USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 596 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 12 SER OG : rot 180:sc= -1.19 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -5:sc= 0.932 USER MOD Single : A 22 HIS : no HD1:sc= -9.45! C(o=-9.5!,f=-20!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -67:sc= 1.06 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= 0.639 (180deg=0.585) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0222 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 87:sc= 0.569 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.428 9.231 0.761 1.00 0.00 N ATOM 2 CA ALA A 1 -10.324 9.316 -0.238 1.00 0.00 C ATOM 3 C ALA A 1 -9.006 8.909 0.425 1.00 0.00 C ATOM 4 O ALA A 1 -8.407 9.671 1.156 1.00 0.00 O ATOM 5 CB ALA A 1 -10.213 10.751 -0.755 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.324 9.507 0.312 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.503 8.255 1.113 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.227 9.871 1.556 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.535 8.646 -1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.406 10.813 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.152 11.042 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.002 11.422 0.077 1.00 0.00 H new ATOM 13 N ILE A 2 -8.550 7.713 0.172 1.00 0.00 N ATOM 14 CA ILE A 2 -7.271 7.258 0.787 1.00 0.00 C ATOM 15 C ILE A 2 -6.171 7.242 -0.277 1.00 0.00 C ATOM 16 O ILE A 2 -6.136 6.382 -1.135 1.00 0.00 O ATOM 17 CB ILE A 2 -7.450 5.849 1.355 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.808 5.752 2.056 1.00 0.00 C ATOM 19 CG2 ILE A 2 -6.337 5.559 2.363 1.00 0.00 C ATOM 20 CD1 ILE A 2 -9.154 4.283 2.297 1.00 0.00 C ATOM 0 H ILE A 2 -9.007 7.032 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.992 7.940 1.590 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.404 5.122 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.779 6.290 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.579 6.223 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.465 4.555 2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.369 5.630 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.383 6.285 3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.121 4.214 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.200 3.759 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.388 3.827 2.925 1.00 0.00 H new ATOM 32 N ASP A 3 -5.271 8.187 -0.228 1.00 0.00 N ATOM 33 CA ASP A 3 -4.175 8.225 -1.237 1.00 0.00 C ATOM 34 C ASP A 3 -3.137 7.151 -0.903 1.00 0.00 C ATOM 35 O ASP A 3 -2.636 7.081 0.202 1.00 0.00 O ATOM 36 CB ASP A 3 -3.510 9.602 -1.214 1.00 0.00 C ATOM 37 CG ASP A 3 -2.659 9.778 -2.473 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.526 9.325 -2.467 1.00 0.00 O ATOM 39 OD2 ASP A 3 -3.154 10.363 -3.422 1.00 0.00 O ATOM 0 H ASP A 3 -5.248 8.933 0.467 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.586 8.036 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.268 10.383 -1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.888 9.703 -0.325 1.00 0.00 H new ATOM 44 N ILE A 4 -2.811 6.313 -1.849 1.00 0.00 N ATOM 45 CA ILE A 4 -1.806 5.245 -1.584 1.00 0.00 C ATOM 46 C ILE A 4 -0.469 5.635 -2.219 1.00 0.00 C ATOM 47 O ILE A 4 -0.393 5.928 -3.396 1.00 0.00 O ATOM 48 CB ILE A 4 -2.292 3.927 -2.187 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.769 3.722 -1.840 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.472 2.770 -1.616 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.314 2.522 -2.615 1.00 0.00 C ATOM 0 H ILE A 4 -3.197 6.322 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.677 5.126 -0.508 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.172 3.958 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.882 3.558 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.339 4.617 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.819 1.831 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.420 2.914 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.592 2.739 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.366 2.376 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.215 2.704 -3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.751 1.629 -2.345 1.00 0.00 H new ATOM 63 N LYS A 5 0.585 5.639 -1.450 1.00 0.00 N ATOM 64 CA LYS A 5 1.914 6.009 -2.010 1.00 0.00 C ATOM 65 C LYS A 5 2.959 4.987 -1.561 1.00 0.00 C ATOM 66 O LYS A 5 2.775 4.283 -0.589 1.00 0.00 O ATOM 67 CB LYS A 5 2.312 7.399 -1.508 1.00 0.00 C ATOM 68 CG LYS A 5 2.063 7.488 -0.001 1.00 0.00 C ATOM 69 CD LYS A 5 3.061 8.465 0.624 1.00 0.00 C ATOM 70 CE LYS A 5 2.558 8.895 2.004 1.00 0.00 C ATOM 71 NZ LYS A 5 2.260 10.355 1.992 1.00 0.00 N ATOM 0 H LYS A 5 0.583 5.402 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 5 1.859 6.018 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.363 7.589 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.736 8.164 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.043 7.821 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.168 6.503 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.040 7.994 0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.183 9.337 -0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.662 8.332 2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.309 8.673 2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.918 10.647 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.124 10.884 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.529 10.554 1.280 1.00 0.00 H new ATOM 85 N ALA A 6 4.057 4.899 -2.262 1.00 0.00 N ATOM 86 CA ALA A 6 5.112 3.921 -1.875 1.00 0.00 C ATOM 87 C ALA A 6 5.858 4.438 -0.641 1.00 0.00 C ATOM 88 O ALA A 6 5.761 5.600 -0.301 1.00 0.00 O ATOM 89 CB ALA A 6 6.098 3.748 -3.032 1.00 0.00 C ATOM 0 H ALA A 6 4.268 5.462 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 6 4.651 2.961 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.870 3.032 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.567 3.380 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.560 4.708 -3.263 1.00 0.00 H new ATOM 95 N PRO A 7 6.585 3.553 -0.008 1.00 0.00 N ATOM 96 CA PRO A 7 7.367 3.881 1.197 1.00 0.00 C ATOM 97 C PRO A 7 8.658 4.610 0.813 1.00 0.00 C ATOM 98 O PRO A 7 8.929 4.844 -0.348 1.00 0.00 O ATOM 99 CB PRO A 7 7.674 2.512 1.809 1.00 0.00 C ATOM 100 CG PRO A 7 7.555 1.482 0.660 1.00 0.00 C ATOM 101 CD PRO A 7 6.694 2.142 -0.434 1.00 0.00 C ATOM 0 HA PRO A 7 6.839 4.541 1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.674 2.496 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.975 2.280 2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.539 1.218 0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.094 0.560 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.162 2.057 -1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.714 1.671 -0.507 1.00 0.00 H new ATOM 109 N THR A 8 9.457 4.971 1.780 1.00 0.00 N ATOM 110 CA THR A 8 10.727 5.684 1.471 1.00 0.00 C ATOM 111 C THR A 8 11.854 4.664 1.291 1.00 0.00 C ATOM 112 O THR A 8 12.091 3.831 2.142 1.00 0.00 O ATOM 113 CB THR A 8 11.076 6.630 2.622 1.00 0.00 C ATOM 114 OG1 THR A 8 9.950 6.764 3.478 1.00 0.00 O ATOM 115 CG2 THR A 8 11.458 8.001 2.061 1.00 0.00 C ATOM 0 H THR A 8 9.284 4.802 2.771 1.00 0.00 H new ATOM 0 HA THR A 8 10.606 6.259 0.553 1.00 0.00 H new ATOM 0 HB THR A 8 11.916 6.224 3.185 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.171 7.368 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.706 8.674 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.321 7.897 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.619 8.410 1.498 1.00 0.00 H new ATOM 123 N PHE A 9 12.550 4.723 0.189 1.00 0.00 N ATOM 124 CA PHE A 9 13.660 3.756 -0.044 1.00 0.00 C ATOM 125 C PHE A 9 14.916 4.235 0.689 1.00 0.00 C ATOM 126 O PHE A 9 15.063 5.411 0.960 1.00 0.00 O ATOM 127 CB PHE A 9 13.949 3.662 -1.544 1.00 0.00 C ATOM 128 CG PHE A 9 12.682 3.293 -2.278 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.773 4.293 -2.653 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.414 1.952 -2.584 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.598 3.950 -3.334 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.238 1.611 -3.265 1.00 0.00 C ATOM 133 CZ PHE A 9 10.330 2.609 -3.641 1.00 0.00 C ATOM 0 H PHE A 9 12.398 5.399 -0.560 1.00 0.00 H new ATOM 0 HA PHE A 9 13.372 2.774 0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.331 4.614 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.721 2.915 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.979 5.327 -2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.114 1.182 -2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.898 4.720 -3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.031 0.577 -3.500 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.424 2.345 -4.167 1.00 0.00 H new ATOM 143 N PRO A 10 15.787 3.305 0.987 1.00 0.00 N ATOM 144 CA PRO A 10 17.049 3.593 1.691 1.00 0.00 C ATOM 145 C PRO A 10 18.075 4.191 0.723 1.00 0.00 C ATOM 146 O PRO A 10 17.851 4.260 -0.469 1.00 0.00 O ATOM 147 CB PRO A 10 17.503 2.220 2.190 1.00 0.00 C ATOM 148 CG PRO A 10 16.808 1.175 1.284 1.00 0.00 C ATOM 149 CD PRO A 10 15.594 1.879 0.651 1.00 0.00 C ATOM 0 HA PRO A 10 16.936 4.317 2.498 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.587 2.125 2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.226 2.075 3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.491 0.814 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.494 0.307 1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.562 1.725 -0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.657 1.498 1.056 1.00 0.00 H new ATOM 157 N GLU A 11 19.198 4.623 1.227 1.00 0.00 N ATOM 158 CA GLU A 11 20.236 5.215 0.337 1.00 0.00 C ATOM 159 C GLU A 11 20.777 4.136 -0.603 1.00 0.00 C ATOM 160 O GLU A 11 20.886 4.337 -1.796 1.00 0.00 O ATOM 161 CB GLU A 11 21.380 5.771 1.187 1.00 0.00 C ATOM 162 CG GLU A 11 21.946 4.660 2.072 1.00 0.00 C ATOM 163 CD GLU A 11 22.632 5.277 3.293 1.00 0.00 C ATOM 164 OE1 GLU A 11 23.391 6.214 3.109 1.00 0.00 O ATOM 165 OE2 GLU A 11 22.385 4.804 4.389 1.00 0.00 O ATOM 0 H GLU A 11 19.442 4.592 2.217 1.00 0.00 H new ATOM 0 HA GLU A 11 19.795 6.021 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.163 6.172 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.021 6.595 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.146 3.992 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.658 4.058 1.507 1.00 0.00 H new ATOM 172 N SER A 12 21.120 2.992 -0.073 1.00 0.00 N ATOM 173 CA SER A 12 21.655 1.900 -0.931 1.00 0.00 C ATOM 174 C SER A 12 20.831 1.807 -2.218 1.00 0.00 C ATOM 175 O SER A 12 21.366 1.768 -3.308 1.00 0.00 O ATOM 176 CB SER A 12 21.583 0.575 -0.166 1.00 0.00 C ATOM 177 OG SER A 12 20.658 -0.297 -0.805 1.00 0.00 O ATOM 0 H SER A 12 21.052 2.768 0.920 1.00 0.00 H new ATOM 0 HA SER A 12 22.693 2.111 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.569 0.111 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.276 0.755 0.864 1.00 0.00 H new ATOM 0 HG SER A 12 20.615 -1.144 -0.315 1.00 0.00 H new ATOM 183 N ILE A 13 19.532 1.770 -2.099 1.00 0.00 N ATOM 184 CA ILE A 13 18.676 1.679 -3.316 1.00 0.00 C ATOM 185 C ILE A 13 18.310 3.088 -3.789 1.00 0.00 C ATOM 186 O ILE A 13 18.493 4.058 -3.080 1.00 0.00 O ATOM 187 CB ILE A 13 17.398 0.906 -2.983 1.00 0.00 C ATOM 188 CG1 ILE A 13 17.751 -0.325 -2.146 1.00 0.00 C ATOM 189 CG2 ILE A 13 16.720 0.460 -4.280 1.00 0.00 C ATOM 190 CD1 ILE A 13 16.507 -0.808 -1.398 1.00 0.00 C ATOM 0 H ILE A 13 19.027 1.799 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 13 19.220 1.160 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 13 16.721 1.548 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 13 18.132 -1.118 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.543 -0.081 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.810 -0.091 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 13 16.469 1.335 -4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.397 -0.183 -4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.759 -1.685 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.146 -0.015 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.729 -1.068 -2.116 1.00 0.00 H new ATOM 202 N ALA A 14 17.796 3.209 -4.982 1.00 0.00 N ATOM 203 CA ALA A 14 17.420 4.555 -5.498 1.00 0.00 C ATOM 204 C ALA A 14 16.009 4.500 -6.087 1.00 0.00 C ATOM 205 O ALA A 14 15.568 5.416 -6.752 1.00 0.00 O ATOM 206 CB ALA A 14 18.410 4.979 -6.584 1.00 0.00 C ATOM 0 H ALA A 14 17.620 2.434 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 14 17.445 5.277 -4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.136 5.964 -6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.415 5.019 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.386 4.257 -7.400 1.00 0.00 H new ATOM 212 N ASP A 15 15.297 3.432 -5.849 1.00 0.00 N ATOM 213 CA ASP A 15 13.916 3.321 -6.397 1.00 0.00 C ATOM 214 C ASP A 15 13.401 1.895 -6.192 1.00 0.00 C ATOM 215 O ASP A 15 14.017 1.091 -5.520 1.00 0.00 O ATOM 216 CB ASP A 15 13.932 3.648 -7.891 1.00 0.00 C ATOM 217 CG ASP A 15 15.246 3.164 -8.507 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.743 2.140 -8.066 1.00 0.00 O ATOM 219 OD2 ASP A 15 15.733 3.825 -9.409 1.00 0.00 O ATOM 0 H ASP A 15 15.612 2.633 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 15 13.261 4.022 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.088 3.170 -8.388 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.823 4.722 -8.040 1.00 0.00 H new ATOM 224 N GLY A 16 12.273 1.574 -6.765 1.00 0.00 N ATOM 225 CA GLY A 16 11.719 0.200 -6.603 1.00 0.00 C ATOM 226 C GLY A 16 11.054 -0.241 -7.909 1.00 0.00 C ATOM 227 O GLY A 16 11.273 0.338 -8.954 1.00 0.00 O ATOM 0 H GLY A 16 11.711 2.204 -7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.515 -0.495 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.994 0.183 -5.790 1.00 0.00 H new ATOM 231 N THR A 17 10.243 -1.263 -7.857 1.00 0.00 N ATOM 232 CA THR A 17 9.566 -1.740 -9.096 1.00 0.00 C ATOM 233 C THR A 17 8.213 -2.355 -8.732 1.00 0.00 C ATOM 234 O THR A 17 8.120 -3.213 -7.877 1.00 0.00 O ATOM 235 CB THR A 17 10.439 -2.793 -9.780 1.00 0.00 C ATOM 236 OG1 THR A 17 11.615 -2.176 -10.286 1.00 0.00 O ATOM 237 CG2 THR A 17 9.661 -3.434 -10.931 1.00 0.00 C ATOM 0 H THR A 17 10.020 -1.787 -7.011 1.00 0.00 H new ATOM 0 HA THR A 17 9.412 -0.900 -9.774 1.00 0.00 H new ATOM 0 HB THR A 17 10.714 -3.562 -9.058 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.176 -2.850 -10.723 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.284 -4.184 -11.418 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.760 -3.908 -10.542 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.384 -2.667 -11.655 1.00 0.00 H new ATOM 245 N VAL A 18 7.164 -1.925 -9.377 1.00 0.00 N ATOM 246 CA VAL A 18 5.818 -2.486 -9.069 1.00 0.00 C ATOM 247 C VAL A 18 5.882 -4.014 -9.108 1.00 0.00 C ATOM 248 O VAL A 18 6.716 -4.594 -9.776 1.00 0.00 O ATOM 249 CB VAL A 18 4.809 -1.992 -10.107 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.406 -2.463 -9.721 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.837 -0.462 -10.153 1.00 0.00 C ATOM 0 H VAL A 18 7.180 -1.210 -10.104 1.00 0.00 H new ATOM 0 HA VAL A 18 5.507 -2.160 -8.077 1.00 0.00 H new ATOM 0 HB VAL A 18 5.069 -2.393 -11.087 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.687 -2.111 -10.461 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.385 -3.552 -9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.144 -2.062 -8.742 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.119 -0.107 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.576 -0.064 -9.173 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.837 -0.124 -10.427 1.00 0.00 H new ATOM 261 N ALA A 19 5.010 -4.673 -8.396 1.00 0.00 N ATOM 262 CA ALA A 19 5.022 -6.163 -8.394 1.00 0.00 C ATOM 263 C ALA A 19 3.940 -6.684 -9.342 1.00 0.00 C ATOM 264 O ALA A 19 4.221 -7.118 -10.440 1.00 0.00 O ATOM 265 CB ALA A 19 4.748 -6.673 -6.977 1.00 0.00 C ATOM 0 H ALA A 19 4.289 -4.244 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 19 5.997 -6.519 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.757 -7.763 -6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.519 -6.303 -6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.773 -6.317 -6.644 1.00 0.00 H new ATOM 271 N THR A 20 2.704 -6.646 -8.924 1.00 0.00 N ATOM 272 CA THR A 20 1.605 -7.139 -9.801 1.00 0.00 C ATOM 273 C THR A 20 0.274 -6.550 -9.333 1.00 0.00 C ATOM 274 O THR A 20 -0.062 -6.601 -8.166 1.00 0.00 O ATOM 275 CB THR A 20 1.541 -8.667 -9.727 1.00 0.00 C ATOM 276 OG1 THR A 20 2.708 -9.217 -10.323 1.00 0.00 O ATOM 277 CG2 THR A 20 0.303 -9.165 -10.473 1.00 0.00 C ATOM 0 H THR A 20 2.408 -6.295 -8.013 1.00 0.00 H new ATOM 0 HA THR A 20 1.796 -6.832 -10.829 1.00 0.00 H new ATOM 0 HB THR A 20 1.483 -8.978 -8.684 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.243 -8.498 -10.719 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.259 -10.253 -10.419 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.592 -8.743 -10.016 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.358 -8.855 -11.517 1.00 0.00 H new ATOM 285 N TRP A 21 -0.487 -5.989 -10.232 1.00 0.00 N ATOM 286 CA TRP A 21 -1.790 -5.396 -9.845 1.00 0.00 C ATOM 287 C TRP A 21 -2.887 -6.458 -9.948 1.00 0.00 C ATOM 288 O TRP A 21 -3.566 -6.565 -10.950 1.00 0.00 O ATOM 289 CB TRP A 21 -2.102 -4.244 -10.794 1.00 0.00 C ATOM 290 CG TRP A 21 -1.560 -2.970 -10.229 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.392 -2.389 -10.593 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.143 -2.112 -9.208 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.226 -1.229 -9.858 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.274 -1.017 -8.995 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.329 -2.175 -8.453 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.565 -0.021 -8.070 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.629 -1.171 -7.515 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.747 -0.095 -7.325 1.00 0.00 C ATOM 0 H TRP A 21 -0.257 -5.917 -11.223 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.744 -5.031 -8.819 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.662 -4.436 -11.773 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.179 -4.160 -10.939 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.296 -2.768 -11.334 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.577 -0.606 -9.946 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.013 -2.999 -8.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.883 0.804 -7.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.541 -1.228 -6.939 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.981 0.675 -6.604 1.00 0.00 H new ATOM 309 N HIS A 22 -3.062 -7.247 -8.922 1.00 0.00 N ATOM 310 CA HIS A 22 -4.121 -8.308 -8.970 1.00 0.00 C ATOM 311 C HIS A 22 -5.397 -7.723 -9.579 1.00 0.00 C ATOM 312 O HIS A 22 -5.863 -8.166 -10.609 1.00 0.00 O ATOM 313 CB HIS A 22 -4.433 -8.826 -7.558 1.00 0.00 C ATOM 314 CG HIS A 22 -3.197 -8.751 -6.712 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.814 -7.579 -6.086 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.221 -9.671 -6.421 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.651 -7.813 -5.466 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.242 -9.074 -5.633 1.00 0.00 N ATOM 0 H HIS A 22 -2.524 -7.207 -8.056 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.757 -9.136 -9.579 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.230 -8.233 -7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.791 -9.854 -7.607 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.214 -10.699 -6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.108 -7.071 -4.899 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.395 -9.506 -5.263 1.00 0.00 H new ATOM 326 N LYS A 23 -5.965 -6.731 -8.948 1.00 0.00 N ATOM 327 CA LYS A 23 -7.210 -6.119 -9.492 1.00 0.00 C ATOM 328 C LYS A 23 -6.850 -4.902 -10.344 1.00 0.00 C ATOM 329 O LYS A 23 -5.694 -4.642 -10.616 1.00 0.00 O ATOM 330 CB LYS A 23 -8.111 -5.684 -8.333 1.00 0.00 C ATOM 331 CG LYS A 23 -8.439 -6.894 -7.458 1.00 0.00 C ATOM 332 CD LYS A 23 -9.399 -7.821 -8.207 1.00 0.00 C ATOM 333 CE LYS A 23 -8.809 -9.231 -8.261 1.00 0.00 C ATOM 334 NZ LYS A 23 -9.608 -10.068 -9.200 1.00 0.00 N ATOM 0 H LYS A 23 -5.621 -6.319 -8.081 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.736 -6.849 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.613 -4.917 -7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.029 -5.242 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.525 -7.430 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.889 -6.567 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.368 -7.840 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.568 -7.447 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.770 -9.190 -8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.813 -9.677 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.207 -11.027 -9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.593 -10.117 -8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.582 -9.645 -10.150 1.00 0.00 H new ATOM 348 N LYS A 24 -7.830 -4.153 -10.769 1.00 0.00 N ATOM 349 CA LYS A 24 -7.543 -2.952 -11.604 1.00 0.00 C ATOM 350 C LYS A 24 -8.294 -1.743 -11.036 1.00 0.00 C ATOM 351 O LYS A 24 -9.205 -1.897 -10.248 1.00 0.00 O ATOM 352 CB LYS A 24 -8.005 -3.211 -13.041 1.00 0.00 C ATOM 353 CG LYS A 24 -6.900 -3.939 -13.809 1.00 0.00 C ATOM 354 CD LYS A 24 -5.809 -2.941 -14.207 1.00 0.00 C ATOM 355 CE LYS A 24 -6.217 -2.226 -15.496 1.00 0.00 C ATOM 356 NZ LYS A 24 -5.028 -2.085 -16.382 1.00 0.00 N ATOM 0 H LYS A 24 -8.817 -4.320 -10.574 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.472 -2.750 -11.596 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.916 -3.809 -13.039 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.244 -2.268 -13.533 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.475 -4.731 -13.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.314 -4.415 -14.698 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.657 -2.215 -13.408 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.861 -3.460 -14.351 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.999 -2.789 -16.005 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.630 -1.244 -15.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.304 -1.599 -17.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.296 -1.530 -15.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.653 -3.027 -16.612 1.00 0.00 H new ATOM 370 N PRO A 25 -7.885 -0.574 -11.459 1.00 0.00 N ATOM 371 CA PRO A 25 -8.499 0.690 -11.014 1.00 0.00 C ATOM 372 C PRO A 25 -9.828 0.922 -11.737 1.00 0.00 C ATOM 373 O PRO A 25 -9.861 1.253 -12.906 1.00 0.00 O ATOM 374 CB PRO A 25 -7.467 1.750 -11.412 1.00 0.00 C ATOM 375 CG PRO A 25 -6.614 1.124 -12.541 1.00 0.00 C ATOM 376 CD PRO A 25 -6.776 -0.403 -12.420 1.00 0.00 C ATOM 0 HA PRO A 25 -8.728 0.704 -9.948 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.958 2.661 -11.755 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.844 2.025 -10.561 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.948 1.473 -13.518 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.567 1.412 -12.441 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.010 -0.856 -13.383 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.861 -0.873 -12.060 1.00 0.00 H new ATOM 384 N GLY A 26 -10.925 0.751 -11.052 1.00 0.00 N ATOM 385 CA GLY A 26 -12.250 0.960 -11.699 1.00 0.00 C ATOM 386 C GLY A 26 -13.210 -0.150 -11.268 1.00 0.00 C ATOM 387 O GLY A 26 -14.398 -0.089 -11.519 1.00 0.00 O ATOM 0 H GLY A 26 -10.961 0.475 -10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.654 1.933 -11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.141 0.960 -12.784 1.00 0.00 H new ATOM 391 N GLU A 27 -12.706 -1.165 -10.620 1.00 0.00 N ATOM 392 CA GLU A 27 -13.589 -2.278 -10.173 1.00 0.00 C ATOM 393 C GLU A 27 -13.937 -2.089 -8.695 1.00 0.00 C ATOM 394 O GLU A 27 -13.627 -1.077 -8.098 1.00 0.00 O ATOM 395 CB GLU A 27 -12.863 -3.612 -10.360 1.00 0.00 C ATOM 396 CG GLU A 27 -11.630 -3.653 -9.456 1.00 0.00 C ATOM 397 CD GLU A 27 -11.521 -5.033 -8.803 1.00 0.00 C ATOM 398 OE1 GLU A 27 -11.740 -6.013 -9.497 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.221 -5.086 -7.623 1.00 0.00 O ATOM 0 H GLU A 27 -11.720 -1.271 -10.381 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.504 -2.277 -10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.531 -4.439 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.567 -3.734 -11.402 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.732 -3.442 -10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.702 -2.881 -8.690 1.00 0.00 H new ATOM 406 N ALA A 28 -14.579 -3.057 -8.100 1.00 0.00 N ATOM 407 CA ALA A 28 -14.946 -2.933 -6.661 1.00 0.00 C ATOM 408 C ALA A 28 -14.029 -3.825 -5.822 1.00 0.00 C ATOM 409 O ALA A 28 -13.562 -4.851 -6.274 1.00 0.00 O ATOM 410 CB ALA A 28 -16.399 -3.368 -6.466 1.00 0.00 C ATOM 0 H ALA A 28 -14.865 -3.928 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.832 -1.896 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.668 -3.277 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.052 -2.732 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.514 -4.405 -6.782 1.00 0.00 H new ATOM 416 N VAL A 29 -13.769 -3.443 -4.601 1.00 0.00 N ATOM 417 CA VAL A 29 -12.882 -4.269 -3.735 1.00 0.00 C ATOM 418 C VAL A 29 -13.542 -4.464 -2.368 1.00 0.00 C ATOM 419 O VAL A 29 -14.691 -4.124 -2.169 1.00 0.00 O ATOM 420 CB VAL A 29 -11.538 -3.561 -3.556 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.955 -3.216 -4.927 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.745 -2.273 -2.753 1.00 0.00 C ATOM 0 H VAL A 29 -14.133 -2.595 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.720 -5.240 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.850 -4.218 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.997 -2.712 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.809 -4.131 -5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.643 -2.559 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.788 -1.767 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.433 -1.618 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.161 -2.517 -1.775 1.00 0.00 H new ATOM 432 N LYS A 30 -12.825 -5.010 -1.424 1.00 0.00 N ATOM 433 CA LYS A 30 -13.412 -5.225 -0.073 1.00 0.00 C ATOM 434 C LYS A 30 -12.308 -5.143 0.983 1.00 0.00 C ATOM 435 O LYS A 30 -11.269 -5.762 0.858 1.00 0.00 O ATOM 436 CB LYS A 30 -14.069 -6.606 -0.016 1.00 0.00 C ATOM 437 CG LYS A 30 -15.590 -6.452 -0.078 1.00 0.00 C ATOM 438 CD LYS A 30 -16.246 -7.833 -0.042 1.00 0.00 C ATOM 439 CE LYS A 30 -17.711 -7.714 -0.467 1.00 0.00 C ATOM 440 NZ LYS A 30 -18.542 -7.346 0.714 1.00 0.00 N ATOM 0 H LYS A 30 -11.858 -5.316 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.160 -4.457 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.721 -7.220 -0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.782 -7.119 0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.939 -5.850 0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.876 -5.926 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.718 -8.516 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.181 -8.252 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.814 -6.960 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.056 -8.658 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.538 -7.265 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.452 -8.081 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.217 -6.435 1.097 1.00 0.00 H new ATOM 454 N ARG A 31 -12.523 -4.380 2.021 1.00 0.00 N ATOM 455 CA ARG A 31 -11.488 -4.255 3.084 1.00 0.00 C ATOM 456 C ARG A 31 -10.899 -5.633 3.394 1.00 0.00 C ATOM 457 O ARG A 31 -11.592 -6.631 3.380 1.00 0.00 O ATOM 458 CB ARG A 31 -12.125 -3.677 4.350 1.00 0.00 C ATOM 459 CG ARG A 31 -11.031 -3.339 5.364 1.00 0.00 C ATOM 460 CD ARG A 31 -11.496 -3.732 6.768 1.00 0.00 C ATOM 461 NE ARG A 31 -12.390 -2.670 7.309 1.00 0.00 N ATOM 462 CZ ARG A 31 -13.686 -2.807 7.234 1.00 0.00 C ATOM 463 NH1 ARG A 31 -14.327 -2.373 6.184 1.00 0.00 N ATOM 464 NH2 ARG A 31 -14.340 -3.377 8.208 1.00 0.00 N ATOM 0 H ARG A 31 -13.373 -3.838 2.178 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.694 -3.592 2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.698 -2.782 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.824 -4.396 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.112 -3.868 5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.805 -2.273 5.329 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.024 -4.685 6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.636 -3.867 7.423 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.989 -1.836 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.816 -1.927 5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.340 -2.480 6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.839 -3.716 9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.353 -3.484 8.149 1.00 0.00 H new ATOM 478 N ASP A 32 -9.626 -5.695 3.675 1.00 0.00 N ATOM 479 CA ASP A 32 -8.995 -7.008 3.985 1.00 0.00 C ATOM 480 C ASP A 32 -8.845 -7.819 2.696 1.00 0.00 C ATOM 481 O ASP A 32 -9.028 -9.020 2.682 1.00 0.00 O ATOM 482 CB ASP A 32 -9.876 -7.778 4.972 1.00 0.00 C ATOM 483 CG ASP A 32 -9.010 -8.742 5.785 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.102 -8.273 6.452 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.270 -9.933 5.727 1.00 0.00 O ATOM 0 H ASP A 32 -8.996 -4.893 3.703 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.013 -6.843 4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.388 -7.083 5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.646 -8.330 4.434 1.00 0.00 H new ATOM 490 N GLU A 33 -8.514 -7.172 1.612 1.00 0.00 N ATOM 491 CA GLU A 33 -8.352 -7.907 0.326 1.00 0.00 C ATOM 492 C GLU A 33 -7.131 -7.366 -0.419 1.00 0.00 C ATOM 493 O GLU A 33 -7.039 -6.189 -0.709 1.00 0.00 O ATOM 494 CB GLU A 33 -9.603 -7.711 -0.534 1.00 0.00 C ATOM 495 CG GLU A 33 -9.698 -8.841 -1.562 1.00 0.00 C ATOM 496 CD GLU A 33 -10.688 -9.897 -1.069 1.00 0.00 C ATOM 497 OE1 GLU A 33 -10.306 -10.694 -0.228 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.813 -9.892 -1.542 1.00 0.00 O ATOM 0 H GLU A 33 -8.349 -6.167 1.561 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.213 -8.969 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.493 -7.702 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.562 -6.747 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.022 -8.445 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.717 -9.291 -1.716 1.00 0.00 H new ATOM 505 N LEU A 34 -6.189 -8.216 -0.732 1.00 0.00 N ATOM 506 CA LEU A 34 -4.974 -7.754 -1.456 1.00 0.00 C ATOM 507 C LEU A 34 -5.379 -6.787 -2.571 1.00 0.00 C ATOM 508 O LEU A 34 -6.448 -6.892 -3.138 1.00 0.00 O ATOM 509 CB LEU A 34 -4.256 -8.961 -2.061 1.00 0.00 C ATOM 510 CG LEU A 34 -2.960 -8.502 -2.731 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.109 -7.727 -1.723 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.179 -9.726 -3.219 1.00 0.00 C ATOM 0 H LEU A 34 -6.211 -9.213 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.307 -7.244 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.036 -9.694 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.900 -9.453 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.198 -7.858 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.186 -7.400 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.663 -6.857 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.871 -8.371 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.255 -9.401 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.942 -10.369 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.783 -10.281 -3.937 1.00 0.00 H new ATOM 524 N ILE A 35 -4.533 -5.845 -2.890 1.00 0.00 N ATOM 525 CA ILE A 35 -4.875 -4.874 -3.967 1.00 0.00 C ATOM 526 C ILE A 35 -3.690 -4.735 -4.927 1.00 0.00 C ATOM 527 O ILE A 35 -3.856 -4.701 -6.130 1.00 0.00 O ATOM 528 CB ILE A 35 -5.188 -3.513 -3.344 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.283 -3.677 -2.288 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.671 -2.551 -4.432 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.584 -4.117 -2.964 1.00 0.00 C ATOM 0 H ILE A 35 -3.622 -5.706 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.746 -5.233 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.288 -3.112 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.979 -4.415 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.436 -2.737 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.894 -1.581 -3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.893 -2.434 -5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.571 -2.952 -4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.364 -4.234 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.890 -3.363 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.426 -5.068 -3.473 1.00 0.00 H new ATOM 543 N VAL A 36 -2.497 -4.652 -4.406 1.00 0.00 N ATOM 544 CA VAL A 36 -1.307 -4.514 -5.292 1.00 0.00 C ATOM 545 C VAL A 36 -0.043 -4.880 -4.512 1.00 0.00 C ATOM 546 O VAL A 36 0.050 -4.657 -3.321 1.00 0.00 O ATOM 547 CB VAL A 36 -1.203 -3.069 -5.783 1.00 0.00 C ATOM 548 CG1 VAL A 36 -1.220 -2.120 -4.584 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.105 -2.889 -6.558 1.00 0.00 C ATOM 0 H VAL A 36 -2.295 -4.674 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.411 -5.182 -6.147 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.047 -2.844 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.146 -1.090 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.150 -2.249 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.376 -2.343 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.181 -1.860 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.949 -3.113 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.118 -3.566 -7.412 1.00 0.00 H new ATOM 559 N ASP A 37 0.933 -5.439 -5.175 1.00 0.00 N ATOM 560 CA ASP A 37 2.190 -5.818 -4.472 1.00 0.00 C ATOM 561 C ASP A 37 3.308 -4.853 -4.874 1.00 0.00 C ATOM 562 O ASP A 37 3.276 -4.258 -5.934 1.00 0.00 O ATOM 563 CB ASP A 37 2.583 -7.244 -4.862 1.00 0.00 C ATOM 564 CG ASP A 37 1.932 -8.235 -3.896 1.00 0.00 C ATOM 565 OD1 ASP A 37 2.499 -8.462 -2.840 1.00 0.00 O ATOM 566 OD2 ASP A 37 0.878 -8.751 -4.229 1.00 0.00 O ATOM 0 H ASP A 37 0.913 -5.649 -6.173 1.00 0.00 H new ATOM 0 HA ASP A 37 2.034 -5.767 -3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.265 -7.454 -5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.667 -7.354 -4.836 1.00 0.00 H new ATOM 571 N ILE A 38 4.296 -4.691 -4.037 1.00 0.00 N ATOM 572 CA ILE A 38 5.413 -3.763 -4.373 1.00 0.00 C ATOM 573 C ILE A 38 6.738 -4.526 -4.339 1.00 0.00 C ATOM 574 O ILE A 38 6.910 -5.456 -3.574 1.00 0.00 O ATOM 575 CB ILE A 38 5.454 -2.624 -3.354 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.101 -1.907 -3.337 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.550 -1.631 -3.741 1.00 0.00 C ATOM 578 CD1 ILE A 38 3.914 -1.140 -4.647 1.00 0.00 C ATOM 0 H ILE A 38 4.378 -5.161 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 38 5.256 -3.352 -5.370 1.00 0.00 H new ATOM 0 HB ILE A 38 5.665 -3.030 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.296 -2.630 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.051 -1.221 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.579 -0.819 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.514 -2.140 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.340 -1.225 -4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.951 -0.629 -4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.713 -0.406 -4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.945 -1.837 -5.484 1.00 0.00 H new ATOM 590 N GLU A 39 7.676 -4.143 -5.160 1.00 0.00 N ATOM 591 CA GLU A 39 8.989 -4.846 -5.173 1.00 0.00 C ATOM 592 C GLU A 39 10.053 -3.954 -4.532 1.00 0.00 C ATOM 593 O GLU A 39 10.450 -2.948 -5.087 1.00 0.00 O ATOM 594 CB GLU A 39 9.387 -5.157 -6.617 1.00 0.00 C ATOM 595 CG GLU A 39 10.106 -6.507 -6.670 1.00 0.00 C ATOM 596 CD GLU A 39 9.390 -7.429 -7.660 1.00 0.00 C ATOM 597 OE1 GLU A 39 8.219 -7.697 -7.449 1.00 0.00 O ATOM 598 OE2 GLU A 39 10.025 -7.849 -8.613 1.00 0.00 O ATOM 0 H GLU A 39 7.590 -3.373 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 39 8.908 -5.776 -4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.502 -5.180 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.037 -4.372 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.144 -6.367 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.122 -6.962 -5.679 1.00 0.00 H new ATOM 605 N THR A 40 10.519 -4.312 -3.366 1.00 0.00 N ATOM 606 CA THR A 40 11.556 -3.483 -2.691 1.00 0.00 C ATOM 607 C THR A 40 12.940 -4.077 -2.964 1.00 0.00 C ATOM 608 O THR A 40 13.174 -4.683 -3.991 1.00 0.00 O ATOM 609 CB THR A 40 11.297 -3.468 -1.183 1.00 0.00 C ATOM 610 OG1 THR A 40 11.544 -4.762 -0.649 1.00 0.00 O ATOM 611 CG2 THR A 40 9.843 -3.074 -0.917 1.00 0.00 C ATOM 0 H THR A 40 10.226 -5.143 -2.852 1.00 0.00 H new ATOM 0 HA THR A 40 11.514 -2.464 -3.077 1.00 0.00 H new ATOM 0 HB THR A 40 11.960 -2.745 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.878 -5.392 -0.996 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.660 -3.064 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.654 -2.082 -1.327 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.178 -3.795 -1.392 1.00 0.00 H new ATOM 619 N ASP A 41 13.860 -3.903 -2.054 1.00 0.00 N ATOM 620 CA ASP A 41 15.227 -4.453 -2.259 1.00 0.00 C ATOM 621 C ASP A 41 15.132 -5.868 -2.833 1.00 0.00 C ATOM 622 O ASP A 41 15.458 -6.107 -3.978 1.00 0.00 O ATOM 623 CB ASP A 41 15.966 -4.496 -0.918 1.00 0.00 C ATOM 624 CG ASP A 41 17.458 -4.253 -1.149 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.005 -4.863 -2.053 1.00 0.00 O ATOM 626 OD2 ASP A 41 18.029 -3.461 -0.417 1.00 0.00 O ATOM 0 H ASP A 41 13.722 -3.402 -1.176 1.00 0.00 H new ATOM 0 HA ASP A 41 15.772 -3.816 -2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.564 -3.739 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.814 -5.463 -0.438 1.00 0.00 H new ATOM 631 N LYS A 42 14.687 -6.810 -2.045 1.00 0.00 N ATOM 632 CA LYS A 42 14.571 -8.208 -2.547 1.00 0.00 C ATOM 633 C LYS A 42 13.349 -8.876 -1.916 1.00 0.00 C ATOM 634 O LYS A 42 13.282 -10.083 -1.795 1.00 0.00 O ATOM 635 CB LYS A 42 15.831 -8.990 -2.171 1.00 0.00 C ATOM 636 CG LYS A 42 16.978 -8.592 -3.103 1.00 0.00 C ATOM 637 CD LYS A 42 17.977 -9.745 -3.205 1.00 0.00 C ATOM 638 CE LYS A 42 18.892 -9.522 -4.409 1.00 0.00 C ATOM 639 NZ LYS A 42 19.291 -10.840 -4.981 1.00 0.00 N ATOM 0 H LYS A 42 14.399 -6.671 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 42 14.460 -8.197 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.103 -8.786 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.643 -10.061 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.589 -8.346 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.475 -7.699 -2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.569 -9.809 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.447 -10.692 -3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.379 -8.926 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.777 -8.961 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.914 -10.689 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.796 -11.393 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.442 -11.359 -5.283 1.00 0.00 H new ATOM 653 N VAL A 43 12.378 -8.102 -1.514 1.00 0.00 N ATOM 654 CA VAL A 43 11.160 -8.694 -0.892 1.00 0.00 C ATOM 655 C VAL A 43 9.915 -8.006 -1.454 1.00 0.00 C ATOM 656 O VAL A 43 9.828 -6.795 -1.496 1.00 0.00 O ATOM 657 CB VAL A 43 11.215 -8.493 0.624 1.00 0.00 C ATOM 658 CG1 VAL A 43 10.046 -9.233 1.278 1.00 0.00 C ATOM 659 CG2 VAL A 43 12.535 -9.047 1.164 1.00 0.00 C ATOM 0 H VAL A 43 12.376 -7.085 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 43 11.117 -9.760 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 43 11.147 -7.430 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.084 -9.091 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.105 -8.840 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.115 -10.297 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.575 -8.904 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 43 12.604 -10.111 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.368 -8.521 0.697 1.00 0.00 H new ATOM 669 N VAL A 44 8.949 -8.769 -1.887 1.00 0.00 N ATOM 670 CA VAL A 44 7.711 -8.159 -2.445 1.00 0.00 C ATOM 671 C VAL A 44 6.685 -7.969 -1.325 1.00 0.00 C ATOM 672 O VAL A 44 6.127 -8.920 -0.815 1.00 0.00 O ATOM 673 CB VAL A 44 7.127 -9.078 -3.519 1.00 0.00 C ATOM 674 CG1 VAL A 44 6.266 -8.259 -4.481 1.00 0.00 C ATOM 675 CG2 VAL A 44 8.268 -9.740 -4.296 1.00 0.00 C ATOM 0 H VAL A 44 8.964 -9.789 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 44 7.952 -7.192 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 44 6.513 -9.844 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.850 -8.915 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.454 -7.785 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.879 -7.492 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.854 -10.396 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.880 -8.972 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.883 -10.325 -3.612 1.00 0.00 H new ATOM 685 N MET A 45 6.433 -6.748 -0.939 1.00 0.00 N ATOM 686 CA MET A 45 5.444 -6.499 0.147 1.00 0.00 C ATOM 687 C MET A 45 4.028 -6.569 -0.426 1.00 0.00 C ATOM 688 O MET A 45 3.829 -6.507 -1.623 1.00 0.00 O ATOM 689 CB MET A 45 5.684 -5.113 0.747 1.00 0.00 C ATOM 690 CG MET A 45 6.829 -5.184 1.760 1.00 0.00 C ATOM 691 SD MET A 45 6.469 -4.089 3.156 1.00 0.00 S ATOM 692 CE MET A 45 7.000 -5.215 4.469 1.00 0.00 C ATOM 0 H MET A 45 6.869 -5.913 -1.329 1.00 0.00 H new ATOM 0 HA MET A 45 5.559 -7.256 0.923 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.926 -4.401 -0.042 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.777 -4.754 1.233 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.955 -6.208 2.111 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.766 -4.891 1.287 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.863 -4.735 5.438 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.405 -6.127 4.429 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.053 -5.462 4.332 1.00 0.00 H new ATOM 702 N GLU A 46 3.042 -6.698 0.418 1.00 0.00 N ATOM 703 CA GLU A 46 1.639 -6.772 -0.080 1.00 0.00 C ATOM 704 C GLU A 46 0.909 -5.470 0.259 1.00 0.00 C ATOM 705 O GLU A 46 1.142 -4.866 1.287 1.00 0.00 O ATOM 706 CB GLU A 46 0.922 -7.948 0.587 1.00 0.00 C ATOM 707 CG GLU A 46 1.863 -9.152 0.647 1.00 0.00 C ATOM 708 CD GLU A 46 2.062 -9.573 2.104 1.00 0.00 C ATOM 709 OE1 GLU A 46 2.341 -8.706 2.917 1.00 0.00 O ATOM 710 OE2 GLU A 46 1.934 -10.753 2.382 1.00 0.00 O ATOM 0 H GLU A 46 3.147 -6.755 1.431 1.00 0.00 H new ATOM 0 HA GLU A 46 1.644 -6.916 -1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.604 -7.671 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.022 -8.204 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.448 -9.980 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.823 -8.900 0.196 1.00 0.00 H new ATOM 717 N VAL A 47 0.025 -5.036 -0.597 1.00 0.00 N ATOM 718 CA VAL A 47 -0.720 -3.774 -0.323 1.00 0.00 C ATOM 719 C VAL A 47 -2.217 -4.076 -0.234 1.00 0.00 C ATOM 720 O VAL A 47 -2.891 -4.226 -1.233 1.00 0.00 O ATOM 721 CB VAL A 47 -0.467 -2.777 -1.455 1.00 0.00 C ATOM 722 CG1 VAL A 47 -0.962 -1.392 -1.035 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.033 -2.714 -1.751 1.00 0.00 C ATOM 0 H VAL A 47 -0.214 -5.500 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.379 -3.347 0.620 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.002 -3.098 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.782 -0.681 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.030 -1.436 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.427 -1.070 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.215 -2.004 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.567 -2.392 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.387 -3.701 -2.050 1.00 0.00 H new ATOM 733 N LEU A 48 -2.744 -4.166 0.957 1.00 0.00 N ATOM 734 CA LEU A 48 -4.197 -4.458 1.109 1.00 0.00 C ATOM 735 C LEU A 48 -4.976 -3.144 1.189 1.00 0.00 C ATOM 736 O LEU A 48 -4.453 -2.125 1.593 1.00 0.00 O ATOM 737 CB LEU A 48 -4.424 -5.264 2.390 1.00 0.00 C ATOM 738 CG LEU A 48 -4.943 -6.657 2.032 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.767 -7.557 1.645 1.00 0.00 C ATOM 740 CD2 LEU A 48 -5.667 -7.257 3.239 1.00 0.00 C ATOM 0 H LEU A 48 -2.231 -4.050 1.831 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.543 -5.034 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.493 -5.344 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.140 -4.752 3.032 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.634 -6.582 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.137 -8.550 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.250 -7.131 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.075 -7.632 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.037 -8.250 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.975 -7.332 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.505 -6.617 3.516 1.00 0.00 H new ATOM 752 N ALA A 49 -6.223 -3.159 0.806 1.00 0.00 N ATOM 753 CA ALA A 49 -7.034 -1.910 0.861 1.00 0.00 C ATOM 754 C ALA A 49 -7.395 -1.599 2.316 1.00 0.00 C ATOM 755 O ALA A 49 -7.729 -2.480 3.084 1.00 0.00 O ATOM 756 CB ALA A 49 -8.316 -2.098 0.047 1.00 0.00 C ATOM 0 H ALA A 49 -6.715 -3.982 0.458 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.457 -1.084 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.910 -1.185 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.060 -2.319 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.893 -2.924 0.463 1.00 0.00 H new ATOM 762 N GLU A 50 -7.330 -0.354 2.700 1.00 0.00 N ATOM 763 CA GLU A 50 -7.669 0.011 4.103 1.00 0.00 C ATOM 764 C GLU A 50 -9.170 0.290 4.210 1.00 0.00 C ATOM 765 O GLU A 50 -9.642 0.836 5.188 1.00 0.00 O ATOM 766 CB GLU A 50 -6.888 1.263 4.508 1.00 0.00 C ATOM 767 CG GLU A 50 -5.994 0.943 5.707 1.00 0.00 C ATOM 768 CD GLU A 50 -6.404 1.811 6.897 1.00 0.00 C ATOM 769 OE1 GLU A 50 -6.466 3.018 6.732 1.00 0.00 O ATOM 770 OE2 GLU A 50 -6.651 1.254 7.955 1.00 0.00 O ATOM 0 H GLU A 50 -7.057 0.426 2.102 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.404 -0.813 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.282 1.612 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.578 2.069 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.080 -0.112 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.950 1.125 5.454 1.00 0.00 H new ATOM 777 N ALA A 51 -9.924 -0.081 3.212 1.00 0.00 N ATOM 778 CA ALA A 51 -11.393 0.164 3.258 1.00 0.00 C ATOM 779 C ALA A 51 -12.004 -0.142 1.888 1.00 0.00 C ATOM 780 O ALA A 51 -11.363 -0.003 0.866 1.00 0.00 O ATOM 781 CB ALA A 51 -11.656 1.627 3.618 1.00 0.00 C ATOM 0 H ALA A 51 -9.587 -0.543 2.367 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.845 -0.482 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.731 1.806 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.221 1.846 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.204 2.274 2.866 1.00 0.00 H new ATOM 787 N ASP A 52 -13.241 -0.559 1.860 1.00 0.00 N ATOM 788 CA ASP A 52 -13.891 -0.873 0.557 1.00 0.00 C ATOM 789 C ASP A 52 -14.321 0.431 -0.122 1.00 0.00 C ATOM 790 O ASP A 52 -14.270 1.497 0.460 1.00 0.00 O ATOM 791 CB ASP A 52 -15.106 -1.786 0.806 1.00 0.00 C ATOM 792 CG ASP A 52 -16.198 -1.556 -0.246 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.128 -2.181 -1.292 1.00 0.00 O ATOM 794 OD2 ASP A 52 -17.085 -0.759 0.013 1.00 0.00 O ATOM 0 H ASP A 52 -13.828 -0.695 2.683 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.191 -1.392 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.791 -2.829 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.510 -1.595 1.800 1.00 0.00 H new ATOM 799 N GLY A 53 -14.742 0.345 -1.350 1.00 0.00 N ATOM 800 CA GLY A 53 -15.178 1.570 -2.080 1.00 0.00 C ATOM 801 C GLY A 53 -14.907 1.397 -3.576 1.00 0.00 C ATOM 802 O GLY A 53 -15.144 0.348 -4.142 1.00 0.00 O ATOM 0 H GLY A 53 -14.804 -0.522 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.240 1.749 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.644 2.441 -1.701 1.00 0.00 H new ATOM 806 N VAL A 54 -14.410 2.417 -4.220 1.00 0.00 N ATOM 807 CA VAL A 54 -14.124 2.310 -5.679 1.00 0.00 C ATOM 808 C VAL A 54 -12.759 2.933 -5.978 1.00 0.00 C ATOM 809 O VAL A 54 -12.497 4.071 -5.642 1.00 0.00 O ATOM 810 CB VAL A 54 -15.206 3.050 -6.467 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.773 3.184 -7.928 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.515 2.263 -6.394 1.00 0.00 C ATOM 0 H VAL A 54 -14.190 3.320 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.116 1.260 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.352 4.042 -6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.544 3.711 -8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.839 3.744 -7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.627 2.193 -8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.287 2.789 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.368 1.271 -6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.824 2.167 -5.353 1.00 0.00 H new ATOM 822 N ILE A 55 -11.885 2.195 -6.607 1.00 0.00 N ATOM 823 CA ILE A 55 -10.538 2.745 -6.927 1.00 0.00 C ATOM 824 C ILE A 55 -10.681 3.909 -7.910 1.00 0.00 C ATOM 825 O ILE A 55 -11.695 4.062 -8.562 1.00 0.00 O ATOM 826 CB ILE A 55 -9.680 1.648 -7.558 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.679 0.417 -6.647 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.248 2.156 -7.736 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.809 0.687 -5.417 1.00 0.00 C ATOM 0 H ILE A 55 -12.046 1.235 -6.913 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.063 3.100 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.090 1.380 -8.532 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.697 0.179 -6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.300 -0.449 -7.190 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.637 1.373 -8.186 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.251 3.032 -8.385 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.834 2.426 -6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.810 -0.191 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.789 0.903 -5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.208 1.541 -4.870 1.00 0.00 H new ATOM 841 N ALA A 56 -9.675 4.732 -8.020 1.00 0.00 N ATOM 842 CA ALA A 56 -9.754 5.885 -8.959 1.00 0.00 C ATOM 843 C ALA A 56 -8.931 5.579 -10.213 1.00 0.00 C ATOM 844 O ALA A 56 -9.462 5.427 -11.294 1.00 0.00 O ATOM 845 CB ALA A 56 -9.200 7.138 -8.279 1.00 0.00 C ATOM 0 H ALA A 56 -8.801 4.655 -7.500 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.794 6.054 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.258 7.981 -8.967 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.786 7.357 -7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.160 6.970 -7.998 1.00 0.00 H new ATOM 851 N GLU A 57 -7.636 5.488 -10.075 1.00 0.00 N ATOM 852 CA GLU A 57 -6.780 5.192 -11.258 1.00 0.00 C ATOM 853 C GLU A 57 -5.355 4.890 -10.793 1.00 0.00 C ATOM 854 O GLU A 57 -4.840 5.516 -9.887 1.00 0.00 O ATOM 855 CB GLU A 57 -6.765 6.404 -12.193 1.00 0.00 C ATOM 856 CG GLU A 57 -7.150 5.962 -13.606 1.00 0.00 C ATOM 857 CD GLU A 57 -7.296 7.193 -14.504 1.00 0.00 C ATOM 858 OE1 GLU A 57 -8.276 7.902 -14.347 1.00 0.00 O ATOM 859 OE2 GLU A 57 -6.426 7.405 -15.332 1.00 0.00 O ATOM 0 H GLU A 57 -7.135 5.606 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.180 4.328 -11.789 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.462 7.162 -11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.775 6.859 -12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.390 5.293 -14.009 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.086 5.403 -13.582 1.00 0.00 H new ATOM 866 N ILE A 58 -4.712 3.932 -11.403 1.00 0.00 N ATOM 867 CA ILE A 58 -3.321 3.590 -10.995 1.00 0.00 C ATOM 868 C ILE A 58 -2.328 4.353 -11.874 1.00 0.00 C ATOM 869 O ILE A 58 -2.440 4.369 -13.083 1.00 0.00 O ATOM 870 CB ILE A 58 -3.097 2.085 -11.158 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.049 1.325 -10.234 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.651 1.742 -10.794 1.00 0.00 C ATOM 873 CD1 ILE A 58 -3.989 1.928 -8.829 1.00 0.00 C ATOM 0 H ILE A 58 -5.090 3.371 -12.167 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.170 3.869 -9.952 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.289 1.799 -12.192 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.067 1.378 -10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.775 0.270 -10.200 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.491 0.670 -10.910 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.972 2.284 -11.452 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.459 2.028 -9.760 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.668 1.386 -8.171 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.972 1.852 -8.444 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.284 2.977 -8.870 1.00 0.00 H new ATOM 885 N VAL A 59 -1.356 4.986 -11.275 1.00 0.00 N ATOM 886 CA VAL A 59 -0.357 5.746 -12.077 1.00 0.00 C ATOM 887 C VAL A 59 0.810 4.826 -12.444 1.00 0.00 C ATOM 888 O VAL A 59 1.344 4.890 -13.533 1.00 0.00 O ATOM 889 CB VAL A 59 0.163 6.928 -11.257 1.00 0.00 C ATOM 890 CG1 VAL A 59 1.329 7.589 -11.994 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.962 7.948 -11.064 1.00 0.00 C ATOM 0 H VAL A 59 -1.211 5.009 -10.266 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.828 6.115 -12.988 1.00 0.00 H new ATOM 0 HB VAL A 59 0.504 6.573 -10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.699 8.431 -11.409 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.130 6.863 -12.132 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.990 7.944 -12.967 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.593 8.791 -10.480 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.303 8.302 -12.037 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.793 7.478 -10.538 1.00 0.00 H new ATOM 901 N LYS A 60 1.208 3.971 -11.542 1.00 0.00 N ATOM 902 CA LYS A 60 2.339 3.048 -11.840 1.00 0.00 C ATOM 903 C LYS A 60 1.787 1.713 -12.344 1.00 0.00 C ATOM 904 O LYS A 60 0.976 1.082 -11.698 1.00 0.00 O ATOM 905 CB LYS A 60 3.156 2.815 -10.566 1.00 0.00 C ATOM 906 CG LYS A 60 4.563 3.384 -10.751 1.00 0.00 C ATOM 907 CD LYS A 60 4.483 4.903 -10.913 1.00 0.00 C ATOM 908 CE LYS A 60 4.866 5.285 -12.344 1.00 0.00 C ATOM 909 NZ LYS A 60 6.350 5.280 -12.479 1.00 0.00 N ATOM 0 H LYS A 60 0.799 3.872 -10.613 1.00 0.00 H new ATOM 0 HA LYS A 60 2.978 3.489 -12.605 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.668 3.292 -9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.209 1.749 -10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.184 3.132 -9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.034 2.939 -11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.474 5.250 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.152 5.391 -10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.424 4.582 -13.050 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.471 6.272 -12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.607 5.303 -13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.745 6.115 -12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.735 4.418 -12.043 1.00 0.00 H new ATOM 923 N ASN A 61 2.222 1.278 -13.495 1.00 0.00 N ATOM 924 CA ASN A 61 1.722 -0.016 -14.040 1.00 0.00 C ATOM 925 C ASN A 61 2.618 -1.156 -13.551 1.00 0.00 C ATOM 926 O ASN A 61 3.611 -0.937 -12.886 1.00 0.00 O ATOM 927 CB ASN A 61 1.746 0.031 -15.569 1.00 0.00 C ATOM 928 CG ASN A 61 0.488 0.738 -16.078 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.533 0.113 -16.284 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.518 2.025 -16.291 1.00 0.00 N ATOM 0 H ASN A 61 2.902 1.762 -14.081 1.00 0.00 H new ATOM 0 HA ASN A 61 0.701 -0.184 -13.698 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.636 0.557 -15.913 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.797 -0.980 -15.974 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.315 2.505 -16.630 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.375 2.551 -16.118 1.00 0.00 H new ATOM 937 N GLU A 62 2.276 -2.372 -13.876 1.00 0.00 N ATOM 938 CA GLU A 62 3.108 -3.525 -13.431 1.00 0.00 C ATOM 939 C GLU A 62 4.386 -3.586 -14.269 1.00 0.00 C ATOM 940 O GLU A 62 4.421 -3.137 -15.399 1.00 0.00 O ATOM 941 CB GLU A 62 2.319 -4.823 -13.610 1.00 0.00 C ATOM 942 CG GLU A 62 0.916 -4.657 -13.022 1.00 0.00 C ATOM 943 CD GLU A 62 0.026 -5.807 -13.493 1.00 0.00 C ATOM 944 OE1 GLU A 62 0.561 -6.864 -13.786 1.00 0.00 O ATOM 945 OE2 GLU A 62 -1.177 -5.613 -13.552 1.00 0.00 O ATOM 0 H GLU A 62 1.456 -2.617 -14.431 1.00 0.00 H new ATOM 0 HA GLU A 62 3.368 -3.400 -12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.253 -5.077 -14.668 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.836 -5.646 -13.116 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.966 -4.644 -11.933 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.490 -3.703 -13.333 1.00 0.00 H new ATOM 952 N GLY A 63 5.437 -4.138 -13.728 1.00 0.00 N ATOM 953 CA GLY A 63 6.712 -4.227 -14.495 1.00 0.00 C ATOM 954 C GLY A 63 7.263 -2.822 -14.738 1.00 0.00 C ATOM 955 O GLY A 63 8.133 -2.619 -15.562 1.00 0.00 O ATOM 0 H GLY A 63 5.468 -4.532 -12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.439 -4.823 -13.944 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.542 -4.731 -15.446 1.00 0.00 H new ATOM 959 N ASP A 64 6.764 -1.847 -14.028 1.00 0.00 N ATOM 960 CA ASP A 64 7.261 -0.456 -14.220 1.00 0.00 C ATOM 961 C ASP A 64 8.175 -0.079 -13.051 1.00 0.00 C ATOM 962 O ASP A 64 8.280 -0.790 -12.071 1.00 0.00 O ATOM 963 CB ASP A 64 6.059 0.503 -14.305 1.00 0.00 C ATOM 964 CG ASP A 64 6.420 1.893 -13.765 1.00 0.00 C ATOM 965 OD1 ASP A 64 6.665 2.000 -12.575 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.443 2.825 -14.552 1.00 0.00 O ATOM 0 H ASP A 64 6.034 -1.954 -13.324 1.00 0.00 H new ATOM 0 HA ASP A 64 7.833 -0.384 -15.145 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.729 0.586 -15.341 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.223 0.095 -13.736 1.00 0.00 H new ATOM 971 N THR A 65 8.838 1.036 -13.155 1.00 0.00 N ATOM 972 CA THR A 65 9.749 1.472 -12.059 1.00 0.00 C ATOM 973 C THR A 65 9.050 2.531 -11.205 1.00 0.00 C ATOM 974 O THR A 65 8.386 3.413 -11.713 1.00 0.00 O ATOM 975 CB THR A 65 11.026 2.064 -12.662 1.00 0.00 C ATOM 976 OG1 THR A 65 11.496 1.214 -13.699 1.00 0.00 O ATOM 977 CG2 THR A 65 12.095 2.189 -11.576 1.00 0.00 C ATOM 0 H THR A 65 8.789 1.668 -13.954 1.00 0.00 H new ATOM 0 HA THR A 65 10.005 0.614 -11.437 1.00 0.00 H new ATOM 0 HB THR A 65 10.812 3.051 -13.071 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.312 1.592 -14.087 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.003 2.610 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.733 2.842 -10.782 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.312 1.203 -11.164 1.00 0.00 H new ATOM 985 N VAL A 66 9.192 2.452 -9.910 1.00 0.00 N ATOM 986 CA VAL A 66 8.534 3.454 -9.025 1.00 0.00 C ATOM 987 C VAL A 66 9.603 4.263 -8.288 1.00 0.00 C ATOM 988 O VAL A 66 10.779 3.966 -8.359 1.00 0.00 O ATOM 989 CB VAL A 66 7.649 2.733 -8.008 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.763 1.716 -8.731 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.531 2.006 -6.991 1.00 0.00 C ATOM 0 H VAL A 66 9.735 1.737 -9.427 1.00 0.00 H new ATOM 0 HA VAL A 66 7.922 4.125 -9.628 1.00 0.00 H new ATOM 0 HB VAL A 66 7.021 3.460 -7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.132 1.202 -8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.135 2.232 -9.457 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.390 0.988 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.901 1.491 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.158 1.279 -7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.163 2.729 -6.475 1.00 0.00 H new ATOM 1001 N LEU A 67 9.204 5.283 -7.579 1.00 0.00 N ATOM 1002 CA LEU A 67 10.198 6.109 -6.837 1.00 0.00 C ATOM 1003 C LEU A 67 9.670 6.402 -5.432 1.00 0.00 C ATOM 1004 O LEU A 67 8.644 5.893 -5.024 1.00 0.00 O ATOM 1005 CB LEU A 67 10.423 7.427 -7.582 1.00 0.00 C ATOM 1006 CG LEU A 67 11.298 7.176 -8.810 1.00 0.00 C ATOM 1007 CD1 LEU A 67 10.631 7.785 -10.046 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.667 7.826 -8.601 1.00 0.00 C ATOM 0 H LEU A 67 8.233 5.580 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 67 11.140 5.566 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.467 7.854 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.901 8.152 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 67 11.421 6.103 -8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.255 7.606 -10.922 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.654 7.325 -10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.508 8.858 -9.901 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.292 7.648 -9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.542 8.899 -8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.144 7.395 -7.721 1.00 0.00 H new ATOM 1020 N SER A 68 10.363 7.218 -4.685 1.00 0.00 N ATOM 1021 CA SER A 68 9.900 7.542 -3.306 1.00 0.00 C ATOM 1022 C SER A 68 8.626 8.384 -3.381 1.00 0.00 C ATOM 1023 O SER A 68 8.424 9.141 -4.309 1.00 0.00 O ATOM 1024 CB SER A 68 10.989 8.328 -2.575 1.00 0.00 C ATOM 1025 OG SER A 68 11.402 7.600 -1.426 1.00 0.00 O ATOM 0 H SER A 68 11.230 7.674 -4.970 1.00 0.00 H new ATOM 0 HA SER A 68 9.693 6.619 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.838 8.497 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.612 9.308 -2.283 1.00 0.00 H new ATOM 0 HG SER A 68 12.101 8.100 -0.956 1.00 0.00 H new ATOM 1031 N GLY A 69 7.763 8.258 -2.409 1.00 0.00 N ATOM 1032 CA GLY A 69 6.502 9.052 -2.426 1.00 0.00 C ATOM 1033 C GLY A 69 5.823 8.907 -3.789 1.00 0.00 C ATOM 1034 O GLY A 69 5.139 9.800 -4.251 1.00 0.00 O ATOM 0 H GLY A 69 7.877 7.640 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.833 8.708 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.718 10.101 -2.226 1.00 0.00 H new ATOM 1038 N GLU A 70 6.006 7.790 -4.437 1.00 0.00 N ATOM 1039 CA GLU A 70 5.370 7.588 -5.769 1.00 0.00 C ATOM 1040 C GLU A 70 3.908 7.180 -5.580 1.00 0.00 C ATOM 1041 O GLU A 70 3.610 6.122 -5.064 1.00 0.00 O ATOM 1042 CB GLU A 70 6.113 6.487 -6.529 1.00 0.00 C ATOM 1043 CG GLU A 70 5.373 6.174 -7.830 1.00 0.00 C ATOM 1044 CD GLU A 70 5.484 7.368 -8.781 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.318 8.222 -8.532 1.00 0.00 O ATOM 1046 OE2 GLU A 70 4.732 7.407 -9.741 1.00 0.00 O ATOM 0 H GLU A 70 6.569 7.008 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 70 5.417 8.517 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.133 6.805 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.183 5.590 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.796 5.284 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.325 5.958 -7.622 1.00 0.00 H new ATOM 1053 N LEU A 71 2.992 8.011 -5.995 1.00 0.00 N ATOM 1054 CA LEU A 71 1.549 7.670 -5.840 1.00 0.00 C ATOM 1055 C LEU A 71 1.211 6.469 -6.725 1.00 0.00 C ATOM 1056 O LEU A 71 1.338 6.520 -7.933 1.00 0.00 O ATOM 1057 CB LEU A 71 0.693 8.868 -6.256 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.782 8.468 -6.250 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.494 9.150 -5.082 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.432 8.903 -7.566 1.00 0.00 C ATOM 0 H LEU A 71 3.180 8.912 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 71 1.344 7.423 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.858 9.701 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.984 9.209 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.863 7.386 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.546 8.863 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.032 8.842 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.413 10.232 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.484 8.618 -7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.349 9.985 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.926 8.416 -8.400 1.00 0.00 H new ATOM 1072 N LEU A 72 0.781 5.387 -6.135 1.00 0.00 N ATOM 1073 CA LEU A 72 0.435 4.185 -6.944 1.00 0.00 C ATOM 1074 C LEU A 72 -1.027 4.271 -7.386 1.00 0.00 C ATOM 1075 O LEU A 72 -1.408 3.740 -8.410 1.00 0.00 O ATOM 1076 CB LEU A 72 0.639 2.926 -6.099 1.00 0.00 C ATOM 1077 CG LEU A 72 1.930 3.058 -5.290 1.00 0.00 C ATOM 1078 CD1 LEU A 72 1.939 2.018 -4.168 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.133 2.825 -6.208 1.00 0.00 C ATOM 0 H LEU A 72 0.655 5.284 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 72 1.078 4.141 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.209 2.783 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.689 2.048 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 72 1.987 4.058 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.859 2.112 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.083 2.181 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.881 1.018 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.054 2.919 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.074 1.825 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.129 3.565 -7.008 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.850 4.935 -6.621 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.287 5.053 -6.999 1.00 0.00 C ATOM 1093 C GLY A 73 -4.042 5.809 -5.905 1.00 0.00 C ATOM 1094 O GLY A 73 -3.517 6.066 -4.838 1.00 0.00 O ATOM 0 H GLY A 73 -1.590 5.400 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.382 5.577 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.720 4.062 -7.137 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.272 6.167 -6.158 1.00 0.00 N ATOM 1099 CA LYS A 74 -6.058 6.906 -5.131 1.00 0.00 C ATOM 1100 C LYS A 74 -7.402 6.205 -4.916 1.00 0.00 C ATOM 1101 O LYS A 74 -8.076 5.834 -5.857 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.302 8.339 -5.608 1.00 0.00 C ATOM 1103 CG LYS A 74 -4.995 9.131 -5.536 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.292 10.623 -5.693 1.00 0.00 C ATOM 1105 CE LYS A 74 -4.282 11.247 -6.657 1.00 0.00 C ATOM 1106 NZ LYS A 74 -5.007 11.951 -7.752 1.00 0.00 N ATOM 0 H LYS A 74 -5.765 5.979 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.503 6.925 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.680 8.334 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.063 8.815 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.498 8.947 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.314 8.801 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.305 10.765 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.239 11.119 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.639 11.947 -6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.635 10.474 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.319 12.375 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.602 11.271 -8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.606 12.699 -7.347 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.796 6.021 -3.686 1.00 0.00 N ATOM 1121 CA LEU A 75 -9.095 5.344 -3.413 1.00 0.00 C ATOM 1122 C LEU A 75 -10.203 6.394 -3.305 1.00 0.00 C ATOM 1123 O LEU A 75 -9.981 7.500 -2.853 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.999 4.565 -2.099 1.00 0.00 C ATOM 1125 CG LEU A 75 -10.181 3.601 -1.989 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.663 2.168 -1.863 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -11.010 3.953 -0.752 1.00 0.00 C ATOM 0 H LEU A 75 -7.275 6.310 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.324 4.655 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.060 4.012 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.999 5.254 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.802 3.685 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.506 1.482 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.071 1.916 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.042 2.083 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.853 3.267 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.388 3.869 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.380 4.974 -0.841 1.00 0.00 H new ATOM 1139 N THR A 76 -11.395 6.056 -3.714 1.00 0.00 N ATOM 1140 CA THR A 76 -12.516 7.034 -3.633 1.00 0.00 C ATOM 1141 C THR A 76 -13.378 6.723 -2.408 1.00 0.00 C ATOM 1142 O THR A 76 -13.214 5.706 -1.764 1.00 0.00 O ATOM 1143 CB THR A 76 -13.372 6.936 -4.898 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.525 6.888 -6.038 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.290 8.155 -4.992 1.00 0.00 C ATOM 0 H THR A 76 -11.641 5.145 -4.101 1.00 0.00 H new ATOM 0 HA THR A 76 -12.112 8.042 -3.546 1.00 0.00 H new ATOM 0 HB THR A 76 -13.979 6.031 -4.857 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.267 5.959 -6.215 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.899 8.083 -5.893 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.939 8.190 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.687 9.062 -5.032 1.00 0.00 H new ATOM 1153 N GLU A 77 -14.295 7.591 -2.080 1.00 0.00 N ATOM 1154 CA GLU A 77 -15.166 7.344 -0.897 1.00 0.00 C ATOM 1155 C GLU A 77 -15.929 6.032 -1.091 1.00 0.00 C ATOM 1156 O GLU A 77 -15.638 5.036 -0.459 1.00 0.00 O ATOM 1157 CB GLU A 77 -16.163 8.496 -0.748 1.00 0.00 C ATOM 1158 CG GLU A 77 -15.436 9.737 -0.225 1.00 0.00 C ATOM 1159 CD GLU A 77 -15.582 9.812 1.295 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -15.291 8.823 1.948 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -15.983 10.857 1.781 1.00 0.00 O ATOM 0 H GLU A 77 -14.479 8.461 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.550 7.278 0.000 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.630 8.713 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.961 8.213 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.382 9.696 -0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.849 10.634 -0.685 1.00 0.00 H new ATOM 1168 N GLY A 78 -16.902 6.023 -1.960 1.00 0.00 N ATOM 1169 CA GLY A 78 -17.682 4.774 -2.193 1.00 0.00 C ATOM 1170 C GLY A 78 -19.176 5.077 -2.079 1.00 0.00 C ATOM 1171 O GLY A 78 -19.587 5.968 -1.362 1.00 0.00 O ATOM 0 H GLY A 78 -17.191 6.826 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -17.456 4.370 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -17.398 4.014 -1.465 1.00 0.00 H new ATOM 1175 N GLY A 79 -19.995 4.341 -2.781 1.00 0.00 N ATOM 1176 CA GLY A 79 -21.463 4.586 -2.712 1.00 0.00 C ATOM 1177 C GLY A 79 -22.214 3.279 -2.971 1.00 0.00 C ATOM 1178 O GLY A 79 -22.406 2.532 -2.026 1.00 0.00 O ATOM 0 H GLY A 79 -19.710 3.581 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -21.730 4.983 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -21.752 5.335 -3.449 1.00 0.00 H new TER 1182 GLY A 79