 51 -1.874 5.013 12.821 1.00 64.05 C ATOM 708 O LYS A 51 -2.364 4.712 13.908 1.00 13.02 O ATOM 709 CB LYS A 51 -3.169 6.081 10.967 1.00 53.43 C ATOM 710 CG LYS A 51 -4.619 5.891 11.378 1.00 51.42 C ATOM 711 CD LYS A 51 -5.333 7.223 11.537 1.00 4.43 C ATOM 712 CE LYS A 51 -5.835 7.750 10.202 1.00 70.03 C ATOM 713 NZ LYS A 51 -7.093 7.075 9.777 1.00 24.10 N ATOM 0 H LYS A 51 -0.854 6.958 10.687 1.00 31.44 H new ATOM 0 HA LYS A 51 -2.727 6.972 12.873 1.00 12.41 H new ATOM 0 HB2 LYS A 51 -3.104 6.919 10.274 1.00 53.43 H new ATOM 0 HB3 LYS A 51 -2.834 5.195 10.428 1.00 53.43 H new ATOM 0 HG2 LYS A 51 -5.134 5.288 10.630 1.00 51.42 H new ATOM 0 HG3 LYS A 51 -4.663 5.339 12.317 1.00 51.42 H new ATOM 0 HD2 LYS A 51 -6.173 7.107 12.222 1.00 4.43 H new ATOM 0 HD3 LYS A 51 -4.654 7.949 11.984 1.00 4.43 H new ATOM 0 HE2 LYS A 51 -6.006 8.824 10.277 1.00 70.03 H new ATOM 0 HE3 LYS A 51 -5.068 7.602 9.441 1.00 70.03 H new ATOM 0 HZ1 LYS A 51 -7.403 7.462 8.863 1.00 24.10 H new ATOM 0 HZ2 LYS A 51 -6.923 6.053 9.681 1.00 24.10 H new ATOM 0 HZ3 LYS A 51 -7.832 7.238 10.490 1.00 24.10 H new ATOM 727 N GLN A 52 -1.020 4.230 12.169 1.00 21.10 N ATOM 728 CA GLN A 52 -0.602 2.941 12.708 1.00 1.33 C ATOM 729 C GLN A 52 0.914 2.883 12.866 1.00 60.14 C ATOM 730 O GLN A 52 1.431 2.835 13.981 1.00 60.51 O ATOM 731 CB GLN A 52 -1.076 1.806 11.799 1.00 12.14 C ATOM 732 CG GLN A 52 -2.452 1.271 12.162 1.00 53.23 C ATOM 733 CD GLN A 52 -2.422 0.348 13.364 1.00 65.13 C ATOM 734 OE1 GLN A 52 -1.866 -0.750 13.304 1.00 54.41 O ATOM 735 NE2 GLN A 52 -3.019 0.788 14.464 1.00 14.55 N ATOM 0 H GLN A 52 -0.604 4.465 11.268 1.00 21.10 H new ATOM 0 HA GLN A 52 -1.056 2.822 13.692 1.00 1.33 H new ATOM 0 HB2 GLN A 52 -1.093 2.160 10.768 1.00 12.14 H new ATOM 0 HB3 GLN A 52 -0.355 0.990 11.844 1.00 12.14 H new ATOM 0 HG2 GLN A 52 -3.120 2.107 12.368 1.00 53.23 H new ATOM 0 HG3 GLN A 52 -2.866 0.735 11.308 1.00 53.23 H new ATOM 0 HE21 GLN A 52 -3.467 1.704 14.469 1.00 14.55 H new ATOM 0 HE22 GLN A 52 -3.030 0.210 15.304 1.00 14.55 H new ATOM 744 N GLY A 53 1.622 2.887 11.740 1.00 53.41 N ATOM 745 CA GLY A 53 3.072 2.834 11.775 1.00 55.11 C ATOM 746 C GLY A 53 3.677 2.622 10.402 1.00 62.13 C ATOM 747 O GLY A 53 3.022 2.096 9.502 1.00 72.04 O ATOM 0 H GLY A 53 1.217 2.926 10.805 1.00 53.41 H new ATOM 0 HA2 GLY A 53 3.456 3.762 12.199 1.00 55.11 H new ATOM 0 HA3 GLY A 53 3.387 2.027 12.436 1.00 55.11 H new ATOM 751 N ILE A 54 4.930 3.033 10.240 1.00 63.05 N ATOM 752 CA ILE A 54 5.623 2.885 8.966 1.00 44.32 C ATOM 753 C ILE A 54 5.537 1.451 8.456 1.00 24.42 C ATOM 754 O ILE A 54 5.442 1.212 7.252 1.00 13.12 O ATOM 755 CB ILE A 54 7.105 3.289 9.081 1.00 1.30 C ATOM 756 CG1 ILE A 54 7.761 2.574 10.264 1.00 14.54 C ATOM 757 CG2 ILE A 54 7.233 4.798 9.230 1.00 73.03 C ATOM 758 CD1 ILE A 54 9.227 2.906 10.434 1.00 53.21 C ATOM 0 H ILE A 54 5.486 3.471 10.975 1.00 63.05 H new ATOM 0 HA ILE A 54 5.127 3.550 8.259 1.00 44.32 H new ATOM 0 HB ILE A 54 7.620 2.989 8.168 1.00 1.30 H new ATOM 0 HG12 ILE A 54 7.229 2.838 11.178 1.00 14.54 H new ATOM 0 HG13 ILE A 54 7.654 1.497 10.132 1.00 14.54 H new ATOM 0 HG21 ILE A 54 8.286 5.068 9.310 1.00 73.03 H new ATOM 0 HG22 ILE A 54 6.798 5.288 8.359 1.00 73.03 H new ATOM 0 HG23 ILE A 54 6.706 5.121 10.128 1.00 73.03 H new ATOM 0 HD11 ILE A 54 9.626 2.364 11.291 1.00 53.21 H new ATOM 0 HD12 ILE A 54 9.772 2.616 9.536 1.00 53.21 H new ATOM 0 HD13 ILE A 54 9.341 3.978 10.598 1.00 53.21 H new ATOM 770 N LYS A 55 5.570 0.497 9.381 1.00 2.21 N ATOM 771 CA LYS A 55 5.493 -0.915 9.028 1.00 72.34 C ATOM 772 C LYS A 55 4.230 -1.206 8.223 1.00 62.42 C ATOM 773 O LYS A 55 4.267 -1.939 7.234 1.00 72.00 O ATOM 774 CB LYS A 55 5.516 -1.780 10.290 1.00 65.10 C ATOM 775 CG LYS A 55 4.425 -1.431 11.287 1.00 71.12 C ATOM 776 CD LYS A 55 3.232 -2.364 11.157 1.00 42.40 C ATOM 777 CE LYS A 55 3.432 -3.639 11.962 1.00 54.13 C ATOM 778 NZ LYS A 55 2.315 -4.603 11.759 1.00 15.45 N ATOM 0 H LYS A 55 5.650 0.677 10.382 1.00 2.21 H new ATOM 0 HA LYS A 55 6.360 -1.158 8.413 1.00 72.34 H new ATOM 0 HB2 LYS A 55 5.414 -2.827 10.004 1.00 65.10 H new ATOM 0 HB3 LYS A 55 6.487 -1.675 10.775 1.00 65.10 H new ATOM 0 HG2 LYS A 55 4.824 -1.488 12.300 1.00 71.12 H new ATOM 0 HG3 LYS A 55 4.102 -0.402 11.129 1.00 71.12 H new ATOM 0 HD2 LYS A 55 2.331 -1.854 11.498 1.00 42.40 H new ATOM 0 HD3 LYS A 55 3.078 -2.615 10.108 1.00 42.40 H new ATOM 0 HE2 LYS A 55 4.373 -4.107 11.673 1.00 54.13 H new ATOM 0 HE3 LYS A 55 3.511 -3.392 13.021 1.00 54.13 H new ATOM 0 HZ1 LYS A 55 2.488 -5.459 12.324 1.00 15.45 H new ATOM 0 HZ2 LYS A 55 1.420 -4.166 12.058 1.00 15.45 H new ATOM 0 HZ3 LYS A 55 2.256 -4.859 10.753 1.00 15.45 H new ATOM 792 N LYS A 56 3.114 -0.627 8.652 1.00 41.04 N ATOM 793 CA LYS A 56 1.840 -0.821 7.970 1.00 71.41 C ATOM 794 C LYS A 56 1.867 -0.199 6.578 1.00 62.04 C ATOM 795 O LYS A 56 1.272 -0.728 5.639 1.00 23.23 O ATOM 796 CB LYS A 56 0.701 -0.212 8.790 1.00 11.23 C ATOM 797 CG LYS A 56 -0.657 -0.315 8.117 1.00 23.42 C ATOM 798 CD LYS A 56 -1.562 -1.302 8.836 1.00 2.31 C ATOM 799 CE LYS A 56 -1.331 -2.725 8.352 1.00 54.04 C ATOM 800 NZ LYS A 56 -2.332 -3.131 7.327 1.00 55.14 N ATOM 0 H LYS A 56 3.066 -0.019 9.470 1.00 41.04 H new ATOM 0 HA LYS A 56 1.672 -1.893 7.866 1.00 71.41 H new ATOM 0 HB2 LYS A 56 0.656 -0.710 9.759 1.00 11.23 H new ATOM 0 HB3 LYS A 56 0.923 0.838 8.981 1.00 11.23 H new ATOM 0 HG2 LYS A 56 -1.130 0.667 8.098 1.00 23.42 H new ATOM 0 HG3 LYS A 56 -0.528 -0.627 7.081 1.00 23.42 H new ATOM 0 HD2 LYS A 56 -1.381 -1.248 9.909 1.00 2.31 H new ATOM 0 HD3 LYS A 56 -2.604 -1.026 8.674 1.00 2.31 H new ATOM 0 HE2 LYS A 56 -0.328 -2.808 7.933 1.00 54.04 H new ATOM 0 HE3 LYS A 56 -1.380 -3.409 9.199 1.00 54.04 H new ATOM 0 HZ1 LYS A 56 -2.141 -4.107 7.022 1.00 55.14 H new ATOM 0 HZ2 LYS A 56 -3.287 -3.076 7.734 1.00 55.14 H new ATOM 0 HZ3 LYS A 56 -2.268 -2.494 6.508 1.00 55.14 H new ATOM 814 N ALA A 57 2.563 0.926 6.451 1.00 54.40 N ATOM 815 CA ALA A 57 2.670 1.618 5.173 1.00 42.25 C ATOM 816 C ALA A 57 3.230 0.696 4.095 1.00 40.12 C ATOM 817 O ALA A 57 2.858 0.796 2.925 1.00 24.01 O ATOM 818 CB ALA A 57 3.542 2.857 5.315 1.00 53.34 C ATOM 0 H ALA A 57 3.061 1.377 7.218 1.00 54.40 H new ATOM 0 HA ALA A 57 1.669 1.924 4.869 1.00 42.25 H new ATOM 0 HB1 ALA A 57 3.613 3.364 4.353 1.00 53.34 H new ATOM 0 HB2 ALA A 57 3.100 3.531 6.049 1.00 53.34 H new ATOM 0 HB3 ALA A 57 4.539 2.565 5.646 1.00 53.34 H new ATOM 824 N ILE A 58 4.125 -0.200 4.496 1.00 23.00 N ATOM 825 CA ILE A 58 4.736 -1.140 3.564 1.00 55.33 C ATOM 826 C ILE A 58 3.675 -1.958 2.835 1.00 41.12 C ATOM 827 O ILE A 58 3.601 -1.941 1.606 1.00 21.55 O ATOM 828 CB ILE A 58 5.703 -2.098 4.283 1.00 72.30 C ATOM 829 CG1 ILE A 58 6.804 -1.309 4.993 1.00 44.52 C ATOM 830 CG2 ILE A 58 6.304 -3.085 3.293 1.00 5.32 C ATOM 831 CD1 ILE A 58 7.651 -2.152 5.920 1.00 61.11 C ATOM 0 H ILE A 58 4.443 -0.295 5.460 1.00 23.00 H new ATOM 0 HA ILE A 58 5.296 -0.548 2.840 1.00 55.33 H new ATOM 0 HB ILE A 58 5.145 -2.659 5.032 1.00 72.30 H new ATOM 0 HG12 ILE A 58 7.448 -0.847 4.245 1.00 44.52 H new ATOM 0 HG13 ILE A 58 6.349 -0.500 5.565 1.00 44.52 H new ATOM 0 HG21 ILE A 58 6.986 -3.756 3.816 1.00 5.32 H new ATOM 0 HG22 ILE A 58 5.507 -3.667 2.830 1.00 5.32 H new ATOM 0 HG23 ILE A 58 6.851 -2.541 2.523 1.00 5.32 H new ATOM 0 HD11 ILE A 58 8.411 -1.526 6.389 1.00 61.11 H new ATOM 0 HD12 ILE A 58 7.019 -2.593 6.690 1.00 61.11 H new ATOM 0 HD13 ILE A 58 8.135 -2.945 5.350 1.00 61.11 H new ATOM 843 N GLN A 59 2.856 -2.671 3.601 1.00 54.13 N ATOM 844 CA GLN A 59 1.798 -3.495 3.027 1.00 0.40 C ATOM 845 C GLN A 59 0.879 -2.661 2.140 1.00 44.01 C ATOM 846 O GLN A 59 0.302 -3.167 1.176 1.00 23.15 O ATOM 847 CB GLN A 59 0.985 -4.164 4.137 1.00 43.13 C ATOM 848 CG GLN A 59 1.702 -5.331 4.797 1.00 43.51 C ATOM 849 CD GLN A 59 0.856 -6.014 5.852 1.00 35.22 C ATOM 850 OE1 GLN A 59 -0.227 -6.525 5.561 1.00 5.14 O ATOM 851 NE2 GLN A 59 1.345 -6.028 7.087 1.00 53.14 N ATOM 0 H GLN A 59 2.904 -2.695 4.620 1.00 54.13 H new ATOM 0 HA GLN A 59 2.265 -4.265 2.413 1.00 0.40 H new ATOM 0 HB2 GLN A 59 0.742 -3.421 4.897 1.00 43.13 H new ATOM 0 HB3 GLN A 59 0.040 -4.516 3.722 1.00 43.13 H new ATOM 0 HG2 GLN A 59 1.982 -6.058 4.035 1.00 43.51 H new ATOM 0 HG3 GLN A 59 2.626 -4.974 5.252 1.00 43.51 H new ATOM 0 HE21 GLN A 59 2.246 -5.593 7.284 1.00 53.14 H new ATOM 0 HE22 GLN A 59 0.819 -6.474 7.839 1.00 53.14 H new ATOM 860 N LEU A 60 0.747 -1.381 2.471 1.00 65.23 N ATOM 861 CA LEU A 60 -0.102 -0.476 1.704 1.00 61.31 C ATOM 862 C LEU A 60 0.442 -0.284 0.292 1.00 5.10 C ATOM 863 O LEU A 60 -0.276 -0.462 -0.691 1.00 54.10 O ATOM 864 CB LEU A 60 -0.208 0.876 2.410 1.00 15.24 C ATOM 865 CG LEU A 60 -1.598 1.259 2.921 1.00 21.13 C ATOM 866 CD1 LEU A 60 -2.590 1.324 1.771 1.00 75.11 C ATOM 867 CD2 LEU A 60 -2.068 0.271 3.979 1.00 72.33 C ATOM 0 H LEU A 60 1.217 -0.947 3.265 1.00 65.23 H new ATOM 0 HA LEU A 60 -1.095 -0.921 1.633 1.00 61.31 H new ATOM 0 HB2 LEU A 60 0.481 0.877 3.255 1.00 15.24 H new ATOM 0 HB3 LEU A 60 0.130 1.650 1.722 1.00 15.24 H new ATOM 0 HG LEU A 60 -1.537 2.247 3.377 1.00 21.13 H new ATOM 0 HD11 LEU A 60 -3.573 1.598 2.154 1.00 75.11 H new ATOM 0 HD12 LEU A 60 -2.261 2.071 1.048 1.00 75.11 H new ATOM 0 HD13 LEU A 60 -2.648 0.350 1.285 1.00 75.11 H new ATOM 0 HD21 LEU A 60 -3.059 0.559 4.331 1.00 72.33 H new ATOM 0 HD22 LEU A 60 -2.113 -0.729 3.548 1.00 72.33 H new ATOM 0 HD23 LEU A 60 -1.370 0.275 4.816 1.00 72.33 H new TER 879 LEU A 60