USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -6:sc= 1 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00595 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -138:sc= 0.154 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= -0.443 (180deg=-1.97!) USER MOD Single : A 54 SER OG : rot 64:sc= 0.907 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.575 -10.063 -7.234 1.00 0.00 N ATOM 2 CA SER A 1 -9.703 -8.905 -6.891 1.00 0.00 C ATOM 3 C SER A 1 -8.295 -9.147 -7.440 1.00 0.00 C ATOM 4 O SER A 1 -7.564 -9.986 -6.952 1.00 0.00 O ATOM 5 CB SER A 1 -9.637 -8.748 -5.371 1.00 0.00 C ATOM 6 OG SER A 1 -8.811 -9.769 -4.830 1.00 0.00 O ATOM 0 H1 SER A 1 -11.532 -9.899 -6.861 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.620 -10.170 -8.268 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.183 -10.929 -6.813 1.00 0.00 H new ATOM 0 HA SER A 1 -10.115 -7.997 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.239 -7.767 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.638 -8.809 -4.944 1.00 0.00 H new ATOM 0 HG SER A 1 -8.559 -10.396 -5.540 1.00 0.00 H new ATOM 14 N GLU A 2 -7.908 -8.417 -8.451 1.00 0.00 N ATOM 15 CA GLU A 2 -6.548 -8.606 -9.028 1.00 0.00 C ATOM 16 C GLU A 2 -5.528 -7.830 -8.194 1.00 0.00 C ATOM 17 O GLU A 2 -5.880 -7.066 -7.318 1.00 0.00 O ATOM 18 CB GLU A 2 -6.529 -8.087 -10.468 1.00 0.00 C ATOM 19 CG GLU A 2 -5.835 -9.110 -11.370 1.00 0.00 C ATOM 20 CD GLU A 2 -4.472 -8.565 -11.804 1.00 0.00 C ATOM 21 OE1 GLU A 2 -3.978 -7.666 -11.145 1.00 0.00 O ATOM 22 OE2 GLU A 2 -3.947 -9.056 -12.790 1.00 0.00 O ATOM 0 H GLU A 2 -8.475 -7.699 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.294 -9.666 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.547 -7.911 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.006 -7.132 -10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.709 -10.053 -10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.451 -9.317 -12.245 1.00 0.00 H new ATOM 29 N ILE A 3 -4.263 -8.019 -8.459 1.00 0.00 N ATOM 30 CA ILE A 3 -3.222 -7.291 -7.681 1.00 0.00 C ATOM 31 C ILE A 3 -2.602 -6.200 -8.556 1.00 0.00 C ATOM 32 O ILE A 3 -2.425 -6.370 -9.746 1.00 0.00 O ATOM 33 CB ILE A 3 -2.133 -8.272 -7.243 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.775 -9.446 -6.500 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.147 -7.561 -6.315 1.00 0.00 C ATOM 36 CD1 ILE A 3 -3.611 -8.916 -5.334 1.00 0.00 C ATOM 0 H ILE A 3 -3.907 -8.646 -9.180 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.678 -6.837 -6.801 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.603 -8.641 -8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.403 -10.021 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.004 -10.122 -6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.371 -8.261 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.690 -6.724 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.676 -7.191 -5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.068 -9.752 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.970 -8.360 -4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.391 -8.258 -5.716 1.00 0.00 H new ATOM 48 N ILE A 4 -2.270 -5.079 -7.976 1.00 0.00 N ATOM 49 CA ILE A 4 -1.662 -3.978 -8.775 1.00 0.00 C ATOM 50 C ILE A 4 -0.174 -3.866 -8.440 1.00 0.00 C ATOM 51 O ILE A 4 0.202 -3.605 -7.315 1.00 0.00 O ATOM 52 CB ILE A 4 -2.360 -2.660 -8.441 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.869 -2.817 -8.641 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.836 -1.557 -9.363 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.161 -3.097 -10.116 1.00 0.00 C ATOM 0 H ILE A 4 -2.394 -4.878 -6.984 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.780 -4.193 -9.837 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.156 -2.394 -7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.246 -3.632 -8.023 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.385 -1.911 -8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.334 -0.617 -9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.761 -1.445 -9.221 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.039 -1.823 -10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.236 -3.209 -10.259 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.799 -2.267 -10.723 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.657 -4.015 -10.419 1.00 0.00 H new ATOM 67 N ARG A 5 0.678 -4.061 -9.409 1.00 0.00 N ATOM 68 CA ARG A 5 2.141 -3.965 -9.146 1.00 0.00 C ATOM 69 C ARG A 5 2.672 -2.639 -9.689 1.00 0.00 C ATOM 70 O ARG A 5 1.920 -1.775 -10.095 1.00 0.00 O ATOM 71 CB ARG A 5 2.864 -5.123 -9.837 1.00 0.00 C ATOM 72 CG ARG A 5 2.125 -6.431 -9.549 1.00 0.00 C ATOM 73 CD ARG A 5 1.373 -6.881 -10.803 1.00 0.00 C ATOM 74 NE ARG A 5 1.790 -8.265 -11.161 1.00 0.00 N ATOM 75 CZ ARG A 5 2.196 -8.531 -12.373 1.00 0.00 C ATOM 76 NH1 ARG A 5 1.342 -8.542 -13.359 1.00 0.00 N ATOM 77 NH2 ARG A 5 3.456 -8.786 -12.598 1.00 0.00 N ATOM 0 H ARG A 5 0.424 -4.283 -10.372 1.00 0.00 H new ATOM 0 HA ARG A 5 2.318 -4.016 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.909 -4.948 -10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.892 -5.188 -9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.833 -7.201 -9.241 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.427 -6.292 -8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.298 -6.848 -10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.582 -6.201 -11.629 1.00 0.00 H new ATOM 0 HE ARG A 5 1.758 -9.005 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.357 -8.343 -13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.659 -8.750 -14.306 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.124 -8.778 -11.827 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.773 -8.994 -13.545 1.00 0.00 H new ATOM 91 N VAL A 6 3.965 -2.472 -9.700 1.00 0.00 N ATOM 92 CA VAL A 6 4.549 -1.203 -10.215 1.00 0.00 C ATOM 93 C VAL A 6 4.566 -1.238 -11.748 1.00 0.00 C ATOM 94 O VAL A 6 4.806 -2.272 -12.337 1.00 0.00 O ATOM 95 CB VAL A 6 5.979 -1.058 -9.688 1.00 0.00 C ATOM 96 CG1 VAL A 6 6.666 0.125 -10.374 1.00 0.00 C ATOM 97 CG2 VAL A 6 5.941 -0.817 -8.178 1.00 0.00 C ATOM 0 H VAL A 6 4.643 -3.161 -9.374 1.00 0.00 H new ATOM 0 HA VAL A 6 3.949 -0.357 -9.879 1.00 0.00 H new ATOM 0 HB VAL A 6 6.536 -1.971 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.683 0.224 -9.996 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.694 -0.045 -11.450 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.111 1.039 -10.165 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.958 -0.713 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.382 0.095 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.456 -1.661 -7.687 1.00 0.00 H new ATOM 107 N PRO A 7 4.308 -0.103 -12.348 1.00 0.00 N ATOM 108 CA PRO A 7 4.285 0.032 -13.814 1.00 0.00 C ATOM 109 C PRO A 7 5.710 0.108 -14.368 1.00 0.00 C ATOM 110 O PRO A 7 6.673 -0.141 -13.669 1.00 0.00 O ATOM 111 CB PRO A 7 3.539 1.349 -14.042 1.00 0.00 C ATOM 112 CG PRO A 7 3.678 2.163 -12.733 1.00 0.00 C ATOM 113 CD PRO A 7 4.017 1.151 -11.621 1.00 0.00 C ATOM 0 HA PRO A 7 3.811 -0.813 -14.314 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.963 1.894 -14.885 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.490 1.166 -14.276 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.462 2.915 -12.825 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.753 2.693 -12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.874 1.478 -11.033 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.184 1.026 -10.929 1.00 0.00 H new ATOM 121 N ASP A 8 5.850 0.452 -15.618 1.00 0.00 N ATOM 122 CA ASP A 8 7.211 0.545 -16.218 1.00 0.00 C ATOM 123 C ASP A 8 7.825 1.903 -15.876 1.00 0.00 C ATOM 124 O ASP A 8 7.385 2.932 -16.349 1.00 0.00 O ATOM 125 CB ASP A 8 7.110 0.399 -17.738 1.00 0.00 C ATOM 126 CG ASP A 8 8.514 0.390 -18.345 1.00 0.00 C ATOM 127 OD1 ASP A 8 9.399 -0.185 -17.733 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.680 0.957 -19.412 1.00 0.00 O ATOM 0 H ASP A 8 5.081 0.673 -16.250 1.00 0.00 H new ATOM 0 HA ASP A 8 7.840 -0.250 -15.818 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.587 -0.523 -17.991 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.527 1.221 -18.155 1.00 0.00 H new ATOM 133 N ILE A 9 8.838 1.916 -15.053 1.00 0.00 N ATOM 134 CA ILE A 9 9.478 3.209 -14.679 1.00 0.00 C ATOM 135 C ILE A 9 10.824 3.333 -15.393 1.00 0.00 C ATOM 136 O ILE A 9 11.440 4.381 -15.400 1.00 0.00 O ATOM 137 CB ILE A 9 9.700 3.272 -13.160 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.339 1.930 -12.507 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.820 4.371 -12.565 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.634 1.997 -11.008 1.00 0.00 C ATOM 0 H ILE A 9 9.250 1.087 -14.624 1.00 0.00 H new ATOM 0 HA ILE A 9 8.823 4.028 -14.976 1.00 0.00 H new ATOM 0 HB ILE A 9 10.751 3.488 -12.968 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.285 1.705 -12.671 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.912 1.124 -12.966 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.975 4.418 -11.487 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.083 5.330 -13.012 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.773 4.150 -12.771 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.378 1.045 -10.544 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.693 2.202 -10.854 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.041 2.792 -10.556 1.00 0.00 H new ATOM 152 N GLY A 10 11.289 2.272 -15.994 1.00 0.00 N ATOM 153 CA GLY A 10 12.596 2.332 -16.707 1.00 0.00 C ATOM 154 C GLY A 10 13.733 2.412 -15.687 1.00 0.00 C ATOM 155 O GLY A 10 14.698 3.125 -15.873 1.00 0.00 O ATOM 0 H GLY A 10 10.820 1.366 -16.022 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.719 1.450 -17.336 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.623 3.200 -17.366 1.00 0.00 H new ATOM 159 N GLY A 11 13.627 1.685 -14.609 1.00 0.00 N ATOM 160 CA GLY A 11 14.703 1.720 -13.578 1.00 0.00 C ATOM 161 C GLY A 11 14.139 1.259 -12.232 1.00 0.00 C ATOM 162 O GLY A 11 13.182 0.512 -12.173 1.00 0.00 O ATOM 0 H GLY A 11 12.842 1.069 -14.397 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.529 1.075 -13.878 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.103 2.730 -13.489 1.00 0.00 H new ATOM 166 N ASP A 12 14.723 1.698 -11.152 1.00 0.00 N ATOM 167 CA ASP A 12 14.219 1.284 -9.813 1.00 0.00 C ATOM 168 C ASP A 12 13.148 2.269 -9.344 1.00 0.00 C ATOM 169 O ASP A 12 12.894 3.274 -9.979 1.00 0.00 O ATOM 170 CB ASP A 12 15.378 1.277 -8.811 1.00 0.00 C ATOM 171 CG ASP A 12 15.978 2.680 -8.716 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.228 3.609 -8.468 1.00 0.00 O ATOM 173 OD2 ASP A 12 17.180 2.802 -8.893 1.00 0.00 O ATOM 0 H ASP A 12 15.527 2.325 -11.139 1.00 0.00 H new ATOM 0 HA ASP A 12 13.790 0.284 -9.880 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.024 0.954 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.140 0.564 -9.126 1.00 0.00 H new ATOM 178 N GLY A 13 12.514 1.991 -8.238 1.00 0.00 N ATOM 179 CA GLY A 13 11.459 2.913 -7.730 1.00 0.00 C ATOM 180 C GLY A 13 11.446 2.884 -6.202 1.00 0.00 C ATOM 181 O GLY A 13 10.974 1.945 -5.593 1.00 0.00 O ATOM 0 H GLY A 13 12.681 1.165 -7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.647 3.927 -8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.485 2.616 -8.118 1.00 0.00 H new ATOM 185 N GLU A 14 11.962 3.906 -5.576 1.00 0.00 N ATOM 186 CA GLU A 14 11.980 3.936 -4.086 1.00 0.00 C ATOM 187 C GLU A 14 10.731 4.658 -3.576 1.00 0.00 C ATOM 188 O GLU A 14 10.567 5.846 -3.769 1.00 0.00 O ATOM 189 CB GLU A 14 13.230 4.678 -3.605 1.00 0.00 C ATOM 190 CG GLU A 14 14.478 3.893 -4.014 1.00 0.00 C ATOM 191 CD GLU A 14 14.650 3.962 -5.533 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.897 5.047 -6.032 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.532 2.929 -6.170 1.00 0.00 O ATOM 0 H GLU A 14 12.372 4.721 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 14 11.993 2.916 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.260 5.679 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.201 4.797 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.358 4.304 -3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.388 2.855 -3.694 1.00 0.00 H new ATOM 200 N VAL A 15 9.849 3.949 -2.925 1.00 0.00 N ATOM 201 CA VAL A 15 8.612 4.595 -2.403 1.00 0.00 C ATOM 202 C VAL A 15 8.991 5.794 -1.532 1.00 0.00 C ATOM 203 O VAL A 15 9.876 5.716 -0.703 1.00 0.00 O ATOM 204 CB VAL A 15 7.823 3.586 -1.567 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.496 4.209 -1.131 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.548 2.336 -2.405 1.00 0.00 C ATOM 0 H VAL A 15 9.932 2.951 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 15 7.999 4.933 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 15 8.402 3.314 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.934 3.489 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.691 5.100 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.915 4.482 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.986 1.616 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.969 2.609 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.493 1.891 -2.715 1.00 0.00 H new ATOM 216 N ILE A 16 8.327 6.904 -1.711 1.00 0.00 N ATOM 217 CA ILE A 16 8.651 8.105 -0.892 1.00 0.00 C ATOM 218 C ILE A 16 7.522 8.358 0.109 1.00 0.00 C ATOM 219 O ILE A 16 7.752 8.515 1.292 1.00 0.00 O ATOM 220 CB ILE A 16 8.801 9.321 -1.808 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.911 9.055 -2.828 1.00 0.00 C ATOM 222 CG2 ILE A 16 9.163 10.550 -0.972 1.00 0.00 C ATOM 223 CD1 ILE A 16 11.172 8.588 -2.101 1.00 0.00 C ATOM 0 H ILE A 16 7.575 7.030 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 16 9.584 7.938 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 16 7.861 9.501 -2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.589 8.297 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.121 9.961 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.270 11.416 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.374 10.740 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.103 10.371 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.962 8.399 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.497 9.360 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.957 7.671 -1.552 1.00 0.00 H new ATOM 235 N GLU A 17 6.302 8.398 -0.354 1.00 0.00 N ATOM 236 CA GLU A 17 5.161 8.641 0.572 1.00 0.00 C ATOM 237 C GLU A 17 3.951 7.824 0.115 1.00 0.00 C ATOM 238 O GLU A 17 3.804 7.513 -1.051 1.00 0.00 O ATOM 239 CB GLU A 17 4.805 10.129 0.565 1.00 0.00 C ATOM 240 CG GLU A 17 3.703 10.395 1.592 1.00 0.00 C ATOM 241 CD GLU A 17 3.932 11.761 2.243 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.788 12.487 1.766 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.246 12.057 3.207 1.00 0.00 O ATOM 0 H GLU A 17 6.047 8.273 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 17 5.442 8.341 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.687 10.726 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.471 10.429 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.726 10.370 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.703 9.613 2.352 1.00 0.00 H new ATOM 250 N LEU A 18 3.082 7.474 1.023 1.00 0.00 N ATOM 251 CA LEU A 18 1.882 6.678 0.640 1.00 0.00 C ATOM 252 C LEU A 18 0.615 7.452 1.013 1.00 0.00 C ATOM 253 O LEU A 18 0.352 7.705 2.172 1.00 0.00 O ATOM 254 CB LEU A 18 1.899 5.340 1.380 1.00 0.00 C ATOM 255 CG LEU A 18 1.765 4.197 0.373 1.00 0.00 C ATOM 256 CD1 LEU A 18 3.098 3.455 0.260 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.682 3.226 0.846 1.00 0.00 C ATOM 0 H LEU A 18 3.151 7.705 2.014 1.00 0.00 H new ATOM 0 HA LEU A 18 1.894 6.498 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.827 5.236 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.082 5.301 2.101 1.00 0.00 H new ATOM 0 HG LEU A 18 1.492 4.603 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.001 2.641 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.871 4.145 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.372 3.050 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.586 2.411 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.956 2.822 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.269 3.753 0.926 1.00 0.00 H new ATOM 269 N LEU A 19 -0.169 7.828 0.042 1.00 0.00 N ATOM 270 CA LEU A 19 -1.418 8.584 0.343 1.00 0.00 C ATOM 271 C LEU A 19 -2.628 7.667 0.157 1.00 0.00 C ATOM 272 O LEU A 19 -3.566 7.995 -0.541 1.00 0.00 O ATOM 273 CB LEU A 19 -1.533 9.778 -0.607 1.00 0.00 C ATOM 274 CG LEU A 19 -1.618 9.278 -2.049 1.00 0.00 C ATOM 275 CD1 LEU A 19 -3.017 9.556 -2.603 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.579 10.007 -2.904 1.00 0.00 C ATOM 0 H LEU A 19 0.000 7.645 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.387 8.940 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.417 10.367 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.671 10.434 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.422 8.206 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.079 9.200 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.759 9.038 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.212 10.628 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.639 9.651 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.775 11.079 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.418 9.811 -2.510 1.00 0.00 H new ATOM 288 N VAL A 20 -2.615 6.519 0.777 1.00 0.00 N ATOM 289 CA VAL A 20 -3.765 5.582 0.636 1.00 0.00 C ATOM 290 C VAL A 20 -4.059 4.928 1.987 1.00 0.00 C ATOM 291 O VAL A 20 -3.295 5.047 2.924 1.00 0.00 O ATOM 292 CB VAL A 20 -3.418 4.499 -0.389 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.712 5.018 -1.798 1.00 0.00 C ATOM 294 CG2 VAL A 20 -1.933 4.148 -0.275 1.00 0.00 C ATOM 0 H VAL A 20 -1.857 6.189 1.375 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.643 6.133 0.300 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.018 3.610 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.465 4.248 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.769 5.270 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.111 5.907 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.684 3.377 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.333 5.037 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.722 3.779 0.729 1.00 0.00 H new ATOM 304 N LYS A 21 -5.162 4.239 2.097 1.00 0.00 N ATOM 305 CA LYS A 21 -5.504 3.580 3.388 1.00 0.00 C ATOM 306 C LYS A 21 -6.201 2.246 3.112 1.00 0.00 C ATOM 307 O LYS A 21 -6.574 1.950 1.994 1.00 0.00 O ATOM 308 CB LYS A 21 -6.438 4.487 4.192 1.00 0.00 C ATOM 309 CG LYS A 21 -5.944 4.577 5.638 1.00 0.00 C ATOM 310 CD LYS A 21 -5.332 5.958 5.884 1.00 0.00 C ATOM 311 CE LYS A 21 -4.808 6.037 7.319 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.232 7.389 7.563 1.00 0.00 N ATOM 0 H LYS A 21 -5.841 4.104 1.348 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.592 3.402 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.470 5.481 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.454 4.093 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.771 4.406 6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.204 3.800 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.520 6.138 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.079 6.734 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.616 5.842 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.049 5.272 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.875 7.444 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.450 7.558 6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.968 8.110 7.423 1.00 0.00 H new ATOM 326 N THR A 22 -6.378 1.439 4.121 1.00 0.00 N ATOM 327 CA THR A 22 -7.050 0.125 3.916 1.00 0.00 C ATOM 328 C THR A 22 -8.568 0.315 3.966 1.00 0.00 C ATOM 329 O THR A 22 -9.093 0.959 4.854 1.00 0.00 O ATOM 330 CB THR A 22 -6.621 -0.846 5.018 1.00 0.00 C ATOM 331 OG1 THR A 22 -7.114 -2.146 4.720 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.184 -0.380 6.361 1.00 0.00 C ATOM 0 H THR A 22 -6.086 1.633 5.079 1.00 0.00 H new ATOM 0 HA THR A 22 -6.766 -0.280 2.945 1.00 0.00 H new ATOM 0 HB THR A 22 -5.533 -0.873 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.839 -2.770 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.877 -1.073 7.144 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.804 0.616 6.589 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.272 -0.350 6.309 1.00 0.00 H new ATOM 340 N GLY A 23 -9.276 -0.240 3.021 1.00 0.00 N ATOM 341 CA GLY A 23 -10.759 -0.090 3.016 1.00 0.00 C ATOM 342 C GLY A 23 -11.141 1.230 2.344 1.00 0.00 C ATOM 343 O GLY A 23 -12.303 1.553 2.203 1.00 0.00 O ATOM 0 H GLY A 23 -8.892 -0.790 2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.217 -0.925 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.140 -0.113 4.037 1.00 0.00 H new ATOM 347 N ASP A 24 -10.171 1.999 1.926 1.00 0.00 N ATOM 348 CA ASP A 24 -10.483 3.296 1.262 1.00 0.00 C ATOM 349 C ASP A 24 -10.763 3.056 -0.223 1.00 0.00 C ATOM 350 O ASP A 24 -10.042 2.344 -0.893 1.00 0.00 O ATOM 351 CB ASP A 24 -9.291 4.244 1.409 1.00 0.00 C ATOM 352 CG ASP A 24 -9.240 4.782 2.841 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.693 4.082 3.732 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.748 5.883 3.022 1.00 0.00 O ATOM 0 H ASP A 24 -9.178 1.785 2.016 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.361 3.741 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.365 3.720 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.380 5.069 0.702 1.00 0.00 H new ATOM 359 N LEU A 25 -11.804 3.646 -0.742 1.00 0.00 N ATOM 360 CA LEU A 25 -12.129 3.451 -2.184 1.00 0.00 C ATOM 361 C LEU A 25 -11.514 4.588 -3.002 1.00 0.00 C ATOM 362 O LEU A 25 -11.867 5.739 -2.845 1.00 0.00 O ATOM 363 CB LEU A 25 -13.648 3.451 -2.371 1.00 0.00 C ATOM 364 CG LEU A 25 -14.056 2.259 -3.238 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.332 1.631 -2.676 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.311 2.736 -4.670 1.00 0.00 C ATOM 0 H LEU A 25 -12.444 4.254 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.723 2.498 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.144 3.396 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.967 4.382 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.256 1.518 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.622 0.782 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.152 1.292 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.133 2.371 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.602 1.888 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.111 3.477 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.402 3.184 -5.072 1.00 0.00 H new ATOM 378 N ILE A 26 -10.596 4.275 -3.875 1.00 0.00 N ATOM 379 CA ILE A 26 -9.959 5.335 -4.701 1.00 0.00 C ATOM 380 C ILE A 26 -10.757 5.510 -5.997 1.00 0.00 C ATOM 381 O ILE A 26 -11.825 4.953 -6.158 1.00 0.00 O ATOM 382 CB ILE A 26 -8.527 4.915 -5.030 1.00 0.00 C ATOM 383 CG1 ILE A 26 -7.934 4.149 -3.845 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.675 6.155 -5.309 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.436 3.937 -4.070 1.00 0.00 C ATOM 0 H ILE A 26 -10.260 3.328 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.946 6.278 -4.155 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.535 4.276 -5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.098 4.704 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.435 3.187 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.655 5.850 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.094 6.701 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.669 6.798 -4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.015 3.391 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.283 3.364 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.941 4.904 -4.160 1.00 0.00 H new ATOM 397 N GLU A 27 -10.247 6.276 -6.921 1.00 0.00 N ATOM 398 CA GLU A 27 -10.978 6.484 -8.202 1.00 0.00 C ATOM 399 C GLU A 27 -9.971 6.642 -9.343 1.00 0.00 C ATOM 400 O GLU A 27 -8.818 6.959 -9.126 1.00 0.00 O ATOM 401 CB GLU A 27 -11.837 7.746 -8.102 1.00 0.00 C ATOM 402 CG GLU A 27 -13.240 7.372 -7.619 1.00 0.00 C ATOM 403 CD GLU A 27 -13.793 8.495 -6.739 1.00 0.00 C ATOM 404 OE1 GLU A 27 -13.141 8.833 -5.764 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.860 8.997 -7.054 1.00 0.00 O ATOM 0 H GLU A 27 -9.356 6.767 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.619 5.624 -8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.381 8.456 -7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.894 8.238 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.898 7.207 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.206 6.439 -7.057 1.00 0.00 H new ATOM 412 N VAL A 28 -10.397 6.424 -10.557 1.00 0.00 N ATOM 413 CA VAL A 28 -9.463 6.563 -11.709 1.00 0.00 C ATOM 414 C VAL A 28 -9.175 8.045 -11.956 1.00 0.00 C ATOM 415 O VAL A 28 -9.786 8.674 -12.798 1.00 0.00 O ATOM 416 CB VAL A 28 -10.102 5.954 -12.958 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.422 6.666 -13.258 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.154 6.118 -14.148 1.00 0.00 C ATOM 0 H VAL A 28 -11.351 6.156 -10.800 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.531 6.044 -11.486 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.292 4.895 -12.787 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.876 6.231 -14.148 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.099 6.549 -12.412 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.233 7.726 -13.428 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.609 5.684 -15.038 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.963 7.178 -14.318 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.213 5.609 -13.937 1.00 0.00 H new ATOM 428 N GLU A 29 -8.246 8.607 -11.231 1.00 0.00 N ATOM 429 CA GLU A 29 -7.915 10.045 -11.422 1.00 0.00 C ATOM 430 C GLU A 29 -7.137 10.556 -10.208 1.00 0.00 C ATOM 431 O GLU A 29 -6.283 11.413 -10.320 1.00 0.00 O ATOM 432 CB GLU A 29 -9.204 10.854 -11.577 1.00 0.00 C ATOM 433 CG GLU A 29 -10.263 10.316 -10.611 1.00 0.00 C ATOM 434 CD GLU A 29 -11.036 11.485 -9.998 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.571 12.606 -10.121 1.00 0.00 O ATOM 436 OE2 GLU A 29 -12.080 11.239 -9.416 1.00 0.00 O ATOM 0 H GLU A 29 -7.701 8.129 -10.513 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.307 10.158 -12.319 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.012 11.907 -11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.566 10.789 -12.603 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.947 9.651 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.789 9.728 -9.825 1.00 0.00 H new ATOM 443 N GLN A 30 -7.425 10.036 -9.046 1.00 0.00 N ATOM 444 CA GLN A 30 -6.703 10.493 -7.825 1.00 0.00 C ATOM 445 C GLN A 30 -5.302 9.877 -7.799 1.00 0.00 C ATOM 446 O GLN A 30 -5.086 8.782 -8.282 1.00 0.00 O ATOM 447 CB GLN A 30 -7.476 10.053 -6.580 1.00 0.00 C ATOM 448 CG GLN A 30 -6.919 10.775 -5.352 1.00 0.00 C ATOM 449 CD GLN A 30 -7.797 10.467 -4.137 1.00 0.00 C ATOM 450 OE1 GLN A 30 -8.995 10.668 -4.173 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.248 9.986 -3.056 1.00 0.00 N ATOM 0 H GLN A 30 -8.129 9.315 -8.890 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.622 11.580 -7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.536 10.279 -6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.393 8.974 -6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.894 10.456 -5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.891 11.850 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.242 9.817 -3.026 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.824 9.778 -2.240 1.00 0.00 H new ATOM 460 N GLY A 31 -4.349 10.570 -7.240 1.00 0.00 N ATOM 461 CA GLY A 31 -2.964 10.023 -7.183 1.00 0.00 C ATOM 462 C GLY A 31 -2.963 8.711 -6.396 1.00 0.00 C ATOM 463 O GLY A 31 -3.996 8.218 -5.993 1.00 0.00 O ATOM 0 H GLY A 31 -4.469 11.492 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.587 9.854 -8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.297 10.743 -6.710 1.00 0.00 H new ATOM 467 N LEU A 32 -1.809 8.142 -6.177 1.00 0.00 N ATOM 468 CA LEU A 32 -1.744 6.861 -5.417 1.00 0.00 C ATOM 469 C LEU A 32 -0.433 6.801 -4.630 1.00 0.00 C ATOM 470 O LEU A 32 -0.423 6.860 -3.416 1.00 0.00 O ATOM 471 CB LEU A 32 -1.806 5.686 -6.394 1.00 0.00 C ATOM 472 CG LEU A 32 -2.205 4.416 -5.639 1.00 0.00 C ATOM 473 CD1 LEU A 32 -3.669 4.084 -5.934 1.00 0.00 C ATOM 474 CD2 LEU A 32 -1.319 3.254 -6.096 1.00 0.00 C ATOM 0 H LEU A 32 -0.910 8.508 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.585 6.805 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.527 5.894 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.838 5.547 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.077 4.575 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.952 3.179 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.302 4.911 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.797 3.925 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.601 2.348 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.449 3.097 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.275 3.489 -5.888 1.00 0.00 H new ATOM 486 N VAL A 33 0.674 6.683 -5.312 1.00 0.00 N ATOM 487 CA VAL A 33 1.982 6.619 -4.601 1.00 0.00 C ATOM 488 C VAL A 33 2.967 7.592 -5.251 1.00 0.00 C ATOM 489 O VAL A 33 2.696 8.162 -6.290 1.00 0.00 O ATOM 490 CB VAL A 33 2.540 5.197 -4.686 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.677 4.258 -3.840 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.519 4.731 -6.144 1.00 0.00 C ATOM 0 H VAL A 33 0.729 6.628 -6.329 1.00 0.00 H new ATOM 0 HA VAL A 33 1.839 6.892 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 33 3.564 5.185 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.075 3.245 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.688 4.590 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.653 4.269 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.916 3.718 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.494 4.743 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.132 5.400 -6.749 1.00 0.00 H new ATOM 502 N VAL A 34 4.108 7.790 -4.648 1.00 0.00 N ATOM 503 CA VAL A 34 5.108 8.727 -5.232 1.00 0.00 C ATOM 504 C VAL A 34 6.493 8.076 -5.203 1.00 0.00 C ATOM 505 O VAL A 34 7.214 8.175 -4.232 1.00 0.00 O ATOM 506 CB VAL A 34 5.134 10.020 -4.417 1.00 0.00 C ATOM 507 CG1 VAL A 34 6.260 10.922 -4.924 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.794 10.744 -4.567 1.00 0.00 C ATOM 0 H VAL A 34 4.390 7.343 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 34 4.835 8.955 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 34 5.304 9.783 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.278 11.844 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.215 10.407 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.091 11.159 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.812 11.666 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.624 10.980 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.991 10.102 -4.204 1.00 0.00 H new ATOM 518 N LEU A 35 6.870 7.414 -6.263 1.00 0.00 N ATOM 519 CA LEU A 35 8.208 6.760 -6.294 1.00 0.00 C ATOM 520 C LEU A 35 9.241 7.741 -6.852 1.00 0.00 C ATOM 521 O LEU A 35 8.930 8.592 -7.662 1.00 0.00 O ATOM 522 CB LEU A 35 8.149 5.519 -7.187 1.00 0.00 C ATOM 523 CG LEU A 35 7.019 4.602 -6.714 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.914 4.565 -7.771 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.566 3.190 -6.499 1.00 0.00 C ATOM 0 H LEU A 35 6.310 7.298 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 35 8.493 6.467 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.984 5.812 -8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.100 4.988 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 35 6.612 4.982 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.109 3.912 -7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.524 5.571 -7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.320 4.186 -8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.762 2.536 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.973 2.811 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.353 3.216 -5.745 1.00 0.00 H new ATOM 537 N GLU A 36 10.470 7.629 -6.427 1.00 0.00 N ATOM 538 CA GLU A 36 11.522 8.556 -6.934 1.00 0.00 C ATOM 539 C GLU A 36 12.560 7.763 -7.730 1.00 0.00 C ATOM 540 O GLU A 36 12.949 6.676 -7.350 1.00 0.00 O ATOM 541 CB GLU A 36 12.204 9.248 -5.752 1.00 0.00 C ATOM 542 CG GLU A 36 13.398 10.061 -6.256 1.00 0.00 C ATOM 543 CD GLU A 36 14.132 10.682 -5.067 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.622 11.643 -4.517 1.00 0.00 O ATOM 545 OE2 GLU A 36 15.194 10.185 -4.727 1.00 0.00 O ATOM 0 H GLU A 36 10.791 6.936 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 36 11.065 9.306 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.496 9.900 -5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.536 8.507 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.075 9.420 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.058 10.843 -6.936 1.00 0.00 H new ATOM 552 N SER A 37 13.012 8.297 -8.831 1.00 0.00 N ATOM 553 CA SER A 37 14.025 7.575 -9.649 1.00 0.00 C ATOM 554 C SER A 37 15.197 8.510 -9.953 1.00 0.00 C ATOM 555 O SER A 37 15.218 9.649 -9.533 1.00 0.00 O ATOM 556 CB SER A 37 13.387 7.115 -10.960 1.00 0.00 C ATOM 557 OG SER A 37 12.086 7.678 -11.072 1.00 0.00 O ATOM 0 H SER A 37 12.723 9.203 -9.199 1.00 0.00 H new ATOM 0 HA SER A 37 14.387 6.708 -9.096 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.003 7.422 -11.805 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.329 6.027 -10.987 1.00 0.00 H new ATOM 0 HG SER A 37 11.675 7.386 -11.912 1.00 0.00 H new ATOM 563 N ALA A 38 16.172 8.037 -10.679 1.00 0.00 N ATOM 564 CA ALA A 38 17.341 8.900 -11.009 1.00 0.00 C ATOM 565 C ALA A 38 16.908 9.995 -11.986 1.00 0.00 C ATOM 566 O ALA A 38 17.629 10.942 -12.231 1.00 0.00 O ATOM 567 CB ALA A 38 18.439 8.049 -11.651 1.00 0.00 C ATOM 0 H ALA A 38 16.210 7.091 -11.058 1.00 0.00 H new ATOM 0 HA ALA A 38 17.723 9.358 -10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.294 8.680 -11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.749 7.269 -10.955 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.057 7.591 -12.563 1.00 0.00 H new ATOM 573 N LYS A 39 15.736 9.874 -12.545 1.00 0.00 N ATOM 574 CA LYS A 39 15.258 10.909 -13.505 1.00 0.00 C ATOM 575 C LYS A 39 14.453 11.970 -12.752 1.00 0.00 C ATOM 576 O LYS A 39 14.681 13.155 -12.899 1.00 0.00 O ATOM 577 CB LYS A 39 14.369 10.251 -14.564 1.00 0.00 C ATOM 578 CG LYS A 39 15.199 9.260 -15.383 1.00 0.00 C ATOM 579 CD LYS A 39 15.056 9.582 -16.872 1.00 0.00 C ATOM 580 CE LYS A 39 16.382 10.126 -17.406 1.00 0.00 C ATOM 581 NZ LYS A 39 16.276 11.601 -17.587 1.00 0.00 N ATOM 0 H LYS A 39 15.088 9.104 -12.379 1.00 0.00 H new ATOM 0 HA LYS A 39 16.114 11.378 -13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.536 9.736 -14.086 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.941 11.011 -15.218 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.247 9.315 -15.087 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.866 8.241 -15.187 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.770 8.686 -17.423 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.263 10.315 -17.022 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.190 9.891 -16.713 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.628 9.649 -18.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.177 11.972 -17.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.516 11.814 -18.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.061 12.048 -16.673 1.00 0.00 H new ATOM 595 N ALA A 40 13.514 11.556 -11.948 1.00 0.00 N ATOM 596 CA ALA A 40 12.696 12.543 -11.187 1.00 0.00 C ATOM 597 C ALA A 40 11.576 11.811 -10.443 1.00 0.00 C ATOM 598 O ALA A 40 11.380 10.624 -10.610 1.00 0.00 O ATOM 599 CB ALA A 40 12.087 13.556 -12.157 1.00 0.00 C ATOM 0 H ALA A 40 13.277 10.577 -11.784 1.00 0.00 H new ATOM 0 HA ALA A 40 13.329 13.064 -10.469 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.489 14.278 -11.601 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.884 14.077 -12.687 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.453 13.036 -12.875 1.00 0.00 H new ATOM 605 N SER A 41 10.840 12.511 -9.623 1.00 0.00 N ATOM 606 CA SER A 41 9.735 11.855 -8.871 1.00 0.00 C ATOM 607 C SER A 41 8.500 11.746 -9.769 1.00 0.00 C ATOM 608 O SER A 41 8.068 12.713 -10.364 1.00 0.00 O ATOM 609 CB SER A 41 9.393 12.689 -7.635 1.00 0.00 C ATOM 610 OG SER A 41 10.571 13.332 -7.164 1.00 0.00 O ATOM 0 H SER A 41 10.957 13.508 -9.442 1.00 0.00 H new ATOM 0 HA SER A 41 10.049 10.858 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.633 13.431 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.976 12.052 -6.855 1.00 0.00 H new ATOM 0 HG SER A 41 10.356 13.869 -6.373 1.00 0.00 H new ATOM 616 N MET A 42 7.930 10.578 -9.871 1.00 0.00 N ATOM 617 CA MET A 42 6.724 10.409 -10.731 1.00 0.00 C ATOM 618 C MET A 42 5.605 9.757 -9.918 1.00 0.00 C ATOM 619 O MET A 42 5.637 8.576 -9.635 1.00 0.00 O ATOM 620 CB MET A 42 7.072 9.519 -11.927 1.00 0.00 C ATOM 621 CG MET A 42 8.026 10.266 -12.860 1.00 0.00 C ATOM 622 SD MET A 42 7.532 9.985 -14.578 1.00 0.00 S ATOM 623 CE MET A 42 8.149 11.548 -15.251 1.00 0.00 C ATOM 0 H MET A 42 8.247 9.733 -9.396 1.00 0.00 H new ATOM 0 HA MET A 42 6.392 11.384 -11.088 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.534 8.594 -11.583 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.165 9.242 -12.464 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.010 11.333 -12.636 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.048 9.922 -12.703 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.946 11.589 -16.321 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.650 12.380 -14.755 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.224 11.618 -15.083 1.00 0.00 H new ATOM 633 N GLU A 43 4.614 10.517 -9.539 1.00 0.00 N ATOM 634 CA GLU A 43 3.494 9.940 -8.745 1.00 0.00 C ATOM 635 C GLU A 43 2.527 9.212 -9.681 1.00 0.00 C ATOM 636 O GLU A 43 2.464 9.491 -10.861 1.00 0.00 O ATOM 637 CB GLU A 43 2.752 11.064 -8.019 1.00 0.00 C ATOM 638 CG GLU A 43 2.332 12.134 -9.028 1.00 0.00 C ATOM 639 CD GLU A 43 0.823 12.364 -8.932 1.00 0.00 C ATOM 640 OE1 GLU A 43 0.245 11.964 -7.934 1.00 0.00 O ATOM 641 OE2 GLU A 43 0.270 12.936 -9.857 1.00 0.00 O ATOM 0 H GLU A 43 4.532 11.513 -9.745 1.00 0.00 H new ATOM 0 HA GLU A 43 3.892 9.236 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.875 10.665 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.393 11.502 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.865 13.064 -8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.599 11.821 -10.037 1.00 0.00 H new ATOM 648 N VAL A 44 1.773 8.281 -9.164 1.00 0.00 N ATOM 649 CA VAL A 44 0.812 7.537 -10.026 1.00 0.00 C ATOM 650 C VAL A 44 -0.546 7.454 -9.320 1.00 0.00 C ATOM 651 O VAL A 44 -0.606 7.258 -8.121 1.00 0.00 O ATOM 652 CB VAL A 44 1.344 6.124 -10.274 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.409 5.387 -11.234 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.742 6.208 -10.891 1.00 0.00 C ATOM 0 H VAL A 44 1.781 8.004 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 44 0.696 8.056 -10.978 1.00 0.00 H new ATOM 0 HB VAL A 44 1.394 5.584 -9.329 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.788 4.380 -11.410 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.588 5.328 -10.797 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.359 5.927 -12.180 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.122 5.202 -11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.691 6.748 -11.836 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.410 6.733 -10.208 1.00 0.00 H new ATOM 664 N PRO A 45 -1.600 7.603 -10.083 1.00 0.00 N ATOM 665 CA PRO A 45 -2.974 7.549 -9.557 1.00 0.00 C ATOM 666 C PRO A 45 -3.402 6.097 -9.328 1.00 0.00 C ATOM 667 O PRO A 45 -2.597 5.188 -9.372 1.00 0.00 O ATOM 668 CB PRO A 45 -3.811 8.192 -10.666 1.00 0.00 C ATOM 669 CG PRO A 45 -2.985 8.057 -11.967 1.00 0.00 C ATOM 670 CD PRO A 45 -1.521 7.840 -11.539 1.00 0.00 C ATOM 0 HA PRO A 45 -3.084 8.055 -8.598 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.775 7.693 -10.764 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.015 9.239 -10.442 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.341 7.220 -12.567 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.080 8.952 -12.581 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.076 6.990 -12.057 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.906 8.710 -11.768 1.00 0.00 H new ATOM 678 N SER A 46 -4.663 5.876 -9.086 1.00 0.00 N ATOM 679 CA SER A 46 -5.144 4.485 -8.855 1.00 0.00 C ATOM 680 C SER A 46 -5.441 3.819 -10.206 1.00 0.00 C ATOM 681 O SER A 46 -6.131 4.386 -11.029 1.00 0.00 O ATOM 682 CB SER A 46 -6.422 4.522 -8.016 1.00 0.00 C ATOM 683 OG SER A 46 -7.093 3.274 -8.127 1.00 0.00 O ATOM 0 H SER A 46 -5.382 6.598 -9.038 1.00 0.00 H new ATOM 0 HA SER A 46 -4.378 3.917 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.180 4.726 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.071 5.329 -8.357 1.00 0.00 H new ATOM 0 HG SER A 46 -8.057 3.428 -8.216 1.00 0.00 H new ATOM 689 N PRO A 47 -4.910 2.635 -10.397 1.00 0.00 N ATOM 690 CA PRO A 47 -5.107 1.874 -11.643 1.00 0.00 C ATOM 691 C PRO A 47 -6.484 1.205 -11.651 1.00 0.00 C ATOM 692 O PRO A 47 -6.864 0.554 -12.603 1.00 0.00 O ATOM 693 CB PRO A 47 -3.992 0.825 -11.603 1.00 0.00 C ATOM 694 CG PRO A 47 -3.592 0.672 -10.116 1.00 0.00 C ATOM 695 CD PRO A 47 -4.070 1.946 -9.396 1.00 0.00 C ATOM 0 HA PRO A 47 -5.068 2.498 -12.536 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.337 -0.125 -12.012 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.139 1.141 -12.204 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.053 -0.215 -9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.513 0.552 -10.016 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.638 1.706 -8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.230 2.567 -9.086 1.00 0.00 H new ATOM 703 N LYS A 48 -7.232 1.362 -10.594 1.00 0.00 N ATOM 704 CA LYS A 48 -8.583 0.737 -10.537 1.00 0.00 C ATOM 705 C LYS A 48 -9.429 1.443 -9.475 1.00 0.00 C ATOM 706 O LYS A 48 -9.015 1.603 -8.345 1.00 0.00 O ATOM 707 CB LYS A 48 -8.446 -0.744 -10.179 1.00 0.00 C ATOM 708 CG LYS A 48 -8.789 -1.600 -11.400 1.00 0.00 C ATOM 709 CD LYS A 48 -9.916 -2.571 -11.043 1.00 0.00 C ATOM 710 CE LYS A 48 -11.204 -1.787 -10.783 1.00 0.00 C ATOM 711 NZ LYS A 48 -12.334 -2.431 -11.510 1.00 0.00 N ATOM 0 H LYS A 48 -6.966 1.896 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.068 0.832 -11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.430 -0.956 -9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.110 -0.991 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.093 -0.963 -12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.909 -2.153 -11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.068 -3.282 -11.855 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.645 -3.149 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.415 -1.758 -9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.087 -0.755 -11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.209 -1.898 -11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.132 -2.437 -12.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.450 -3.409 -11.175 1.00 0.00 H new ATOM 725 N ALA A 49 -10.612 1.866 -9.829 1.00 0.00 N ATOM 726 CA ALA A 49 -11.482 2.560 -8.838 1.00 0.00 C ATOM 727 C ALA A 49 -12.164 1.522 -7.944 1.00 0.00 C ATOM 728 O ALA A 49 -13.269 1.093 -8.207 1.00 0.00 O ATOM 729 CB ALA A 49 -12.545 3.377 -9.574 1.00 0.00 C ATOM 0 H ALA A 49 -11.013 1.761 -10.761 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.874 3.225 -8.225 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.181 3.884 -8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.059 4.117 -10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.153 2.713 -10.188 1.00 0.00 H new ATOM 735 N GLY A 50 -11.513 1.113 -6.889 1.00 0.00 N ATOM 736 CA GLY A 50 -12.125 0.103 -5.981 1.00 0.00 C ATOM 737 C GLY A 50 -11.683 0.375 -4.542 1.00 0.00 C ATOM 738 O GLY A 50 -11.156 1.424 -4.232 1.00 0.00 O ATOM 0 H GLY A 50 -10.584 1.435 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.212 0.145 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.824 -0.901 -6.281 1.00 0.00 H new ATOM 742 N VAL A 51 -11.894 -0.563 -3.659 1.00 0.00 N ATOM 743 CA VAL A 51 -11.486 -0.357 -2.241 1.00 0.00 C ATOM 744 C VAL A 51 -10.223 -1.169 -1.951 1.00 0.00 C ATOM 745 O VAL A 51 -10.081 -2.292 -2.388 1.00 0.00 O ATOM 746 CB VAL A 51 -12.613 -0.817 -1.314 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.965 -2.273 -1.623 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.154 -0.702 0.140 1.00 0.00 C ATOM 0 H VAL A 51 -12.331 -1.463 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.285 0.701 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.491 -0.190 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.768 -2.601 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.291 -2.356 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.088 -2.900 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.956 -1.029 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.276 -1.330 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.902 0.335 0.361 1.00 0.00 H new ATOM 758 N VAL A 52 -9.302 -0.608 -1.214 1.00 0.00 N ATOM 759 CA VAL A 52 -8.049 -1.348 -0.897 1.00 0.00 C ATOM 760 C VAL A 52 -8.397 -2.670 -0.210 1.00 0.00 C ATOM 761 O VAL A 52 -9.126 -2.702 0.762 1.00 0.00 O ATOM 762 CB VAL A 52 -7.179 -0.502 0.035 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.994 -1.336 0.524 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.661 0.722 -0.724 1.00 0.00 C ATOM 0 H VAL A 52 -9.364 0.330 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.504 -1.550 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.772 -0.177 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.374 -0.733 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.361 -2.209 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.401 -1.661 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.041 1.326 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.068 0.396 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.505 1.317 -1.074 1.00 0.00 H new ATOM 774 N LYS A 53 -7.882 -3.762 -0.705 1.00 0.00 N ATOM 775 CA LYS A 53 -8.184 -5.079 -0.078 1.00 0.00 C ATOM 776 C LYS A 53 -7.009 -5.506 0.803 1.00 0.00 C ATOM 777 O LYS A 53 -7.130 -6.385 1.632 1.00 0.00 O ATOM 778 CB LYS A 53 -8.406 -6.125 -1.173 1.00 0.00 C ATOM 779 CG LYS A 53 -8.690 -7.485 -0.531 1.00 0.00 C ATOM 780 CD LYS A 53 -9.924 -7.377 0.368 1.00 0.00 C ATOM 781 CE LYS A 53 -10.447 -8.779 0.687 1.00 0.00 C ATOM 782 NZ LYS A 53 -10.535 -9.574 -0.570 1.00 0.00 N ATOM 0 H LYS A 53 -7.265 -3.799 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.083 -4.994 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.241 -5.830 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.526 -6.190 -1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.854 -8.237 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.829 -7.811 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.671 -6.853 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.699 -6.792 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.784 -9.273 1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.428 -8.714 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.271 -10.301 -0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.775 -8.945 -1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.620 -10.031 -0.756 1.00 0.00 H new ATOM 796 N SER A 54 -5.872 -4.888 0.632 1.00 0.00 N ATOM 797 CA SER A 54 -4.690 -5.257 1.463 1.00 0.00 C ATOM 798 C SER A 54 -3.446 -4.552 0.921 1.00 0.00 C ATOM 799 O SER A 54 -3.299 -4.357 -0.269 1.00 0.00 O ATOM 800 CB SER A 54 -4.482 -6.771 1.406 1.00 0.00 C ATOM 801 OG SER A 54 -4.914 -7.350 2.631 1.00 0.00 O ATOM 0 H SER A 54 -5.710 -4.144 -0.047 1.00 0.00 H new ATOM 0 HA SER A 54 -4.861 -4.951 2.495 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.041 -7.196 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.430 -6.999 1.233 1.00 0.00 H new ATOM 0 HG SER A 54 -5.877 -7.204 2.740 1.00 0.00 H new ATOM 807 N VAL A 55 -2.548 -4.167 1.786 1.00 0.00 N ATOM 808 CA VAL A 55 -1.314 -3.473 1.320 1.00 0.00 C ATOM 809 C VAL A 55 -0.148 -4.465 1.299 1.00 0.00 C ATOM 810 O VAL A 55 -0.028 -5.313 2.161 1.00 0.00 O ATOM 811 CB VAL A 55 -0.986 -2.321 2.271 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.372 -1.722 1.899 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.066 -1.243 2.155 1.00 0.00 C ATOM 0 H VAL A 55 -2.615 -4.303 2.795 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.475 -3.080 0.316 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.950 -2.694 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.606 -0.901 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.142 -2.489 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.337 -1.349 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.834 -0.421 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.100 -0.871 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.034 -1.668 2.419 1.00 0.00 H new ATOM 823 N SER A 56 0.711 -4.366 0.322 1.00 0.00 N ATOM 824 CA SER A 56 1.866 -5.303 0.248 1.00 0.00 C ATOM 825 C SER A 56 3.171 -4.506 0.256 1.00 0.00 C ATOM 826 O SER A 56 4.230 -5.025 -0.039 1.00 0.00 O ATOM 827 CB SER A 56 1.776 -6.121 -1.041 1.00 0.00 C ATOM 828 OG SER A 56 0.660 -6.998 -0.964 1.00 0.00 O ATOM 0 H SER A 56 0.663 -3.676 -0.428 1.00 0.00 H new ATOM 0 HA SER A 56 1.845 -5.974 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.673 -5.458 -1.900 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.693 -6.692 -1.187 1.00 0.00 H new ATOM 0 HG SER A 56 0.599 -7.523 -1.790 1.00 0.00 H new ATOM 834 N VAL A 57 3.107 -3.246 0.592 1.00 0.00 N ATOM 835 CA VAL A 57 4.345 -2.418 0.618 1.00 0.00 C ATOM 836 C VAL A 57 4.227 -1.357 1.714 1.00 0.00 C ATOM 837 O VAL A 57 3.162 -1.123 2.252 1.00 0.00 O ATOM 838 CB VAL A 57 4.528 -1.731 -0.737 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.950 -2.765 -1.781 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.207 -1.087 -1.163 1.00 0.00 C ATOM 0 H VAL A 57 2.251 -2.755 0.849 1.00 0.00 H new ATOM 0 HA VAL A 57 5.204 -3.057 0.821 1.00 0.00 H new ATOM 0 HB VAL A 57 5.298 -0.964 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.080 -2.275 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.890 -3.225 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.181 -3.533 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.336 -0.597 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.438 -1.855 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.905 -0.350 -0.419 1.00 0.00 H new ATOM 850 N LYS A 58 5.311 -0.716 2.052 1.00 0.00 N ATOM 851 CA LYS A 58 5.260 0.328 3.114 1.00 0.00 C ATOM 852 C LYS A 58 5.835 1.637 2.570 1.00 0.00 C ATOM 853 O LYS A 58 6.392 1.681 1.491 1.00 0.00 O ATOM 854 CB LYS A 58 6.084 -0.130 4.319 1.00 0.00 C ATOM 855 CG LYS A 58 5.320 0.179 5.608 1.00 0.00 C ATOM 856 CD LYS A 58 6.200 -0.151 6.816 1.00 0.00 C ATOM 857 CE LYS A 58 6.213 1.038 7.778 1.00 0.00 C ATOM 858 NZ LYS A 58 6.842 0.627 9.065 1.00 0.00 N ATOM 0 H LYS A 58 6.231 -0.870 1.639 1.00 0.00 H new ATOM 0 HA LYS A 58 4.226 0.485 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.285 -1.199 4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.050 0.376 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.033 1.230 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.399 -0.403 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.822 -1.039 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.214 -0.379 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.766 1.869 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.196 1.389 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.852 1.435 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.297 -0.153 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.818 0.312 8.890 1.00 0.00 H new ATOM 872 N LEU A 59 5.707 2.705 3.310 1.00 0.00 N ATOM 873 CA LEU A 59 6.248 4.010 2.835 1.00 0.00 C ATOM 874 C LEU A 59 7.759 4.051 3.068 1.00 0.00 C ATOM 875 O LEU A 59 8.227 3.966 4.187 1.00 0.00 O ATOM 876 CB LEU A 59 5.581 5.150 3.607 1.00 0.00 C ATOM 877 CG LEU A 59 5.652 4.859 5.108 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.309 6.040 5.826 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.237 4.655 5.654 1.00 0.00 C ATOM 0 H LEU A 59 5.251 2.730 4.222 1.00 0.00 H new ATOM 0 HA LEU A 59 6.042 4.123 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.078 6.094 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.542 5.256 3.295 1.00 0.00 H new ATOM 0 HG LEU A 59 6.241 3.958 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.360 5.833 6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.316 6.188 5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.719 6.941 5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.286 4.448 6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.649 5.557 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.767 3.815 5.143 1.00 0.00 H new ATOM 891 N GLY A 60 8.527 4.181 2.021 1.00 0.00 N ATOM 892 CA GLY A 60 10.008 4.227 2.184 1.00 0.00 C ATOM 893 C GLY A 60 10.617 2.909 1.706 1.00 0.00 C ATOM 894 O GLY A 60 11.815 2.788 1.547 1.00 0.00 O ATOM 0 H GLY A 60 8.193 4.257 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.421 5.059 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.264 4.400 3.229 1.00 0.00 H new ATOM 898 N ASP A 61 9.801 1.918 1.472 1.00 0.00 N ATOM 899 CA ASP A 61 10.334 0.607 1.003 1.00 0.00 C ATOM 900 C ASP A 61 10.828 0.744 -0.439 1.00 0.00 C ATOM 901 O ASP A 61 10.331 1.548 -1.201 1.00 0.00 O ATOM 902 CB ASP A 61 9.226 -0.446 1.066 1.00 0.00 C ATOM 903 CG ASP A 61 9.171 -1.046 2.472 1.00 0.00 C ATOM 904 OD1 ASP A 61 10.129 -0.873 3.206 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.172 -1.669 2.790 1.00 0.00 O ATOM 0 H ASP A 61 8.788 1.959 1.585 1.00 0.00 H new ATOM 0 HA ASP A 61 11.162 0.301 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.266 0.005 0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.412 -1.230 0.332 1.00 0.00 H new ATOM 910 N LYS A 62 11.801 -0.037 -0.818 1.00 0.00 N ATOM 911 CA LYS A 62 12.326 0.048 -2.210 1.00 0.00 C ATOM 912 C LYS A 62 11.729 -1.083 -3.050 1.00 0.00 C ATOM 913 O LYS A 62 11.904 -2.248 -2.753 1.00 0.00 O ATOM 914 CB LYS A 62 13.850 -0.081 -2.190 1.00 0.00 C ATOM 915 CG LYS A 62 14.382 -0.080 -3.625 1.00 0.00 C ATOM 916 CD LYS A 62 15.667 -0.907 -3.694 1.00 0.00 C ATOM 917 CE LYS A 62 16.117 -1.032 -5.150 1.00 0.00 C ATOM 918 NZ LYS A 62 15.778 -2.392 -5.658 1.00 0.00 N ATOM 0 H LYS A 62 12.256 -0.731 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 62 12.049 1.009 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.288 0.744 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.141 -1.001 -1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.634 -0.494 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.577 0.942 -3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.449 -0.433 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.498 -1.896 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.629 -0.272 -5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.191 -0.860 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.083 -2.479 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.264 -3.109 -5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.750 -2.538 -5.599 1.00 0.00 H new ATOM 932 N LEU A 63 11.027 -0.749 -4.098 1.00 0.00 N ATOM 933 CA LEU A 63 10.421 -1.806 -4.956 1.00 0.00 C ATOM 934 C LEU A 63 10.746 -1.520 -6.423 1.00 0.00 C ATOM 935 O LEU A 63 10.793 -0.382 -6.847 1.00 0.00 O ATOM 936 CB LEU A 63 8.903 -1.812 -4.762 1.00 0.00 C ATOM 937 CG LEU A 63 8.555 -2.565 -3.476 1.00 0.00 C ATOM 938 CD1 LEU A 63 9.161 -3.969 -3.526 1.00 0.00 C ATOM 939 CD2 LEU A 63 9.124 -1.808 -2.274 1.00 0.00 C ATOM 0 H LEU A 63 10.847 0.209 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 63 10.827 -2.778 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.528 -0.790 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.419 -2.286 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 63 7.472 -2.640 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.913 -4.505 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.758 -4.509 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.244 -3.895 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.877 -2.343 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.207 -1.734 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.694 -0.807 -2.237 1.00 0.00 H new ATOM 951 N LYS A 64 10.970 -2.543 -7.202 1.00 0.00 N ATOM 952 CA LYS A 64 11.291 -2.327 -8.640 1.00 0.00 C ATOM 953 C LYS A 64 10.071 -2.683 -9.494 1.00 0.00 C ATOM 954 O LYS A 64 9.248 -3.488 -9.109 1.00 0.00 O ATOM 955 CB LYS A 64 12.470 -3.217 -9.039 1.00 0.00 C ATOM 956 CG LYS A 64 13.347 -2.479 -10.054 1.00 0.00 C ATOM 957 CD LYS A 64 13.531 -3.351 -11.298 1.00 0.00 C ATOM 958 CE LYS A 64 14.341 -4.596 -10.935 1.00 0.00 C ATOM 959 NZ LYS A 64 15.528 -4.696 -11.830 1.00 0.00 N ATOM 0 H LYS A 64 10.944 -3.518 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 64 11.555 -1.282 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.056 -3.478 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.106 -4.150 -9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.886 -1.530 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.316 -2.247 -9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.560 -3.641 -11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.042 -2.787 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.661 -4.544 -9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.722 -5.487 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.079 -5.543 -11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.213 -4.764 -12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.122 -3.851 -11.714 1.00 0.00 H new ATOM 973 N GLU A 65 9.950 -2.086 -10.649 1.00 0.00 N ATOM 974 CA GLU A 65 8.785 -2.385 -11.527 1.00 0.00 C ATOM 975 C GLU A 65 8.523 -3.893 -11.539 1.00 0.00 C ATOM 976 O GLU A 65 9.438 -4.692 -11.505 1.00 0.00 O ATOM 977 CB GLU A 65 9.084 -1.908 -12.950 1.00 0.00 C ATOM 978 CG GLU A 65 10.142 -2.816 -13.581 1.00 0.00 C ATOM 979 CD GLU A 65 11.010 -2.000 -14.538 1.00 0.00 C ATOM 980 OE1 GLU A 65 10.450 -1.254 -15.326 1.00 0.00 O ATOM 981 OE2 GLU A 65 12.221 -2.132 -14.469 1.00 0.00 O ATOM 0 H GLU A 65 10.609 -1.403 -11.022 1.00 0.00 H new ATOM 0 HA GLU A 65 7.904 -1.868 -11.147 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.173 -1.922 -13.549 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.438 -0.877 -12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.761 -3.265 -12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.661 -3.634 -14.117 1.00 0.00 H new ATOM 988 N GLY A 66 7.280 -4.288 -11.588 1.00 0.00 N ATOM 989 CA GLY A 66 6.961 -5.744 -11.604 1.00 0.00 C ATOM 990 C GLY A 66 6.633 -6.212 -10.185 1.00 0.00 C ATOM 991 O GLY A 66 6.037 -7.251 -9.986 1.00 0.00 O ATOM 0 H GLY A 66 6.472 -3.666 -11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.116 -5.934 -12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.807 -6.308 -11.998 1.00 0.00 H new ATOM 995 N ASP A 67 7.017 -5.452 -9.196 1.00 0.00 N ATOM 996 CA ASP A 67 6.727 -5.853 -7.791 1.00 0.00 C ATOM 997 C ASP A 67 5.322 -5.387 -7.406 1.00 0.00 C ATOM 998 O ASP A 67 4.964 -4.242 -7.596 1.00 0.00 O ATOM 999 CB ASP A 67 7.752 -5.211 -6.854 1.00 0.00 C ATOM 1000 CG ASP A 67 9.140 -5.781 -7.147 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.318 -6.331 -8.221 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.002 -5.658 -6.292 1.00 0.00 O ATOM 0 H ASP A 67 7.519 -4.570 -9.301 1.00 0.00 H new ATOM 0 HA ASP A 67 6.786 -6.938 -7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.756 -4.129 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.481 -5.402 -5.816 1.00 0.00 H new ATOM 1007 N ALA A 68 4.524 -6.266 -6.865 1.00 0.00 N ATOM 1008 CA ALA A 68 3.142 -5.874 -6.467 1.00 0.00 C ATOM 1009 C ALA A 68 3.193 -4.575 -5.661 1.00 0.00 C ATOM 1010 O ALA A 68 4.252 -4.062 -5.357 1.00 0.00 O ATOM 1011 CB ALA A 68 2.524 -6.982 -5.614 1.00 0.00 C ATOM 0 H ALA A 68 4.769 -7.239 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 68 2.535 -5.723 -7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.513 -6.696 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.488 -7.907 -6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.130 -7.134 -4.721 1.00 0.00 H new ATOM 1017 N ILE A 69 2.056 -4.038 -5.310 1.00 0.00 N ATOM 1018 CA ILE A 69 2.041 -2.773 -4.524 1.00 0.00 C ATOM 1019 C ILE A 69 0.837 -2.774 -3.579 1.00 0.00 C ATOM 1020 O ILE A 69 0.956 -2.483 -2.405 1.00 0.00 O ATOM 1021 CB ILE A 69 1.940 -1.581 -5.477 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.234 -1.466 -6.286 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.729 -0.298 -4.670 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.368 -0.994 -5.374 1.00 0.00 C ATOM 0 H ILE A 69 1.138 -4.421 -5.534 1.00 0.00 H new ATOM 0 HA ILE A 69 2.960 -2.696 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 69 1.098 -1.727 -6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.486 -2.430 -6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.099 -0.764 -7.109 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.657 0.551 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.809 -0.379 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.571 -0.151 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.289 -0.912 -5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.116 -0.020 -4.954 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.508 -1.712 -4.566 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.322 -3.100 -4.082 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.532 -3.121 -3.212 1.00 0.00 C ATOM 1038 C ILE A 70 -2.603 -4.008 -3.849 1.00 0.00 C ATOM 1039 O ILE A 70 -2.388 -4.614 -4.880 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.075 -1.698 -3.060 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -1.942 -0.958 -4.392 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.274 -0.959 -1.985 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.306 -0.398 -4.803 1.00 0.00 C ATOM 0 H ILE A 70 -0.483 -3.353 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.267 -3.517 -2.232 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.125 -1.738 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.218 -0.149 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.568 -1.635 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.660 0.055 -1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.366 -1.486 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.225 -0.918 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.212 0.129 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.018 -1.216 -4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.661 0.292 -4.038 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.756 -4.092 -3.243 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.838 -4.942 -3.815 1.00 0.00 C ATOM 1057 C GLU A 71 -6.120 -4.118 -3.944 1.00 0.00 C ATOM 1058 O GLU A 71 -6.270 -3.083 -3.327 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.090 -6.136 -2.891 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.755 -6.779 -2.510 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.981 -8.244 -2.134 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.974 -8.800 -2.573 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -3.158 -8.784 -1.413 1.00 0.00 O ATOM 0 H GLU A 71 -3.995 -3.609 -2.377 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.536 -5.301 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.618 -5.810 -1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.728 -6.866 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.056 -6.710 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.307 -6.243 -1.673 1.00 0.00 H new ATOM 1070 N LEU A 72 -7.047 -4.570 -4.743 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.319 -3.811 -4.912 1.00 0.00 C ATOM 1072 C LEU A 72 -9.483 -4.795 -5.054 1.00 0.00 C ATOM 1073 O LEU A 72 -9.396 -5.776 -5.765 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.231 -2.940 -6.167 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.504 -2.102 -6.296 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.141 -0.617 -6.295 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.210 -2.452 -7.608 1.00 0.00 C ATOM 0 H LEU A 72 -6.979 -5.431 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.483 -3.176 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.358 -2.289 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.104 -3.567 -7.050 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.166 -2.314 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.049 -0.021 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.635 -0.367 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.480 -0.403 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.118 -1.856 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.547 -2.239 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.469 -3.511 -7.611 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.572 -4.540 -4.382 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.740 -5.460 -4.478 1.00 0.00 C ATOM 1091 C GLU A 73 -12.911 -4.730 -5.143 1.00 0.00 C ATOM 1092 O GLU A 73 -13.713 -4.110 -4.473 1.00 0.00 O ATOM 1093 CB GLU A 73 -12.150 -5.910 -3.075 1.00 0.00 C ATOM 1094 CG GLU A 73 -13.207 -7.012 -3.179 1.00 0.00 C ATOM 1095 CD GLU A 73 -13.603 -7.473 -1.775 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -12.820 -7.268 -0.862 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -14.683 -8.023 -1.636 1.00 0.00 O ATOM 0 H GLU A 73 -10.703 -3.734 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.469 -6.331 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.280 -6.277 -2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.545 -5.065 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.083 -6.642 -3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.816 -7.852 -3.753 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.972 -4.829 -6.447 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.034 -4.188 -7.242 1.00 0.00 C ATOM 1106 C PRO A 74 -15.329 -5.001 -7.157 1.00 0.00 C ATOM 1107 O PRO A 74 -15.420 -6.098 -7.671 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.472 -4.203 -8.667 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.411 -5.328 -8.706 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.989 -5.587 -7.247 1.00 0.00 C ATOM 0 HA PRO A 74 -14.283 -3.184 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.262 -4.389 -9.394 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.027 -3.240 -8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.821 -6.232 -9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.554 -5.031 -9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.015 -6.650 -7.007 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.972 -5.243 -7.059 1.00 0.00 H new