USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 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+ -120:sc= 0.122 (180deg=0) USER MOD Single : A 1 SER OG : rot 82:sc= -0.448 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00138 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.85! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00955 USER MOD Single : A 42 MET CE :methyl 180:sc= -1.57 (180deg=-1.57) USER MOD Single : A 46 SER OG : rot -111:sc= -0.503 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= -0.153 (180deg=-0.946) USER MOD Single : A 54 SER OG : rot -3:sc= 0.672! USER MOD Single : A 56 SER OG : rot -44:sc= 1.03 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -158:sc=-0.00765 (180deg=-0.139) USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.597 -9.806 -6.963 1.00 0.00 N ATOM 2 CA SER A 1 -9.519 -8.377 -7.381 1.00 0.00 C ATOM 3 C SER A 1 -8.326 -8.186 -8.321 1.00 0.00 C ATOM 4 O SER A 1 -7.604 -9.115 -8.620 1.00 0.00 O ATOM 5 CB SER A 1 -9.341 -7.494 -6.146 1.00 0.00 C ATOM 6 OG SER A 1 -8.088 -7.781 -5.539 1.00 0.00 O ATOM 0 H1 SER A 1 -10.509 -10.206 -7.262 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.823 -10.340 -7.407 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.513 -9.870 -5.928 1.00 0.00 H new ATOM 0 HA SER A 1 -10.438 -8.098 -7.897 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.389 -6.442 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.150 -7.672 -5.438 1.00 0.00 H new ATOM 0 HG SER A 1 -7.378 -7.294 -6.008 1.00 0.00 H new ATOM 14 N GLU A 2 -8.115 -6.985 -8.789 1.00 0.00 N ATOM 15 CA GLU A 2 -6.969 -6.735 -9.709 1.00 0.00 C ATOM 16 C GLU A 2 -5.714 -6.429 -8.889 1.00 0.00 C ATOM 17 O GLU A 2 -5.758 -5.695 -7.921 1.00 0.00 O ATOM 18 CB GLU A 2 -7.291 -5.543 -10.613 1.00 0.00 C ATOM 19 CG GLU A 2 -7.973 -6.037 -11.889 1.00 0.00 C ATOM 20 CD GLU A 2 -9.408 -6.457 -11.572 1.00 0.00 C ATOM 21 OE1 GLU A 2 -10.043 -5.777 -10.783 1.00 0.00 O ATOM 22 OE2 GLU A 2 -9.849 -7.455 -12.122 1.00 0.00 O ATOM 0 H GLU A 2 -8.686 -6.168 -8.574 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.796 -7.619 -10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.941 -4.842 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.376 -5.005 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.972 -5.250 -12.643 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.421 -6.879 -12.307 1.00 0.00 H new ATOM 29 N ILE A 3 -4.596 -6.985 -9.266 1.00 0.00 N ATOM 30 CA ILE A 3 -3.341 -6.725 -8.507 1.00 0.00 C ATOM 31 C ILE A 3 -2.491 -5.702 -9.265 1.00 0.00 C ATOM 32 O ILE A 3 -2.117 -5.913 -10.401 1.00 0.00 O ATOM 33 CB ILE A 3 -2.561 -8.034 -8.348 1.00 0.00 C ATOM 34 CG1 ILE A 3 -1.487 -7.864 -7.268 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.898 -8.406 -9.676 1.00 0.00 C ATOM 36 CD1 ILE A 3 -0.438 -6.854 -7.738 1.00 0.00 C ATOM 0 H ILE A 3 -4.497 -7.608 -10.067 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.584 -6.330 -7.521 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.248 -8.828 -8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.943 -7.523 -6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.014 -8.823 -7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.344 -9.338 -9.558 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.663 -8.533 -10.442 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.213 -7.613 -9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.324 -6.736 -6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.027 -7.213 -8.656 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.917 -5.893 -7.925 1.00 0.00 H new ATOM 48 N ILE A 4 -2.181 -4.597 -8.644 1.00 0.00 N ATOM 49 CA ILE A 4 -1.355 -3.563 -9.328 1.00 0.00 C ATOM 50 C ILE A 4 0.113 -3.744 -8.937 1.00 0.00 C ATOM 51 O ILE A 4 0.484 -3.582 -7.791 1.00 0.00 O ATOM 52 CB ILE A 4 -1.829 -2.172 -8.906 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.306 -2.005 -9.275 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.002 -1.107 -9.628 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.478 -2.184 -10.784 1.00 0.00 C ATOM 0 H ILE A 4 -2.464 -4.366 -7.692 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.459 -3.669 -10.408 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.705 -2.058 -7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.911 -2.737 -8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.658 -1.019 -8.973 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.341 -0.116 -9.326 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.050 -1.225 -9.368 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.124 -1.220 -10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.529 -2.065 -11.047 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.886 -1.435 -11.309 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.142 -3.180 -11.073 1.00 0.00 H new ATOM 67 N ARG A 5 0.952 -4.081 -9.878 1.00 0.00 N ATOM 68 CA ARG A 5 2.393 -4.274 -9.554 1.00 0.00 C ATOM 69 C ARG A 5 3.223 -3.177 -10.223 1.00 0.00 C ATOM 70 O ARG A 5 2.788 -2.540 -11.162 1.00 0.00 O ATOM 71 CB ARG A 5 2.853 -5.641 -10.066 1.00 0.00 C ATOM 72 CG ARG A 5 2.518 -5.769 -11.553 1.00 0.00 C ATOM 73 CD ARG A 5 1.415 -6.812 -11.739 1.00 0.00 C ATOM 74 NE ARG A 5 1.907 -7.904 -12.625 1.00 0.00 N ATOM 75 CZ ARG A 5 1.499 -7.975 -13.862 1.00 0.00 C ATOM 76 NH1 ARG A 5 1.189 -6.885 -14.510 1.00 0.00 N ATOM 77 NH2 ARG A 5 1.402 -9.135 -14.451 1.00 0.00 N ATOM 0 H ARG A 5 0.702 -4.231 -10.856 1.00 0.00 H new ATOM 0 HA ARG A 5 2.529 -4.223 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.926 -5.756 -9.913 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.364 -6.436 -9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.193 -4.806 -11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.407 -6.060 -12.113 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.119 -7.219 -10.772 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.530 -6.347 -12.174 1.00 0.00 H new ATOM 0 HE ARG A 5 2.563 -8.597 -12.264 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.266 -5.978 -14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.870 -6.940 -15.477 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.645 -9.986 -13.944 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.083 -9.191 -15.418 1.00 0.00 H new ATOM 91 N VAL A 6 4.415 -2.952 -9.745 1.00 0.00 N ATOM 92 CA VAL A 6 5.279 -1.899 -10.347 1.00 0.00 C ATOM 93 C VAL A 6 5.227 -2.005 -11.877 1.00 0.00 C ATOM 94 O VAL A 6 5.833 -2.887 -12.451 1.00 0.00 O ATOM 95 CB VAL A 6 6.719 -2.099 -9.874 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.633 -1.099 -10.586 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.794 -1.871 -8.364 1.00 0.00 C ATOM 0 H VAL A 6 4.829 -3.454 -8.960 1.00 0.00 H new ATOM 0 HA VAL A 6 4.924 -0.915 -10.040 1.00 0.00 H new ATOM 0 HB VAL A 6 7.041 -3.114 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.660 -1.241 -10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.579 -1.259 -11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.312 -0.084 -10.354 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.820 -2.013 -8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.473 -0.855 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.142 -2.582 -7.856 1.00 0.00 H new ATOM 107 N PRO A 7 4.505 -1.100 -12.494 1.00 0.00 N ATOM 108 CA PRO A 7 4.361 -1.069 -13.959 1.00 0.00 C ATOM 109 C PRO A 7 5.614 -0.473 -14.607 1.00 0.00 C ATOM 110 O PRO A 7 6.619 -0.261 -13.957 1.00 0.00 O ATOM 111 CB PRO A 7 3.146 -0.164 -14.182 1.00 0.00 C ATOM 112 CG PRO A 7 3.014 0.709 -12.912 1.00 0.00 C ATOM 113 CD PRO A 7 3.770 -0.029 -11.791 1.00 0.00 C ATOM 0 HA PRO A 7 4.235 -2.058 -14.399 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.281 0.457 -15.068 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.245 -0.756 -14.342 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.437 1.700 -13.077 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.966 0.850 -12.646 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.449 0.639 -11.262 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.083 -0.438 -11.050 1.00 0.00 H new ATOM 121 N ASP A 8 5.564 -0.202 -15.883 1.00 0.00 N ATOM 122 CA ASP A 8 6.753 0.379 -16.569 1.00 0.00 C ATOM 123 C ASP A 8 6.928 1.836 -16.139 1.00 0.00 C ATOM 124 O ASP A 8 6.263 2.724 -16.634 1.00 0.00 O ATOM 125 CB ASP A 8 6.548 0.314 -18.084 1.00 0.00 C ATOM 126 CG ASP A 8 7.884 0.554 -18.791 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.845 -0.110 -18.437 1.00 0.00 O ATOM 128 OD2 ASP A 8 7.923 1.395 -19.673 1.00 0.00 O ATOM 0 H ASP A 8 4.752 -0.358 -16.480 1.00 0.00 H new ATOM 0 HA ASP A 8 7.643 -0.188 -16.298 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.145 -0.659 -18.366 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.820 1.063 -18.396 1.00 0.00 H new ATOM 133 N ILE A 9 7.820 2.091 -15.222 1.00 0.00 N ATOM 134 CA ILE A 9 8.038 3.490 -14.761 1.00 0.00 C ATOM 135 C ILE A 9 9.371 4.004 -15.311 1.00 0.00 C ATOM 136 O ILE A 9 9.676 5.177 -15.229 1.00 0.00 O ATOM 137 CB ILE A 9 8.068 3.549 -13.225 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.979 2.138 -12.630 1.00 0.00 C ATOM 139 CG2 ILE A 9 6.886 4.381 -12.726 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.104 2.216 -11.108 1.00 0.00 C ATOM 0 H ILE A 9 8.408 1.390 -14.772 1.00 0.00 H new ATOM 0 HA ILE A 9 7.220 4.112 -15.124 1.00 0.00 H new ATOM 0 HB ILE A 9 9.006 4.006 -12.911 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.031 1.676 -12.904 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.770 1.509 -13.039 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.905 4.424 -11.637 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.955 5.391 -13.130 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.954 3.922 -13.054 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.041 1.213 -10.686 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.063 2.661 -10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.297 2.830 -10.708 1.00 0.00 H new ATOM 152 N GLY A 10 10.165 3.135 -15.874 1.00 0.00 N ATOM 153 CA GLY A 10 11.476 3.575 -16.429 1.00 0.00 C ATOM 154 C GLY A 10 12.609 2.857 -15.692 1.00 0.00 C ATOM 155 O GLY A 10 13.729 2.803 -16.158 1.00 0.00 O ATOM 0 H GLY A 10 9.963 2.140 -15.974 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.524 3.354 -17.495 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.585 4.654 -16.322 1.00 0.00 H new ATOM 159 N GLY A 11 12.324 2.307 -14.544 1.00 0.00 N ATOM 160 CA GLY A 11 13.384 1.593 -13.776 1.00 0.00 C ATOM 161 C GLY A 11 12.863 1.263 -12.376 1.00 0.00 C ATOM 162 O GLY A 11 11.889 0.554 -12.216 1.00 0.00 O ATOM 0 H GLY A 11 11.404 2.321 -14.104 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.670 0.678 -14.294 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.278 2.213 -13.707 1.00 0.00 H new ATOM 166 N ASP A 12 13.503 1.773 -11.360 1.00 0.00 N ATOM 167 CA ASP A 12 13.044 1.488 -9.971 1.00 0.00 C ATOM 168 C ASP A 12 12.137 2.622 -9.492 1.00 0.00 C ATOM 169 O ASP A 12 12.027 3.653 -10.127 1.00 0.00 O ATOM 170 CB ASP A 12 14.257 1.378 -9.045 1.00 0.00 C ATOM 171 CG ASP A 12 13.966 0.360 -7.941 1.00 0.00 C ATOM 172 OD1 ASP A 12 14.131 -0.823 -8.194 1.00 0.00 O ATOM 173 OD2 ASP A 12 13.584 0.780 -6.860 1.00 0.00 O ATOM 0 H ASP A 12 14.324 2.375 -11.431 1.00 0.00 H new ATOM 0 HA ASP A 12 12.490 0.549 -9.956 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.135 1.072 -9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.483 2.350 -8.607 1.00 0.00 H new ATOM 178 N GLY A 13 11.485 2.443 -8.375 1.00 0.00 N ATOM 179 CA GLY A 13 10.585 3.513 -7.858 1.00 0.00 C ATOM 180 C GLY A 13 10.522 3.433 -6.332 1.00 0.00 C ATOM 181 O GLY A 13 10.123 2.433 -5.769 1.00 0.00 O ATOM 0 H GLY A 13 11.537 1.603 -7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.952 4.492 -8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.587 3.399 -8.280 1.00 0.00 H new ATOM 185 N GLU A 14 10.913 4.479 -5.657 1.00 0.00 N ATOM 186 CA GLU A 14 10.875 4.461 -4.167 1.00 0.00 C ATOM 187 C GLU A 14 9.635 5.214 -3.680 1.00 0.00 C ATOM 188 O GLU A 14 9.440 6.373 -3.987 1.00 0.00 O ATOM 189 CB GLU A 14 12.132 5.138 -3.617 1.00 0.00 C ATOM 190 CG GLU A 14 13.322 4.816 -4.522 1.00 0.00 C ATOM 191 CD GLU A 14 14.515 5.690 -4.130 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.956 5.582 -2.998 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.966 6.452 -4.970 1.00 0.00 O ATOM 0 H GLU A 14 11.257 5.345 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 14 10.835 3.430 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.983 6.217 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.329 4.793 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.585 3.762 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.057 4.991 -5.565 1.00 0.00 H new ATOM 200 N VAL A 15 8.795 4.564 -2.923 1.00 0.00 N ATOM 201 CA VAL A 15 7.569 5.242 -2.418 1.00 0.00 C ATOM 202 C VAL A 15 7.967 6.406 -1.507 1.00 0.00 C ATOM 203 O VAL A 15 8.683 6.233 -0.541 1.00 0.00 O ATOM 204 CB VAL A 15 6.723 4.243 -1.626 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.339 4.840 -1.366 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.575 2.951 -2.433 1.00 0.00 C ATOM 0 H VAL A 15 8.905 3.592 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 15 6.991 5.621 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 15 7.210 4.027 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.736 4.129 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.442 5.762 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.851 5.055 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.973 2.238 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.087 3.169 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.560 2.525 -2.621 1.00 0.00 H new ATOM 216 N ILE A 16 7.509 7.590 -1.809 1.00 0.00 N ATOM 217 CA ILE A 16 7.861 8.763 -0.959 1.00 0.00 C ATOM 218 C ILE A 16 6.704 9.067 -0.006 1.00 0.00 C ATOM 219 O ILE A 16 6.867 9.749 0.986 1.00 0.00 O ATOM 220 CB ILE A 16 8.121 9.979 -1.852 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.213 9.639 -2.869 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.579 11.157 -0.989 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.424 9.051 -2.142 1.00 0.00 C ATOM 0 H ILE A 16 6.907 7.796 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 16 8.757 8.538 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 16 7.204 10.247 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.834 8.926 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.505 10.534 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.764 12.023 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.803 11.399 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.496 10.889 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.201 8.809 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.808 9.779 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.127 8.145 -1.613 1.00 0.00 H new ATOM 235 N GLU A 17 5.535 8.566 -0.298 1.00 0.00 N ATOM 236 CA GLU A 17 4.368 8.825 0.591 1.00 0.00 C ATOM 237 C GLU A 17 3.174 7.990 0.124 1.00 0.00 C ATOM 238 O GLU A 17 3.022 7.709 -1.049 1.00 0.00 O ATOM 239 CB GLU A 17 4.005 10.310 0.536 1.00 0.00 C ATOM 240 CG GLU A 17 4.021 10.893 1.950 1.00 0.00 C ATOM 241 CD GLU A 17 2.663 11.528 2.258 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.701 10.789 2.383 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.609 12.741 2.364 1.00 0.00 O ATOM 0 H GLU A 17 5.338 7.988 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 17 4.624 8.551 1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.713 10.845 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.019 10.438 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.240 10.109 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.811 11.639 2.038 1.00 0.00 H new ATOM 250 N LEU A 18 2.325 7.591 1.031 1.00 0.00 N ATOM 251 CA LEU A 18 1.142 6.775 0.637 1.00 0.00 C ATOM 252 C LEU A 18 -0.140 7.528 0.999 1.00 0.00 C ATOM 253 O LEU A 18 -0.547 7.565 2.143 1.00 0.00 O ATOM 254 CB LEU A 18 1.176 5.438 1.380 1.00 0.00 C ATOM 255 CG LEU A 18 0.050 4.539 0.863 1.00 0.00 C ATOM 256 CD1 LEU A 18 0.552 3.728 -0.334 1.00 0.00 C ATOM 257 CD2 LEU A 18 -0.388 3.584 1.976 1.00 0.00 C ATOM 0 H LEU A 18 2.399 7.795 2.028 1.00 0.00 H new ATOM 0 HA LEU A 18 1.166 6.594 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.141 4.952 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.062 5.602 2.452 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.795 5.155 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.250 3.088 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.867 4.406 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.397 3.111 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.190 2.943 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.458 2.969 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.745 4.160 2.830 1.00 0.00 H new ATOM 269 N LEU A 19 -0.780 8.128 0.033 1.00 0.00 N ATOM 270 CA LEU A 19 -2.035 8.877 0.323 1.00 0.00 C ATOM 271 C LEU A 19 -3.236 7.941 0.171 1.00 0.00 C ATOM 272 O LEU A 19 -4.210 8.266 -0.478 1.00 0.00 O ATOM 273 CB LEU A 19 -2.171 10.044 -0.659 1.00 0.00 C ATOM 274 CG LEU A 19 -1.874 9.553 -2.077 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.793 10.269 -3.068 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.416 9.855 -2.425 1.00 0.00 C ATOM 0 H LEU A 19 -0.488 8.132 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.001 9.261 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.177 10.460 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.482 10.844 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.047 8.478 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.581 9.919 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.833 10.055 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.621 11.344 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.203 9.506 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.244 10.930 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.240 9.345 -1.719 1.00 0.00 H new ATOM 288 N VAL A 20 -3.174 6.780 0.765 1.00 0.00 N ATOM 289 CA VAL A 20 -4.313 5.825 0.653 1.00 0.00 C ATOM 290 C VAL A 20 -4.445 5.036 1.957 1.00 0.00 C ATOM 291 O VAL A 20 -3.578 5.073 2.808 1.00 0.00 O ATOM 292 CB VAL A 20 -4.055 4.858 -0.503 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.815 5.650 -1.789 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.821 4.009 -0.191 1.00 0.00 C ATOM 0 H VAL A 20 -2.385 6.452 1.322 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.234 6.377 0.466 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.921 4.209 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.631 4.960 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.693 6.256 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.949 6.300 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.636 3.319 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.956 4.659 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.991 3.443 0.725 1.00 0.00 H new ATOM 304 N LYS A 21 -5.525 4.322 2.123 1.00 0.00 N ATOM 305 CA LYS A 21 -5.712 3.532 3.373 1.00 0.00 C ATOM 306 C LYS A 21 -6.248 2.142 3.022 1.00 0.00 C ATOM 307 O LYS A 21 -6.608 1.871 1.894 1.00 0.00 O ATOM 308 CB LYS A 21 -6.711 4.247 4.284 1.00 0.00 C ATOM 309 CG LYS A 21 -5.954 5.032 5.357 1.00 0.00 C ATOM 310 CD LYS A 21 -6.091 6.532 5.085 1.00 0.00 C ATOM 311 CE LYS A 21 -4.714 7.193 5.158 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.844 8.645 4.848 1.00 0.00 N ATOM 0 H LYS A 21 -6.286 4.252 1.447 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.756 3.435 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.335 4.921 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.377 3.521 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.350 4.793 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.902 4.746 5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.532 6.695 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.762 6.985 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.286 7.059 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.033 6.719 4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.908 9.096 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.235 8.762 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.480 9.092 5.539 1.00 0.00 H new ATOM 326 N THR A 22 -6.305 1.259 3.981 1.00 0.00 N ATOM 327 CA THR A 22 -6.818 -0.112 3.702 1.00 0.00 C ATOM 328 C THR A 22 -8.348 -0.103 3.757 1.00 0.00 C ATOM 329 O THR A 22 -8.942 0.417 4.681 1.00 0.00 O ATOM 330 CB THR A 22 -6.275 -1.084 4.752 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.992 -0.649 5.180 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.167 -2.484 4.147 1.00 0.00 C ATOM 0 H THR A 22 -6.019 1.428 4.945 1.00 0.00 H new ATOM 0 HA THR A 22 -6.491 -0.429 2.712 1.00 0.00 H new ATOM 0 HB THR A 22 -6.952 -1.112 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.644 -1.270 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.780 -3.175 4.896 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.153 -2.817 3.821 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.491 -2.460 3.292 1.00 0.00 H new ATOM 340 N GLY A 23 -8.990 -0.675 2.775 1.00 0.00 N ATOM 341 CA GLY A 23 -10.480 -0.697 2.773 1.00 0.00 C ATOM 342 C GLY A 23 -11.013 0.654 2.294 1.00 0.00 C ATOM 343 O GLY A 23 -12.204 0.839 2.134 1.00 0.00 O ATOM 0 H GLY A 23 -8.548 -1.127 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.841 -1.493 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.852 -0.911 3.775 1.00 0.00 H new ATOM 347 N ASP A 24 -10.146 1.601 2.064 1.00 0.00 N ATOM 348 CA ASP A 24 -10.609 2.938 1.597 1.00 0.00 C ATOM 349 C ASP A 24 -10.905 2.878 0.096 1.00 0.00 C ATOM 350 O ASP A 24 -10.140 2.336 -0.676 1.00 0.00 O ATOM 351 CB ASP A 24 -9.517 3.978 1.860 1.00 0.00 C ATOM 352 CG ASP A 24 -9.696 4.563 3.262 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.749 3.789 4.203 1.00 0.00 O ATOM 354 OD2 ASP A 24 -9.777 5.775 3.370 1.00 0.00 O ATOM 0 H ASP A 24 -9.137 1.507 2.179 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.514 3.218 2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.533 3.518 1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.568 4.771 1.114 1.00 0.00 H new ATOM 359 N LEU A 25 -12.010 3.433 -0.321 1.00 0.00 N ATOM 360 CA LEU A 25 -12.354 3.407 -1.771 1.00 0.00 C ATOM 361 C LEU A 25 -11.623 4.544 -2.488 1.00 0.00 C ATOM 362 O LEU A 25 -11.698 5.690 -2.092 1.00 0.00 O ATOM 363 CB LEU A 25 -13.864 3.584 -1.940 1.00 0.00 C ATOM 364 CG LEU A 25 -14.224 3.513 -3.425 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.167 2.333 -3.666 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.916 4.813 -3.842 1.00 0.00 C ATOM 0 H LEU A 25 -12.689 3.903 0.279 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.050 2.452 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.396 2.808 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.177 4.542 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.317 3.378 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.424 2.282 -4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.675 1.407 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.075 2.467 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.174 4.765 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.824 4.947 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.244 5.654 -3.670 1.00 0.00 H new ATOM 378 N ILE A 26 -10.916 4.236 -3.539 1.00 0.00 N ATOM 379 CA ILE A 26 -10.181 5.294 -4.282 1.00 0.00 C ATOM 380 C ILE A 26 -11.074 5.840 -5.399 1.00 0.00 C ATOM 381 O ILE A 26 -12.245 5.527 -5.477 1.00 0.00 O ATOM 382 CB ILE A 26 -8.914 4.688 -4.886 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.353 3.628 -3.934 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.867 5.784 -5.096 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.028 3.096 -4.484 1.00 0.00 C ATOM 0 H ILE A 26 -10.816 3.293 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.912 6.106 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.156 4.230 -5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.201 4.057 -2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.066 2.811 -3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.965 5.348 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.263 6.541 -5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.625 6.245 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.629 2.342 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.194 2.651 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.316 3.916 -4.573 1.00 0.00 H new ATOM 397 N GLU A 27 -10.534 6.655 -6.261 1.00 0.00 N ATOM 398 CA GLU A 27 -11.356 7.218 -7.368 1.00 0.00 C ATOM 399 C GLU A 27 -10.508 7.307 -8.639 1.00 0.00 C ATOM 400 O GLU A 27 -9.363 7.713 -8.605 1.00 0.00 O ATOM 401 CB GLU A 27 -11.843 8.616 -6.980 1.00 0.00 C ATOM 402 CG GLU A 27 -13.373 8.643 -6.978 1.00 0.00 C ATOM 403 CD GLU A 27 -13.883 8.865 -8.402 1.00 0.00 C ATOM 404 OE1 GLU A 27 -13.223 9.576 -9.142 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.925 8.320 -8.730 1.00 0.00 O ATOM 0 H GLU A 27 -9.559 6.956 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.214 6.571 -7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.463 8.884 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.457 9.355 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.763 7.705 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.732 9.438 -6.324 1.00 0.00 H new ATOM 412 N VAL A 28 -11.059 6.930 -9.759 1.00 0.00 N ATOM 413 CA VAL A 28 -10.281 6.995 -11.029 1.00 0.00 C ATOM 414 C VAL A 28 -9.560 8.341 -11.117 1.00 0.00 C ATOM 415 O VAL A 28 -10.099 9.366 -10.748 1.00 0.00 O ATOM 416 CB VAL A 28 -11.233 6.847 -12.217 1.00 0.00 C ATOM 417 CG1 VAL A 28 -12.081 8.113 -12.351 1.00 0.00 C ATOM 418 CG2 VAL A 28 -10.421 6.641 -13.497 1.00 0.00 C ATOM 0 H VAL A 28 -12.013 6.580 -9.851 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.548 6.189 -11.048 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.884 5.988 -12.056 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.760 8.008 -13.197 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.659 8.262 -11.439 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.430 8.972 -12.512 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.098 6.535 -14.344 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.770 7.501 -13.657 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.815 5.740 -13.402 1.00 0.00 H new ATOM 428 N GLU A 29 -8.345 8.341 -11.604 1.00 0.00 N ATOM 429 CA GLU A 29 -7.570 9.613 -11.726 1.00 0.00 C ATOM 430 C GLU A 29 -6.908 9.951 -10.386 1.00 0.00 C ATOM 431 O GLU A 29 -5.758 10.339 -10.334 1.00 0.00 O ATOM 432 CB GLU A 29 -8.502 10.755 -12.140 1.00 0.00 C ATOM 433 CG GLU A 29 -9.496 10.250 -13.187 1.00 0.00 C ATOM 434 CD GLU A 29 -9.343 11.066 -14.472 1.00 0.00 C ATOM 435 OE1 GLU A 29 -9.441 12.280 -14.395 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.128 10.463 -15.512 1.00 0.00 O ATOM 0 H GLU A 29 -7.853 7.507 -11.925 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.799 9.485 -12.486 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.037 11.136 -11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.921 11.584 -12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.320 9.194 -13.391 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.514 10.336 -12.808 1.00 0.00 H new ATOM 443 N GLN A 30 -7.621 9.811 -9.301 1.00 0.00 N ATOM 444 CA GLN A 30 -7.023 10.128 -7.973 1.00 0.00 C ATOM 445 C GLN A 30 -5.645 9.474 -7.865 1.00 0.00 C ATOM 446 O GLN A 30 -5.468 8.317 -8.194 1.00 0.00 O ATOM 447 CB GLN A 30 -7.931 9.592 -6.863 1.00 0.00 C ATOM 448 CG GLN A 30 -8.188 10.696 -5.836 1.00 0.00 C ATOM 449 CD GLN A 30 -7.368 10.422 -4.574 1.00 0.00 C ATOM 450 OE1 GLN A 30 -6.280 10.939 -4.419 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.848 9.625 -3.659 1.00 0.00 N ATOM 0 H GLN A 30 -8.589 9.492 -9.277 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.921 11.208 -7.869 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.875 9.247 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.465 8.733 -6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.918 11.666 -6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.249 10.739 -5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.762 9.191 -3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.309 9.436 -2.814 1.00 0.00 H new ATOM 460 N GLY A 31 -4.664 10.203 -7.407 1.00 0.00 N ATOM 461 CA GLY A 31 -3.298 9.623 -7.280 1.00 0.00 C ATOM 462 C GLY A 31 -3.292 8.561 -6.180 1.00 0.00 C ATOM 463 O GLY A 31 -4.178 8.508 -5.350 1.00 0.00 O ATOM 0 H GLY A 31 -4.750 11.177 -7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.990 9.181 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.579 10.408 -7.046 1.00 0.00 H new ATOM 467 N LEU A 32 -2.300 7.713 -6.166 1.00 0.00 N ATOM 468 CA LEU A 32 -2.237 6.655 -5.119 1.00 0.00 C ATOM 469 C LEU A 32 -0.886 6.725 -4.404 1.00 0.00 C ATOM 470 O LEU A 32 -0.797 6.541 -3.206 1.00 0.00 O ATOM 471 CB LEU A 32 -2.399 5.281 -5.772 1.00 0.00 C ATOM 472 CG LEU A 32 -3.284 4.399 -4.891 1.00 0.00 C ATOM 473 CD1 LEU A 32 -3.819 3.225 -5.716 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.461 3.863 -3.718 1.00 0.00 C ATOM 0 H LEU A 32 -1.530 7.707 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.038 6.810 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.843 5.387 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.424 4.814 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.120 4.987 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.450 2.596 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.405 3.605 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.984 2.636 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.091 3.234 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.626 3.275 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.079 4.698 -3.130 1.00 0.00 H new ATOM 486 N VAL A 33 0.168 6.990 -5.128 1.00 0.00 N ATOM 487 CA VAL A 33 1.510 7.072 -4.486 1.00 0.00 C ATOM 488 C VAL A 33 2.454 7.884 -5.376 1.00 0.00 C ATOM 489 O VAL A 33 2.234 8.027 -6.562 1.00 0.00 O ATOM 490 CB VAL A 33 2.073 5.661 -4.300 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.130 4.847 -3.413 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.202 4.980 -5.664 1.00 0.00 C ATOM 0 H VAL A 33 0.157 7.153 -6.135 1.00 0.00 H new ATOM 0 HA VAL A 33 1.419 7.559 -3.515 1.00 0.00 H new ATOM 0 HB VAL A 33 3.054 5.721 -3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.531 3.842 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.036 5.331 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.149 4.787 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.603 3.975 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.221 4.920 -6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.874 5.559 -6.297 1.00 0.00 H new ATOM 502 N VAL A 34 3.502 8.417 -4.812 1.00 0.00 N ATOM 503 CA VAL A 34 4.458 9.219 -5.624 1.00 0.00 C ATOM 504 C VAL A 34 5.867 8.641 -5.472 1.00 0.00 C ATOM 505 O VAL A 34 6.560 8.914 -4.512 1.00 0.00 O ATOM 506 CB VAL A 34 4.447 10.670 -5.139 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.450 11.489 -5.952 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.045 11.256 -5.322 1.00 0.00 C ATOM 0 H VAL A 34 3.737 8.332 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 34 4.162 9.184 -6.673 1.00 0.00 H new ATOM 0 HB VAL A 34 4.722 10.703 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.441 12.523 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.449 11.072 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.176 11.457 -7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.035 12.290 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.772 11.223 -6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.329 10.673 -4.743 1.00 0.00 H new ATOM 518 N LEU A 35 6.294 7.843 -6.411 1.00 0.00 N ATOM 519 CA LEU A 35 7.657 7.247 -6.320 1.00 0.00 C ATOM 520 C LEU A 35 8.666 8.170 -7.008 1.00 0.00 C ATOM 521 O LEU A 35 8.393 8.740 -8.046 1.00 0.00 O ATOM 522 CB LEU A 35 7.663 5.881 -7.008 1.00 0.00 C ATOM 523 CG LEU A 35 6.642 4.965 -6.332 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.460 4.732 -7.275 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.301 3.624 -6.003 1.00 0.00 C ATOM 0 H LEU A 35 5.758 7.578 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 35 7.931 7.127 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.423 5.993 -8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.658 5.438 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 35 6.287 5.433 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.733 4.079 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.990 5.686 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.814 4.264 -8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.574 2.970 -5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.655 3.158 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.143 3.788 -5.331 1.00 0.00 H new ATOM 537 N GLU A 36 9.831 8.320 -6.439 1.00 0.00 N ATOM 538 CA GLU A 36 10.855 9.205 -7.062 1.00 0.00 C ATOM 539 C GLU A 36 12.163 8.429 -7.231 1.00 0.00 C ATOM 540 O GLU A 36 12.674 7.843 -6.297 1.00 0.00 O ATOM 541 CB GLU A 36 11.095 10.419 -6.162 1.00 0.00 C ATOM 542 CG GLU A 36 12.309 11.199 -6.672 1.00 0.00 C ATOM 543 CD GLU A 36 12.160 12.675 -6.300 1.00 0.00 C ATOM 544 OE1 GLU A 36 11.164 13.265 -6.685 1.00 0.00 O ATOM 545 OE2 GLU A 36 13.045 13.191 -5.637 1.00 0.00 O ATOM 0 H GLU A 36 10.117 7.868 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 36 10.502 9.540 -8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.214 11.060 -6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.262 10.096 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.223 10.794 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.395 11.092 -7.753 1.00 0.00 H new ATOM 552 N SER A 37 12.709 8.421 -8.416 1.00 0.00 N ATOM 553 CA SER A 37 13.983 7.684 -8.644 1.00 0.00 C ATOM 554 C SER A 37 15.144 8.679 -8.706 1.00 0.00 C ATOM 555 O SER A 37 14.950 9.877 -8.671 1.00 0.00 O ATOM 556 CB SER A 37 13.899 6.915 -9.963 1.00 0.00 C ATOM 557 OG SER A 37 15.160 6.962 -10.618 1.00 0.00 O ATOM 0 H SER A 37 12.328 8.893 -9.236 1.00 0.00 H new ATOM 0 HA SER A 37 14.148 6.983 -7.826 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.612 5.880 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.129 7.349 -10.601 1.00 0.00 H new ATOM 0 HG SER A 37 15.108 6.468 -11.463 1.00 0.00 H new ATOM 563 N ALA A 38 16.352 8.191 -8.799 1.00 0.00 N ATOM 564 CA ALA A 38 17.524 9.109 -8.863 1.00 0.00 C ATOM 565 C ALA A 38 17.226 10.247 -9.842 1.00 0.00 C ATOM 566 O ALA A 38 17.650 11.369 -9.651 1.00 0.00 O ATOM 567 CB ALA A 38 18.752 8.333 -9.341 1.00 0.00 C ATOM 0 H ALA A 38 16.577 7.197 -8.833 1.00 0.00 H new ATOM 0 HA ALA A 38 17.718 9.523 -7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.610 9.003 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.963 7.521 -8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.559 7.920 -10.331 1.00 0.00 H new ATOM 573 N LYS A 39 16.499 9.967 -10.889 1.00 0.00 N ATOM 574 CA LYS A 39 16.176 11.032 -11.878 1.00 0.00 C ATOM 575 C LYS A 39 14.900 10.657 -12.635 1.00 0.00 C ATOM 576 O LYS A 39 14.859 10.673 -13.849 1.00 0.00 O ATOM 577 CB LYS A 39 17.332 11.176 -12.870 1.00 0.00 C ATOM 578 CG LYS A 39 17.495 9.874 -13.657 1.00 0.00 C ATOM 579 CD LYS A 39 18.978 9.511 -13.742 1.00 0.00 C ATOM 580 CE LYS A 39 19.183 8.455 -14.829 1.00 0.00 C ATOM 581 NZ LYS A 39 20.600 8.485 -15.289 1.00 0.00 N ATOM 0 H LYS A 39 16.115 9.046 -11.102 1.00 0.00 H new ATOM 0 HA LYS A 39 16.025 11.977 -11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.139 12.004 -13.552 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.254 11.410 -12.338 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.941 9.071 -13.171 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.080 9.988 -14.658 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.568 10.399 -13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.326 9.132 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.936 7.466 -14.442 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.513 8.646 -15.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.740 7.767 -16.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.820 9.426 -15.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.230 8.283 -14.486 1.00 0.00 H new ATOM 595 N ALA A 40 13.858 10.317 -11.926 1.00 0.00 N ATOM 596 CA ALA A 40 12.586 9.940 -12.606 1.00 0.00 C ATOM 597 C ALA A 40 11.419 10.107 -11.631 1.00 0.00 C ATOM 598 O ALA A 40 11.080 9.204 -10.892 1.00 0.00 O ATOM 599 CB ALA A 40 12.665 8.482 -13.062 1.00 0.00 C ATOM 0 H ALA A 40 13.832 10.284 -10.907 1.00 0.00 H new ATOM 0 HA ALA A 40 12.431 10.584 -13.472 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.735 8.205 -13.559 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.497 8.362 -13.756 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.819 7.838 -12.196 1.00 0.00 H new ATOM 605 N SER A 41 10.800 11.256 -11.622 1.00 0.00 N ATOM 606 CA SER A 41 9.656 11.479 -10.694 1.00 0.00 C ATOM 607 C SER A 41 8.344 11.174 -11.421 1.00 0.00 C ATOM 608 O SER A 41 8.097 11.659 -12.506 1.00 0.00 O ATOM 609 CB SER A 41 9.653 12.935 -10.228 1.00 0.00 C ATOM 610 OG SER A 41 10.937 13.502 -10.455 1.00 0.00 O ATOM 0 H SER A 41 11.037 12.050 -12.217 1.00 0.00 H new ATOM 0 HA SER A 41 9.755 10.822 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.892 13.500 -10.767 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.400 12.990 -9.169 1.00 0.00 H new ATOM 0 HG SER A 41 10.939 14.436 -10.159 1.00 0.00 H new ATOM 616 N MET A 42 7.500 10.373 -10.829 1.00 0.00 N ATOM 617 CA MET A 42 6.206 10.038 -11.486 1.00 0.00 C ATOM 618 C MET A 42 5.141 9.784 -10.417 1.00 0.00 C ATOM 619 O MET A 42 5.426 9.766 -9.236 1.00 0.00 O ATOM 620 CB MET A 42 6.378 8.781 -12.343 1.00 0.00 C ATOM 621 CG MET A 42 6.551 9.182 -13.809 1.00 0.00 C ATOM 622 SD MET A 42 6.093 7.791 -14.872 1.00 0.00 S ATOM 623 CE MET A 42 7.766 7.163 -15.158 1.00 0.00 C ATOM 0 H MET A 42 7.651 9.937 -9.919 1.00 0.00 H new ATOM 0 HA MET A 42 5.895 10.869 -12.119 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.245 8.214 -12.005 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.510 8.131 -12.233 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.929 10.048 -14.036 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.584 9.473 -13.998 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.720 6.286 -15.803 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.367 7.935 -15.638 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.220 6.889 -14.205 1.00 0.00 H new ATOM 633 N GLU A 43 3.916 9.585 -10.820 1.00 0.00 N ATOM 634 CA GLU A 43 2.835 9.333 -9.826 1.00 0.00 C ATOM 635 C GLU A 43 2.078 8.060 -10.209 1.00 0.00 C ATOM 636 O GLU A 43 2.188 7.570 -11.315 1.00 0.00 O ATOM 637 CB GLU A 43 1.868 10.519 -9.813 1.00 0.00 C ATOM 638 CG GLU A 43 2.619 11.786 -9.400 1.00 0.00 C ATOM 639 CD GLU A 43 3.078 12.538 -10.651 1.00 0.00 C ATOM 640 OE1 GLU A 43 3.171 11.912 -11.694 1.00 0.00 O ATOM 641 OE2 GLU A 43 3.329 13.727 -10.545 1.00 0.00 O ATOM 0 H GLU A 43 3.617 9.586 -11.795 1.00 0.00 H new ATOM 0 HA GLU A 43 3.272 9.211 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.425 10.652 -10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.049 10.327 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.973 12.424 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.479 11.527 -8.783 1.00 0.00 H new ATOM 648 N VAL A 44 1.311 7.519 -9.302 1.00 0.00 N ATOM 649 CA VAL A 44 0.548 6.278 -9.616 1.00 0.00 C ATOM 650 C VAL A 44 -0.814 6.328 -8.917 1.00 0.00 C ATOM 651 O VAL A 44 -0.921 5.998 -7.752 1.00 0.00 O ATOM 652 CB VAL A 44 1.331 5.061 -9.119 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.814 3.801 -9.815 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.816 5.248 -9.440 1.00 0.00 C ATOM 0 H VAL A 44 1.180 7.882 -8.358 1.00 0.00 H new ATOM 0 HA VAL A 44 0.402 6.202 -10.693 1.00 0.00 H new ATOM 0 HB VAL A 44 1.200 4.959 -8.042 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.372 2.934 -9.461 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.244 3.668 -9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.945 3.901 -10.893 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.376 4.382 -9.087 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.945 5.349 -10.518 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.185 6.146 -8.944 1.00 0.00 H new ATOM 664 N PRO A 45 -1.818 6.742 -9.650 1.00 0.00 N ATOM 665 CA PRO A 45 -3.190 6.849 -9.126 1.00 0.00 C ATOM 666 C PRO A 45 -3.846 5.468 -9.057 1.00 0.00 C ATOM 667 O PRO A 45 -3.200 4.452 -9.218 1.00 0.00 O ATOM 668 CB PRO A 45 -3.899 7.738 -10.149 1.00 0.00 C ATOM 669 CG PRO A 45 -3.088 7.621 -11.461 1.00 0.00 C ATOM 670 CD PRO A 45 -1.680 7.140 -11.066 1.00 0.00 C ATOM 0 HA PRO A 45 -3.231 7.255 -8.115 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.929 7.414 -10.298 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.937 8.772 -9.806 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.560 6.917 -12.147 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.040 8.582 -11.974 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.356 6.303 -11.685 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.940 7.931 -11.187 1.00 0.00 H new ATOM 678 N SER A 46 -5.127 5.426 -8.821 1.00 0.00 N ATOM 679 CA SER A 46 -5.830 4.115 -8.741 1.00 0.00 C ATOM 680 C SER A 46 -6.237 3.667 -10.151 1.00 0.00 C ATOM 681 O SER A 46 -6.889 4.404 -10.863 1.00 0.00 O ATOM 682 CB SER A 46 -7.082 4.263 -7.874 1.00 0.00 C ATOM 683 OG SER A 46 -7.636 2.977 -7.628 1.00 0.00 O ATOM 0 H SER A 46 -5.719 6.244 -8.680 1.00 0.00 H new ATOM 0 HA SER A 46 -5.166 3.371 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.831 4.750 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.813 4.897 -8.375 1.00 0.00 H new ATOM 0 HG SER A 46 -8.488 2.891 -8.105 1.00 0.00 H new ATOM 689 N PRO A 47 -5.845 2.470 -10.516 1.00 0.00 N ATOM 690 CA PRO A 47 -6.163 1.903 -11.839 1.00 0.00 C ATOM 691 C PRO A 47 -7.605 1.388 -11.866 1.00 0.00 C ATOM 692 O PRO A 47 -8.087 0.915 -12.876 1.00 0.00 O ATOM 693 CB PRO A 47 -5.168 0.749 -11.984 1.00 0.00 C ATOM 694 CG PRO A 47 -4.739 0.360 -10.549 1.00 0.00 C ATOM 695 CD PRO A 47 -5.051 1.572 -9.651 1.00 0.00 C ATOM 0 HA PRO A 47 -6.085 2.630 -12.648 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.627 -0.097 -12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.306 1.052 -12.579 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.280 -0.523 -10.209 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.677 0.116 -10.515 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.611 1.276 -8.764 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.138 2.057 -9.305 1.00 0.00 H new ATOM 703 N LYS A 48 -8.293 1.477 -10.763 1.00 0.00 N ATOM 704 CA LYS A 48 -9.703 0.993 -10.722 1.00 0.00 C ATOM 705 C LYS A 48 -10.427 1.634 -9.536 1.00 0.00 C ATOM 706 O LYS A 48 -9.969 1.577 -8.412 1.00 0.00 O ATOM 707 CB LYS A 48 -9.715 -0.529 -10.566 1.00 0.00 C ATOM 708 CG LYS A 48 -10.996 -1.095 -11.182 1.00 0.00 C ATOM 709 CD LYS A 48 -10.957 -0.914 -12.700 1.00 0.00 C ATOM 710 CE LYS A 48 -11.806 -1.998 -13.366 1.00 0.00 C ATOM 711 NZ LYS A 48 -12.638 -1.388 -14.441 1.00 0.00 N ATOM 0 H LYS A 48 -7.941 1.864 -9.887 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.209 1.267 -11.648 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.842 -0.962 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.657 -0.798 -9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.095 -2.152 -10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.867 -0.587 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.333 0.073 -12.969 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.929 -0.972 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.163 -2.772 -13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.445 -2.480 -12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.215 -2.125 -14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.261 -0.664 -14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.019 -0.948 -15.152 1.00 0.00 H new ATOM 725 N ALA A 49 -11.555 2.243 -9.776 1.00 0.00 N ATOM 726 CA ALA A 49 -12.308 2.887 -8.662 1.00 0.00 C ATOM 727 C ALA A 49 -12.965 1.807 -7.799 1.00 0.00 C ATOM 728 O ALA A 49 -14.093 1.420 -8.024 1.00 0.00 O ATOM 729 CB ALA A 49 -13.387 3.804 -9.239 1.00 0.00 C ATOM 0 H ALA A 49 -11.989 2.323 -10.696 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.622 3.473 -8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.938 4.275 -8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.920 4.573 -9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.074 3.218 -9.850 1.00 0.00 H new ATOM 735 N GLY A 50 -12.266 1.319 -6.810 1.00 0.00 N ATOM 736 CA GLY A 50 -12.851 0.266 -5.933 1.00 0.00 C ATOM 737 C GLY A 50 -12.355 0.462 -4.499 1.00 0.00 C ATOM 738 O GLY A 50 -12.015 1.555 -4.094 1.00 0.00 O ATOM 0 H GLY A 50 -11.316 1.604 -6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.939 0.317 -5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.568 -0.722 -6.295 1.00 0.00 H new ATOM 742 N VAL A 51 -12.310 -0.591 -3.728 1.00 0.00 N ATOM 743 CA VAL A 51 -11.835 -0.463 -2.322 1.00 0.00 C ATOM 744 C VAL A 51 -10.456 -1.113 -2.190 1.00 0.00 C ATOM 745 O VAL A 51 -10.120 -2.030 -2.912 1.00 0.00 O ATOM 746 CB VAL A 51 -12.821 -1.161 -1.384 1.00 0.00 C ATOM 747 CG1 VAL A 51 -13.014 -2.611 -1.834 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.270 -1.140 0.044 1.00 0.00 C ATOM 0 H VAL A 51 -12.581 -1.533 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.767 0.592 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.778 -0.641 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.717 -3.109 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.407 -2.627 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.056 -3.131 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.973 -1.637 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.312 -1.660 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.132 -0.108 0.366 1.00 0.00 H new ATOM 758 N VAL A 52 -9.653 -0.645 -1.274 1.00 0.00 N ATOM 759 CA VAL A 52 -8.296 -1.237 -1.098 1.00 0.00 C ATOM 760 C VAL A 52 -8.414 -2.580 -0.375 1.00 0.00 C ATOM 761 O VAL A 52 -8.960 -2.669 0.706 1.00 0.00 O ATOM 762 CB VAL A 52 -7.431 -0.287 -0.269 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.142 -0.999 0.144 1.00 0.00 C ATOM 764 CG2 VAL A 52 -7.084 0.947 -1.106 1.00 0.00 C ATOM 0 H VAL A 52 -9.878 0.122 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.837 -1.390 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.979 0.019 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.525 -0.322 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.387 -1.879 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.594 -1.305 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.467 1.625 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.536 0.640 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.001 1.456 -1.402 1.00 0.00 H new ATOM 774 N LYS A 53 -7.906 -3.627 -0.966 1.00 0.00 N ATOM 775 CA LYS A 53 -7.990 -4.964 -0.313 1.00 0.00 C ATOM 776 C LYS A 53 -6.875 -5.095 0.728 1.00 0.00 C ATOM 777 O LYS A 53 -7.127 -5.301 1.898 1.00 0.00 O ATOM 778 CB LYS A 53 -7.833 -6.059 -1.371 1.00 0.00 C ATOM 779 CG LYS A 53 -9.021 -7.019 -1.290 1.00 0.00 C ATOM 780 CD LYS A 53 -9.147 -7.786 -2.608 1.00 0.00 C ATOM 781 CE LYS A 53 -8.116 -8.916 -2.642 1.00 0.00 C ATOM 782 NZ LYS A 53 -8.447 -9.923 -1.595 1.00 0.00 N ATOM 0 H LYS A 53 -7.437 -3.614 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.958 -5.069 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.778 -5.614 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.901 -6.602 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.884 -7.716 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.938 -6.464 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.153 -8.194 -2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.991 -7.111 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.109 -9.387 -3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.116 -8.516 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.083 -10.854 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.010 -9.643 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.479 -9.976 -1.478 1.00 0.00 H new ATOM 796 N SER A 54 -5.645 -4.976 0.311 1.00 0.00 N ATOM 797 CA SER A 54 -4.516 -5.094 1.278 1.00 0.00 C ATOM 798 C SER A 54 -3.257 -4.472 0.670 1.00 0.00 C ATOM 799 O SER A 54 -2.848 -4.816 -0.420 1.00 0.00 O ATOM 800 CB SER A 54 -4.258 -6.570 1.584 1.00 0.00 C ATOM 801 OG SER A 54 -3.551 -7.158 0.499 1.00 0.00 O ATOM 0 H SER A 54 -5.372 -4.802 -0.656 1.00 0.00 H new ATOM 0 HA SER A 54 -4.771 -4.571 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.682 -6.667 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.202 -7.091 1.743 1.00 0.00 H new ATOM 0 HG SER A 54 -3.432 -6.494 -0.212 1.00 0.00 H new ATOM 807 N VAL A 55 -2.640 -3.557 1.368 1.00 0.00 N ATOM 808 CA VAL A 55 -1.408 -2.914 0.828 1.00 0.00 C ATOM 809 C VAL A 55 -0.205 -3.823 1.082 1.00 0.00 C ATOM 810 O VAL A 55 0.052 -4.233 2.197 1.00 0.00 O ATOM 811 CB VAL A 55 -1.187 -1.569 1.524 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.068 -0.902 0.959 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.398 -0.665 1.278 1.00 0.00 C ATOM 0 H VAL A 55 -2.935 -3.228 2.287 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.522 -2.754 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.062 -1.730 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.225 0.056 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.931 -1.546 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.057 -0.740 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.243 0.294 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.521 -0.505 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.294 -1.139 1.679 1.00 0.00 H new ATOM 823 N SER A 56 0.536 -4.143 0.056 1.00 0.00 N ATOM 824 CA SER A 56 1.722 -5.026 0.239 1.00 0.00 C ATOM 825 C SER A 56 2.998 -4.182 0.197 1.00 0.00 C ATOM 826 O SER A 56 4.061 -4.664 -0.140 1.00 0.00 O ATOM 827 CB SER A 56 1.760 -6.064 -0.883 1.00 0.00 C ATOM 828 OG SER A 56 2.857 -6.943 -0.671 1.00 0.00 O ATOM 0 H SER A 56 0.371 -3.831 -0.901 1.00 0.00 H new ATOM 0 HA SER A 56 1.654 -5.533 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.827 -6.627 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.857 -5.569 -1.849 1.00 0.00 H new ATOM 0 HG SER A 56 3.647 -6.424 -0.414 1.00 0.00 H new ATOM 834 N VAL A 57 2.901 -2.926 0.537 1.00 0.00 N ATOM 835 CA VAL A 57 4.109 -2.054 0.518 1.00 0.00 C ATOM 836 C VAL A 57 3.982 -0.984 1.604 1.00 0.00 C ATOM 837 O VAL A 57 2.916 -0.754 2.140 1.00 0.00 O ATOM 838 CB VAL A 57 4.229 -1.382 -0.851 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.605 -2.427 -1.902 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.889 -0.744 -1.224 1.00 0.00 C ATOM 0 H VAL A 57 2.038 -2.466 0.827 1.00 0.00 H new ATOM 0 HA VAL A 57 4.997 -2.657 0.706 1.00 0.00 H new ATOM 0 HB VAL A 57 5.001 -0.613 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.690 -1.948 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.559 -2.883 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.834 -3.196 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.973 -0.265 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.118 -1.513 -1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.620 0.001 -0.476 1.00 0.00 H new ATOM 850 N LYS A 58 5.061 -0.328 1.935 1.00 0.00 N ATOM 851 CA LYS A 58 4.998 0.725 2.988 1.00 0.00 C ATOM 852 C LYS A 58 5.722 1.981 2.499 1.00 0.00 C ATOM 853 O LYS A 58 6.478 1.944 1.548 1.00 0.00 O ATOM 854 CB LYS A 58 5.673 0.212 4.262 1.00 0.00 C ATOM 855 CG LYS A 58 4.941 0.768 5.485 1.00 0.00 C ATOM 856 CD LYS A 58 5.314 -0.055 6.720 1.00 0.00 C ATOM 857 CE LYS A 58 4.115 -0.126 7.668 1.00 0.00 C ATOM 858 NZ LYS A 58 4.584 -0.474 9.038 1.00 0.00 N ATOM 0 H LYS A 58 5.982 -0.476 1.522 1.00 0.00 H new ATOM 0 HA LYS A 58 3.956 0.965 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.659 -0.878 4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.719 0.518 4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.208 1.814 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.864 0.734 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.616 -1.059 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.166 0.397 7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.593 0.831 7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.403 -0.872 7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.769 -0.522 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.064 -1.397 9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.247 0.253 9.373 1.00 0.00 H new ATOM 872 N LEU A 59 5.499 3.094 3.144 1.00 0.00 N ATOM 873 CA LEU A 59 6.175 4.351 2.717 1.00 0.00 C ATOM 874 C LEU A 59 7.674 4.245 3.001 1.00 0.00 C ATOM 875 O LEU A 59 8.087 3.756 4.034 1.00 0.00 O ATOM 876 CB LEU A 59 5.591 5.533 3.493 1.00 0.00 C ATOM 877 CG LEU A 59 5.563 5.201 4.987 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.524 6.127 5.734 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.144 5.398 5.524 1.00 0.00 C ATOM 0 H LEU A 59 4.878 3.186 3.948 1.00 0.00 H new ATOM 0 HA LEU A 59 6.017 4.504 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.190 6.427 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.583 5.751 3.139 1.00 0.00 H new ATOM 0 HG LEU A 59 5.869 4.165 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.504 5.891 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.535 5.988 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.219 7.163 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.122 5.162 6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.839 6.434 5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.459 4.738 4.992 1.00 0.00 H new ATOM 891 N GLY A 60 8.493 4.697 2.092 1.00 0.00 N ATOM 892 CA GLY A 60 9.965 4.618 2.311 1.00 0.00 C ATOM 893 C GLY A 60 10.500 3.315 1.713 1.00 0.00 C ATOM 894 O GLY A 60 11.682 3.170 1.474 1.00 0.00 O ATOM 0 H GLY A 60 8.207 5.117 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.459 5.473 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.188 4.660 3.377 1.00 0.00 H new ATOM 898 N ASP A 61 9.637 2.367 1.471 1.00 0.00 N ATOM 899 CA ASP A 61 10.095 1.074 0.889 1.00 0.00 C ATOM 900 C ASP A 61 10.217 1.214 -0.629 1.00 0.00 C ATOM 901 O ASP A 61 9.433 1.889 -1.265 1.00 0.00 O ATOM 902 CB ASP A 61 9.078 -0.021 1.220 1.00 0.00 C ATOM 903 CG ASP A 61 9.004 -0.210 2.735 1.00 0.00 C ATOM 904 OD1 ASP A 61 8.636 0.737 3.413 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.316 -1.296 3.194 1.00 0.00 O ATOM 0 H ASP A 61 8.635 2.432 1.651 1.00 0.00 H new ATOM 0 HA ASP A 61 11.065 0.809 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.097 0.249 0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.366 -0.956 0.740 1.00 0.00 H new ATOM 910 N LYS A 62 11.196 0.581 -1.216 1.00 0.00 N ATOM 911 CA LYS A 62 11.366 0.679 -2.693 1.00 0.00 C ATOM 912 C LYS A 62 10.837 -0.596 -3.352 1.00 0.00 C ATOM 913 O LYS A 62 11.076 -1.693 -2.887 1.00 0.00 O ATOM 914 CB LYS A 62 12.849 0.849 -3.026 1.00 0.00 C ATOM 915 CG LYS A 62 13.665 -0.212 -2.285 1.00 0.00 C ATOM 916 CD LYS A 62 14.523 0.462 -1.212 1.00 0.00 C ATOM 917 CE LYS A 62 15.994 0.410 -1.628 1.00 0.00 C ATOM 918 NZ LYS A 62 16.495 -0.988 -1.512 1.00 0.00 N ATOM 0 H LYS A 62 11.885 0.001 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 62 10.810 1.539 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.004 0.757 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.185 1.846 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.999 -0.944 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.300 -0.753 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.209 1.497 -1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.387 -0.040 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.106 0.763 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.585 1.073 -0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.531 -0.979 -1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.081 -1.437 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.223 -1.526 -2.360 1.00 0.00 H new ATOM 932 N LEU A 63 10.119 -0.461 -4.433 1.00 0.00 N ATOM 933 CA LEU A 63 9.576 -1.665 -5.122 1.00 0.00 C ATOM 934 C LEU A 63 10.280 -1.843 -6.468 1.00 0.00 C ATOM 935 O LEU A 63 11.115 -1.049 -6.853 1.00 0.00 O ATOM 936 CB LEU A 63 8.074 -1.488 -5.351 1.00 0.00 C ATOM 937 CG LEU A 63 7.310 -1.948 -4.107 1.00 0.00 C ATOM 938 CD1 LEU A 63 7.402 -3.469 -3.984 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.925 -1.299 -2.865 1.00 0.00 C ATOM 0 H LEU A 63 9.885 0.431 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 63 9.747 -2.546 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.848 -0.443 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.757 -2.065 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 63 6.264 -1.654 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.858 -3.796 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.966 -3.933 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.448 -3.764 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.382 -1.625 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.971 -1.595 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.860 -0.214 -2.951 1.00 0.00 H new ATOM 951 N LYS A 64 9.951 -2.881 -7.188 1.00 0.00 N ATOM 952 CA LYS A 64 10.602 -3.109 -8.508 1.00 0.00 C ATOM 953 C LYS A 64 9.557 -3.592 -9.515 1.00 0.00 C ATOM 954 O LYS A 64 8.570 -4.203 -9.155 1.00 0.00 O ATOM 955 CB LYS A 64 11.695 -4.170 -8.361 1.00 0.00 C ATOM 956 CG LYS A 64 12.912 -3.770 -9.198 1.00 0.00 C ATOM 957 CD LYS A 64 14.159 -4.464 -8.649 1.00 0.00 C ATOM 958 CE LYS A 64 14.368 -5.791 -9.381 1.00 0.00 C ATOM 959 NZ LYS A 64 15.015 -5.535 -10.699 1.00 0.00 N ATOM 0 H LYS A 64 9.259 -3.581 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 64 11.044 -2.177 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.979 -4.272 -7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.320 -5.141 -8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.757 -4.048 -10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.044 -2.688 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.031 -3.824 -8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.049 -4.640 -7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.990 -6.455 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.412 -6.294 -9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.827 -6.333 -11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.629 -4.662 -11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.041 -5.431 -10.568 1.00 0.00 H new ATOM 973 N GLU A 65 9.763 -3.324 -10.775 1.00 0.00 N ATOM 974 CA GLU A 65 8.782 -3.768 -11.802 1.00 0.00 C ATOM 975 C GLU A 65 8.363 -5.211 -11.518 1.00 0.00 C ATOM 976 O GLU A 65 9.171 -6.042 -11.153 1.00 0.00 O ATOM 977 CB GLU A 65 9.424 -3.684 -13.189 1.00 0.00 C ATOM 978 CG GLU A 65 8.976 -2.396 -13.883 1.00 0.00 C ATOM 979 CD GLU A 65 9.493 -2.385 -15.323 1.00 0.00 C ATOM 980 OE1 GLU A 65 9.110 -3.265 -16.076 1.00 0.00 O ATOM 981 OE2 GLU A 65 10.263 -1.497 -15.648 1.00 0.00 O ATOM 0 H GLU A 65 10.570 -2.816 -11.137 1.00 0.00 H new ATOM 0 HA GLU A 65 7.904 -3.124 -11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.510 -3.703 -13.100 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.138 -4.550 -13.786 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.888 -2.326 -13.875 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.355 -1.529 -13.343 1.00 0.00 H new ATOM 988 N GLY A 66 7.106 -5.518 -11.685 1.00 0.00 N ATOM 989 CA GLY A 66 6.637 -6.910 -11.427 1.00 0.00 C ATOM 990 C GLY A 66 6.271 -7.064 -9.949 1.00 0.00 C ATOM 991 O GLY A 66 5.228 -7.587 -9.610 1.00 0.00 O ATOM 0 H GLY A 66 6.383 -4.866 -11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.772 -7.134 -12.051 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.417 -7.623 -11.695 1.00 0.00 H new ATOM 995 N ASP A 67 7.122 -6.616 -9.068 1.00 0.00 N ATOM 996 CA ASP A 67 6.822 -6.740 -7.613 1.00 0.00 C ATOM 997 C ASP A 67 5.403 -6.238 -7.339 1.00 0.00 C ATOM 998 O ASP A 67 5.023 -5.164 -7.758 1.00 0.00 O ATOM 999 CB ASP A 67 7.824 -5.905 -6.813 1.00 0.00 C ATOM 1000 CG ASP A 67 9.222 -6.509 -6.956 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.483 -7.112 -7.984 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.009 -6.358 -6.035 1.00 0.00 O ATOM 0 H ASP A 67 8.011 -6.170 -9.292 1.00 0.00 H new ATOM 0 HA ASP A 67 6.900 -7.785 -7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.823 -4.875 -7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.534 -5.878 -5.763 1.00 0.00 H new ATOM 1007 N ALA A 68 4.617 -7.010 -6.639 1.00 0.00 N ATOM 1008 CA ALA A 68 3.222 -6.577 -6.340 1.00 0.00 C ATOM 1009 C ALA A 68 3.252 -5.272 -5.541 1.00 0.00 C ATOM 1010 O ALA A 68 4.258 -4.907 -4.967 1.00 0.00 O ATOM 1011 CB ALA A 68 2.517 -7.661 -5.520 1.00 0.00 C ATOM 0 H ALA A 68 4.880 -7.920 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 68 2.683 -6.418 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.497 -7.346 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.495 -8.591 -6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.056 -7.819 -4.586 1.00 0.00 H new ATOM 1017 N ILE A 69 2.155 -4.566 -5.502 1.00 0.00 N ATOM 1018 CA ILE A 69 2.119 -3.285 -4.743 1.00 0.00 C ATOM 1019 C ILE A 69 0.831 -3.216 -3.920 1.00 0.00 C ATOM 1020 O ILE A 69 0.858 -3.041 -2.719 1.00 0.00 O ATOM 1021 CB ILE A 69 2.163 -2.112 -5.722 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.362 -2.274 -6.658 1.00 0.00 C ATOM 1023 CG2 ILE A 69 2.297 -0.802 -4.944 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.656 -2.039 -5.878 1.00 0.00 C ATOM 0 H ILE A 69 1.282 -4.822 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 69 2.979 -3.233 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 69 1.244 -2.094 -6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.364 -3.273 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.290 -1.567 -7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.328 0.034 -5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.443 -0.686 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.216 -0.820 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.510 -2.155 -6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.653 -1.031 -5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.729 -2.764 -5.067 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.298 -3.355 -4.560 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.589 -3.299 -3.817 1.00 0.00 C ATOM 1038 C ILE A 70 -2.666 -4.039 -4.613 1.00 0.00 C ATOM 1039 O ILE A 70 -2.391 -4.645 -5.630 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.006 -1.839 -3.627 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.275 -1.204 -4.993 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -0.884 -1.074 -2.922 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.243 -0.031 -4.830 1.00 0.00 C ATOM 0 H ILE A 70 -0.382 -3.505 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.469 -3.771 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.911 -1.796 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.341 -0.859 -5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.696 -1.944 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.182 -0.034 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.691 -1.526 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.021 -1.117 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.434 0.421 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.181 -0.389 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.805 0.713 -4.165 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.889 -3.996 -4.161 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.979 -4.699 -4.894 1.00 0.00 C ATOM 1057 C GLU A 71 -6.268 -3.880 -4.800 1.00 0.00 C ATOM 1058 O GLU A 71 -6.593 -3.333 -3.765 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.205 -6.079 -4.274 1.00 0.00 C ATOM 1060 CG GLU A 71 -4.172 -7.063 -4.828 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.205 -7.470 -3.714 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -3.558 -8.344 -2.939 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -2.127 -6.901 -3.656 1.00 0.00 O ATOM 0 H GLU A 71 -4.180 -3.505 -3.316 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.697 -4.814 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.121 -6.020 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.213 -6.429 -4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.672 -7.944 -5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.623 -6.605 -5.651 1.00 0.00 H new ATOM 1070 N LEU A 72 -7.006 -3.790 -5.873 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.273 -3.007 -5.843 1.00 0.00 C ATOM 1072 C LEU A 72 -9.450 -3.927 -6.172 1.00 0.00 C ATOM 1073 O LEU A 72 -9.523 -4.502 -7.239 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.200 -1.878 -6.877 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.435 -0.979 -6.755 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -10.646 -1.687 -7.367 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.713 -0.681 -5.279 1.00 0.00 C ATOM 0 H LEU A 72 -6.786 -4.225 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.413 -2.581 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.295 -1.290 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.142 -2.296 -7.882 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.252 -0.044 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.524 -1.047 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.452 -1.896 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.826 -2.623 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.592 -0.042 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.892 -1.615 -4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.853 -0.174 -4.842 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.373 -4.072 -5.260 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.545 -4.955 -5.518 1.00 0.00 C ATOM 1091 C GLU A 73 -12.812 -4.101 -5.635 1.00 0.00 C ATOM 1092 O GLU A 73 -13.431 -3.777 -4.641 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.703 -5.942 -4.359 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.783 -6.969 -4.705 1.00 0.00 C ATOM 1095 CD GLU A 73 -13.486 -7.423 -3.425 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -14.431 -6.763 -3.026 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.068 -8.423 -2.865 1.00 0.00 O ATOM 0 H GLU A 73 -10.366 -3.617 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.389 -5.504 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.756 -6.446 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.973 -5.408 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.506 -6.533 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.337 -7.825 -5.210 1.00 0.00 H new ATOM 1104 N PRO A 74 -13.160 -3.764 -6.850 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.352 -2.945 -7.137 1.00 0.00 C ATOM 1106 C PRO A 74 -15.620 -3.800 -7.051 1.00 0.00 C ATOM 1107 O PRO A 74 -16.713 -3.333 -7.303 1.00 0.00 O ATOM 1108 CB PRO A 74 -14.117 -2.457 -8.568 1.00 0.00 C ATOM 1109 CG PRO A 74 -13.123 -3.453 -9.212 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.400 -4.164 -8.052 1.00 0.00 C ATOM 0 HA PRO A 74 -14.490 -2.126 -6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.053 -2.426 -9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.710 -1.446 -8.572 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.648 -4.172 -9.841 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.411 -2.931 -9.851 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.404 -5.246 -8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.357 -3.855 -7.984 1.00 0.00 H new