USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 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 136:sc= 0.823 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=-0.00997 X(o=-0.01,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -144:sc= -0.119 (180deg=-0.875) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -174:sc= 0 (180deg=-0.0123) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00813 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 66:sc= 0.749 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 -10.509 -9.842 -7.716 1.00 0.00 N ATOM 2 CA SER A 1 -9.709 -8.611 -7.462 1.00 0.00 C ATOM 3 C SER A 1 -8.396 -8.683 -8.243 1.00 0.00 C ATOM 4 O SER A 1 -7.683 -9.664 -8.187 1.00 0.00 O ATOM 5 CB SER A 1 -9.407 -8.499 -5.966 1.00 0.00 C ATOM 6 OG SER A 1 -8.576 -9.585 -5.575 1.00 0.00 O ATOM 0 H1 SER A 1 -11.401 -9.792 -7.184 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.715 -9.918 -8.732 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.969 -10.676 -7.409 1.00 0.00 H new ATOM 0 HA SER A 1 -10.275 -7.738 -7.786 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.912 -7.551 -5.752 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.334 -8.510 -5.394 1.00 0.00 H new ATOM 0 HG SER A 1 -7.859 -9.256 -4.994 1.00 0.00 H new ATOM 14 N GLU A 2 -8.072 -7.651 -8.974 1.00 0.00 N ATOM 15 CA GLU A 2 -6.805 -7.662 -9.757 1.00 0.00 C ATOM 16 C GLU A 2 -5.690 -7.015 -8.934 1.00 0.00 C ATOM 17 O GLU A 2 -5.902 -6.034 -8.248 1.00 0.00 O ATOM 18 CB GLU A 2 -7.002 -6.879 -11.056 1.00 0.00 C ATOM 19 CG GLU A 2 -7.321 -7.849 -12.195 1.00 0.00 C ATOM 20 CD GLU A 2 -7.464 -7.072 -13.504 1.00 0.00 C ATOM 21 OE1 GLU A 2 -6.445 -6.728 -14.081 1.00 0.00 O ATOM 22 OE2 GLU A 2 -8.590 -6.833 -13.909 1.00 0.00 O ATOM 0 H GLU A 2 -8.630 -6.802 -9.062 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.532 -8.691 -9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.812 -6.159 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.102 -6.310 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.529 -8.592 -12.286 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.242 -8.390 -11.979 1.00 0.00 H new ATOM 29 N ILE A 3 -4.504 -7.554 -8.995 1.00 0.00 N ATOM 30 CA ILE A 3 -3.378 -6.969 -8.215 1.00 0.00 C ATOM 31 C ILE A 3 -2.813 -5.759 -8.962 1.00 0.00 C ATOM 32 O ILE A 3 -3.013 -5.603 -10.150 1.00 0.00 O ATOM 33 CB ILE A 3 -2.278 -8.019 -8.041 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.897 -9.330 -7.551 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.257 -7.524 -7.014 1.00 0.00 C ATOM 36 CD1 ILE A 3 -3.815 -9.049 -6.361 1.00 0.00 C ATOM 0 H ILE A 3 -4.266 -8.375 -9.552 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.740 -6.655 -7.236 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.781 -8.185 -8.997 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.462 -9.801 -8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.112 -10.029 -7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.474 -8.272 -6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.815 -6.590 -7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.754 -7.357 -6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.255 -9.983 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.237 -8.597 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.608 -8.366 -6.666 1.00 0.00 H new ATOM 48 N ILE A 4 -2.109 -4.902 -8.274 1.00 0.00 N ATOM 49 CA ILE A 4 -1.532 -3.704 -8.945 1.00 0.00 C ATOM 50 C ILE A 4 -0.015 -3.689 -8.743 1.00 0.00 C ATOM 51 O ILE A 4 0.482 -3.241 -7.728 1.00 0.00 O ATOM 52 CB ILE A 4 -2.141 -2.437 -8.339 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.634 -2.384 -8.668 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.446 -1.206 -8.924 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.293 -1.254 -7.875 1.00 0.00 C ATOM 0 H ILE A 4 -1.909 -4.980 -7.277 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.756 -3.740 -10.011 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.006 -2.450 -7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.776 -2.223 -9.737 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.105 -3.336 -8.424 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.880 -0.304 -8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.382 -1.244 -8.691 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.581 -1.192 -10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.357 -1.217 -8.110 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.163 -1.435 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.829 -0.304 -8.141 1.00 0.00 H new ATOM 67 N ARG A 5 0.724 -4.177 -9.701 1.00 0.00 N ATOM 68 CA ARG A 5 2.209 -4.193 -9.564 1.00 0.00 C ATOM 69 C ARG A 5 2.793 -2.917 -10.172 1.00 0.00 C ATOM 70 O ARG A 5 2.076 -2.061 -10.651 1.00 0.00 O ATOM 71 CB ARG A 5 2.775 -5.411 -10.296 1.00 0.00 C ATOM 72 CG ARG A 5 2.399 -5.335 -11.777 1.00 0.00 C ATOM 73 CD ARG A 5 1.524 -6.535 -12.145 1.00 0.00 C ATOM 74 NE ARG A 5 1.626 -6.794 -13.609 1.00 0.00 N ATOM 75 CZ ARG A 5 1.195 -7.922 -14.103 1.00 0.00 C ATOM 76 NH1 ARG A 5 1.461 -9.045 -13.494 1.00 0.00 N ATOM 77 NH2 ARG A 5 0.498 -7.926 -15.207 1.00 0.00 N ATOM 0 H ARG A 5 0.364 -4.565 -10.573 1.00 0.00 H new ATOM 0 HA ARG A 5 2.475 -4.246 -8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.859 -5.444 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.382 -6.328 -9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.865 -4.407 -11.980 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.299 -5.326 -12.391 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.842 -7.415 -11.586 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.487 -6.340 -11.871 1.00 0.00 H new ATOM 0 HE ARG A 5 2.033 -6.090 -14.225 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.006 -9.041 -12.632 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.124 -9.927 -13.880 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.291 -7.048 -15.683 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.161 -8.807 -15.594 1.00 0.00 H new ATOM 91 N VAL A 6 4.090 -2.785 -10.156 1.00 0.00 N ATOM 92 CA VAL A 6 4.722 -1.565 -10.733 1.00 0.00 C ATOM 93 C VAL A 6 4.588 -1.597 -12.261 1.00 0.00 C ATOM 94 O VAL A 6 4.689 -2.645 -12.865 1.00 0.00 O ATOM 95 CB VAL A 6 6.204 -1.535 -10.350 1.00 0.00 C ATOM 96 CG1 VAL A 6 6.907 -0.397 -11.093 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.334 -1.312 -8.841 1.00 0.00 C ATOM 0 H VAL A 6 4.740 -3.469 -9.768 1.00 0.00 H new ATOM 0 HA VAL A 6 4.227 -0.675 -10.344 1.00 0.00 H new ATOM 0 HB VAL A 6 6.666 -2.484 -10.623 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.961 -0.379 -10.817 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.815 -0.553 -12.168 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.446 0.553 -10.824 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.388 -1.290 -8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.869 -0.363 -8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.837 -2.123 -8.309 1.00 0.00 H new ATOM 107 N PRO A 7 4.365 -0.443 -12.839 1.00 0.00 N ATOM 108 CA PRO A 7 4.212 -0.305 -14.297 1.00 0.00 C ATOM 109 C PRO A 7 5.581 -0.344 -14.983 1.00 0.00 C ATOM 110 O PRO A 7 6.584 -0.651 -14.372 1.00 0.00 O ATOM 111 CB PRO A 7 3.557 1.070 -14.461 1.00 0.00 C ATOM 112 CG PRO A 7 3.886 1.866 -13.176 1.00 0.00 C ATOM 113 CD PRO A 7 4.243 0.829 -12.095 1.00 0.00 C ATOM 0 HA PRO A 7 3.625 -1.107 -14.745 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.942 1.581 -15.344 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.479 0.974 -14.593 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.717 2.550 -13.346 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.034 2.471 -12.866 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.174 1.085 -11.589 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.470 0.770 -11.329 1.00 0.00 H new ATOM 121 N ASP A 8 5.628 -0.035 -16.250 1.00 0.00 N ATOM 122 CA ASP A 8 6.930 -0.056 -16.974 1.00 0.00 C ATOM 123 C ASP A 8 7.649 1.278 -16.769 1.00 0.00 C ATOM 124 O ASP A 8 7.303 2.280 -17.363 1.00 0.00 O ATOM 125 CB ASP A 8 6.679 -0.276 -18.467 1.00 0.00 C ATOM 126 CG ASP A 8 8.018 -0.397 -19.197 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.748 0.580 -19.221 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.290 -1.465 -19.721 1.00 0.00 O ATOM 0 H ASP A 8 4.821 0.231 -16.815 1.00 0.00 H new ATOM 0 HA ASP A 8 7.549 -0.865 -16.586 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.087 -1.179 -18.618 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.103 0.554 -18.876 1.00 0.00 H new ATOM 133 N ILE A 9 8.650 1.300 -15.931 1.00 0.00 N ATOM 134 CA ILE A 9 9.392 2.572 -15.688 1.00 0.00 C ATOM 135 C ILE A 9 10.734 2.521 -16.419 1.00 0.00 C ATOM 136 O ILE A 9 11.165 3.488 -17.016 1.00 0.00 O ATOM 137 CB ILE A 9 9.641 2.769 -14.185 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.118 1.565 -13.391 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.919 4.033 -13.712 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.286 1.829 -11.893 1.00 0.00 C ATOM 0 H ILE A 9 8.986 0.494 -15.404 1.00 0.00 H new ATOM 0 HA ILE A 9 8.795 3.405 -16.059 1.00 0.00 H new ATOM 0 HB ILE A 9 10.714 2.865 -14.018 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.068 1.390 -13.625 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.662 0.664 -13.676 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.094 4.175 -12.646 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.299 4.895 -14.260 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.849 3.930 -13.893 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.914 0.974 -11.329 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.341 1.982 -11.667 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.722 2.720 -11.615 1.00 0.00 H new ATOM 152 N GLY A 10 11.401 1.399 -16.377 1.00 0.00 N ATOM 153 CA GLY A 10 12.716 1.287 -17.070 1.00 0.00 C ATOM 154 C GLY A 10 13.819 1.050 -16.039 1.00 0.00 C ATOM 155 O GLY A 10 14.885 0.559 -16.358 1.00 0.00 O ATOM 0 H GLY A 10 11.092 0.556 -15.893 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.692 0.467 -17.787 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.920 2.197 -17.634 1.00 0.00 H new ATOM 159 N GLY A 11 13.575 1.393 -14.804 1.00 0.00 N ATOM 160 CA GLY A 11 14.612 1.185 -13.753 1.00 0.00 C ATOM 161 C GLY A 11 13.938 0.783 -12.441 1.00 0.00 C ATOM 162 O GLY A 11 12.970 0.050 -12.429 1.00 0.00 O ATOM 0 H GLY A 11 12.703 1.808 -14.477 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.312 0.410 -14.066 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.190 2.098 -13.612 1.00 0.00 H new ATOM 166 N ASP A 12 14.443 1.258 -11.334 1.00 0.00 N ATOM 167 CA ASP A 12 13.831 0.902 -10.024 1.00 0.00 C ATOM 168 C ASP A 12 12.992 2.078 -9.518 1.00 0.00 C ATOM 169 O ASP A 12 13.093 3.183 -10.010 1.00 0.00 O ATOM 170 CB ASP A 12 14.936 0.592 -9.012 1.00 0.00 C ATOM 171 CG ASP A 12 15.911 -0.420 -9.617 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.757 -0.737 -10.785 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.797 -0.860 -8.901 1.00 0.00 O ATOM 0 H ASP A 12 15.252 1.877 -11.282 1.00 0.00 H new ATOM 0 HA ASP A 12 13.194 0.026 -10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.465 1.506 -8.743 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.503 0.193 -8.095 1.00 0.00 H new ATOM 178 N GLY A 13 12.164 1.848 -8.535 1.00 0.00 N ATOM 179 CA GLY A 13 11.320 2.952 -7.997 1.00 0.00 C ATOM 180 C GLY A 13 11.479 3.025 -6.478 1.00 0.00 C ATOM 181 O GLY A 13 11.989 2.116 -5.853 1.00 0.00 O ATOM 0 H GLY A 13 12.036 0.943 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.612 3.900 -8.449 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.275 2.784 -8.256 1.00 0.00 H new ATOM 185 N GLU A 14 11.049 4.101 -5.877 1.00 0.00 N ATOM 186 CA GLU A 14 11.177 4.231 -4.399 1.00 0.00 C ATOM 187 C GLU A 14 9.987 5.022 -3.851 1.00 0.00 C ATOM 188 O GLU A 14 9.752 6.152 -4.233 1.00 0.00 O ATOM 189 CB GLU A 14 12.477 4.965 -4.062 1.00 0.00 C ATOM 190 CG GLU A 14 13.279 4.145 -3.050 1.00 0.00 C ATOM 191 CD GLU A 14 14.753 4.547 -3.120 1.00 0.00 C ATOM 192 OE1 GLU A 14 15.411 4.146 -4.067 1.00 0.00 O ATOM 193 OE2 GLU A 14 15.199 5.248 -2.228 1.00 0.00 O ATOM 0 H GLU A 14 10.615 4.895 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 14 11.192 3.239 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.064 5.120 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.255 5.951 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.893 4.311 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.171 3.081 -3.261 1.00 0.00 H new ATOM 200 N VAL A 15 9.234 4.438 -2.959 1.00 0.00 N ATOM 201 CA VAL A 15 8.061 5.157 -2.390 1.00 0.00 C ATOM 202 C VAL A 15 8.549 6.290 -1.483 1.00 0.00 C ATOM 203 O VAL A 15 9.596 6.203 -0.874 1.00 0.00 O ATOM 204 CB VAL A 15 7.212 4.181 -1.573 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.908 4.863 -1.156 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.892 2.950 -2.424 1.00 0.00 C ATOM 0 H VAL A 15 9.381 3.494 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 15 7.461 5.571 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 15 7.764 3.877 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.303 4.167 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.134 5.741 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.356 5.167 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.287 2.254 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.340 3.256 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.820 2.463 -2.723 1.00 0.00 H new ATOM 216 N ILE A 16 7.797 7.353 -1.390 1.00 0.00 N ATOM 217 CA ILE A 16 8.217 8.489 -0.523 1.00 0.00 C ATOM 218 C ILE A 16 7.083 8.842 0.441 1.00 0.00 C ATOM 219 O ILE A 16 7.309 9.136 1.598 1.00 0.00 O ATOM 220 CB ILE A 16 8.542 9.703 -1.395 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.617 9.323 -2.417 1.00 0.00 C ATOM 222 CG2 ILE A 16 9.058 10.842 -0.515 1.00 0.00 C ATOM 223 CD1 ILE A 16 9.844 10.490 -3.378 1.00 0.00 C ATOM 0 H ILE A 16 6.910 7.483 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 16 9.102 8.203 0.046 1.00 0.00 H new ATOM 0 HB ILE A 16 7.641 10.027 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.547 9.073 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.309 8.436 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.289 11.706 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.294 11.113 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.959 10.519 0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.609 10.219 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.914 10.719 -3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.171 11.365 -2.817 1.00 0.00 H new ATOM 235 N GLU A 17 5.865 8.817 -0.027 1.00 0.00 N ATOM 236 CA GLU A 17 4.718 9.152 0.864 1.00 0.00 C ATOM 237 C GLU A 17 3.442 8.513 0.315 1.00 0.00 C ATOM 238 O GLU A 17 3.087 8.699 -0.833 1.00 0.00 O ATOM 239 CB GLU A 17 4.544 10.671 0.922 1.00 0.00 C ATOM 240 CG GLU A 17 4.958 11.181 2.304 1.00 0.00 C ATOM 241 CD GLU A 17 6.249 11.991 2.185 1.00 0.00 C ATOM 242 OE1 GLU A 17 7.309 11.398 2.297 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.157 13.190 1.985 1.00 0.00 O ATOM 0 H GLU A 17 5.615 8.579 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 17 4.913 8.770 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.150 11.147 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.506 10.937 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.166 11.799 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.105 10.342 2.984 1.00 0.00 H new ATOM 250 N LEU A 18 2.748 7.761 1.125 1.00 0.00 N ATOM 251 CA LEU A 18 1.494 7.111 0.648 1.00 0.00 C ATOM 252 C LEU A 18 0.286 7.887 1.176 1.00 0.00 C ATOM 253 O LEU A 18 0.278 8.356 2.296 1.00 0.00 O ATOM 254 CB LEU A 18 1.439 5.671 1.161 1.00 0.00 C ATOM 255 CG LEU A 18 1.422 4.706 -0.025 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.809 4.662 -0.668 1.00 0.00 C ATOM 257 CD2 LEU A 18 1.045 3.306 0.463 1.00 0.00 C ATOM 0 H LEU A 18 2.995 7.569 2.096 1.00 0.00 H new ATOM 0 HA LEU A 18 1.477 7.109 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.301 5.467 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.549 5.526 1.774 1.00 0.00 H new ATOM 0 HG LEU A 18 0.691 5.046 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.796 3.974 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.081 5.659 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.540 4.322 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.033 2.617 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.776 2.967 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.057 3.335 0.922 1.00 0.00 H new ATOM 269 N LEU A 19 -0.737 8.026 0.377 1.00 0.00 N ATOM 270 CA LEU A 19 -1.943 8.772 0.834 1.00 0.00 C ATOM 271 C LEU A 19 -3.199 7.964 0.503 1.00 0.00 C ATOM 272 O LEU A 19 -4.050 8.400 -0.246 1.00 0.00 O ATOM 273 CB LEU A 19 -2.006 10.126 0.124 1.00 0.00 C ATOM 274 CG LEU A 19 -1.907 9.914 -1.389 1.00 0.00 C ATOM 275 CD1 LEU A 19 -3.252 10.242 -2.039 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.827 10.834 -1.962 1.00 0.00 C ATOM 0 H LEU A 19 -0.789 7.655 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.885 8.929 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.938 10.635 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.193 10.766 0.466 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.648 8.875 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.182 10.091 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.023 9.588 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.511 11.281 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.755 10.684 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.087 11.872 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.132 10.602 -1.499 1.00 0.00 H new ATOM 288 N VAL A 20 -3.322 6.788 1.057 1.00 0.00 N ATOM 289 CA VAL A 20 -4.524 5.954 0.773 1.00 0.00 C ATOM 290 C VAL A 20 -4.983 5.266 2.060 1.00 0.00 C ATOM 291 O VAL A 20 -4.258 5.201 3.033 1.00 0.00 O ATOM 292 CB VAL A 20 -4.173 4.895 -0.274 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.085 5.549 -1.654 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.823 4.262 0.075 1.00 0.00 C ATOM 0 H VAL A 20 -2.643 6.370 1.693 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.326 6.588 0.394 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.946 4.126 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.835 4.794 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.045 6.002 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.313 6.318 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.572 3.507 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.052 5.032 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.883 3.795 1.058 1.00 0.00 H new ATOM 304 N LYS A 21 -6.183 4.753 2.074 1.00 0.00 N ATOM 305 CA LYS A 21 -6.687 4.070 3.299 1.00 0.00 C ATOM 306 C LYS A 21 -7.095 2.637 2.952 1.00 0.00 C ATOM 307 O LYS A 21 -7.383 2.321 1.815 1.00 0.00 O ATOM 308 CB LYS A 21 -7.900 4.828 3.842 1.00 0.00 C ATOM 309 CG LYS A 21 -7.470 6.227 4.289 1.00 0.00 C ATOM 310 CD LYS A 21 -6.729 6.133 5.624 1.00 0.00 C ATOM 311 CE LYS A 21 -7.078 7.344 6.489 1.00 0.00 C ATOM 312 NZ LYS A 21 -6.137 7.419 7.642 1.00 0.00 N ATOM 0 H LYS A 21 -6.836 4.777 1.291 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.902 4.051 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.670 4.901 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.336 4.285 4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.826 6.679 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.343 6.872 4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.004 5.213 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.653 6.093 5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.018 8.257 5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.104 7.264 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.374 8.243 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.216 6.552 8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.163 7.514 7.290 1.00 0.00 H new ATOM 326 N THR A 22 -7.122 1.767 3.924 1.00 0.00 N ATOM 327 CA THR A 22 -7.512 0.355 3.649 1.00 0.00 C ATOM 328 C THR A 22 -9.036 0.231 3.684 1.00 0.00 C ATOM 329 O THR A 22 -9.682 0.653 4.622 1.00 0.00 O ATOM 330 CB THR A 22 -6.901 -0.559 4.715 1.00 0.00 C ATOM 331 OG1 THR A 22 -7.150 -1.915 4.372 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.527 -0.250 6.075 1.00 0.00 C ATOM 0 H THR A 22 -6.891 1.972 4.896 1.00 0.00 H new ATOM 0 HA THR A 22 -7.146 0.062 2.665 1.00 0.00 H new ATOM 0 HB THR A 22 -5.826 -0.389 4.767 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.758 -2.502 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.091 -0.901 6.833 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.334 0.790 6.336 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.603 -0.419 6.027 1.00 0.00 H new ATOM 340 N GLY A 23 -9.617 -0.346 2.668 1.00 0.00 N ATOM 341 CA GLY A 23 -11.099 -0.496 2.643 1.00 0.00 C ATOM 342 C GLY A 23 -11.733 0.761 2.046 1.00 0.00 C ATOM 343 O GLY A 23 -12.916 0.802 1.774 1.00 0.00 O ATOM 0 H GLY A 23 -9.129 -0.720 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.376 -1.370 2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.475 -0.660 3.653 1.00 0.00 H new ATOM 347 N ASP A 24 -10.955 1.789 1.840 1.00 0.00 N ATOM 348 CA ASP A 24 -11.515 3.042 1.260 1.00 0.00 C ATOM 349 C ASP A 24 -11.567 2.922 -0.264 1.00 0.00 C ATOM 350 O ASP A 24 -10.642 2.445 -0.891 1.00 0.00 O ATOM 351 CB ASP A 24 -10.625 4.225 1.647 1.00 0.00 C ATOM 352 CG ASP A 24 -11.088 4.797 2.988 1.00 0.00 C ATOM 353 OD1 ASP A 24 -12.027 5.577 2.983 1.00 0.00 O ATOM 354 OD2 ASP A 24 -10.498 4.445 3.995 1.00 0.00 O ATOM 0 H ASP A 24 -9.957 1.815 2.048 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.522 3.201 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.586 3.904 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.670 4.995 0.877 1.00 0.00 H new ATOM 359 N LEU A 25 -12.645 3.348 -0.865 1.00 0.00 N ATOM 360 CA LEU A 25 -12.755 3.257 -2.349 1.00 0.00 C ATOM 361 C LEU A 25 -12.119 4.495 -2.985 1.00 0.00 C ATOM 362 O LEU A 25 -12.454 5.615 -2.656 1.00 0.00 O ATOM 363 CB LEU A 25 -14.231 3.180 -2.746 1.00 0.00 C ATOM 364 CG LEU A 25 -14.506 1.841 -3.431 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.849 1.288 -2.951 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.552 2.043 -4.947 1.00 0.00 C ATOM 0 H LEU A 25 -13.453 3.754 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.237 2.364 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.862 3.285 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.481 4.002 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.712 1.137 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.045 0.333 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.818 1.143 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.643 1.993 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.748 1.088 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.345 2.748 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.596 2.437 -5.291 1.00 0.00 H new ATOM 378 N ILE A 26 -11.204 4.301 -3.895 1.00 0.00 N ATOM 379 CA ILE A 26 -10.547 5.462 -4.551 1.00 0.00 C ATOM 380 C ILE A 26 -11.340 5.848 -5.803 1.00 0.00 C ATOM 381 O ILE A 26 -12.420 5.345 -6.044 1.00 0.00 O ATOM 382 CB ILE A 26 -9.123 5.070 -4.945 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.546 4.122 -3.890 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.247 6.321 -5.034 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.057 3.901 -4.162 1.00 0.00 C ATOM 0 H ILE A 26 -10.884 3.386 -4.212 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.517 6.310 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.143 4.573 -5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.686 4.541 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.076 3.170 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.233 6.036 -5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.655 6.998 -5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.228 6.821 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.646 3.226 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.929 3.463 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.533 4.856 -4.117 1.00 0.00 H new ATOM 397 N GLU A 27 -10.815 6.736 -6.601 1.00 0.00 N ATOM 398 CA GLU A 27 -11.542 7.151 -7.834 1.00 0.00 C ATOM 399 C GLU A 27 -10.556 7.245 -9.000 1.00 0.00 C ATOM 400 O GLU A 27 -9.369 7.426 -8.809 1.00 0.00 O ATOM 401 CB GLU A 27 -12.194 8.516 -7.607 1.00 0.00 C ATOM 402 CG GLU A 27 -13.552 8.328 -6.928 1.00 0.00 C ATOM 403 CD GLU A 27 -13.849 9.534 -6.035 1.00 0.00 C ATOM 404 OE1 GLU A 27 -13.371 9.547 -4.913 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.550 10.424 -6.489 1.00 0.00 O ATOM 0 H GLU A 27 -9.915 7.192 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.312 6.415 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.549 9.140 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.320 9.033 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.334 8.218 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.550 7.414 -6.334 1.00 0.00 H new ATOM 412 N VAL A 28 -11.036 7.122 -10.207 1.00 0.00 N ATOM 413 CA VAL A 28 -10.125 7.205 -11.383 1.00 0.00 C ATOM 414 C VAL A 28 -9.805 8.672 -11.679 1.00 0.00 C ATOM 415 O VAL A 28 -10.405 9.286 -12.540 1.00 0.00 O ATOM 416 CB VAL A 28 -10.805 6.576 -12.601 1.00 0.00 C ATOM 417 CG1 VAL A 28 -12.092 7.337 -12.917 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.862 6.648 -13.804 1.00 0.00 C ATOM 0 H VAL A 28 -12.019 6.968 -10.430 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.202 6.669 -11.165 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.043 5.534 -12.386 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.576 6.889 -13.785 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.764 7.287 -12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.855 8.379 -13.132 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.345 6.200 -14.672 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.624 7.690 -14.018 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.944 6.105 -13.580 1.00 0.00 H new ATOM 428 N GLU A 29 -8.863 9.236 -10.973 1.00 0.00 N ATOM 429 CA GLU A 29 -8.501 10.660 -11.211 1.00 0.00 C ATOM 430 C GLU A 29 -7.710 11.191 -10.014 1.00 0.00 C ATOM 431 O GLU A 29 -6.801 11.985 -10.160 1.00 0.00 O ATOM 432 CB GLU A 29 -9.773 11.492 -11.391 1.00 0.00 C ATOM 433 CG GLU A 29 -10.837 11.018 -10.399 1.00 0.00 C ATOM 434 CD GLU A 29 -11.375 12.217 -9.615 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.596 12.836 -8.909 1.00 0.00 O ATOM 436 OE2 GLU A 29 -12.557 12.496 -9.734 1.00 0.00 O ATOM 0 H GLU A 29 -8.328 8.770 -10.240 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.892 10.732 -12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.555 12.548 -11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.143 11.394 -12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.650 10.523 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.410 10.285 -9.715 1.00 0.00 H new ATOM 443 N GLN A 30 -8.049 10.759 -8.830 1.00 0.00 N ATOM 444 CA GLN A 30 -7.317 11.240 -7.624 1.00 0.00 C ATOM 445 C GLN A 30 -5.915 10.627 -7.601 1.00 0.00 C ATOM 446 O GLN A 30 -5.687 9.554 -8.122 1.00 0.00 O ATOM 447 CB GLN A 30 -8.078 10.818 -6.364 1.00 0.00 C ATOM 448 CG GLN A 30 -7.888 11.876 -5.276 1.00 0.00 C ATOM 449 CD GLN A 30 -8.016 11.220 -3.899 1.00 0.00 C ATOM 450 OE1 GLN A 30 -8.985 11.436 -3.198 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.073 10.422 -3.480 1.00 0.00 N ATOM 0 H GLN A 30 -8.800 10.094 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.239 12.327 -7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.138 10.699 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.716 9.852 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.910 12.346 -5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.633 12.664 -5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.260 10.241 -4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.149 9.979 -2.564 1.00 0.00 H new ATOM 460 N GLY A 31 -4.973 11.302 -7.002 1.00 0.00 N ATOM 461 CA GLY A 31 -3.586 10.757 -6.948 1.00 0.00 C ATOM 462 C GLY A 31 -3.597 9.401 -6.237 1.00 0.00 C ATOM 463 O GLY A 31 -4.639 8.830 -5.986 1.00 0.00 O ATOM 0 H GLY A 31 -5.103 12.206 -6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.188 10.647 -7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.932 11.451 -6.420 1.00 0.00 H new ATOM 467 N LEU A 32 -2.445 8.881 -5.912 1.00 0.00 N ATOM 468 CA LEU A 32 -2.392 7.563 -5.219 1.00 0.00 C ATOM 469 C LEU A 32 -1.114 7.477 -4.384 1.00 0.00 C ATOM 470 O LEU A 32 -1.151 7.501 -3.170 1.00 0.00 O ATOM 471 CB LEU A 32 -2.399 6.440 -6.257 1.00 0.00 C ATOM 472 CG LEU A 32 -3.037 5.189 -5.652 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.541 5.412 -5.488 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.799 3.996 -6.581 1.00 0.00 C ATOM 0 H LEU A 32 -1.539 9.312 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.260 7.461 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.954 6.752 -7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.381 6.222 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.590 4.988 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.996 4.520 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.713 6.262 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.987 5.612 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.253 3.104 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.246 4.198 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.727 3.836 -6.700 1.00 0.00 H new ATOM 486 N VAL A 33 0.019 7.377 -5.023 1.00 0.00 N ATOM 487 CA VAL A 33 1.298 7.287 -4.263 1.00 0.00 C ATOM 488 C VAL A 33 2.328 8.236 -4.880 1.00 0.00 C ATOM 489 O VAL A 33 2.095 8.834 -5.912 1.00 0.00 O ATOM 490 CB VAL A 33 1.827 5.854 -4.320 1.00 0.00 C ATOM 491 CG1 VAL A 33 0.752 4.893 -3.809 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.179 5.499 -5.766 1.00 0.00 C ATOM 0 H VAL A 33 0.115 7.354 -6.038 1.00 0.00 H new ATOM 0 HA VAL A 33 1.122 7.568 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 33 2.717 5.770 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.129 3.871 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.498 5.146 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.137 4.977 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.556 4.477 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.288 5.583 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.944 6.184 -6.133 1.00 0.00 H new ATOM 502 N VAL A 34 3.465 8.378 -4.258 1.00 0.00 N ATOM 503 CA VAL A 34 4.509 9.288 -4.810 1.00 0.00 C ATOM 504 C VAL A 34 5.865 8.580 -4.784 1.00 0.00 C ATOM 505 O VAL A 34 6.502 8.477 -3.754 1.00 0.00 O ATOM 506 CB VAL A 34 4.579 10.558 -3.961 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.713 11.449 -4.468 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.252 11.313 -4.066 1.00 0.00 C ATOM 0 H VAL A 34 3.717 7.903 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 34 4.256 9.552 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 34 4.765 10.290 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.763 12.354 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.658 10.911 -4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.527 11.718 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.300 12.219 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.067 11.581 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.443 10.678 -3.705 1.00 0.00 H new ATOM 518 N LEU A 35 6.312 8.094 -5.909 1.00 0.00 N ATOM 519 CA LEU A 35 7.627 7.395 -5.947 1.00 0.00 C ATOM 520 C LEU A 35 8.645 8.261 -6.691 1.00 0.00 C ATOM 521 O LEU A 35 8.301 9.254 -7.301 1.00 0.00 O ATOM 522 CB LEU A 35 7.472 6.055 -6.670 1.00 0.00 C ATOM 523 CG LEU A 35 6.118 5.439 -6.319 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.161 5.601 -7.501 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.300 3.952 -6.011 1.00 0.00 C ATOM 0 H LEU A 35 5.824 8.151 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 35 7.974 7.221 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.549 6.200 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.277 5.379 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 35 5.705 5.944 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.196 5.162 -7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.031 6.661 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.573 5.096 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.335 3.512 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.713 3.447 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.982 3.836 -5.168 1.00 0.00 H new ATOM 537 N GLU A 36 9.896 7.894 -6.647 1.00 0.00 N ATOM 538 CA GLU A 36 10.934 8.697 -7.353 1.00 0.00 C ATOM 539 C GLU A 36 11.525 7.873 -8.498 1.00 0.00 C ATOM 540 O GLU A 36 11.802 6.698 -8.352 1.00 0.00 O ATOM 541 CB GLU A 36 12.044 9.073 -6.369 1.00 0.00 C ATOM 542 CG GLU A 36 12.372 10.561 -6.513 1.00 0.00 C ATOM 543 CD GLU A 36 13.870 10.731 -6.774 1.00 0.00 C ATOM 544 OE1 GLU A 36 14.477 9.791 -7.260 1.00 0.00 O ATOM 545 OE2 GLU A 36 14.384 11.798 -6.482 1.00 0.00 O ATOM 0 H GLU A 36 10.244 7.073 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 36 10.481 9.604 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.728 8.856 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.934 8.473 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.798 10.993 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.087 11.096 -5.607 1.00 0.00 H new ATOM 552 N SER A 37 11.721 8.477 -9.637 1.00 0.00 N ATOM 553 CA SER A 37 12.294 7.727 -10.790 1.00 0.00 C ATOM 554 C SER A 37 13.789 8.030 -10.904 1.00 0.00 C ATOM 555 O SER A 37 14.330 8.824 -10.159 1.00 0.00 O ATOM 556 CB SER A 37 11.589 8.156 -12.078 1.00 0.00 C ATOM 557 OG SER A 37 10.648 7.159 -12.452 1.00 0.00 O ATOM 0 H SER A 37 11.509 9.458 -9.819 1.00 0.00 H new ATOM 0 HA SER A 37 12.150 6.658 -10.635 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.085 9.111 -11.930 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.319 8.301 -12.875 1.00 0.00 H new ATOM 0 HG SER A 37 10.193 7.431 -13.276 1.00 0.00 H new ATOM 563 N ALA A 38 14.462 7.403 -11.829 1.00 0.00 N ATOM 564 CA ALA A 38 15.922 7.655 -11.988 1.00 0.00 C ATOM 565 C ALA A 38 16.186 9.162 -11.941 1.00 0.00 C ATOM 566 O ALA A 38 17.091 9.622 -11.272 1.00 0.00 O ATOM 567 CB ALA A 38 16.393 7.097 -13.332 1.00 0.00 C ATOM 0 H ALA A 38 14.064 6.727 -12.481 1.00 0.00 H new ATOM 0 HA ALA A 38 16.466 7.164 -11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.461 7.281 -13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.204 6.024 -13.367 1.00 0.00 H new ATOM 0 HB3 ALA A 38 15.850 7.587 -14.140 1.00 0.00 H new ATOM 573 N LYS A 39 15.405 9.934 -12.645 1.00 0.00 N ATOM 574 CA LYS A 39 15.612 11.409 -12.639 1.00 0.00 C ATOM 575 C LYS A 39 14.282 12.112 -12.913 1.00 0.00 C ATOM 576 O LYS A 39 14.096 12.732 -13.942 1.00 0.00 O ATOM 577 CB LYS A 39 16.621 11.787 -13.724 1.00 0.00 C ATOM 578 CG LYS A 39 17.835 12.461 -13.082 1.00 0.00 C ATOM 579 CD LYS A 39 18.761 12.996 -14.176 1.00 0.00 C ATOM 580 CE LYS A 39 20.177 12.461 -13.953 1.00 0.00 C ATOM 581 NZ LYS A 39 20.627 12.806 -12.575 1.00 0.00 N ATOM 0 H LYS A 39 14.632 9.607 -13.224 1.00 0.00 H new ATOM 0 HA LYS A 39 15.992 11.718 -11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.933 10.897 -14.271 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.159 12.459 -14.447 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.511 13.276 -12.434 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.370 11.748 -12.454 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.396 12.692 -15.157 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.766 14.086 -14.162 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.195 11.380 -14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.859 12.889 -14.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.644 13.024 -12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.099 13.635 -12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.452 12.000 -11.941 1.00 0.00 H new ATOM 595 N ALA A 40 13.352 12.021 -12.000 1.00 0.00 N ATOM 596 CA ALA A 40 12.035 12.685 -12.210 1.00 0.00 C ATOM 597 C ALA A 40 11.037 12.181 -11.165 1.00 0.00 C ATOM 598 O ALA A 40 10.462 11.119 -11.304 1.00 0.00 O ATOM 599 CB ALA A 40 11.516 12.357 -13.612 1.00 0.00 C ATOM 0 H ALA A 40 13.448 11.516 -11.119 1.00 0.00 H new ATOM 0 HA ALA A 40 12.152 13.764 -12.109 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.552 12.843 -13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.227 12.716 -14.356 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.399 11.278 -13.713 1.00 0.00 H new ATOM 605 N SER A 41 10.826 12.934 -10.121 1.00 0.00 N ATOM 606 CA SER A 41 9.864 12.497 -9.070 1.00 0.00 C ATOM 607 C SER A 41 8.436 12.799 -9.529 1.00 0.00 C ATOM 608 O SER A 41 8.114 13.913 -9.893 1.00 0.00 O ATOM 609 CB SER A 41 10.152 13.251 -7.771 1.00 0.00 C ATOM 610 OG SER A 41 8.975 13.281 -6.975 1.00 0.00 O ATOM 0 H SER A 41 11.278 13.832 -9.950 1.00 0.00 H new ATOM 0 HA SER A 41 9.972 11.426 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.961 12.764 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.482 14.266 -7.992 1.00 0.00 H new ATOM 0 HG SER A 41 9.156 13.762 -6.141 1.00 0.00 H new ATOM 616 N MET A 42 7.579 11.816 -9.517 1.00 0.00 N ATOM 617 CA MET A 42 6.173 12.049 -9.954 1.00 0.00 C ATOM 618 C MET A 42 5.233 11.147 -9.153 1.00 0.00 C ATOM 619 O MET A 42 5.641 10.149 -8.592 1.00 0.00 O ATOM 620 CB MET A 42 6.043 11.724 -11.444 1.00 0.00 C ATOM 621 CG MET A 42 6.714 10.381 -11.735 1.00 0.00 C ATOM 622 SD MET A 42 5.506 9.248 -12.465 1.00 0.00 S ATOM 623 CE MET A 42 5.706 7.904 -11.270 1.00 0.00 C ATOM 0 H MET A 42 7.791 10.862 -9.224 1.00 0.00 H new ATOM 0 HA MET A 42 5.908 13.092 -9.784 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.991 11.686 -11.728 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.506 12.510 -12.040 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.554 10.522 -12.415 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.117 9.957 -10.815 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.122 7.042 -11.591 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.758 7.627 -11.207 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.359 8.233 -10.291 1.00 0.00 H new ATOM 633 N GLU A 43 3.975 11.489 -9.095 1.00 0.00 N ATOM 634 CA GLU A 43 3.008 10.652 -8.330 1.00 0.00 C ATOM 635 C GLU A 43 2.074 9.935 -9.306 1.00 0.00 C ATOM 636 O GLU A 43 2.048 10.229 -10.485 1.00 0.00 O ATOM 637 CB GLU A 43 2.186 11.545 -7.398 1.00 0.00 C ATOM 638 CG GLU A 43 1.212 12.386 -8.224 1.00 0.00 C ATOM 639 CD GLU A 43 1.027 13.753 -7.562 1.00 0.00 C ATOM 640 OE1 GLU A 43 0.654 13.780 -6.402 1.00 0.00 O ATOM 641 OE2 GLU A 43 1.264 14.747 -8.228 1.00 0.00 O ATOM 0 H GLU A 43 3.575 12.312 -9.545 1.00 0.00 H new ATOM 0 HA GLU A 43 3.552 9.915 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.638 10.933 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.847 12.194 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.592 12.510 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.252 11.876 -8.303 1.00 0.00 H new ATOM 648 N VAL A 44 1.304 8.997 -8.826 1.00 0.00 N ATOM 649 CA VAL A 44 0.373 8.264 -9.729 1.00 0.00 C ATOM 650 C VAL A 44 -1.018 8.203 -9.086 1.00 0.00 C ATOM 651 O VAL A 44 -1.135 7.994 -7.895 1.00 0.00 O ATOM 652 CB VAL A 44 0.894 6.844 -9.952 1.00 0.00 C ATOM 653 CG1 VAL A 44 -0.100 6.064 -10.814 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.247 6.904 -10.664 1.00 0.00 C ATOM 0 H VAL A 44 1.280 8.707 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 44 0.309 8.782 -10.686 1.00 0.00 H new ATOM 0 HB VAL A 44 1.010 6.345 -8.990 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.272 5.052 -10.973 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.065 6.021 -10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.217 6.563 -11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.619 5.892 -10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.130 7.403 -11.626 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.957 7.459 -10.051 1.00 0.00 H new ATOM 664 N PRO A 45 -2.032 8.387 -9.896 1.00 0.00 N ATOM 665 CA PRO A 45 -3.431 8.359 -9.434 1.00 0.00 C ATOM 666 C PRO A 45 -3.905 6.914 -9.258 1.00 0.00 C ATOM 667 O PRO A 45 -3.123 5.985 -9.281 1.00 0.00 O ATOM 668 CB PRO A 45 -4.196 9.046 -10.567 1.00 0.00 C ATOM 669 CG PRO A 45 -3.315 8.914 -11.832 1.00 0.00 C ATOM 670 CD PRO A 45 -1.880 8.642 -11.344 1.00 0.00 C ATOM 0 HA PRO A 45 -3.574 8.847 -8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.168 8.577 -10.720 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.382 10.094 -10.331 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.669 8.102 -12.467 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.355 9.825 -12.429 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.441 7.785 -11.855 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.227 9.494 -11.532 1.00 0.00 H new ATOM 678 N SER A 46 -5.182 6.722 -9.083 1.00 0.00 N ATOM 679 CA SER A 46 -5.714 5.341 -8.906 1.00 0.00 C ATOM 680 C SER A 46 -5.961 4.710 -10.284 1.00 0.00 C ATOM 681 O SER A 46 -6.821 5.156 -11.015 1.00 0.00 O ATOM 682 CB SER A 46 -7.033 5.402 -8.136 1.00 0.00 C ATOM 683 OG SER A 46 -7.886 4.355 -8.581 1.00 0.00 O ATOM 0 H SER A 46 -5.882 7.463 -9.055 1.00 0.00 H new ATOM 0 HA SER A 46 -4.993 4.740 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.848 5.306 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.513 6.368 -8.291 1.00 0.00 H new ATOM 0 HG SER A 46 -8.732 4.391 -8.088 1.00 0.00 H new ATOM 689 N PRO A 47 -5.199 3.690 -10.599 1.00 0.00 N ATOM 690 CA PRO A 47 -5.321 2.983 -11.886 1.00 0.00 C ATOM 691 C PRO A 47 -6.526 2.037 -11.862 1.00 0.00 C ATOM 692 O PRO A 47 -6.776 1.310 -12.803 1.00 0.00 O ATOM 693 CB PRO A 47 -4.011 2.199 -11.992 1.00 0.00 C ATOM 694 CG PRO A 47 -3.479 2.043 -10.549 1.00 0.00 C ATOM 695 CD PRO A 47 -4.153 3.145 -9.710 1.00 0.00 C ATOM 0 HA PRO A 47 -5.478 3.653 -12.731 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.177 1.225 -12.452 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.291 2.728 -12.617 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.716 1.055 -10.153 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.394 2.145 -10.523 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.581 2.741 -8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.439 3.915 -9.417 1.00 0.00 H new ATOM 703 N LYS A 48 -7.273 2.043 -10.793 1.00 0.00 N ATOM 704 CA LYS A 48 -8.460 1.146 -10.707 1.00 0.00 C ATOM 705 C LYS A 48 -9.419 1.671 -9.638 1.00 0.00 C ATOM 706 O LYS A 48 -9.134 1.624 -8.457 1.00 0.00 O ATOM 707 CB LYS A 48 -8.005 -0.268 -10.337 1.00 0.00 C ATOM 708 CG LYS A 48 -8.241 -1.208 -11.520 1.00 0.00 C ATOM 709 CD LYS A 48 -6.957 -1.984 -11.819 1.00 0.00 C ATOM 710 CE LYS A 48 -6.528 -1.723 -13.264 1.00 0.00 C ATOM 711 NZ LYS A 48 -5.081 -2.048 -13.420 1.00 0.00 N ATOM 0 H LYS A 48 -7.113 2.630 -9.975 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.969 1.123 -11.671 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.949 -0.263 -10.069 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.554 -0.621 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.052 -1.900 -11.292 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.546 -0.637 -12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.167 -1.679 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.119 -3.051 -11.664 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.123 -2.330 -13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.708 -0.680 -13.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.789 -1.871 -14.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.520 -1.451 -12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.923 -3.049 -13.187 1.00 0.00 H new ATOM 725 N ALA A 49 -10.555 2.173 -10.040 1.00 0.00 N ATOM 726 CA ALA A 49 -11.530 2.699 -9.044 1.00 0.00 C ATOM 727 C ALA A 49 -12.187 1.533 -8.304 1.00 0.00 C ATOM 728 O ALA A 49 -13.200 1.011 -8.724 1.00 0.00 O ATOM 729 CB ALA A 49 -12.604 3.516 -9.765 1.00 0.00 C ATOM 0 H ALA A 49 -10.849 2.241 -11.014 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.009 3.334 -8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.318 3.901 -9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.136 4.349 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.124 2.881 -10.482 1.00 0.00 H new ATOM 735 N GLY A 50 -11.616 1.118 -7.206 1.00 0.00 N ATOM 736 CA GLY A 50 -12.209 -0.015 -6.441 1.00 0.00 C ATOM 737 C GLY A 50 -12.029 0.230 -4.942 1.00 0.00 C ATOM 738 O GLY A 50 -11.855 1.350 -4.503 1.00 0.00 O ATOM 0 H GLY A 50 -10.765 1.514 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.268 -0.113 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.729 -0.951 -6.727 1.00 0.00 H new ATOM 742 N VAL A 51 -12.070 -0.808 -4.152 1.00 0.00 N ATOM 743 CA VAL A 51 -11.901 -0.633 -2.682 1.00 0.00 C ATOM 744 C VAL A 51 -10.571 -1.248 -2.244 1.00 0.00 C ATOM 745 O VAL A 51 -10.270 -2.386 -2.550 1.00 0.00 O ATOM 746 CB VAL A 51 -13.050 -1.329 -1.950 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.941 -2.842 -2.149 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.972 -1.005 -0.457 1.00 0.00 C ATOM 0 H VAL A 51 -12.213 -1.769 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.907 0.430 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 51 -14.001 -0.978 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.760 -3.338 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.995 -3.074 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.990 -3.194 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.790 -1.500 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.021 -1.356 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.050 0.073 -0.314 1.00 0.00 H new ATOM 758 N VAL A 52 -9.769 -0.505 -1.532 1.00 0.00 N ATOM 759 CA VAL A 52 -8.458 -1.048 -1.076 1.00 0.00 C ATOM 760 C VAL A 52 -8.691 -2.306 -0.237 1.00 0.00 C ATOM 761 O VAL A 52 -9.549 -2.341 0.622 1.00 0.00 O ATOM 762 CB VAL A 52 -7.737 0.003 -0.230 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.540 -0.639 0.474 1.00 0.00 C ATOM 764 CG2 VAL A 52 -7.247 1.136 -1.135 1.00 0.00 C ATOM 0 H VAL A 52 -9.965 0.454 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.847 -1.298 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.425 0.402 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.027 0.111 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.887 -1.447 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.852 -1.039 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.733 1.886 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.560 0.735 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.099 1.595 -1.637 1.00 0.00 H new ATOM 774 N LYS A 53 -7.932 -3.339 -0.479 1.00 0.00 N ATOM 775 CA LYS A 53 -8.110 -4.594 0.305 1.00 0.00 C ATOM 776 C LYS A 53 -6.948 -4.750 1.288 1.00 0.00 C ATOM 777 O LYS A 53 -7.107 -5.269 2.375 1.00 0.00 O ATOM 778 CB LYS A 53 -8.135 -5.791 -0.648 1.00 0.00 C ATOM 779 CG LYS A 53 -8.658 -7.023 0.093 1.00 0.00 C ATOM 780 CD LYS A 53 -10.080 -7.335 -0.376 1.00 0.00 C ATOM 781 CE LYS A 53 -11.084 -6.611 0.522 1.00 0.00 C ATOM 782 NZ LYS A 53 -12.356 -6.397 -0.226 1.00 0.00 N ATOM 0 H LYS A 53 -7.197 -3.369 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.049 -4.548 0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.771 -5.573 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.134 -5.983 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.007 -7.877 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.649 -6.845 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.210 -7.021 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.257 -8.410 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.273 -7.197 1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.675 -5.654 0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.039 -5.905 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.169 -5.821 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.748 -7.316 -0.514 1.00 0.00 H new ATOM 796 N SER A 54 -5.780 -4.303 0.916 1.00 0.00 N ATOM 797 CA SER A 54 -4.609 -4.426 1.829 1.00 0.00 C ATOM 798 C SER A 54 -3.341 -3.984 1.096 1.00 0.00 C ATOM 799 O SER A 54 -3.187 -4.209 -0.088 1.00 0.00 O ATOM 800 CB SER A 54 -4.460 -5.882 2.273 1.00 0.00 C ATOM 801 OG SER A 54 -4.878 -6.006 3.626 1.00 0.00 O ATOM 0 H SER A 54 -5.586 -3.858 0.019 1.00 0.00 H new ATOM 0 HA SER A 54 -4.762 -3.793 2.703 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.058 -6.532 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.423 -6.201 2.170 1.00 0.00 H new ATOM 0 HG SER A 54 -5.838 -5.820 3.690 1.00 0.00 H new ATOM 807 N VAL A 55 -2.432 -3.355 1.789 1.00 0.00 N ATOM 808 CA VAL A 55 -1.175 -2.900 1.132 1.00 0.00 C ATOM 809 C VAL A 55 -0.051 -3.893 1.436 1.00 0.00 C ATOM 810 O VAL A 55 0.119 -4.327 2.558 1.00 0.00 O ATOM 811 CB VAL A 55 -0.792 -1.518 1.663 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.467 -1.026 0.948 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.940 -0.537 1.404 1.00 0.00 C ATOM 0 H VAL A 55 -2.506 -3.136 2.783 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.329 -2.845 0.054 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.600 -1.581 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.739 -0.041 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.285 -1.723 1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.276 -0.962 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.669 0.449 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.131 -0.475 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.839 -0.886 1.913 1.00 0.00 H new ATOM 823 N SER A 56 0.716 -4.255 0.445 1.00 0.00 N ATOM 824 CA SER A 56 1.828 -5.219 0.679 1.00 0.00 C ATOM 825 C SER A 56 3.163 -4.472 0.661 1.00 0.00 C ATOM 826 O SER A 56 4.216 -5.066 0.540 1.00 0.00 O ATOM 827 CB SER A 56 1.824 -6.279 -0.423 1.00 0.00 C ATOM 828 OG SER A 56 0.736 -7.171 -0.211 1.00 0.00 O ATOM 0 H SER A 56 0.621 -3.926 -0.516 1.00 0.00 H new ATOM 0 HA SER A 56 1.693 -5.700 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.735 -5.804 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.766 -6.828 -0.419 1.00 0.00 H new ATOM 0 HG SER A 56 0.729 -7.851 -0.916 1.00 0.00 H new ATOM 834 N VAL A 57 3.129 -3.173 0.782 1.00 0.00 N ATOM 835 CA VAL A 57 4.396 -2.390 0.772 1.00 0.00 C ATOM 836 C VAL A 57 4.347 -1.328 1.872 1.00 0.00 C ATOM 837 O VAL A 57 3.289 -0.930 2.317 1.00 0.00 O ATOM 838 CB VAL A 57 4.564 -1.710 -0.588 1.00 0.00 C ATOM 839 CG1 VAL A 57 5.154 -2.705 -1.588 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.199 -1.233 -1.090 1.00 0.00 C ATOM 0 H VAL A 57 2.278 -2.620 0.887 1.00 0.00 H new ATOM 0 HA VAL A 57 5.239 -3.058 0.950 1.00 0.00 H new ATOM 0 HB VAL A 57 5.235 -0.857 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.273 -2.220 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.126 -3.047 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.484 -3.559 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.317 -0.748 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.530 -2.087 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.777 -0.523 -0.378 1.00 0.00 H new ATOM 850 N LYS A 58 5.484 -0.865 2.314 1.00 0.00 N ATOM 851 CA LYS A 58 5.502 0.171 3.385 1.00 0.00 C ATOM 852 C LYS A 58 5.980 1.502 2.799 1.00 0.00 C ATOM 853 O LYS A 58 6.493 1.558 1.699 1.00 0.00 O ATOM 854 CB LYS A 58 6.453 -0.266 4.501 1.00 0.00 C ATOM 855 CG LYS A 58 5.986 0.330 5.831 1.00 0.00 C ATOM 856 CD LYS A 58 6.658 -0.414 6.987 1.00 0.00 C ATOM 857 CE LYS A 58 6.923 0.561 8.136 1.00 0.00 C ATOM 858 NZ LYS A 58 5.636 0.901 8.807 1.00 0.00 N ATOM 0 H LYS A 58 6.402 -1.159 1.980 1.00 0.00 H new ATOM 0 HA LYS A 58 4.498 0.292 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.479 -1.354 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.468 0.064 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.234 1.390 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.902 0.253 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.021 -1.230 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.594 -0.860 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.613 0.116 8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.398 1.466 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.816 1.564 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.992 1.343 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.200 0.034 9.182 1.00 0.00 H new ATOM 872 N LEU A 59 5.815 2.573 3.525 1.00 0.00 N ATOM 873 CA LEU A 59 6.261 3.899 3.010 1.00 0.00 C ATOM 874 C LEU A 59 7.781 4.013 3.142 1.00 0.00 C ATOM 875 O LEU A 59 8.357 3.635 4.143 1.00 0.00 O ATOM 876 CB LEU A 59 5.594 5.012 3.821 1.00 0.00 C ATOM 877 CG LEU A 59 5.964 4.859 5.297 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.634 6.142 5.792 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.696 4.600 6.115 1.00 0.00 C ATOM 0 H LEU A 59 5.391 2.588 4.452 1.00 0.00 H new ATOM 0 HA LEU A 59 5.979 3.994 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.915 5.987 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.512 4.966 3.700 1.00 0.00 H new ATOM 0 HG LEU A 59 6.652 4.022 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.897 6.032 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.536 6.329 5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.946 6.980 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.958 4.491 7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.009 5.438 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.217 3.686 5.764 1.00 0.00 H new ATOM 891 N GLY A 60 8.436 4.529 2.138 1.00 0.00 N ATOM 892 CA GLY A 60 9.918 4.667 2.208 1.00 0.00 C ATOM 893 C GLY A 60 10.575 3.383 1.699 1.00 0.00 C ATOM 894 O GLY A 60 11.769 3.332 1.476 1.00 0.00 O ATOM 0 H GLY A 60 8.009 4.861 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.243 5.517 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.227 4.864 3.234 1.00 0.00 H new ATOM 898 N ASP A 61 9.807 2.345 1.514 1.00 0.00 N ATOM 899 CA ASP A 61 10.390 1.066 1.020 1.00 0.00 C ATOM 900 C ASP A 61 10.602 1.152 -0.494 1.00 0.00 C ATOM 901 O ASP A 61 9.864 1.815 -1.195 1.00 0.00 O ATOM 902 CB ASP A 61 9.433 -0.086 1.336 1.00 0.00 C ATOM 903 CG ASP A 61 9.578 -0.481 2.807 1.00 0.00 C ATOM 904 OD1 ASP A 61 9.995 0.360 3.587 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.269 -1.616 3.129 1.00 0.00 O ATOM 0 H ASP A 61 8.801 2.327 1.683 1.00 0.00 H new ATOM 0 HA ASP A 61 11.347 0.889 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.406 0.213 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.652 -0.941 0.696 1.00 0.00 H new ATOM 910 N LYS A 62 11.604 0.488 -1.000 1.00 0.00 N ATOM 911 CA LYS A 62 11.862 0.533 -2.468 1.00 0.00 C ATOM 912 C LYS A 62 10.959 -0.477 -3.177 1.00 0.00 C ATOM 913 O LYS A 62 10.378 -1.347 -2.557 1.00 0.00 O ATOM 914 CB LYS A 62 13.328 0.187 -2.737 1.00 0.00 C ATOM 915 CG LYS A 62 14.225 0.987 -1.791 1.00 0.00 C ATOM 916 CD LYS A 62 15.320 0.076 -1.233 1.00 0.00 C ATOM 917 CE LYS A 62 16.334 0.913 -0.452 1.00 0.00 C ATOM 918 NZ LYS A 62 16.160 0.672 1.007 1.00 0.00 N ATOM 0 H LYS A 62 12.255 -0.084 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 62 11.650 1.534 -2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.492 -0.881 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.581 0.413 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.672 1.828 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.633 1.403 -0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.881 -0.681 -0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.818 -0.451 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.348 0.652 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.197 1.971 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.850 1.241 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.197 0.942 1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.312 -0.336 1.213 1.00 0.00 H new ATOM 932 N LEU A 63 10.837 -0.372 -4.472 1.00 0.00 N ATOM 933 CA LEU A 63 9.972 -1.327 -5.218 1.00 0.00 C ATOM 934 C LEU A 63 10.540 -1.541 -6.623 1.00 0.00 C ATOM 935 O LEU A 63 10.560 -0.641 -7.439 1.00 0.00 O ATOM 936 CB LEU A 63 8.555 -0.757 -5.324 1.00 0.00 C ATOM 937 CG LEU A 63 7.743 -1.179 -4.099 1.00 0.00 C ATOM 938 CD1 LEU A 63 7.933 -0.153 -2.981 1.00 0.00 C ATOM 939 CD2 LEU A 63 6.260 -1.255 -4.472 1.00 0.00 C ATOM 0 H LEU A 63 11.299 0.334 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 63 9.943 -2.279 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.593 0.330 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.074 -1.116 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 63 8.084 -2.156 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.354 -0.455 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.988 -0.097 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.592 0.824 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.680 -1.556 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.920 -0.277 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.122 -1.986 -5.269 1.00 0.00 H new ATOM 951 N LYS A 64 11.004 -2.726 -6.911 1.00 0.00 N ATOM 952 CA LYS A 64 11.571 -2.997 -8.263 1.00 0.00 C ATOM 953 C LYS A 64 10.443 -3.392 -9.219 1.00 0.00 C ATOM 954 O LYS A 64 9.556 -4.144 -8.869 1.00 0.00 O ATOM 955 CB LYS A 64 12.584 -4.139 -8.170 1.00 0.00 C ATOM 956 CG LYS A 64 13.917 -3.690 -8.773 1.00 0.00 C ATOM 957 CD LYS A 64 15.063 -4.112 -7.851 1.00 0.00 C ATOM 958 CE LYS A 64 15.922 -5.166 -8.554 1.00 0.00 C ATOM 959 NZ LYS A 64 17.305 -4.640 -8.732 1.00 0.00 N ATOM 0 H LYS A 64 11.015 -3.518 -6.269 1.00 0.00 H new ATOM 0 HA LYS A 64 12.066 -2.101 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.724 -4.431 -7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.210 -5.015 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.049 -4.132 -9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.922 -2.608 -8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.672 -3.246 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.665 -4.514 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.943 -6.084 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.489 -5.417 -9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.890 -5.355 -9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.276 -3.775 -9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.716 -4.422 -7.802 1.00 0.00 H new ATOM 973 N GLU A 65 10.469 -2.887 -10.422 1.00 0.00 N ATOM 974 CA GLU A 65 9.401 -3.229 -11.400 1.00 0.00 C ATOM 975 C GLU A 65 9.095 -4.727 -11.326 1.00 0.00 C ATOM 976 O GLU A 65 9.945 -5.528 -10.991 1.00 0.00 O ATOM 977 CB GLU A 65 9.871 -2.875 -12.814 1.00 0.00 C ATOM 978 CG GLU A 65 10.967 -3.852 -13.246 1.00 0.00 C ATOM 979 CD GLU A 65 11.456 -3.482 -14.647 1.00 0.00 C ATOM 980 OE1 GLU A 65 11.090 -2.417 -15.120 1.00 0.00 O ATOM 981 OE2 GLU A 65 12.188 -4.268 -15.225 1.00 0.00 O ATOM 0 H GLU A 65 11.186 -2.251 -10.769 1.00 0.00 H new ATOM 0 HA GLU A 65 8.500 -2.663 -11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.033 -2.921 -13.510 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.250 -1.853 -12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.796 -3.820 -12.539 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.583 -4.872 -13.241 1.00 0.00 H new ATOM 988 N GLY A 66 7.887 -5.111 -11.638 1.00 0.00 N ATOM 989 CA GLY A 66 7.527 -6.557 -11.585 1.00 0.00 C ATOM 990 C GLY A 66 7.045 -6.915 -10.178 1.00 0.00 C ATOM 991 O GLY A 66 6.401 -7.924 -9.970 1.00 0.00 O ATOM 0 H GLY A 66 7.134 -4.486 -11.927 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.746 -6.775 -12.314 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.390 -7.167 -11.851 1.00 0.00 H new ATOM 995 N ASP A 67 7.353 -6.096 -9.209 1.00 0.00 N ATOM 996 CA ASP A 67 6.913 -6.390 -7.817 1.00 0.00 C ATOM 997 C ASP A 67 5.491 -5.867 -7.609 1.00 0.00 C ATOM 998 O ASP A 67 5.129 -4.815 -8.099 1.00 0.00 O ATOM 999 CB ASP A 67 7.858 -5.706 -6.828 1.00 0.00 C ATOM 1000 CG ASP A 67 9.151 -6.516 -6.712 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.063 -7.730 -6.653 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.208 -5.906 -6.685 1.00 0.00 O ATOM 0 H ASP A 67 7.890 -5.236 -9.322 1.00 0.00 H new ATOM 0 HA ASP A 67 6.931 -7.467 -7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.080 -4.693 -7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.381 -5.622 -5.852 1.00 0.00 H new ATOM 1007 N ALA A 68 4.681 -6.592 -6.887 1.00 0.00 N ATOM 1008 CA ALA A 68 3.283 -6.134 -6.650 1.00 0.00 C ATOM 1009 C ALA A 68 3.294 -4.934 -5.701 1.00 0.00 C ATOM 1010 O ALA A 68 4.316 -4.575 -5.151 1.00 0.00 O ATOM 1011 CB ALA A 68 2.473 -7.272 -6.024 1.00 0.00 C ATOM 0 H ALA A 68 4.927 -7.481 -6.451 1.00 0.00 H new ATOM 0 HA ALA A 68 2.830 -5.844 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.450 -6.938 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.465 -8.128 -6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.926 -7.562 -5.076 1.00 0.00 H new ATOM 1017 N ILE A 69 2.164 -4.310 -5.504 1.00 0.00 N ATOM 1018 CA ILE A 69 2.113 -3.134 -4.591 1.00 0.00 C ATOM 1019 C ILE A 69 0.895 -3.255 -3.672 1.00 0.00 C ATOM 1020 O ILE A 69 1.016 -3.273 -2.464 1.00 0.00 O ATOM 1021 CB ILE A 69 2.003 -1.851 -5.418 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.335 -1.585 -6.122 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.671 -0.677 -4.496 1.00 0.00 C ATOM 1024 CD1 ILE A 69 3.159 -1.758 -7.632 1.00 0.00 C ATOM 0 H ILE A 69 1.275 -4.564 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 69 3.021 -3.101 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 69 1.214 -1.963 -6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.681 -0.576 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.097 -2.272 -5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.593 0.237 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.723 -0.867 -3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.460 -0.563 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.108 -1.568 -8.133 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.833 -2.776 -7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.410 -1.053 -7.994 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.279 -3.337 -4.235 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.503 -3.456 -3.393 1.00 0.00 C ATOM 1038 C ILE A 70 -2.544 -4.307 -4.124 1.00 0.00 C ATOM 1039 O ILE A 70 -2.318 -4.774 -5.223 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.078 -2.064 -3.128 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.367 -1.370 -4.460 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.064 -1.236 -2.334 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -2.680 0.106 -4.211 1.00 0.00 C ATOM 0 H ILE A 70 -0.444 -3.327 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.247 -3.929 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.002 -2.156 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.508 -1.463 -5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.208 -1.852 -4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.473 -0.244 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.855 -1.729 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.141 -1.145 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.886 0.600 -5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.552 0.189 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.825 0.583 -3.732 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.684 -4.511 -3.524 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.738 -5.331 -4.185 1.00 0.00 C ATOM 1057 C GLU A 71 -6.075 -4.587 -4.128 1.00 0.00 C ATOM 1058 O GLU A 71 -6.605 -4.325 -3.066 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.870 -6.673 -3.461 1.00 0.00 C ATOM 1060 CG GLU A 71 -5.759 -7.610 -4.280 1.00 0.00 C ATOM 1061 CD GLU A 71 -5.454 -9.062 -3.903 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.354 -9.314 -3.437 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -6.324 -9.897 -4.086 1.00 0.00 O ATOM 0 H GLU A 71 -3.931 -4.145 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.463 -5.505 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.886 -7.120 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.298 -6.523 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.810 -7.388 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.585 -7.455 -5.345 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.622 -4.245 -5.261 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.923 -3.519 -5.270 1.00 0.00 C ATOM 1072 C LEU A 72 -9.062 -4.515 -5.503 1.00 0.00 C ATOM 1073 O LEU A 72 -8.904 -5.500 -6.196 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.919 -2.479 -6.393 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.260 -1.746 -6.415 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.059 -0.298 -5.963 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.825 -1.760 -7.837 1.00 0.00 C ATOM 0 H LEU A 72 -6.225 -4.437 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.067 -3.020 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.107 -1.768 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.743 -2.965 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.956 -2.244 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.016 0.224 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.656 -0.286 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.362 0.200 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.781 -1.237 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.128 -1.262 -8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.969 -2.791 -8.161 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.206 -4.267 -4.928 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.352 -5.200 -5.116 1.00 0.00 C ATOM 1091 C GLU A 73 -12.521 -4.450 -5.763 1.00 0.00 C ATOM 1092 O GLU A 73 -13.358 -3.899 -5.075 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.789 -5.752 -3.758 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.997 -6.671 -3.944 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.534 -8.129 -3.951 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -11.798 -8.500 -3.051 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -12.923 -8.850 -4.854 1.00 0.00 O ATOM 0 H GLU A 73 -10.397 -3.459 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.047 -6.024 -5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.969 -6.301 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.042 -4.933 -3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.716 -6.511 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.506 -6.436 -4.879 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.541 -4.454 -7.071 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.593 -3.780 -7.852 1.00 0.00 C ATOM 1106 C PRO A 74 -14.869 -4.626 -7.869 1.00 0.00 C ATOM 1107 O PRO A 74 -14.891 -5.745 -7.395 1.00 0.00 O ATOM 1108 CB PRO A 74 -12.988 -3.677 -9.255 1.00 0.00 C ATOM 1109 CG PRO A 74 -11.899 -4.773 -9.342 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.514 -5.129 -7.894 1.00 0.00 C ATOM 0 HA PRO A 74 -13.877 -2.810 -7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.751 -3.826 -10.019 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.559 -2.689 -9.421 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.274 -5.650 -9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.032 -4.414 -9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.520 -6.207 -7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.512 -4.776 -7.650 1.00 0.00 H new