USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 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+ 141:sc= -0.191 (180deg=-0.626) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 5:sc= 0.326 USER MOD Single : A 20 THR OG1 : rot -5:sc= 1.05 USER MOD Single : A 22 HIS : no HD1:sc= -8.71! C(o=-8.7!,f=-22!) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0496) 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 180:sc= 0.206 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+ -154:sc= -0.613 (180deg=-1.86!) 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 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 91:sc= 0.808 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.264 8.544 1.093 1.00 0.00 N ATOM 2 CA ALA A 1 -10.228 9.241 0.279 1.00 0.00 C ATOM 3 C ALA A 1 -8.838 8.888 0.813 1.00 0.00 C ATOM 4 O ALA A 1 -8.230 9.647 1.540 1.00 0.00 O ATOM 5 CB ALA A 1 -10.439 10.753 0.371 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.077 9.177 1.237 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.577 7.686 0.596 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.862 8.282 2.016 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.310 8.925 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.681 11.263 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.429 11.006 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.357 11.069 1.411 1.00 0.00 H new ATOM 13 N ILE A 2 -8.330 7.739 0.457 1.00 0.00 N ATOM 14 CA ILE A 2 -6.980 7.338 0.944 1.00 0.00 C ATOM 15 C ILE A 2 -6.016 7.250 -0.240 1.00 0.00 C ATOM 16 O ILE A 2 -6.034 6.301 -1.000 1.00 0.00 O ATOM 17 CB ILE A 2 -7.072 5.973 1.630 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.210 5.992 2.652 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.752 5.671 2.343 1.00 0.00 C ATOM 20 CD1 ILE A 2 -7.866 6.963 3.783 1.00 0.00 C ATOM 0 H ILE A 2 -8.792 7.061 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.614 8.079 1.655 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.267 5.203 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.140 6.293 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.369 4.991 3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.817 4.699 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.940 5.658 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.558 6.441 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.677 6.976 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.946 6.642 4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.729 7.964 3.374 1.00 0.00 H new ATOM 32 N ASP A 3 -5.173 8.232 -0.406 1.00 0.00 N ATOM 33 CA ASP A 3 -4.209 8.204 -1.541 1.00 0.00 C ATOM 34 C ASP A 3 -3.134 7.149 -1.271 1.00 0.00 C ATOM 35 O ASP A 3 -2.694 6.968 -0.153 1.00 0.00 O ATOM 36 CB ASP A 3 -3.551 9.578 -1.684 1.00 0.00 C ATOM 37 CG ASP A 3 -2.848 9.668 -3.040 1.00 0.00 C ATOM 38 OD1 ASP A 3 -2.829 8.671 -3.743 1.00 0.00 O ATOM 39 OD2 ASP A 3 -2.340 10.732 -3.352 1.00 0.00 O ATOM 0 H ASP A 3 -5.110 9.053 0.196 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.738 7.956 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.302 10.363 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.833 9.735 -0.879 1.00 0.00 H new ATOM 44 N ILE A 4 -2.707 6.451 -2.287 1.00 0.00 N ATOM 45 CA ILE A 4 -1.662 5.407 -2.088 1.00 0.00 C ATOM 46 C ILE A 4 -0.367 5.845 -2.778 1.00 0.00 C ATOM 47 O ILE A 4 -0.240 5.776 -3.984 1.00 0.00 O ATOM 48 CB ILE A 4 -2.138 4.086 -2.692 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.650 3.951 -2.493 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.429 2.922 -2.000 1.00 0.00 C ATOM 51 CD1 ILE A 4 -3.966 3.913 -0.997 1.00 0.00 C ATOM 0 H ILE A 4 -3.036 6.558 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.480 5.274 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.907 4.070 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.166 4.788 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.011 3.043 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.769 1.981 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.352 3.017 -2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.659 2.937 -0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.042 3.817 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.462 3.061 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.619 4.834 -0.528 1.00 0.00 H new ATOM 63 N LYS A 5 0.596 6.295 -2.021 1.00 0.00 N ATOM 64 CA LYS A 5 1.880 6.736 -2.633 1.00 0.00 C ATOM 65 C LYS A 5 2.954 5.675 -2.385 1.00 0.00 C ATOM 66 O LYS A 5 2.788 4.789 -1.569 1.00 0.00 O ATOM 67 CB LYS A 5 2.318 8.061 -2.004 1.00 0.00 C ATOM 68 CG LYS A 5 2.193 7.971 -0.482 1.00 0.00 C ATOM 69 CD LYS A 5 0.802 8.445 -0.055 1.00 0.00 C ATOM 70 CE LYS A 5 0.934 9.691 0.824 1.00 0.00 C ATOM 71 NZ LYS A 5 -0.215 9.755 1.770 1.00 0.00 N ATOM 0 H LYS A 5 0.549 6.376 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 5 1.743 6.871 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.348 8.285 -2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.702 8.876 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.356 6.945 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.959 8.583 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.197 8.669 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.289 7.654 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.873 9.661 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.958 10.586 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.126 10.601 2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.104 9.802 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.218 8.906 2.371 1.00 0.00 H new ATOM 85 N ALA A 6 4.055 5.758 -3.080 1.00 0.00 N ATOM 86 CA ALA A 6 5.138 4.753 -2.883 1.00 0.00 C ATOM 87 C ALA A 6 5.829 5.005 -1.539 1.00 0.00 C ATOM 88 O ALA A 6 5.747 6.088 -0.996 1.00 0.00 O ATOM 89 CB ALA A 6 6.161 4.876 -4.015 1.00 0.00 C ATOM 0 H ALA A 6 4.252 6.478 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 6 4.710 3.751 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.953 4.141 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.669 4.697 -4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.590 5.878 -4.010 1.00 0.00 H new ATOM 95 N PRO A 7 6.494 3.991 -1.047 1.00 0.00 N ATOM 96 CA PRO A 7 7.216 4.063 0.236 1.00 0.00 C ATOM 97 C PRO A 7 8.547 4.799 0.058 1.00 0.00 C ATOM 98 O PRO A 7 9.014 5.000 -1.045 1.00 0.00 O ATOM 99 CB PRO A 7 7.448 2.594 0.599 1.00 0.00 C ATOM 100 CG PRO A 7 7.365 1.798 -0.726 1.00 0.00 C ATOM 101 CD PRO A 7 6.585 2.680 -1.720 1.00 0.00 C ATOM 0 HA PRO A 7 6.670 4.606 1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.421 2.460 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.697 2.246 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.361 1.573 -1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.859 0.844 -0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.104 2.758 -2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.597 2.269 -1.927 1.00 0.00 H new ATOM 109 N THR A 8 9.161 5.202 1.137 1.00 0.00 N ATOM 110 CA THR A 8 10.461 5.923 1.030 1.00 0.00 C ATOM 111 C THR A 8 11.609 4.913 1.070 1.00 0.00 C ATOM 112 O THR A 8 11.897 4.328 2.096 1.00 0.00 O ATOM 113 CB THR A 8 10.599 6.902 2.199 1.00 0.00 C ATOM 114 OG1 THR A 8 9.314 7.380 2.568 1.00 0.00 O ATOM 115 CG2 THR A 8 11.483 8.078 1.780 1.00 0.00 C ATOM 0 H THR A 8 8.819 5.063 2.088 1.00 0.00 H new ATOM 0 HA THR A 8 10.495 6.474 0.090 1.00 0.00 H new ATOM 0 HB THR A 8 11.055 6.393 3.048 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.400 8.006 3.317 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.581 8.775 2.613 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.469 7.709 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.030 8.589 0.931 1.00 0.00 H new ATOM 123 N PHE A 9 12.267 4.704 -0.036 1.00 0.00 N ATOM 124 CA PHE A 9 13.396 3.731 -0.059 1.00 0.00 C ATOM 125 C PHE A 9 14.483 4.188 0.919 1.00 0.00 C ATOM 126 O PHE A 9 14.660 5.369 1.138 1.00 0.00 O ATOM 127 CB PHE A 9 13.979 3.659 -1.472 1.00 0.00 C ATOM 128 CG PHE A 9 12.864 3.448 -2.467 1.00 0.00 C ATOM 129 CD1 PHE A 9 12.043 2.318 -2.369 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.652 4.382 -3.490 1.00 0.00 C ATOM 131 CE1 PHE A 9 11.008 2.121 -3.293 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.617 4.186 -4.414 1.00 0.00 C ATOM 133 CZ PHE A 9 10.795 3.055 -4.316 1.00 0.00 C ATOM 0 H PHE A 9 12.072 5.164 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 9 13.033 2.746 0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.517 4.579 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.699 2.843 -1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.207 1.598 -1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.286 5.253 -3.566 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.375 1.250 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.453 4.906 -5.202 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.998 2.903 -5.029 1.00 0.00 H new ATOM 143 N PRO A 10 15.181 3.231 1.476 1.00 0.00 N ATOM 144 CA PRO A 10 16.264 3.495 2.438 1.00 0.00 C ATOM 145 C PRO A 10 17.532 3.941 1.704 1.00 0.00 C ATOM 146 O PRO A 10 17.484 4.372 0.569 1.00 0.00 O ATOM 147 CB PRO A 10 16.475 2.140 3.120 1.00 0.00 C ATOM 148 CG PRO A 10 15.925 1.070 2.146 1.00 0.00 C ATOM 149 CD PRO A 10 14.953 1.797 1.197 1.00 0.00 C ATOM 0 HA PRO A 10 16.027 4.290 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.531 1.970 3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.952 2.101 4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.735 0.602 1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.414 0.276 2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.159 1.556 0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.919 1.513 1.391 1.00 0.00 H new ATOM 157 N GLU A 11 18.666 3.841 2.343 1.00 0.00 N ATOM 158 CA GLU A 11 19.933 4.258 1.681 1.00 0.00 C ATOM 159 C GLU A 11 20.374 3.175 0.694 1.00 0.00 C ATOM 160 O GLU A 11 20.519 3.421 -0.487 1.00 0.00 O ATOM 161 CB GLU A 11 21.020 4.457 2.739 1.00 0.00 C ATOM 162 CG GLU A 11 21.403 5.937 2.807 1.00 0.00 C ATOM 163 CD GLU A 11 22.906 6.065 3.060 1.00 0.00 C ATOM 164 OE1 GLU A 11 23.592 5.062 2.956 1.00 0.00 O ATOM 165 OE2 GLU A 11 23.346 7.165 3.352 1.00 0.00 O ATOM 0 H GLU A 11 18.769 3.489 3.295 1.00 0.00 H new ATOM 0 HA GLU A 11 19.772 5.194 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.662 4.118 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.895 3.855 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.137 6.435 1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.846 6.431 3.603 1.00 0.00 H new ATOM 172 N SER A 12 20.589 1.979 1.170 1.00 0.00 N ATOM 173 CA SER A 12 21.021 0.879 0.263 1.00 0.00 C ATOM 174 C SER A 12 20.207 0.932 -1.032 1.00 0.00 C ATOM 175 O SER A 12 20.751 1.011 -2.116 1.00 0.00 O ATOM 176 CB SER A 12 20.796 -0.467 0.952 1.00 0.00 C ATOM 177 OG SER A 12 21.753 -1.403 0.474 1.00 0.00 O ATOM 0 H SER A 12 20.484 1.716 2.150 1.00 0.00 H new ATOM 0 HA SER A 12 22.079 0.996 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.887 -0.356 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.787 -0.827 0.753 1.00 0.00 H new ATOM 0 HG SER A 12 21.614 -2.267 0.914 1.00 0.00 H new ATOM 183 N ILE A 13 18.907 0.889 -0.928 1.00 0.00 N ATOM 184 CA ILE A 13 18.060 0.935 -2.153 1.00 0.00 C ATOM 185 C ILE A 13 17.624 2.378 -2.417 1.00 0.00 C ATOM 186 O ILE A 13 17.239 3.095 -1.515 1.00 0.00 O ATOM 187 CB ILE A 13 16.823 0.059 -1.952 1.00 0.00 C ATOM 188 CG1 ILE A 13 17.241 -1.271 -1.320 1.00 0.00 C ATOM 189 CG2 ILE A 13 16.160 -0.208 -3.305 1.00 0.00 C ATOM 190 CD1 ILE A 13 18.410 -1.867 -2.107 1.00 0.00 C ATOM 0 H ILE A 13 18.395 0.824 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 13 18.632 0.566 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 13 16.118 0.570 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.530 -1.116 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 13 16.400 -1.964 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.278 -0.833 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.865 0.738 -3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.864 -0.720 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.707 -2.814 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 13 18.105 -2.037 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.252 -1.176 -2.087 1.00 0.00 H new ATOM 202 N ALA A 14 17.680 2.810 -3.648 1.00 0.00 N ATOM 203 CA ALA A 14 17.268 4.206 -3.967 1.00 0.00 C ATOM 204 C ALA A 14 16.153 4.181 -5.014 1.00 0.00 C ATOM 205 O ALA A 14 15.834 5.184 -5.620 1.00 0.00 O ATOM 206 CB ALA A 14 18.468 4.979 -4.519 1.00 0.00 C ATOM 0 H ALA A 14 17.993 2.257 -4.446 1.00 0.00 H new ATOM 0 HA ALA A 14 16.907 4.694 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.167 6.000 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.263 4.997 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.830 4.491 -5.424 1.00 0.00 H new ATOM 212 N ASP A 15 15.557 3.041 -5.231 1.00 0.00 N ATOM 213 CA ASP A 15 14.462 2.951 -6.239 1.00 0.00 C ATOM 214 C ASP A 15 13.567 1.755 -5.912 1.00 0.00 C ATOM 215 O ASP A 15 13.696 1.135 -4.876 1.00 0.00 O ATOM 216 CB ASP A 15 15.066 2.772 -7.634 1.00 0.00 C ATOM 217 CG ASP A 15 16.349 1.944 -7.533 1.00 0.00 C ATOM 218 OD1 ASP A 15 17.395 2.532 -7.313 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.262 0.736 -7.679 1.00 0.00 O ATOM 0 H ASP A 15 15.781 2.168 -4.754 1.00 0.00 H new ATOM 0 HA ASP A 15 13.869 3.865 -6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.351 2.276 -8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.282 3.745 -8.076 1.00 0.00 H new ATOM 224 N GLY A 16 12.659 1.424 -6.790 1.00 0.00 N ATOM 225 CA GLY A 16 11.756 0.267 -6.527 1.00 0.00 C ATOM 226 C GLY A 16 11.068 -0.151 -7.827 1.00 0.00 C ATOM 227 O GLY A 16 11.267 0.444 -8.867 1.00 0.00 O ATOM 0 H GLY A 16 12.504 1.904 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.327 -0.568 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.010 0.537 -5.779 1.00 0.00 H new ATOM 231 N THR A 17 10.256 -1.172 -7.776 1.00 0.00 N ATOM 232 CA THR A 17 9.555 -1.628 -9.010 1.00 0.00 C ATOM 233 C THR A 17 8.208 -2.248 -8.629 1.00 0.00 C ATOM 234 O THR A 17 8.144 -3.224 -7.908 1.00 0.00 O ATOM 235 CB THR A 17 10.412 -2.673 -9.728 1.00 0.00 C ATOM 236 OG1 THR A 17 11.545 -2.038 -10.303 1.00 0.00 O ATOM 237 CG2 THR A 17 9.588 -3.346 -10.826 1.00 0.00 C ATOM 0 H THR A 17 10.048 -1.709 -6.934 1.00 0.00 H new ATOM 0 HA THR A 17 9.391 -0.777 -9.671 1.00 0.00 H new ATOM 0 HB THR A 17 10.741 -3.427 -9.013 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.556 -1.092 -10.046 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.200 -4.090 -11.336 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.720 -3.833 -10.382 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.256 -2.596 -11.543 1.00 0.00 H new ATOM 245 N VAL A 18 7.130 -1.690 -9.109 1.00 0.00 N ATOM 246 CA VAL A 18 5.790 -2.249 -8.773 1.00 0.00 C ATOM 247 C VAL A 18 5.830 -3.774 -8.892 1.00 0.00 C ATOM 248 O VAL A 18 6.722 -4.335 -9.496 1.00 0.00 O ATOM 249 CB VAL A 18 4.747 -1.688 -9.743 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.358 -2.194 -9.348 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.767 -0.159 -9.682 1.00 0.00 C ATOM 0 H VAL A 18 7.119 -0.872 -9.719 1.00 0.00 H new ATOM 0 HA VAL A 18 5.524 -1.971 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 18 4.979 -2.016 -10.756 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.615 -1.795 -10.039 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.342 -3.283 -9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.125 -1.865 -8.335 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.025 0.242 -10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.534 0.168 -8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.756 0.203 -9.962 1.00 0.00 H new ATOM 261 N ALA A 19 4.872 -4.449 -8.319 1.00 0.00 N ATOM 262 CA ALA A 19 4.858 -5.937 -8.400 1.00 0.00 C ATOM 263 C ALA A 19 3.769 -6.387 -9.375 1.00 0.00 C ATOM 264 O ALA A 19 4.046 -6.787 -10.488 1.00 0.00 O ATOM 265 CB ALA A 19 4.575 -6.521 -7.014 1.00 0.00 C ATOM 0 H ALA A 19 4.099 -4.035 -7.798 1.00 0.00 H new ATOM 0 HA ALA A 19 5.827 -6.289 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.565 -7.609 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.352 -6.203 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.606 -6.168 -6.661 1.00 0.00 H new ATOM 271 N THR A 20 2.530 -6.326 -8.966 1.00 0.00 N ATOM 272 CA THR A 20 1.426 -6.753 -9.871 1.00 0.00 C ATOM 273 C THR A 20 0.107 -6.143 -9.392 1.00 0.00 C ATOM 274 O THR A 20 -0.192 -6.135 -8.215 1.00 0.00 O ATOM 275 CB THR A 20 1.317 -8.280 -9.856 1.00 0.00 C ATOM 276 OG1 THR A 20 2.428 -8.839 -10.543 1.00 0.00 O ATOM 277 CG2 THR A 20 0.020 -8.707 -10.544 1.00 0.00 C ATOM 0 H THR A 20 2.236 -5.999 -8.046 1.00 0.00 H new ATOM 0 HA THR A 20 1.636 -6.413 -10.885 1.00 0.00 H new ATOM 0 HB THR A 20 1.312 -8.635 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.961 -8.120 -10.943 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.057 -9.794 -10.533 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.831 -8.278 -10.015 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.022 -8.354 -11.575 1.00 0.00 H new ATOM 285 N TRP A 21 -0.685 -5.633 -10.295 1.00 0.00 N ATOM 286 CA TRP A 21 -1.978 -5.028 -9.900 1.00 0.00 C ATOM 287 C TRP A 21 -3.070 -6.100 -9.916 1.00 0.00 C ATOM 288 O TRP A 21 -3.786 -6.254 -10.885 1.00 0.00 O ATOM 289 CB TRP A 21 -2.325 -3.926 -10.897 1.00 0.00 C ATOM 290 CG TRP A 21 -1.775 -2.623 -10.416 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.622 -2.058 -10.843 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.333 -1.714 -9.425 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.439 -0.859 -10.175 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.463 -0.606 -9.294 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.497 -1.741 -8.634 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.733 0.435 -8.415 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.776 -0.690 -7.743 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.894 0.397 -7.634 1.00 0.00 C ATOM 0 H TRP A 21 -0.486 -5.612 -11.295 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.905 -4.611 -8.896 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.914 -4.166 -11.877 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.406 -3.855 -11.014 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.046 -2.474 -11.583 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.358 -0.239 -10.319 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.180 -2.574 -8.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.051 1.269 -8.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.672 -0.719 -7.140 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.111 1.203 -6.948 1.00 0.00 H new ATOM 309 N HIS A 22 -3.195 -6.846 -8.851 1.00 0.00 N ATOM 310 CA HIS A 22 -4.245 -7.918 -8.810 1.00 0.00 C ATOM 311 C HIS A 22 -5.547 -7.381 -9.404 1.00 0.00 C ATOM 312 O HIS A 22 -6.101 -7.944 -10.327 1.00 0.00 O ATOM 313 CB HIS A 22 -4.501 -8.366 -7.364 1.00 0.00 C ATOM 314 CG HIS A 22 -3.230 -8.268 -6.576 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.809 -7.074 -6.021 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.251 -9.184 -6.287 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.622 -7.292 -5.442 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.232 -8.564 -5.569 1.00 0.00 N ATOM 0 H HIS A 22 -2.622 -6.765 -8.011 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.893 -8.771 -9.390 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.271 -7.742 -6.910 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.871 -9.391 -7.350 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.268 -10.225 -6.572 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.048 -6.531 -4.933 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.374 -8.988 -5.216 1.00 0.00 H new ATOM 326 N LYS A 23 -6.045 -6.293 -8.881 1.00 0.00 N ATOM 327 CA LYS A 23 -7.313 -5.722 -9.415 1.00 0.00 C ATOM 328 C LYS A 23 -7.017 -4.416 -10.153 1.00 0.00 C ATOM 329 O LYS A 23 -6.002 -3.783 -9.934 1.00 0.00 O ATOM 330 CB LYS A 23 -8.276 -5.447 -8.257 1.00 0.00 C ATOM 331 CG LYS A 23 -8.569 -6.752 -7.515 1.00 0.00 C ATOM 332 CD LYS A 23 -10.081 -6.908 -7.336 1.00 0.00 C ATOM 333 CE LYS A 23 -10.625 -7.865 -8.398 1.00 0.00 C ATOM 334 NZ LYS A 23 -11.796 -7.241 -9.077 1.00 0.00 N ATOM 0 H LYS A 23 -5.628 -5.776 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.767 -6.433 -10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.841 -4.718 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.203 -5.016 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.169 -7.598 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.075 -6.749 -6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.302 -7.290 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.570 -5.938 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.848 -8.095 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.919 -8.808 -7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.258 -7.944 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.473 -6.904 -8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.475 -6.438 -9.655 1.00 0.00 H new ATOM 348 N LYS A 24 -7.896 -4.006 -11.026 1.00 0.00 N ATOM 349 CA LYS A 24 -7.666 -2.740 -11.779 1.00 0.00 C ATOM 350 C LYS A 24 -8.423 -1.596 -11.096 1.00 0.00 C ATOM 351 O LYS A 24 -9.248 -1.829 -10.235 1.00 0.00 O ATOM 352 CB LYS A 24 -8.175 -2.901 -13.213 1.00 0.00 C ATOM 353 CG LYS A 24 -6.999 -3.203 -14.143 1.00 0.00 C ATOM 354 CD LYS A 24 -7.408 -2.930 -15.591 1.00 0.00 C ATOM 355 CE LYS A 24 -6.973 -4.101 -16.474 1.00 0.00 C ATOM 356 NZ LYS A 24 -8.063 -4.427 -17.438 1.00 0.00 N ATOM 0 H LYS A 24 -8.764 -4.493 -11.251 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.600 -2.514 -11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.907 -3.707 -13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.682 -1.991 -13.534 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.142 -2.586 -13.874 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.691 -4.243 -14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.488 -2.794 -15.656 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.948 -2.006 -15.942 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.061 -3.845 -17.013 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.746 -4.971 -15.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.768 -5.223 -18.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.923 -4.688 -16.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.259 -3.597 -18.034 1.00 0.00 H new ATOM 370 N PRO A 25 -8.115 -0.393 -11.505 1.00 0.00 N ATOM 371 CA PRO A 25 -8.749 0.819 -10.957 1.00 0.00 C ATOM 372 C PRO A 25 -10.156 0.994 -11.534 1.00 0.00 C ATOM 373 O PRO A 25 -10.328 1.435 -12.653 1.00 0.00 O ATOM 374 CB PRO A 25 -7.823 1.949 -11.417 1.00 0.00 C ATOM 375 CG PRO A 25 -7.054 1.407 -12.646 1.00 0.00 C ATOM 376 CD PRO A 25 -7.108 -0.129 -12.554 1.00 0.00 C ATOM 0 HA PRO A 25 -8.868 0.788 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.396 2.839 -11.678 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.134 2.235 -10.622 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.509 1.756 -13.573 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.023 1.760 -12.645 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.397 -0.575 -13.505 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.137 -0.547 -12.288 1.00 0.00 H new ATOM 384 N GLY A 26 -11.163 0.652 -10.779 1.00 0.00 N ATOM 385 CA GLY A 26 -12.558 0.797 -11.285 1.00 0.00 C ATOM 386 C GLY A 26 -13.354 -0.470 -10.966 1.00 0.00 C ATOM 387 O GLY A 26 -14.543 -0.544 -11.205 1.00 0.00 O ATOM 0 H GLY A 26 -11.081 0.278 -9.833 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.034 1.663 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.549 0.972 -12.361 1.00 0.00 H new ATOM 391 N GLU A 27 -12.709 -1.470 -10.429 1.00 0.00 N ATOM 392 CA GLU A 27 -13.431 -2.731 -10.098 1.00 0.00 C ATOM 393 C GLU A 27 -13.967 -2.651 -8.666 1.00 0.00 C ATOM 394 O GLU A 27 -13.898 -1.622 -8.025 1.00 0.00 O ATOM 395 CB GLU A 27 -12.470 -3.915 -10.217 1.00 0.00 C ATOM 396 CG GLU A 27 -12.270 -4.266 -11.693 1.00 0.00 C ATOM 397 CD GLU A 27 -11.937 -2.997 -12.479 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.797 -2.567 -12.417 1.00 0.00 O ATOM 399 OE2 GLU A 27 -12.827 -2.474 -13.131 1.00 0.00 O ATOM 0 H GLU A 27 -11.714 -1.468 -10.205 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.262 -2.866 -10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.513 -3.667 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.868 -4.775 -9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.465 -4.994 -11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.172 -4.728 -12.093 1.00 0.00 H new ATOM 406 N ALA A 28 -14.500 -3.730 -8.161 1.00 0.00 N ATOM 407 CA ALA A 28 -15.039 -3.713 -6.772 1.00 0.00 C ATOM 408 C ALA A 28 -13.991 -4.281 -5.812 1.00 0.00 C ATOM 409 O ALA A 28 -13.193 -5.122 -6.174 1.00 0.00 O ATOM 410 CB ALA A 28 -16.306 -4.568 -6.707 1.00 0.00 C ATOM 0 H ALA A 28 -14.585 -4.621 -8.650 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.277 -2.688 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.701 -4.556 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.052 -4.165 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.068 -5.593 -6.992 1.00 0.00 H new ATOM 416 N VAL A 29 -13.987 -3.827 -4.588 1.00 0.00 N ATOM 417 CA VAL A 29 -12.992 -4.341 -3.606 1.00 0.00 C ATOM 418 C VAL A 29 -13.689 -4.628 -2.275 1.00 0.00 C ATOM 419 O VAL A 29 -14.772 -4.143 -2.014 1.00 0.00 O ATOM 420 CB VAL A 29 -11.898 -3.293 -3.393 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.938 -3.308 -4.584 1.00 0.00 C ATOM 422 CG2 VAL A 29 -12.537 -1.908 -3.274 1.00 0.00 C ATOM 0 H VAL A 29 -14.630 -3.123 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.546 -5.260 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.349 -3.522 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.158 -2.561 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.483 -4.295 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.487 -3.079 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.759 -1.160 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.085 -1.681 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.223 -1.895 -2.427 1.00 0.00 H new ATOM 432 N LYS A 30 -13.078 -5.412 -1.431 1.00 0.00 N ATOM 433 CA LYS A 30 -13.707 -5.729 -0.118 1.00 0.00 C ATOM 434 C LYS A 30 -12.700 -5.475 1.006 1.00 0.00 C ATOM 435 O LYS A 30 -11.547 -5.849 0.915 1.00 0.00 O ATOM 436 CB LYS A 30 -14.134 -7.198 -0.097 1.00 0.00 C ATOM 437 CG LYS A 30 -15.166 -7.415 1.011 1.00 0.00 C ATOM 438 CD LYS A 30 -14.856 -8.719 1.749 1.00 0.00 C ATOM 439 CE LYS A 30 -15.790 -8.859 2.953 1.00 0.00 C ATOM 440 NZ LYS A 30 -15.096 -9.609 4.037 1.00 0.00 N ATOM 0 H LYS A 30 -12.170 -5.847 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.581 -5.094 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.557 -7.478 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.267 -7.837 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.148 -6.577 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.169 -7.455 0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.982 -9.568 1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.817 -8.724 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.088 -7.874 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.701 -9.381 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.731 -9.704 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.833 -10.554 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.239 -9.093 4.322 1.00 0.00 H new ATOM 454 N ARG A 31 -13.126 -4.840 2.064 1.00 0.00 N ATOM 455 CA ARG A 31 -12.197 -4.559 3.193 1.00 0.00 C ATOM 456 C ARG A 31 -11.339 -5.795 3.472 1.00 0.00 C ATOM 457 O ARG A 31 -11.811 -6.913 3.426 1.00 0.00 O ATOM 458 CB ARG A 31 -13.007 -4.207 4.443 1.00 0.00 C ATOM 459 CG ARG A 31 -12.058 -4.004 5.626 1.00 0.00 C ATOM 460 CD ARG A 31 -12.566 -2.853 6.496 1.00 0.00 C ATOM 461 NE ARG A 31 -11.866 -2.880 7.812 1.00 0.00 N ATOM 462 CZ ARG A 31 -12.479 -2.458 8.884 1.00 0.00 C ATOM 463 NH1 ARG A 31 -12.627 -1.178 9.092 1.00 0.00 N ATOM 464 NH2 ARG A 31 -12.945 -3.318 9.749 1.00 0.00 N ATOM 0 H ARG A 31 -14.080 -4.503 2.194 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.550 -3.722 2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.588 -3.301 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.717 -5.003 4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.994 -4.919 6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.053 -3.786 5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.389 -1.900 5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.643 -2.941 6.642 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.909 -3.228 7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.263 -0.506 8.416 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.106 -0.850 9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.830 -4.318 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.424 -2.989 10.587 1.00 0.00 H new ATOM 478 N ASP A 32 -10.082 -5.603 3.763 1.00 0.00 N ATOM 479 CA ASP A 32 -9.195 -6.767 4.045 1.00 0.00 C ATOM 480 C ASP A 32 -8.937 -7.539 2.749 1.00 0.00 C ATOM 481 O ASP A 32 -9.035 -8.749 2.707 1.00 0.00 O ATOM 482 CB ASP A 32 -9.872 -7.689 5.062 1.00 0.00 C ATOM 483 CG ASP A 32 -8.814 -8.551 5.753 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.746 -8.710 5.187 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.091 -9.037 6.838 1.00 0.00 O ATOM 0 H ASP A 32 -9.630 -4.690 3.818 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.248 -6.412 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.414 -7.098 5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.604 -8.324 4.563 1.00 0.00 H new ATOM 490 N GLU A 33 -8.607 -6.849 1.692 1.00 0.00 N ATOM 491 CA GLU A 33 -8.343 -7.544 0.401 1.00 0.00 C ATOM 492 C GLU A 33 -7.150 -6.890 -0.298 1.00 0.00 C ATOM 493 O GLU A 33 -7.155 -5.708 -0.578 1.00 0.00 O ATOM 494 CB GLU A 33 -9.579 -7.441 -0.495 1.00 0.00 C ATOM 495 CG GLU A 33 -9.347 -8.237 -1.781 1.00 0.00 C ATOM 496 CD GLU A 33 -10.676 -8.417 -2.517 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.594 -8.952 -1.918 1.00 0.00 O ATOM 498 OE2 GLU A 33 -10.753 -8.017 -3.666 1.00 0.00 O ATOM 0 H GLU A 33 -8.509 -5.834 1.667 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.119 -8.593 0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.454 -7.825 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.782 -6.397 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.633 -7.717 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.915 -9.210 -1.546 1.00 0.00 H new ATOM 505 N LEU A 34 -6.126 -7.649 -0.580 1.00 0.00 N ATOM 506 CA LEU A 34 -4.933 -7.074 -1.258 1.00 0.00 C ATOM 507 C LEU A 34 -5.383 -6.142 -2.385 1.00 0.00 C ATOM 508 O LEU A 34 -6.524 -6.165 -2.803 1.00 0.00 O ATOM 509 CB LEU A 34 -4.082 -8.205 -1.840 1.00 0.00 C ATOM 510 CG LEU A 34 -2.815 -7.623 -2.468 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.035 -6.839 -1.412 1.00 0.00 C ATOM 512 CD2 LEU A 34 -1.944 -8.761 -3.003 1.00 0.00 C ATOM 0 H LEU A 34 -6.066 -8.645 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.343 -6.510 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.818 -8.915 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.652 -8.754 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.088 -6.957 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.132 -6.424 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.655 -6.029 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.761 -7.504 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.040 -8.348 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.671 -9.426 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.499 -9.321 -3.756 1.00 0.00 H new ATOM 524 N ILE A 35 -4.498 -5.321 -2.881 1.00 0.00 N ATOM 525 CA ILE A 35 -4.881 -4.389 -3.980 1.00 0.00 C ATOM 526 C ILE A 35 -3.695 -4.202 -4.929 1.00 0.00 C ATOM 527 O ILE A 35 -3.848 -4.193 -6.133 1.00 0.00 O ATOM 528 CB ILE A 35 -5.277 -3.037 -3.386 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.399 -3.238 -2.366 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.764 -2.112 -4.503 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.684 -3.638 -3.093 1.00 0.00 C ATOM 0 H ILE A 35 -3.528 -5.255 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.724 -4.805 -4.531 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.414 -2.589 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.119 -4.010 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.559 -2.320 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.046 -1.148 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.965 -1.969 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.628 -2.559 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.484 -3.781 -2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.966 -2.851 -3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.519 -4.567 -3.639 1.00 0.00 H new ATOM 543 N VAL A 36 -2.514 -4.050 -4.396 1.00 0.00 N ATOM 544 CA VAL A 36 -1.323 -3.862 -5.271 1.00 0.00 C ATOM 545 C VAL A 36 -0.066 -4.327 -4.532 1.00 0.00 C ATOM 546 O VAL A 36 0.142 -4.007 -3.379 1.00 0.00 O ATOM 547 CB VAL A 36 -1.184 -2.381 -5.630 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.875 -1.575 -4.368 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.044 -2.206 -6.636 1.00 0.00 C ATOM 0 H VAL A 36 -2.322 -4.048 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.446 -4.448 -6.182 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.116 -2.026 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.776 -0.520 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.685 -1.699 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.057 -1.930 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.056 -1.151 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.887 -2.562 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.262 -2.779 -7.537 1.00 0.00 H new ATOM 559 N ASP A 37 0.774 -5.080 -5.188 1.00 0.00 N ATOM 560 CA ASP A 37 2.017 -5.564 -4.524 1.00 0.00 C ATOM 561 C ASP A 37 3.199 -4.697 -4.961 1.00 0.00 C ATOM 562 O ASP A 37 3.154 -4.036 -5.979 1.00 0.00 O ATOM 563 CB ASP A 37 2.275 -7.019 -4.923 1.00 0.00 C ATOM 564 CG ASP A 37 1.442 -7.947 -4.037 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.290 -7.638 -2.866 1.00 0.00 O ATOM 566 OD2 ASP A 37 0.970 -8.952 -4.545 1.00 0.00 O ATOM 0 H ASP A 37 0.653 -5.381 -6.155 1.00 0.00 H new ATOM 0 HA ASP A 37 1.900 -5.500 -3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.017 -7.171 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.334 -7.253 -4.819 1.00 0.00 H new ATOM 571 N ILE A 38 4.259 -4.695 -4.199 1.00 0.00 N ATOM 572 CA ILE A 38 5.443 -3.870 -4.572 1.00 0.00 C ATOM 573 C ILE A 38 6.701 -4.740 -4.540 1.00 0.00 C ATOM 574 O ILE A 38 6.750 -5.755 -3.875 1.00 0.00 O ATOM 575 CB ILE A 38 5.593 -2.718 -3.577 1.00 0.00 C ATOM 576 CG1 ILE A 38 6.639 -1.728 -4.097 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.044 -3.268 -2.222 1.00 0.00 C ATOM 578 CD1 ILE A 38 6.877 -0.639 -3.051 1.00 0.00 C ATOM 0 H ILE A 38 4.356 -5.229 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 38 5.306 -3.468 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 38 4.635 -2.211 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.572 -2.249 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.299 -1.281 -5.031 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.151 -2.447 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.301 -3.974 -1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.002 -3.776 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.622 0.065 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.943 -0.111 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.236 -1.094 -2.128 1.00 0.00 H new ATOM 590 N GLU A 39 7.721 -4.350 -5.255 1.00 0.00 N ATOM 591 CA GLU A 39 8.975 -5.155 -5.267 1.00 0.00 C ATOM 592 C GLU A 39 10.169 -4.241 -4.985 1.00 0.00 C ATOM 593 O GLU A 39 10.216 -3.110 -5.424 1.00 0.00 O ATOM 594 CB GLU A 39 9.148 -5.812 -6.638 1.00 0.00 C ATOM 595 CG GLU A 39 10.423 -6.656 -6.643 1.00 0.00 C ATOM 596 CD GLU A 39 10.079 -8.100 -7.013 1.00 0.00 C ATOM 597 OE1 GLU A 39 9.030 -8.305 -7.602 1.00 0.00 O ATOM 598 OE2 GLU A 39 10.870 -8.976 -6.701 1.00 0.00 O ATOM 0 H GLU A 39 7.740 -3.509 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 39 8.918 -5.927 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.285 -6.437 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.202 -5.049 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.139 -6.248 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.897 -6.624 -5.662 1.00 0.00 H new ATOM 605 N THR A 40 11.137 -4.725 -4.255 1.00 0.00 N ATOM 606 CA THR A 40 12.328 -3.884 -3.945 1.00 0.00 C ATOM 607 C THR A 40 13.603 -4.689 -4.217 1.00 0.00 C ATOM 608 O THR A 40 13.575 -5.698 -4.894 1.00 0.00 O ATOM 609 CB THR A 40 12.280 -3.459 -2.472 1.00 0.00 C ATOM 610 OG1 THR A 40 13.166 -2.367 -2.265 1.00 0.00 O ATOM 611 CG2 THR A 40 12.693 -4.631 -1.578 1.00 0.00 C ATOM 0 H THR A 40 11.155 -5.665 -3.860 1.00 0.00 H new ATOM 0 HA THR A 40 12.326 -2.994 -4.575 1.00 0.00 H new ATOM 0 HB THR A 40 11.264 -3.157 -2.218 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.134 -2.094 -1.324 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.657 -4.322 -0.533 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.010 -5.466 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.707 -4.941 -1.830 1.00 0.00 H new ATOM 619 N ASP A 41 14.719 -4.249 -3.700 1.00 0.00 N ATOM 620 CA ASP A 41 15.992 -4.987 -3.930 1.00 0.00 C ATOM 621 C ASP A 41 15.750 -6.491 -3.795 1.00 0.00 C ATOM 622 O ASP A 41 15.824 -7.231 -4.756 1.00 0.00 O ATOM 623 CB ASP A 41 17.032 -4.544 -2.898 1.00 0.00 C ATOM 624 CG ASP A 41 18.413 -4.492 -3.553 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.485 -4.117 -4.711 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.376 -4.830 -2.885 1.00 0.00 O ATOM 0 H ASP A 41 14.803 -3.409 -3.128 1.00 0.00 H new ATOM 0 HA ASP A 41 16.357 -4.770 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.770 -3.564 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.043 -5.237 -2.057 1.00 0.00 H new ATOM 631 N LYS A 42 15.459 -6.952 -2.609 1.00 0.00 N ATOM 632 CA LYS A 42 15.213 -8.408 -2.415 1.00 0.00 C ATOM 633 C LYS A 42 14.097 -8.606 -1.387 1.00 0.00 C ATOM 634 O LYS A 42 14.225 -9.379 -0.458 1.00 0.00 O ATOM 635 CB LYS A 42 16.493 -9.080 -1.913 1.00 0.00 C ATOM 636 CG LYS A 42 17.400 -9.403 -3.101 1.00 0.00 C ATOM 637 CD LYS A 42 18.519 -8.363 -3.187 1.00 0.00 C ATOM 638 CE LYS A 42 19.874 -9.071 -3.214 1.00 0.00 C ATOM 639 NZ LYS A 42 20.486 -9.027 -1.856 1.00 0.00 N ATOM 0 H LYS A 42 15.381 -6.383 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 42 14.916 -8.854 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.011 -8.423 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.248 -9.993 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.824 -10.401 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 42 16.820 -9.406 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.397 -7.755 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.467 -7.687 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.749 -10.105 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.533 -8.590 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 21.408 -9.509 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 20.619 -8.037 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.859 -9.505 -1.177 1.00 0.00 H new ATOM 653 N VAL A 43 13.002 -7.912 -1.545 1.00 0.00 N ATOM 654 CA VAL A 43 11.880 -8.060 -0.577 1.00 0.00 C ATOM 655 C VAL A 43 10.579 -7.586 -1.227 1.00 0.00 C ATOM 656 O VAL A 43 10.442 -6.436 -1.595 1.00 0.00 O ATOM 657 CB VAL A 43 12.165 -7.219 0.669 1.00 0.00 C ATOM 658 CG1 VAL A 43 10.980 -7.314 1.632 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.426 -7.743 1.360 1.00 0.00 C ATOM 0 H VAL A 43 12.837 -7.249 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 43 11.783 -9.108 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 43 12.314 -6.179 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.183 -6.715 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.081 -6.941 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.830 -8.354 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.630 -7.144 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.276 -8.783 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.271 -7.675 0.675 1.00 0.00 H new ATOM 669 N VAL A 44 9.623 -8.461 -1.371 1.00 0.00 N ATOM 670 CA VAL A 44 8.332 -8.059 -1.997 1.00 0.00 C ATOM 671 C VAL A 44 7.288 -7.820 -0.905 1.00 0.00 C ATOM 672 O VAL A 44 7.048 -8.666 -0.066 1.00 0.00 O ATOM 673 CB VAL A 44 7.849 -9.171 -2.930 1.00 0.00 C ATOM 674 CG1 VAL A 44 6.409 -8.890 -3.358 1.00 0.00 C ATOM 675 CG2 VAL A 44 8.747 -9.221 -4.168 1.00 0.00 C ATOM 0 H VAL A 44 9.680 -9.438 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 44 8.476 -7.142 -2.569 1.00 0.00 H new ATOM 0 HB VAL A 44 7.892 -10.127 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.066 -9.683 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.768 -8.852 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.365 -7.934 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.405 -10.013 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.703 -8.264 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.774 -9.421 -3.864 1.00 0.00 H new ATOM 685 N MET A 45 6.663 -6.674 -0.909 1.00 0.00 N ATOM 686 CA MET A 45 5.635 -6.383 0.129 1.00 0.00 C ATOM 687 C MET A 45 4.242 -6.452 -0.500 1.00 0.00 C ATOM 688 O MET A 45 4.094 -6.716 -1.678 1.00 0.00 O ATOM 689 CB MET A 45 5.868 -4.983 0.700 1.00 0.00 C ATOM 690 CG MET A 45 7.211 -4.948 1.432 1.00 0.00 C ATOM 691 SD MET A 45 7.682 -3.228 1.745 1.00 0.00 S ATOM 692 CE MET A 45 9.475 -3.474 1.711 1.00 0.00 C ATOM 0 H MET A 45 6.820 -5.927 -1.586 1.00 0.00 H new ATOM 0 HA MET A 45 5.709 -7.119 0.930 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.860 -4.245 -0.102 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.062 -4.719 1.384 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.139 -5.494 2.373 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.976 -5.443 0.834 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.976 -2.522 1.886 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.760 -4.182 2.489 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.770 -3.866 0.738 1.00 0.00 H new ATOM 702 N GLU A 46 3.219 -6.214 0.274 1.00 0.00 N ATOM 703 CA GLU A 46 1.837 -6.267 -0.282 1.00 0.00 C ATOM 704 C GLU A 46 1.053 -5.038 0.184 1.00 0.00 C ATOM 705 O GLU A 46 1.256 -4.536 1.271 1.00 0.00 O ATOM 706 CB GLU A 46 1.136 -7.535 0.211 1.00 0.00 C ATOM 707 CG GLU A 46 2.157 -8.668 0.332 1.00 0.00 C ATOM 708 CD GLU A 46 1.424 -10.007 0.434 1.00 0.00 C ATOM 709 OE1 GLU A 46 0.488 -10.206 -0.324 1.00 0.00 O ATOM 710 OE2 GLU A 46 1.810 -10.810 1.266 1.00 0.00 O ATOM 0 H GLU A 46 3.280 -5.985 1.266 1.00 0.00 H new ATOM 0 HA GLU A 46 1.884 -6.278 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.665 -7.351 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.343 -7.818 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.819 -8.669 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.782 -8.516 1.212 1.00 0.00 H new ATOM 717 N VAL A 47 0.159 -4.549 -0.631 1.00 0.00 N ATOM 718 CA VAL A 47 -0.636 -3.353 -0.234 1.00 0.00 C ATOM 719 C VAL A 47 -2.119 -3.724 -0.170 1.00 0.00 C ATOM 720 O VAL A 47 -2.767 -3.906 -1.181 1.00 0.00 O ATOM 721 CB VAL A 47 -0.432 -2.241 -1.264 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.132 -0.968 -0.787 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.064 -1.967 -1.429 1.00 0.00 C ATOM 0 H VAL A 47 -0.055 -4.926 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.306 -3.006 0.745 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.853 -2.551 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.986 -0.176 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.198 -1.162 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.711 -0.658 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.210 -1.175 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.485 -1.658 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.565 -2.873 -1.769 1.00 0.00 H new ATOM 733 N LEU A 48 -2.661 -3.836 1.012 1.00 0.00 N ATOM 734 CA LEU A 48 -4.102 -4.196 1.139 1.00 0.00 C ATOM 735 C LEU A 48 -4.945 -2.919 1.153 1.00 0.00 C ATOM 736 O LEU A 48 -4.450 -1.838 1.403 1.00 0.00 O ATOM 737 CB LEU A 48 -4.323 -4.967 2.441 1.00 0.00 C ATOM 738 CG LEU A 48 -4.781 -6.390 2.122 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.582 -7.224 1.667 1.00 0.00 C ATOM 740 CD2 LEU A 48 -5.393 -7.021 3.375 1.00 0.00 C ATOM 0 H LEU A 48 -2.169 -3.694 1.894 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.397 -4.819 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.401 -4.992 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.071 -4.462 3.052 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.526 -6.361 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.910 -8.238 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.144 -6.776 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.836 -7.253 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.720 -8.036 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.647 -7.049 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.248 -6.428 3.700 1.00 0.00 H new ATOM 752 N ALA A 49 -6.218 -3.035 0.885 1.00 0.00 N ATOM 753 CA ALA A 49 -7.092 -1.827 0.883 1.00 0.00 C ATOM 754 C ALA A 49 -7.487 -1.482 2.320 1.00 0.00 C ATOM 755 O ALA A 49 -7.404 -2.303 3.212 1.00 0.00 O ATOM 756 CB ALA A 49 -8.351 -2.110 0.061 1.00 0.00 C ATOM 0 H ALA A 49 -6.690 -3.913 0.668 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.553 -0.988 0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.990 -1.227 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.069 -2.356 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.891 -2.949 0.500 1.00 0.00 H new ATOM 762 N GLU A 50 -7.917 -0.273 2.553 1.00 0.00 N ATOM 763 CA GLU A 50 -8.318 0.124 3.932 1.00 0.00 C ATOM 764 C GLU A 50 -9.841 0.045 4.067 1.00 0.00 C ATOM 765 O GLU A 50 -10.398 0.362 5.099 1.00 0.00 O ATOM 766 CB GLU A 50 -7.856 1.557 4.205 1.00 0.00 C ATOM 767 CG GLU A 50 -6.903 1.567 5.401 1.00 0.00 C ATOM 768 CD GLU A 50 -7.695 1.823 6.684 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.591 2.650 6.649 1.00 0.00 O ATOM 770 OE2 GLU A 50 -7.391 1.188 7.680 1.00 0.00 O ATOM 0 H GLU A 50 -8.008 0.458 1.847 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.855 -0.551 4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.357 1.963 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.716 2.195 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.378 0.614 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.145 2.339 5.269 1.00 0.00 H new ATOM 777 N ALA A 51 -10.519 -0.375 3.034 1.00 0.00 N ATOM 778 CA ALA A 51 -12.005 -0.472 3.107 1.00 0.00 C ATOM 779 C ALA A 51 -12.578 -0.599 1.694 1.00 0.00 C ATOM 780 O ALA A 51 -11.970 -0.182 0.729 1.00 0.00 O ATOM 781 CB ALA A 51 -12.567 0.785 3.775 1.00 0.00 C ATOM 0 H ALA A 51 -10.109 -0.655 2.143 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.283 -1.349 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.653 0.714 3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.159 0.875 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.289 1.663 3.191 1.00 0.00 H new ATOM 787 N ASP A 52 -13.744 -1.172 1.566 1.00 0.00 N ATOM 788 CA ASP A 52 -14.354 -1.325 0.216 1.00 0.00 C ATOM 789 C ASP A 52 -14.665 0.059 -0.359 1.00 0.00 C ATOM 790 O ASP A 52 -14.573 1.064 0.318 1.00 0.00 O ATOM 791 CB ASP A 52 -15.636 -2.170 0.332 1.00 0.00 C ATOM 792 CG ASP A 52 -16.660 -1.773 -0.738 1.00 0.00 C ATOM 793 OD1 ASP A 52 -17.264 -0.723 -0.591 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.823 -2.527 -1.683 1.00 0.00 O ATOM 0 H ASP A 52 -14.300 -1.540 2.338 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.661 -1.832 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.389 -3.227 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.072 -2.040 1.323 1.00 0.00 H new ATOM 799 N GLY A 53 -15.033 0.111 -1.607 1.00 0.00 N ATOM 800 CA GLY A 53 -15.354 1.421 -2.239 1.00 0.00 C ATOM 801 C GLY A 53 -15.061 1.351 -3.740 1.00 0.00 C ATOM 802 O GLY A 53 -15.368 0.376 -4.396 1.00 0.00 O ATOM 0 H GLY A 53 -15.126 -0.699 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.402 1.669 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.763 2.213 -1.779 1.00 0.00 H new ATOM 806 N VAL A 54 -14.469 2.377 -4.286 1.00 0.00 N ATOM 807 CA VAL A 54 -14.157 2.367 -5.744 1.00 0.00 C ATOM 808 C VAL A 54 -12.777 2.987 -5.974 1.00 0.00 C ATOM 809 O VAL A 54 -12.447 4.014 -5.414 1.00 0.00 O ATOM 810 CB VAL A 54 -15.214 3.178 -6.495 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.744 3.429 -7.929 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.531 2.399 -6.521 1.00 0.00 C ATOM 0 H VAL A 54 -14.188 3.221 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.159 1.341 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.364 4.132 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.498 4.007 -8.463 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.806 3.984 -7.913 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.593 2.475 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.285 2.977 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.379 1.445 -7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.868 2.220 -5.500 1.00 0.00 H new ATOM 822 N ILE A 55 -11.971 2.373 -6.794 1.00 0.00 N ATOM 823 CA ILE A 55 -10.614 2.929 -7.061 1.00 0.00 C ATOM 824 C ILE A 55 -10.732 4.134 -7.995 1.00 0.00 C ATOM 825 O ILE A 55 -11.665 4.245 -8.766 1.00 0.00 O ATOM 826 CB ILE A 55 -9.749 1.855 -7.720 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.877 0.546 -6.933 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.288 2.309 -7.729 1.00 0.00 C ATOM 829 CD1 ILE A 55 -9.096 0.655 -5.621 1.00 0.00 C ATOM 0 H ILE A 55 -12.192 1.510 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.156 3.242 -6.123 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.083 1.696 -8.745 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.926 0.336 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.496 -0.285 -7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.672 1.543 -8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.200 3.240 -8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.950 2.469 -6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.189 -0.277 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.045 0.845 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.497 1.475 -5.026 1.00 0.00 H new ATOM 841 N ALA A 56 -9.794 5.039 -7.934 1.00 0.00 N ATOM 842 CA ALA A 56 -9.854 6.236 -8.818 1.00 0.00 C ATOM 843 C ALA A 56 -9.170 5.919 -10.150 1.00 0.00 C ATOM 844 O ALA A 56 -9.800 5.878 -11.188 1.00 0.00 O ATOM 845 CB ALA A 56 -9.138 7.406 -8.141 1.00 0.00 C ATOM 0 H ALA A 56 -8.988 5.001 -7.310 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.895 6.504 -8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.182 8.282 -8.788 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.625 7.631 -7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.097 7.140 -7.960 1.00 0.00 H new ATOM 851 N GLU A 57 -7.884 5.695 -10.129 1.00 0.00 N ATOM 852 CA GLU A 57 -7.163 5.380 -11.395 1.00 0.00 C ATOM 853 C GLU A 57 -5.684 5.135 -11.090 1.00 0.00 C ATOM 854 O GLU A 57 -5.081 5.825 -10.294 1.00 0.00 O ATOM 855 CB GLU A 57 -7.296 6.558 -12.363 1.00 0.00 C ATOM 856 CG GLU A 57 -8.116 6.127 -13.581 1.00 0.00 C ATOM 857 CD GLU A 57 -7.329 5.094 -14.388 1.00 0.00 C ATOM 858 OE1 GLU A 57 -7.325 3.940 -13.993 1.00 0.00 O ATOM 859 OE2 GLU A 57 -6.742 5.476 -15.387 1.00 0.00 O ATOM 0 H GLU A 57 -7.302 5.716 -9.291 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.594 4.487 -11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.779 7.399 -11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.309 6.898 -12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.068 5.704 -13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.345 6.992 -14.203 1.00 0.00 H new ATOM 866 N ILE A 58 -5.094 4.155 -11.720 1.00 0.00 N ATOM 867 CA ILE A 58 -3.654 3.867 -11.466 1.00 0.00 C ATOM 868 C ILE A 58 -2.798 4.577 -12.516 1.00 0.00 C ATOM 869 O ILE A 58 -3.130 4.606 -13.685 1.00 0.00 O ATOM 870 CB ILE A 58 -3.414 2.358 -11.549 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.311 1.640 -10.537 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.948 2.057 -11.230 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.213 2.339 -9.179 1.00 0.00 C ATOM 0 H ILE A 58 -5.547 3.542 -12.399 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.382 4.225 -10.473 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.648 2.009 -12.555 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.344 1.642 -10.885 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.009 0.597 -10.443 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.776 0.982 -11.289 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.307 2.567 -11.949 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.715 2.407 -10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.852 1.827 -8.459 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.181 2.313 -8.830 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.537 3.375 -9.279 1.00 0.00 H new ATOM 885 N VAL A 59 -1.699 5.150 -12.109 1.00 0.00 N ATOM 886 CA VAL A 59 -0.822 5.856 -13.083 1.00 0.00 C ATOM 887 C VAL A 59 0.472 5.062 -13.271 1.00 0.00 C ATOM 888 O VAL A 59 1.224 5.291 -14.198 1.00 0.00 O ATOM 889 CB VAL A 59 -0.491 7.253 -12.553 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.475 7.948 -13.513 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.778 8.073 -12.442 1.00 0.00 C ATOM 0 H VAL A 59 -1.371 5.159 -11.143 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.337 5.944 -14.039 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.027 7.168 -11.570 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.710 8.943 -13.135 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.392 7.364 -13.593 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.012 8.033 -14.496 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.544 9.068 -12.065 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.242 8.157 -13.425 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.467 7.578 -11.757 1.00 0.00 H new ATOM 901 N LYS A 60 0.737 4.129 -12.398 1.00 0.00 N ATOM 902 CA LYS A 60 1.980 3.320 -12.524 1.00 0.00 C ATOM 903 C LYS A 60 1.690 2.069 -13.358 1.00 0.00 C ATOM 904 O LYS A 60 0.624 1.922 -13.920 1.00 0.00 O ATOM 905 CB LYS A 60 2.460 2.907 -11.133 1.00 0.00 C ATOM 906 CG LYS A 60 3.783 3.609 -10.818 1.00 0.00 C ATOM 907 CD LYS A 60 4.835 3.204 -11.853 1.00 0.00 C ATOM 908 CE LYS A 60 5.807 4.364 -12.075 1.00 0.00 C ATOM 909 NZ LYS A 60 5.046 5.579 -12.481 1.00 0.00 N ATOM 0 H LYS A 60 0.145 3.892 -11.602 1.00 0.00 H new ATOM 0 HA LYS A 60 2.753 3.912 -13.014 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.711 3.169 -10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.591 1.826 -11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.645 4.690 -10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.120 3.340 -9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.377 2.322 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.352 2.936 -12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.368 4.562 -11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.533 4.102 -12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.662 6.204 -13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.225 5.299 -13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.719 6.083 -11.632 1.00 0.00 H new ATOM 923 N ASN A 61 2.631 1.169 -13.442 1.00 0.00 N ATOM 924 CA ASN A 61 2.404 -0.069 -14.240 1.00 0.00 C ATOM 925 C ASN A 61 2.938 -1.280 -13.471 1.00 0.00 C ATOM 926 O ASN A 61 3.804 -1.161 -12.627 1.00 0.00 O ATOM 927 CB ASN A 61 3.135 0.045 -15.579 1.00 0.00 C ATOM 928 CG ASN A 61 2.320 0.921 -16.532 1.00 0.00 C ATOM 929 OD1 ASN A 61 1.392 0.455 -17.161 1.00 0.00 O ATOM 930 ND2 ASN A 61 2.632 2.182 -16.666 1.00 0.00 N ATOM 0 H ASN A 61 3.545 1.237 -12.994 1.00 0.00 H new ATOM 0 HA ASN A 61 1.336 -0.193 -14.417 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.125 0.475 -15.429 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.280 -0.945 -16.012 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.096 2.775 -17.299 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.412 2.573 -16.137 1.00 0.00 H new ATOM 937 N GLU A 62 2.424 -2.445 -13.754 1.00 0.00 N ATOM 938 CA GLU A 62 2.898 -3.665 -13.041 1.00 0.00 C ATOM 939 C GLU A 62 4.303 -4.027 -13.526 1.00 0.00 C ATOM 940 O GLU A 62 4.631 -3.864 -14.684 1.00 0.00 O ATOM 941 CB GLU A 62 1.947 -4.832 -13.327 1.00 0.00 C ATOM 942 CG GLU A 62 0.532 -4.299 -13.566 1.00 0.00 C ATOM 943 CD GLU A 62 0.217 -4.345 -15.063 1.00 0.00 C ATOM 944 OE1 GLU A 62 0.330 -5.414 -15.640 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.134 -3.311 -15.607 1.00 0.00 O ATOM 0 H GLU A 62 1.695 -2.605 -14.449 1.00 0.00 H new ATOM 0 HA GLU A 62 2.920 -3.469 -11.969 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.289 -5.387 -14.201 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.947 -5.528 -12.488 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.192 -4.897 -13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.450 -3.277 -13.197 1.00 0.00 H new ATOM 952 N GLY A 63 5.135 -4.517 -12.648 1.00 0.00 N ATOM 953 CA GLY A 63 6.518 -4.893 -13.058 1.00 0.00 C ATOM 954 C GLY A 63 7.222 -3.675 -13.660 1.00 0.00 C ATOM 955 O GLY A 63 8.200 -3.800 -14.369 1.00 0.00 O ATOM 0 H GLY A 63 4.917 -4.673 -11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.077 -5.260 -12.197 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.485 -5.704 -13.786 1.00 0.00 H new ATOM 959 N ASP A 64 6.735 -2.498 -13.380 1.00 0.00 N ATOM 960 CA ASP A 64 7.380 -1.275 -13.937 1.00 0.00 C ATOM 961 C ASP A 64 8.283 -0.648 -12.872 1.00 0.00 C ATOM 962 O ASP A 64 8.274 -1.040 -11.721 1.00 0.00 O ATOM 963 CB ASP A 64 6.288 -0.285 -14.383 1.00 0.00 C ATOM 964 CG ASP A 64 6.769 1.166 -14.252 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.431 1.634 -15.164 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.467 1.780 -13.242 1.00 0.00 O ATOM 0 H ASP A 64 5.920 -2.330 -12.791 1.00 0.00 H new ATOM 0 HA ASP A 64 7.992 -1.532 -14.802 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.011 -0.487 -15.418 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.393 -0.430 -13.779 1.00 0.00 H new ATOM 971 N THR A 65 9.060 0.325 -13.254 1.00 0.00 N ATOM 972 CA THR A 65 9.969 0.986 -12.275 1.00 0.00 C ATOM 973 C THR A 65 9.230 2.136 -11.588 1.00 0.00 C ATOM 974 O THR A 65 8.303 2.704 -12.132 1.00 0.00 O ATOM 975 CB THR A 65 11.196 1.533 -13.008 1.00 0.00 C ATOM 976 OG1 THR A 65 12.182 1.914 -12.058 1.00 0.00 O ATOM 977 CG2 THR A 65 10.794 2.749 -13.844 1.00 0.00 C ATOM 0 H THR A 65 9.106 0.693 -14.204 1.00 0.00 H new ATOM 0 HA THR A 65 10.286 0.260 -11.526 1.00 0.00 H new ATOM 0 HB THR A 65 11.601 0.762 -13.664 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.969 2.263 -12.526 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.669 3.137 -14.365 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.038 2.456 -14.572 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.388 3.522 -13.191 1.00 0.00 H new ATOM 985 N VAL A 66 9.634 2.487 -10.398 1.00 0.00 N ATOM 986 CA VAL A 66 8.955 3.601 -9.678 1.00 0.00 C ATOM 987 C VAL A 66 9.997 4.428 -8.922 1.00 0.00 C ATOM 988 O VAL A 66 11.160 4.082 -8.872 1.00 0.00 O ATOM 989 CB VAL A 66 7.943 3.025 -8.687 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.645 2.687 -9.421 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.516 1.754 -8.055 1.00 0.00 C ATOM 0 H VAL A 66 10.405 2.050 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 66 8.438 4.237 -10.396 1.00 0.00 H new ATOM 0 HB VAL A 66 7.739 3.760 -7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.924 2.276 -8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.236 3.591 -9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.848 1.952 -10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.795 1.342 -7.348 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.720 1.020 -8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.442 1.993 -7.531 1.00 0.00 H new ATOM 1001 N LEU A 67 9.588 5.519 -8.333 1.00 0.00 N ATOM 1002 CA LEU A 67 10.556 6.367 -7.582 1.00 0.00 C ATOM 1003 C LEU A 67 10.017 6.630 -6.174 1.00 0.00 C ATOM 1004 O LEU A 67 8.845 6.458 -5.904 1.00 0.00 O ATOM 1005 CB LEU A 67 10.744 7.698 -8.312 1.00 0.00 C ATOM 1006 CG LEU A 67 12.200 8.149 -8.186 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.733 8.548 -9.563 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.279 9.351 -7.241 1.00 0.00 C ATOM 0 H LEU A 67 8.626 5.859 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 67 11.514 5.852 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.476 7.589 -9.363 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.081 8.453 -7.890 1.00 0.00 H new ATOM 0 HG LEU A 67 12.801 7.331 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.771 8.869 -9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.675 7.693 -10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.133 9.366 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.316 9.674 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.678 10.168 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.899 9.068 -6.259 1.00 0.00 H new ATOM 1020 N SER A 68 10.864 7.048 -5.273 1.00 0.00 N ATOM 1021 CA SER A 68 10.400 7.323 -3.884 1.00 0.00 C ATOM 1022 C SER A 68 9.264 8.347 -3.919 1.00 0.00 C ATOM 1023 O SER A 68 9.263 9.260 -4.720 1.00 0.00 O ATOM 1024 CB SER A 68 11.561 7.878 -3.058 1.00 0.00 C ATOM 1025 OG SER A 68 11.047 8.520 -1.898 1.00 0.00 O ATOM 0 H SER A 68 11.857 7.211 -5.439 1.00 0.00 H new ATOM 0 HA SER A 68 10.042 6.398 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.237 7.072 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.140 8.585 -3.652 1.00 0.00 H new ATOM 0 HG SER A 68 11.789 8.876 -1.365 1.00 0.00 H new ATOM 1031 N GLY A 69 8.296 8.204 -3.054 1.00 0.00 N ATOM 1032 CA GLY A 69 7.162 9.169 -3.039 1.00 0.00 C ATOM 1033 C GLY A 69 6.466 9.165 -4.401 1.00 0.00 C ATOM 1034 O GLY A 69 5.835 10.127 -4.791 1.00 0.00 O ATOM 0 H GLY A 69 8.243 7.460 -2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.453 8.900 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.526 10.170 -2.809 1.00 0.00 H new ATOM 1038 N GLU A 70 6.577 8.088 -5.131 1.00 0.00 N ATOM 1039 CA GLU A 70 5.922 8.023 -6.467 1.00 0.00 C ATOM 1040 C GLU A 70 4.432 7.724 -6.291 1.00 0.00 C ATOM 1041 O GLU A 70 4.043 6.611 -5.992 1.00 0.00 O ATOM 1042 CB GLU A 70 6.569 6.913 -7.299 1.00 0.00 C ATOM 1043 CG GLU A 70 5.841 6.785 -8.638 1.00 0.00 C ATOM 1044 CD GLU A 70 5.757 8.158 -9.307 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.797 8.684 -9.669 1.00 0.00 O ATOM 1046 OE2 GLU A 70 4.654 8.662 -9.447 1.00 0.00 O ATOM 0 H GLU A 70 7.093 7.251 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 70 6.043 8.978 -6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.623 7.137 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.526 5.967 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.369 6.085 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.840 6.383 -8.483 1.00 0.00 H new ATOM 1053 N LEU A 71 3.595 8.708 -6.472 1.00 0.00 N ATOM 1054 CA LEU A 71 2.130 8.480 -6.313 1.00 0.00 C ATOM 1055 C LEU A 71 1.661 7.450 -7.344 1.00 0.00 C ATOM 1056 O LEU A 71 1.950 7.556 -8.519 1.00 0.00 O ATOM 1057 CB LEU A 71 1.383 9.797 -6.532 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.124 9.534 -6.541 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -0.763 10.179 -5.311 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -0.737 10.138 -7.807 1.00 0.00 C ATOM 0 H LEU A 71 3.861 9.660 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 71 1.926 8.109 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.634 10.505 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.690 10.249 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.305 8.459 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.837 9.991 -5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.326 9.753 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.583 11.254 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.811 9.952 -7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.555 11.213 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.282 9.680 -8.686 1.00 0.00 H new ATOM 1072 N LEU A 72 0.939 6.452 -6.911 1.00 0.00 N ATOM 1073 CA LEU A 72 0.452 5.417 -7.866 1.00 0.00 C ATOM 1074 C LEU A 72 -1.014 5.689 -8.208 1.00 0.00 C ATOM 1075 O LEU A 72 -1.341 6.096 -9.306 1.00 0.00 O ATOM 1076 CB LEU A 72 0.580 4.033 -7.228 1.00 0.00 C ATOM 1077 CG LEU A 72 1.879 3.959 -6.423 1.00 0.00 C ATOM 1078 CD1 LEU A 72 1.860 2.715 -5.534 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.068 3.881 -7.384 1.00 0.00 C ATOM 0 H LEU A 72 0.666 6.309 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 72 1.050 5.453 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.274 3.840 -6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.574 3.263 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 72 1.971 4.848 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.786 2.663 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.013 2.769 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.768 1.825 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.995 3.828 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.975 2.991 -8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.082 4.768 -8.018 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.901 5.467 -7.277 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.345 5.713 -7.551 1.00 0.00 C ATOM 1093 C GLY A 73 -4.022 6.247 -6.286 1.00 0.00 C ATOM 1094 O GLY A 73 -3.385 6.465 -5.276 1.00 0.00 O ATOM 0 H GLY A 73 -1.688 5.126 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.454 6.430 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.827 4.790 -7.872 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.309 6.458 -6.335 1.00 0.00 N ATOM 1099 CA LYS A 74 -6.024 6.975 -5.134 1.00 0.00 C ATOM 1100 C LYS A 74 -7.224 6.079 -4.831 1.00 0.00 C ATOM 1101 O LYS A 74 -7.791 5.464 -5.712 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.507 8.402 -5.405 1.00 0.00 C ATOM 1103 CG LYS A 74 -5.310 9.356 -5.401 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.671 10.632 -6.165 1.00 0.00 C ATOM 1105 CE LYS A 74 -5.469 10.404 -7.664 1.00 0.00 C ATOM 1106 NZ LYS A 74 -6.602 11.013 -8.416 1.00 0.00 N ATOM 0 H LYS A 74 -5.895 6.295 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.347 6.976 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.019 8.448 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.228 8.703 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.030 9.600 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.447 8.875 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.706 10.908 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.049 11.460 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.526 10.845 -7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.410 9.336 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.465 10.858 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.495 10.572 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.638 12.034 -8.223 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.618 5.998 -3.589 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.781 5.140 -3.231 1.00 0.00 C ATOM 1122 C LEU A 75 -10.009 6.020 -2.985 1.00 0.00 C ATOM 1123 O LEU A 75 -9.895 7.165 -2.596 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.458 4.351 -1.961 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.455 3.203 -1.804 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -8.721 1.867 -1.923 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.123 3.294 -0.430 1.00 0.00 C ATOM 0 H LEU A 75 -7.184 6.489 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.988 4.449 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.442 3.959 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.503 5.007 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.212 3.272 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.433 1.049 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.243 1.800 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.963 1.798 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.834 2.476 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.364 3.225 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.647 4.246 -0.343 1.00 0.00 H new ATOM 1139 N THR A 76 -11.182 5.495 -3.209 1.00 0.00 N ATOM 1140 CA THR A 76 -12.414 6.302 -2.988 1.00 0.00 C ATOM 1141 C THR A 76 -13.130 5.804 -1.730 1.00 0.00 C ATOM 1142 O THR A 76 -12.770 4.795 -1.158 1.00 0.00 O ATOM 1143 CB THR A 76 -13.344 6.157 -4.196 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.597 6.345 -5.389 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.455 7.203 -4.115 1.00 0.00 C ATOM 0 H THR A 76 -11.340 4.542 -3.536 1.00 0.00 H new ATOM 0 HA THR A 76 -12.144 7.350 -2.862 1.00 0.00 H new ATOM 0 HB THR A 76 -13.788 5.161 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.253 5.481 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.116 7.099 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.026 7.057 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.016 8.201 -4.114 1.00 0.00 H new ATOM 1153 N GLU A 77 -14.141 6.506 -1.295 1.00 0.00 N ATOM 1154 CA GLU A 77 -14.878 6.072 -0.075 1.00 0.00 C ATOM 1155 C GLU A 77 -15.855 4.951 -0.440 1.00 0.00 C ATOM 1156 O GLU A 77 -16.119 4.699 -1.598 1.00 0.00 O ATOM 1157 CB GLU A 77 -15.654 7.258 0.501 1.00 0.00 C ATOM 1158 CG GLU A 77 -14.756 8.038 1.462 1.00 0.00 C ATOM 1159 CD GLU A 77 -15.165 7.735 2.904 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -14.916 6.627 3.349 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -15.720 8.617 3.540 1.00 0.00 O ATOM 0 H GLU A 77 -14.488 7.360 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.168 5.707 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.994 7.909 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.543 6.905 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.713 7.765 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.839 9.107 1.267 1.00 0.00 H new ATOM 1168 N GLY A 78 -16.393 4.278 0.541 1.00 0.00 N ATOM 1169 CA GLY A 78 -17.351 3.176 0.248 1.00 0.00 C ATOM 1170 C GLY A 78 -18.378 3.077 1.377 1.00 0.00 C ATOM 1171 O GLY A 78 -19.553 3.311 1.183 1.00 0.00 O ATOM 0 H GLY A 78 -16.210 4.444 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -17.855 3.361 -0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.815 2.232 0.146 1.00 0.00 H new ATOM 1175 N GLY A 79 -17.943 2.732 2.558 1.00 0.00 N ATOM 1176 CA GLY A 79 -18.895 2.618 3.700 1.00 0.00 C ATOM 1177 C GLY A 79 -18.655 1.299 4.436 1.00 0.00 C ATOM 1178 O GLY A 79 -18.612 1.323 5.656 1.00 0.00 O ATOM 0 H GLY A 79 -16.970 2.524 2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.762 3.457 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.922 2.662 3.337 1.00 0.00 H new TER 1182 GLY A 79