USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 730 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 MET CE :methyl 160:sc= 0 (180deg=-0.239) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.12 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00486 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -126:sc= 1.11 (180deg=-0.022) USER MOD Single : A 26 LYS NZ :NH3+ -111:sc= 1.41 (180deg=0.104) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 18:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 175:sc= -0.967 (180deg=-1.03) USER MOD Single : A 53 THR OG1 : rot 76:sc= 1.11 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -83:sc= 1.28 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 79:sc= 1.14 USER MOD Single : A 71 ASN : amide:sc= 0.671 K(o=0.67,f=-4.9!) USER MOD Single : A 76 MET CE :methyl 145:sc= -0.959 (180deg=-1.65) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 81 MET CE :methyl -170:sc= -0.0621 (180deg=-0.401) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 89 THR OG1 : rot 76:sc= 0.317 USER MOD Single : A 90 HIS : no HD1:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 91 GLN : amide:sc= 0.77 K(o=0.77,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.244 15.593 3.588 1.00 1.00 N ATOM 2 CA MET A 1 -6.221 14.494 3.524 1.00 1.00 C ATOM 3 C MET A 1 -6.496 14.200 2.055 1.00 1.00 C ATOM 4 O MET A 1 -5.597 14.390 1.237 1.00 1.00 O ATOM 5 CB MET A 1 -7.441 14.821 4.394 1.00 1.00 C ATOM 6 CG MET A 1 -7.996 13.581 5.099 1.00 1.00 C ATOM 7 SD MET A 1 -9.442 13.985 6.114 1.00 1.00 S ATOM 8 CE MET A 1 -9.819 12.376 6.843 1.00 1.00 C ATOM 0 H1 MET A 1 -4.570 15.414 4.360 1.00 1.00 H new ATOM 0 H2 MET A 1 -4.729 15.653 2.686 1.00 1.00 H new ATOM 0 H3 MET A 1 -5.741 16.490 3.763 1.00 1.00 H new ATOM 0 HA MET A 1 -5.843 13.566 3.952 1.00 1.00 H new ATOM 0 HB2 MET A 1 -7.165 15.567 5.139 1.00 1.00 H new ATOM 0 HB3 MET A 1 -8.220 15.263 3.773 1.00 1.00 H new ATOM 0 HG2 MET A 1 -8.269 12.831 4.357 1.00 1.00 H new ATOM 0 HG3 MET A 1 -7.221 13.141 5.727 1.00 1.00 H new ATOM 0 HE1 MET A 1 -10.429 12.515 7.735 1.00 1.00 H new ATOM 0 HE2 MET A 1 -10.365 11.768 6.121 1.00 1.00 H new ATOM 0 HE3 MET A 1 -8.891 11.872 7.113 1.00 1.00 H new ATOM 20 N GLY A 2 -7.680 13.694 1.726 1.00 1.00 N ATOM 21 CA GLY A 2 -8.132 13.425 0.365 1.00 1.00 C ATOM 22 C GLY A 2 -8.585 11.978 0.241 1.00 1.00 C ATOM 23 O GLY A 2 -8.186 11.140 1.053 1.00 1.00 O ATOM 0 H GLY A 2 -8.379 13.450 2.428 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -8.953 14.094 0.107 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -7.325 13.623 -0.340 1.00 1.00 H new ATOM 27 N ARG A 3 -9.357 11.667 -0.804 1.00 1.00 N ATOM 28 CA ARG A 3 -9.888 10.325 -1.043 1.00 1.00 C ATOM 29 C ARG A 3 -8.795 9.276 -1.070 1.00 1.00 C ATOM 30 O ARG A 3 -9.040 8.182 -0.582 1.00 1.00 O ATOM 31 CB ARG A 3 -10.657 10.256 -2.366 1.00 1.00 C ATOM 32 CG ARG A 3 -12.020 10.952 -2.311 1.00 1.00 C ATOM 33 CD ARG A 3 -12.752 10.807 -3.653 1.00 1.00 C ATOM 34 NE ARG A 3 -14.212 10.849 -3.474 1.00 1.00 N ATOM 35 CZ ARG A 3 -14.960 11.920 -3.191 1.00 1.00 C ATOM 36 NH1 ARG A 3 -14.400 13.125 -3.122 1.00 1.00 N ATOM 37 NH2 ARG A 3 -16.262 11.772 -2.966 1.00 1.00 N ATOM 0 H ARG A 3 -9.632 12.346 -1.513 1.00 1.00 H new ATOM 0 HA ARG A 3 -10.562 10.117 -0.212 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -10.055 10.712 -3.152 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -10.801 9.211 -2.640 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.623 10.520 -1.512 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -11.887 12.008 -2.075 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -12.443 11.607 -4.326 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -12.468 9.866 -4.124 1.00 1.00 H new ATOM 0 HE ARG A 3 -14.708 9.964 -3.577 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -13.399 13.232 -3.285 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -14.972 13.942 -2.906 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -16.685 10.845 -3.010 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -16.838 12.586 -2.750 1.00 1.00 H new ATOM 51 N ALA A 4 -7.602 9.582 -1.595 1.00 1.00 N ATOM 52 CA ALA A 4 -6.503 8.625 -1.569 1.00 1.00 C ATOM 53 C ALA A 4 -6.217 8.205 -0.134 1.00 1.00 C ATOM 54 O ALA A 4 -6.123 7.020 0.156 1.00 1.00 O ATOM 55 CB ALA A 4 -5.248 9.230 -2.199 1.00 1.00 C ATOM 0 H ALA A 4 -7.380 10.474 -2.036 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.791 7.748 -2.148 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.439 8.501 -2.170 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.455 9.501 -3.234 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.954 10.120 -1.642 1.00 1.00 H new ATOM 61 N ARG A 5 -6.075 9.174 0.771 1.00 1.00 N ATOM 62 CA ARG A 5 -5.753 8.890 2.162 1.00 1.00 C ATOM 63 C ARG A 5 -6.892 8.093 2.784 1.00 1.00 C ATOM 64 O ARG A 5 -6.641 7.081 3.429 1.00 1.00 O ATOM 65 CB ARG A 5 -5.462 10.184 2.943 1.00 1.00 C ATOM 66 CG ARG A 5 -4.509 11.117 2.190 1.00 1.00 C ATOM 67 CD ARG A 5 -3.645 11.919 3.169 1.00 1.00 C ATOM 68 NE ARG A 5 -2.855 12.932 2.463 1.00 1.00 N ATOM 69 CZ ARG A 5 -1.830 13.635 2.959 1.00 1.00 C ATOM 70 NH1 ARG A 5 -1.552 13.617 4.259 1.00 1.00 N ATOM 71 NH2 ARG A 5 -1.099 14.363 2.130 1.00 1.00 N ATOM 0 H ARG A 5 -6.179 10.166 0.560 1.00 1.00 H new ATOM 0 HA ARG A 5 -4.843 8.292 2.208 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.399 10.706 3.138 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.030 9.932 3.911 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -3.870 10.533 1.528 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.082 11.799 1.561 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -4.282 12.401 3.911 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -2.980 11.245 3.709 1.00 1.00 H new ATOM 0 HE ARG A 5 -3.113 13.120 1.494 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.124 13.061 4.895 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -0.767 14.159 4.620 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -1.322 14.380 1.135 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -0.313 14.907 2.486 1.00 1.00 H new ATOM 85 N ASP A 6 -8.129 8.523 2.541 1.00 1.00 N ATOM 86 CA ASP A 6 -9.314 7.916 3.133 1.00 1.00 C ATOM 87 C ASP A 6 -9.399 6.446 2.705 1.00 1.00 C ATOM 88 O ASP A 6 -9.598 5.551 3.528 1.00 1.00 O ATOM 89 CB ASP A 6 -10.581 8.679 2.699 1.00 1.00 C ATOM 90 CG ASP A 6 -10.598 10.185 2.994 1.00 1.00 C ATOM 91 OD1 ASP A 6 -9.837 10.665 3.867 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.372 10.908 2.311 1.00 1.00 O ATOM 0 H ASP A 6 -8.336 9.308 1.923 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.242 7.969 4.219 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.715 8.538 1.627 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.441 8.224 3.191 1.00 1.00 H new ATOM 97 N ALA A 7 -9.215 6.194 1.408 1.00 1.00 N ATOM 98 CA ALA A 7 -9.345 4.891 0.789 1.00 1.00 C ATOM 99 C ALA A 7 -8.177 3.965 1.132 1.00 1.00 C ATOM 100 O ALA A 7 -8.398 2.764 1.292 1.00 1.00 O ATOM 101 CB ALA A 7 -9.464 5.077 -0.724 1.00 1.00 C ATOM 0 H ALA A 7 -8.962 6.925 0.743 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.242 4.410 1.180 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.563 4.103 -1.204 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.342 5.683 -0.948 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.572 5.578 -1.100 1.00 1.00 H new ATOM 107 N ILE A 8 -6.944 4.477 1.225 1.00 1.00 N ATOM 108 CA ILE A 8 -5.795 3.679 1.651 1.00 1.00 C ATOM 109 C ILE A 8 -6.048 3.252 3.098 1.00 1.00 C ATOM 110 O ILE A 8 -5.918 2.068 3.392 1.00 1.00 O ATOM 111 CB ILE A 8 -4.459 4.441 1.462 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.165 4.686 -0.037 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.251 3.712 2.078 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.194 5.856 -0.246 1.00 1.00 C ATOM 0 H ILE A 8 -6.719 5.448 1.009 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.691 2.791 1.027 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.591 5.388 1.986 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.744 3.782 -0.477 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.098 4.891 -0.561 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.348 4.299 1.910 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.409 3.587 3.149 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.140 2.733 1.611 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.015 5.994 -1.312 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.626 6.766 0.170 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.251 5.640 0.256 1.00 1.00 H new ATOM 126 N LEU A 9 -6.449 4.173 3.982 1.00 1.00 N ATOM 127 CA LEU A 9 -6.744 3.851 5.376 1.00 1.00 C ATOM 128 C LEU A 9 -7.772 2.729 5.441 1.00 1.00 C ATOM 129 O LEU A 9 -7.532 1.721 6.105 1.00 1.00 O ATOM 130 CB LEU A 9 -7.205 5.119 6.116 1.00 1.00 C ATOM 131 CG LEU A 9 -7.484 4.976 7.626 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.873 4.415 7.949 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.402 4.181 8.370 1.00 1.00 C ATOM 0 H LEU A 9 -6.577 5.158 3.749 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.845 3.493 5.877 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.444 5.887 5.982 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.113 5.483 5.635 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.457 6.002 7.994 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.994 4.344 9.030 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.637 5.077 7.541 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.977 3.424 7.506 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.659 4.118 9.427 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.336 3.177 7.952 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.441 4.683 8.260 1.00 1.00 H new ATOM 145 N ASP A 10 -8.884 2.887 4.721 1.00 1.00 N ATOM 146 CA ASP A 10 -9.940 1.880 4.631 1.00 1.00 C ATOM 147 C ASP A 10 -9.387 0.529 4.186 1.00 1.00 C ATOM 148 O ASP A 10 -9.693 -0.491 4.804 1.00 1.00 O ATOM 149 CB ASP A 10 -11.043 2.303 3.648 1.00 1.00 C ATOM 150 CG ASP A 10 -12.090 3.271 4.188 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.277 3.369 5.423 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.827 3.833 3.340 1.00 1.00 O ATOM 0 H ASP A 10 -9.078 3.728 4.178 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.362 1.789 5.632 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.570 2.759 2.778 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.554 1.406 3.299 1.00 1.00 H new ATOM 157 N ALA A 11 -8.575 0.517 3.125 1.00 1.00 N ATOM 158 CA ALA A 11 -7.987 -0.699 2.589 1.00 1.00 C ATOM 159 C ALA A 11 -7.147 -1.387 3.655 1.00 1.00 C ATOM 160 O ALA A 11 -7.401 -2.546 3.968 1.00 1.00 O ATOM 161 CB ALA A 11 -7.170 -0.397 1.328 1.00 1.00 C ATOM 0 H ALA A 11 -8.310 1.360 2.615 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.786 -1.382 2.299 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.739 -1.321 0.944 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.819 0.043 0.571 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.370 0.302 1.571 1.00 1.00 H new ATOM 167 N LEU A 12 -6.166 -0.683 4.228 1.00 1.00 N ATOM 168 CA LEU A 12 -5.304 -1.216 5.279 1.00 1.00 C ATOM 169 C LEU A 12 -6.121 -1.783 6.446 1.00 1.00 C ATOM 170 O LEU A 12 -5.816 -2.867 6.940 1.00 1.00 O ATOM 171 CB LEU A 12 -4.298 -0.178 5.782 1.00 1.00 C ATOM 172 CG LEU A 12 -3.013 0.056 4.999 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.040 -1.119 5.169 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.246 0.317 3.532 1.00 1.00 C ATOM 0 H LEU A 12 -5.949 0.280 3.971 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.739 -2.033 4.830 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.819 0.777 5.849 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -4.016 -0.460 6.797 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.572 0.959 5.420 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -1.132 -0.924 4.599 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.789 -1.234 6.223 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.507 -2.034 4.805 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.289 0.475 3.034 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -3.750 -0.540 3.086 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.867 1.205 3.415 1.00 1.00 H new ATOM 186 N GLU A 13 -7.160 -1.068 6.881 1.00 1.00 N ATOM 187 CA GLU A 13 -8.092 -1.512 7.909 1.00 1.00 C ATOM 188 C GLU A 13 -8.783 -2.823 7.522 1.00 1.00 C ATOM 189 O GLU A 13 -8.992 -3.683 8.389 1.00 1.00 O ATOM 190 CB GLU A 13 -9.129 -0.434 8.259 1.00 1.00 C ATOM 191 CG GLU A 13 -8.570 0.640 9.203 1.00 1.00 C ATOM 192 CD GLU A 13 -9.664 1.568 9.746 1.00 1.00 C ATOM 193 OE1 GLU A 13 -10.782 1.655 9.181 1.00 1.00 O ATOM 194 OE2 GLU A 13 -9.464 2.188 10.815 1.00 1.00 O ATOM 0 H GLU A 13 -7.379 -0.141 6.516 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.497 -1.696 8.803 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.478 0.040 7.342 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.995 -0.906 8.724 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -8.060 0.157 10.037 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -7.824 1.233 8.673 1.00 1.00 H new ATOM 201 N ASN A 14 -9.227 -2.957 6.271 1.00 1.00 N ATOM 202 CA ASN A 14 -9.810 -4.167 5.709 1.00 1.00 C ATOM 203 C ASN A 14 -8.820 -5.317 5.508 1.00 1.00 C ATOM 204 O ASN A 14 -9.281 -6.445 5.315 1.00 1.00 O ATOM 205 CB ASN A 14 -10.548 -3.855 4.395 1.00 1.00 C ATOM 206 CG ASN A 14 -11.949 -3.312 4.613 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.248 -2.138 4.423 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.860 -4.177 5.020 1.00 1.00 N ATOM 0 H ASN A 14 -9.187 -2.192 5.598 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.519 -4.520 6.458 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -9.969 -3.130 3.823 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.606 -4.762 3.794 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.820 -3.870 5.178 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -12.604 -5.152 5.176 1.00 1.00 H new ATOM 215 N LEU A 15 -7.502 -5.099 5.562 1.00 1.00 N ATOM 216 CA LEU A 15 -6.521 -6.168 5.470 1.00 1.00 C ATOM 217 C LEU A 15 -6.324 -6.795 6.847 1.00 1.00 C ATOM 218 O LEU A 15 -6.499 -6.142 7.879 1.00 1.00 O ATOM 219 CB LEU A 15 -5.190 -5.603 4.956 1.00 1.00 C ATOM 220 CG LEU A 15 -5.200 -5.101 3.503 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.812 -4.618 3.088 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.676 -6.170 2.515 1.00 1.00 C ATOM 0 H LEU A 15 -7.092 -4.172 5.671 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.875 -6.930 4.776 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.891 -4.779 5.604 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.427 -6.376 5.050 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.907 -4.272 3.470 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.842 -4.267 2.056 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.501 -3.802 3.740 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.101 -5.440 3.171 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.664 -5.762 1.504 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.013 -7.034 2.566 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.691 -6.476 2.771 1.00 1.00 H new ATOM 234 N THR A 16 -5.954 -8.070 6.878 1.00 1.00 N ATOM 235 CA THR A 16 -5.785 -8.854 8.095 1.00 1.00 C ATOM 236 C THR A 16 -4.311 -8.881 8.498 1.00 1.00 C ATOM 237 O THR A 16 -3.464 -8.350 7.786 1.00 1.00 O ATOM 238 CB THR A 16 -6.351 -10.259 7.841 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.594 -10.925 6.852 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.819 -10.217 7.398 1.00 1.00 C ATOM 0 H THR A 16 -5.757 -8.603 6.031 1.00 1.00 H new ATOM 0 HA THR A 16 -6.328 -8.408 8.928 1.00 1.00 H new ATOM 0 HB THR A 16 -6.291 -10.799 8.786 1.00 1.00 H new ATOM 0 HG1 THR A 16 -5.966 -11.819 6.703 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.177 -11.233 7.230 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.420 -9.744 8.175 1.00 1.00 H new ATOM 0 HG23 THR A 16 -7.904 -9.645 6.474 1.00 1.00 H new ATOM 248 N ALA A 17 -3.975 -9.527 9.616 1.00 1.00 N ATOM 249 CA ALA A 17 -2.592 -9.685 10.050 1.00 1.00 C ATOM 250 C ALA A 17 -1.756 -10.384 8.975 1.00 1.00 C ATOM 251 O ALA A 17 -0.626 -9.962 8.716 1.00 1.00 O ATOM 252 CB ALA A 17 -2.530 -10.472 11.364 1.00 1.00 C ATOM 0 H ALA A 17 -4.656 -9.954 10.244 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.175 -8.692 10.215 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.491 -10.581 11.674 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -3.084 -9.937 12.135 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.971 -11.458 11.219 1.00 1.00 H new ATOM 258 N GLU A 18 -2.300 -11.441 8.362 1.00 1.00 N ATOM 259 CA GLU A 18 -1.647 -12.196 7.302 1.00 1.00 C ATOM 260 C GLU A 18 -1.410 -11.309 6.078 1.00 1.00 C ATOM 261 O GLU A 18 -0.300 -11.264 5.531 1.00 1.00 O ATOM 262 CB GLU A 18 -2.506 -13.410 6.910 1.00 1.00 C ATOM 263 CG GLU A 18 -1.655 -14.336 6.032 1.00 1.00 C ATOM 264 CD GLU A 18 -2.371 -15.543 5.442 1.00 1.00 C ATOM 265 OE1 GLU A 18 -3.612 -15.553 5.323 1.00 1.00 O ATOM 266 OE2 GLU A 18 -1.658 -16.468 4.982 1.00 1.00 O ATOM 0 H GLU A 18 -3.226 -11.798 8.598 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.683 -12.545 7.672 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.847 -13.938 7.801 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.396 -13.087 6.371 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.242 -13.748 5.213 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -0.813 -14.693 6.625 1.00 1.00 H new ATOM 273 N GLU A 19 -2.466 -10.623 5.638 1.00 1.00 N ATOM 274 CA GLU A 19 -2.412 -9.799 4.447 1.00 1.00 C ATOM 275 C GLU A 19 -1.467 -8.628 4.704 1.00 1.00 C ATOM 276 O GLU A 19 -0.635 -8.332 3.860 1.00 1.00 O ATOM 277 CB GLU A 19 -3.806 -9.295 4.056 1.00 1.00 C ATOM 278 CG GLU A 19 -4.819 -10.395 3.702 1.00 1.00 C ATOM 279 CD GLU A 19 -4.711 -10.936 2.272 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.599 -11.255 1.798 1.00 1.00 O ATOM 281 OE2 GLU A 19 -5.780 -11.146 1.648 1.00 1.00 O ATOM 0 H GLU A 19 -3.375 -10.628 6.100 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.041 -10.396 3.614 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.207 -8.705 4.880 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.707 -8.625 3.202 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.692 -11.223 4.399 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.825 -10.004 3.852 1.00 1.00 H new ATOM 288 N LEU A 20 -1.522 -7.986 5.875 1.00 1.00 N ATOM 289 CA LEU A 20 -0.625 -6.887 6.206 1.00 1.00 C ATOM 290 C LEU A 20 0.818 -7.369 6.269 1.00 1.00 C ATOM 291 O LEU A 20 1.694 -6.638 5.828 1.00 1.00 O ATOM 292 CB LEU A 20 -1.047 -6.140 7.489 1.00 1.00 C ATOM 293 CG LEU A 20 -2.301 -5.252 7.314 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.588 -4.401 8.554 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.133 -4.256 6.168 1.00 1.00 C ATOM 0 H LEU A 20 -2.188 -8.216 6.613 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.698 -6.155 5.401 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.238 -6.869 8.276 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.217 -5.518 7.825 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.113 -5.954 7.123 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.478 -3.795 8.382 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.753 -5.052 9.412 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.738 -3.748 8.752 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.035 -3.651 6.077 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.280 -3.608 6.371 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.964 -4.797 5.237 1.00 1.00 H new ATOM 307 N LYS A 21 1.097 -8.585 6.745 1.00 1.00 N ATOM 308 CA LYS A 21 2.451 -9.144 6.728 1.00 1.00 C ATOM 309 C LYS A 21 2.967 -9.150 5.288 1.00 1.00 C ATOM 310 O LYS A 21 3.995 -8.544 4.956 1.00 1.00 O ATOM 311 CB LYS A 21 2.393 -10.575 7.280 1.00 1.00 C ATOM 312 CG LYS A 21 3.789 -11.193 7.469 1.00 1.00 C ATOM 313 CD LYS A 21 3.749 -12.611 8.062 1.00 1.00 C ATOM 314 CE LYS A 21 3.133 -12.690 9.463 1.00 1.00 C ATOM 315 NZ LYS A 21 3.092 -14.082 9.954 1.00 1.00 N ATOM 0 H LYS A 21 0.396 -9.206 7.150 1.00 1.00 H new ATOM 0 HA LYS A 21 3.124 -8.546 7.342 1.00 1.00 H new ATOM 0 HB2 LYS A 21 1.869 -10.571 8.236 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.812 -11.199 6.601 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.299 -11.223 6.506 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.379 -10.550 8.122 1.00 1.00 H new ATOM 0 HD2 LYS A 21 3.182 -13.257 7.391 1.00 1.00 H new ATOM 0 HD3 LYS A 21 4.765 -13.005 8.101 1.00 1.00 H new ATOM 0 HE2 LYS A 21 3.713 -12.076 10.152 1.00 1.00 H new ATOM 0 HE3 LYS A 21 2.123 -12.280 9.442 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 2.670 -14.103 10.904 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 2.519 -14.661 9.308 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 4.058 -14.464 9.996 1.00 1.00 H new ATOM 329 N LYS A 22 2.226 -9.857 4.430 1.00 1.00 N ATOM 330 CA LYS A 22 2.594 -10.024 3.036 1.00 1.00 C ATOM 331 C LYS A 22 2.664 -8.659 2.362 1.00 1.00 C ATOM 332 O LYS A 22 3.613 -8.435 1.626 1.00 1.00 O ATOM 333 CB LYS A 22 1.605 -10.979 2.359 1.00 1.00 C ATOM 334 CG LYS A 22 1.832 -12.442 2.737 1.00 1.00 C ATOM 335 CD LYS A 22 2.917 -13.112 1.891 1.00 1.00 C ATOM 336 CE LYS A 22 2.885 -14.622 2.128 1.00 1.00 C ATOM 337 NZ LYS A 22 3.896 -15.352 1.337 1.00 1.00 N ATOM 0 H LYS A 22 1.358 -10.325 4.689 1.00 1.00 H new ATOM 0 HA LYS A 22 3.583 -10.473 2.947 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.589 -10.693 2.631 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.688 -10.872 1.277 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.110 -12.502 3.789 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.898 -12.991 2.622 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.756 -12.895 0.835 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.897 -12.712 2.153 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.047 -14.821 3.187 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.894 -15.002 1.880 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.826 -16.370 1.539 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.729 -15.188 0.324 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.846 -15.013 1.590 1.00 1.00 H new ATOM 351 N PHE A 23 1.748 -7.732 2.648 1.00 1.00 N ATOM 352 CA PHE A 23 1.717 -6.398 2.068 1.00 1.00 C ATOM 353 C PHE A 23 2.982 -5.647 2.423 1.00 1.00 C ATOM 354 O PHE A 23 3.663 -5.132 1.545 1.00 1.00 O ATOM 355 CB PHE A 23 0.498 -5.621 2.572 1.00 1.00 C ATOM 356 CG PHE A 23 0.318 -4.247 1.948 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.302 -4.098 0.546 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.148 -3.113 2.768 1.00 1.00 C ATOM 359 CE1 PHE A 23 0.084 -2.835 -0.029 1.00 1.00 C ATOM 360 CE2 PHE A 23 -0.083 -1.854 2.187 1.00 1.00 C ATOM 361 CZ PHE A 23 -0.116 -1.714 0.792 1.00 1.00 C ATOM 0 H PHE A 23 0.988 -7.898 3.308 1.00 1.00 H new ATOM 0 HA PHE A 23 1.648 -6.496 0.985 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.397 -6.212 2.380 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.579 -5.506 3.653 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.458 -4.958 -0.088 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.195 -3.211 3.842 1.00 1.00 H new ATOM 0 HE1 PHE A 23 0.070 -2.726 -1.103 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -0.236 -0.991 2.818 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.295 -0.745 0.350 1.00 1.00 H new ATOM 371 N LYS A 24 3.313 -5.595 3.710 1.00 1.00 N ATOM 372 CA LYS A 24 4.497 -4.929 4.216 1.00 1.00 C ATOM 373 C LYS A 24 5.755 -5.476 3.537 1.00 1.00 C ATOM 374 O LYS A 24 6.662 -4.701 3.252 1.00 1.00 O ATOM 375 CB LYS A 24 4.482 -5.022 5.738 1.00 1.00 C ATOM 376 CG LYS A 24 3.360 -4.149 6.349 1.00 1.00 C ATOM 377 CD LYS A 24 3.239 -4.407 7.851 1.00 1.00 C ATOM 378 CE LYS A 24 2.167 -3.522 8.484 1.00 1.00 C ATOM 379 NZ LYS A 24 2.418 -3.343 9.926 1.00 1.00 N ATOM 0 H LYS A 24 2.749 -6.026 4.442 1.00 1.00 H new ATOM 0 HA LYS A 24 4.503 -3.868 3.968 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.341 -6.060 6.039 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.447 -4.704 6.132 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.574 -3.095 6.171 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.412 -4.369 5.859 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.996 -5.455 8.023 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.199 -4.219 8.332 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.153 -2.551 7.990 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.185 -3.970 8.334 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.569 -3.613 10.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 3.216 -3.943 10.217 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.646 -2.347 10.118 1.00 1.00 H new ATOM 393 N LEU A 25 5.837 -6.779 3.259 1.00 1.00 N ATOM 394 CA LEU A 25 6.969 -7.315 2.499 1.00 1.00 C ATOM 395 C LEU A 25 6.845 -6.894 1.035 1.00 1.00 C ATOM 396 O LEU A 25 7.829 -6.446 0.453 1.00 1.00 O ATOM 397 CB LEU A 25 6.988 -8.850 2.572 1.00 1.00 C ATOM 398 CG LEU A 25 7.404 -9.400 3.947 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.719 -10.748 4.182 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.926 -9.568 4.021 1.00 1.00 C ATOM 0 H LEU A 25 5.146 -7.473 3.543 1.00 1.00 H new ATOM 0 HA LEU A 25 7.891 -6.923 2.928 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.996 -9.229 2.324 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.673 -9.232 1.815 1.00 1.00 H new ATOM 0 HG LEU A 25 7.098 -8.694 4.719 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.012 -11.140 5.156 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.637 -10.616 4.154 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.019 -11.449 3.403 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.202 -9.958 5.001 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.253 -10.264 3.248 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.407 -8.602 3.867 1.00 1.00 H new ATOM 412 N LYS A 26 5.671 -7.048 0.422 1.00 1.00 N ATOM 413 CA LYS A 26 5.391 -6.790 -0.990 1.00 1.00 C ATOM 414 C LYS A 26 5.715 -5.359 -1.379 1.00 1.00 C ATOM 415 O LYS A 26 6.326 -5.157 -2.427 1.00 1.00 O ATOM 416 CB LYS A 26 3.932 -7.131 -1.304 1.00 1.00 C ATOM 417 CG LYS A 26 3.752 -8.644 -1.477 1.00 1.00 C ATOM 418 CD LYS A 26 3.984 -9.052 -2.926 1.00 1.00 C ATOM 419 CE LYS A 26 3.631 -10.525 -3.088 1.00 1.00 C ATOM 420 NZ LYS A 26 3.660 -10.907 -4.505 1.00 1.00 N ATOM 0 H LYS A 26 4.846 -7.374 0.925 1.00 1.00 H new ATOM 0 HA LYS A 26 6.039 -7.433 -1.586 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.289 -6.773 -0.500 1.00 1.00 H new ATOM 0 HB3 LYS A 26 3.621 -6.617 -2.213 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.449 -9.175 -0.829 1.00 1.00 H new ATOM 0 HG3 LYS A 26 2.747 -8.933 -1.169 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.372 -8.443 -3.591 1.00 1.00 H new ATOM 0 HD3 LYS A 26 5.024 -8.881 -3.204 1.00 1.00 H new ATOM 0 HE2 LYS A 26 4.335 -11.138 -2.525 1.00 1.00 H new ATOM 0 HE3 LYS A 26 2.641 -10.716 -2.674 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 2.692 -11.105 -4.831 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 4.062 -10.129 -5.066 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 4.246 -11.758 -4.623 1.00 1.00 H new ATOM 434 N LEU A 27 5.384 -4.401 -0.516 1.00 1.00 N ATOM 435 CA LEU A 27 5.683 -2.975 -0.623 1.00 1.00 C ATOM 436 C LEU A 27 7.177 -2.725 -0.828 1.00 1.00 C ATOM 437 O LEU A 27 7.555 -1.661 -1.326 1.00 1.00 O ATOM 438 CB LEU A 27 5.245 -2.284 0.679 1.00 1.00 C ATOM 439 CG LEU A 27 3.745 -1.963 0.813 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.428 -1.514 2.240 1.00 1.00 C ATOM 441 CD2 LEU A 27 3.351 -0.837 -0.136 1.00 1.00 C ATOM 0 H LEU A 27 4.864 -4.616 0.335 1.00 1.00 H new ATOM 0 HA LEU A 27 5.148 -2.577 -1.485 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.535 -2.919 1.517 1.00 1.00 H new ATOM 0 HB3 LEU A 27 5.804 -1.353 0.776 1.00 1.00 H new ATOM 0 HG LEU A 27 3.187 -2.867 0.568 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.365 -1.290 2.323 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.686 -2.310 2.938 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.007 -0.621 2.478 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.288 -0.625 -0.027 1.00 1.00 H new ATOM 0 HD22 LEU A 27 3.926 0.058 0.102 1.00 1.00 H new ATOM 0 HD23 LEU A 27 3.557 -1.138 -1.163 1.00 1.00 H new ATOM 453 N LEU A 28 8.028 -3.689 -0.468 1.00 1.00 N ATOM 454 CA LEU A 28 9.469 -3.616 -0.613 1.00 1.00 C ATOM 455 C LEU A 28 9.980 -4.918 -1.263 1.00 1.00 C ATOM 456 O LEU A 28 11.134 -5.300 -1.092 1.00 1.00 O ATOM 457 CB LEU A 28 10.048 -3.338 0.787 1.00 1.00 C ATOM 458 CG LEU A 28 11.469 -2.709 0.831 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.402 -3.460 1.775 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.198 -2.420 -0.494 1.00 1.00 C ATOM 0 H LEU A 28 7.714 -4.567 -0.055 1.00 1.00 H new ATOM 0 HA LEU A 28 9.792 -2.812 -1.275 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.363 -2.674 1.315 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.072 -4.277 1.340 1.00 1.00 H new ATOM 0 HG LEU A 28 11.229 -1.715 1.209 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.383 -2.984 1.772 1.00 1.00 H new ATOM 0 HD12 LEU A 28 11.992 -3.440 2.785 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.500 -4.494 1.444 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.174 -1.983 -0.284 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.328 -3.350 -1.048 1.00 1.00 H new ATOM 0 HD23 LEU A 28 11.609 -1.722 -1.089 1.00 1.00 H new ATOM 472 N SER A 29 9.122 -5.625 -2.004 1.00 1.00 N ATOM 473 CA SER A 29 9.446 -6.819 -2.770 1.00 1.00 C ATOM 474 C SER A 29 9.503 -6.392 -4.223 1.00 1.00 C ATOM 475 O SER A 29 10.564 -6.469 -4.843 1.00 1.00 O ATOM 476 CB SER A 29 8.405 -7.925 -2.547 1.00 1.00 C ATOM 477 OG SER A 29 8.825 -9.139 -3.137 1.00 1.00 O ATOM 0 H SER A 29 8.139 -5.364 -2.086 1.00 1.00 H new ATOM 0 HA SER A 29 10.400 -7.241 -2.453 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.247 -8.071 -1.478 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.449 -7.621 -2.972 1.00 1.00 H new ATOM 0 HG SER A 29 8.148 -9.830 -2.981 1.00 1.00 H new ATOM 483 N VAL A 30 8.364 -5.942 -4.758 1.00 1.00 N ATOM 484 CA VAL A 30 8.280 -5.455 -6.117 1.00 1.00 C ATOM 485 C VAL A 30 9.187 -4.210 -6.182 1.00 1.00 C ATOM 486 O VAL A 30 9.008 -3.290 -5.375 1.00 1.00 O ATOM 487 CB VAL A 30 6.794 -5.282 -6.498 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.063 -4.142 -5.781 1.00 1.00 C ATOM 489 CG2 VAL A 30 6.633 -5.155 -8.012 1.00 1.00 C ATOM 0 H VAL A 30 7.479 -5.910 -4.251 1.00 1.00 H new ATOM 0 HA VAL A 30 8.651 -6.139 -6.881 1.00 1.00 H new ATOM 0 HB VAL A 30 6.310 -6.193 -6.146 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.027 -4.105 -6.118 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.088 -4.314 -4.705 1.00 1.00 H new ATOM 0 HG13 VAL A 30 6.553 -3.195 -6.009 1.00 1.00 H new ATOM 0 HG21 VAL A 30 5.578 -5.034 -8.257 1.00 1.00 H new ATOM 0 HG22 VAL A 30 7.189 -4.287 -8.366 1.00 1.00 H new ATOM 0 HG23 VAL A 30 7.017 -6.053 -8.495 1.00 1.00 H new ATOM 499 N PRO A 31 10.216 -4.190 -7.050 1.00 1.00 N ATOM 500 CA PRO A 31 11.178 -3.101 -7.084 1.00 1.00 C ATOM 501 C PRO A 31 10.532 -1.814 -7.601 1.00 1.00 C ATOM 502 O PRO A 31 9.876 -1.800 -8.652 1.00 1.00 O ATOM 503 CB PRO A 31 12.326 -3.589 -7.970 1.00 1.00 C ATOM 504 CG PRO A 31 11.662 -4.615 -8.882 1.00 1.00 C ATOM 505 CD PRO A 31 10.584 -5.228 -7.999 1.00 1.00 C ATOM 0 HA PRO A 31 11.549 -2.849 -6.091 1.00 1.00 H new ATOM 0 HB2 PRO A 31 12.768 -2.772 -8.540 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.126 -4.035 -7.380 1.00 1.00 H new ATOM 0 HG2 PRO A 31 11.236 -4.147 -9.770 1.00 1.00 H new ATOM 0 HG3 PRO A 31 12.373 -5.365 -9.227 1.00 1.00 H new ATOM 0 HD2 PRO A 31 9.724 -5.540 -8.591 1.00 1.00 H new ATOM 0 HD3 PRO A 31 10.956 -6.114 -7.485 1.00 1.00 H new ATOM 513 N LEU A 32 10.740 -0.728 -6.860 1.00 1.00 N ATOM 514 CA LEU A 32 10.171 0.584 -7.142 1.00 1.00 C ATOM 515 C LEU A 32 11.043 1.317 -8.160 1.00 1.00 C ATOM 516 O LEU A 32 12.261 1.111 -8.204 1.00 1.00 O ATOM 517 CB LEU A 32 10.152 1.390 -5.833 1.00 1.00 C ATOM 518 CG LEU A 32 9.263 2.646 -5.862 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.780 2.280 -5.754 1.00 1.00 C ATOM 520 CD2 LEU A 32 9.651 3.539 -4.684 1.00 1.00 C ATOM 0 H LEU A 32 11.325 -0.739 -6.025 1.00 1.00 H new ATOM 0 HA LEU A 32 9.164 0.474 -7.544 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.812 0.740 -5.027 1.00 1.00 H new ATOM 0 HB3 LEU A 32 11.172 1.689 -5.592 1.00 1.00 H new ATOM 0 HG LEU A 32 9.414 3.164 -6.809 1.00 1.00 H new ATOM 0 HD11 LEU A 32 7.178 3.189 -5.777 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.502 1.639 -6.590 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.603 1.752 -4.817 1.00 1.00 H new ATOM 0 HD21 LEU A 32 9.031 4.436 -4.687 1.00 1.00 H new ATOM 0 HD22 LEU A 32 9.499 2.997 -3.751 1.00 1.00 H new ATOM 0 HD23 LEU A 32 10.700 3.823 -4.772 1.00 1.00 H new ATOM 532 N ARG A 33 10.449 2.220 -8.932 1.00 1.00 N ATOM 533 CA ARG A 33 11.175 3.071 -9.868 1.00 1.00 C ATOM 534 C ARG A 33 11.936 4.155 -9.112 1.00 1.00 C ATOM 535 O ARG A 33 11.663 4.425 -7.942 1.00 1.00 O ATOM 536 CB ARG A 33 10.180 3.704 -10.852 1.00 1.00 C ATOM 537 CG ARG A 33 9.676 2.648 -11.838 1.00 1.00 C ATOM 538 CD ARG A 33 8.691 3.258 -12.835 1.00 1.00 C ATOM 539 NE ARG A 33 8.415 2.315 -13.926 1.00 1.00 N ATOM 540 CZ ARG A 33 9.242 2.013 -14.931 1.00 1.00 C ATOM 541 NH1 ARG A 33 10.398 2.652 -15.086 1.00 1.00 N ATOM 542 NH2 ARG A 33 8.902 1.059 -15.781 1.00 1.00 N ATOM 0 H ARG A 33 9.442 2.383 -8.926 1.00 1.00 H new ATOM 0 HA ARG A 33 11.896 2.470 -10.422 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.340 4.134 -10.306 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.660 4.519 -11.393 1.00 1.00 H new ATOM 0 HG2 ARG A 33 10.520 2.213 -12.374 1.00 1.00 H new ATOM 0 HG3 ARG A 33 9.193 1.837 -11.293 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.762 3.517 -12.326 1.00 1.00 H new ATOM 0 HD3 ARG A 33 9.101 4.183 -13.241 1.00 1.00 H new ATOM 0 HE ARG A 33 7.509 1.847 -13.916 1.00 1.00 H new ATOM 0 HH11 ARG A 33 10.666 3.387 -14.431 1.00 1.00 H new ATOM 0 HH12 ARG A 33 11.016 2.407 -15.860 1.00 1.00 H new ATOM 0 HH21 ARG A 33 8.018 0.564 -15.665 1.00 1.00 H new ATOM 0 HH22 ARG A 33 9.524 0.818 -16.553 1.00 1.00 H new ATOM 556 N GLU A 34 12.883 4.791 -9.795 1.00 1.00 N ATOM 557 CA GLU A 34 13.709 5.841 -9.222 1.00 1.00 C ATOM 558 C GLU A 34 12.955 7.172 -9.304 1.00 1.00 C ATOM 559 O GLU A 34 12.245 7.455 -10.278 1.00 1.00 O ATOM 560 CB GLU A 34 15.060 5.863 -9.955 1.00 1.00 C ATOM 561 CG GLU A 34 16.066 6.889 -9.405 1.00 1.00 C ATOM 562 CD GLU A 34 16.242 8.082 -10.347 1.00 1.00 C ATOM 563 OE1 GLU A 34 17.045 7.981 -11.304 1.00 1.00 O ATOM 564 OE2 GLU A 34 15.589 9.132 -10.172 1.00 1.00 O ATOM 0 H GLU A 34 13.098 4.588 -10.771 1.00 1.00 H new ATOM 0 HA GLU A 34 13.916 5.658 -8.168 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.506 4.870 -9.899 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.884 6.075 -11.010 1.00 1.00 H new ATOM 0 HG2 GLU A 34 15.727 7.243 -8.431 1.00 1.00 H new ATOM 0 HG3 GLU A 34 17.030 6.404 -9.250 1.00 1.00 H new ATOM 571 N GLY A 35 13.106 7.973 -8.251 1.00 1.00 N ATOM 572 CA GLY A 35 12.442 9.240 -8.011 1.00 1.00 C ATOM 573 C GLY A 35 11.833 9.153 -6.626 1.00 1.00 C ATOM 574 O GLY A 35 12.268 9.837 -5.700 1.00 1.00 O ATOM 0 H GLY A 35 13.743 7.730 -7.492 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.150 10.066 -8.072 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.673 9.423 -8.762 1.00 1.00 H new ATOM 578 N TYR A 36 10.884 8.237 -6.479 1.00 1.00 N ATOM 579 CA TYR A 36 10.172 7.986 -5.233 1.00 1.00 C ATOM 580 C TYR A 36 11.087 7.341 -4.200 1.00 1.00 C ATOM 581 O TYR A 36 12.255 7.049 -4.472 1.00 1.00 O ATOM 582 CB TYR A 36 8.943 7.126 -5.532 1.00 1.00 C ATOM 583 CG TYR A 36 7.986 7.828 -6.465 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.302 8.977 -6.024 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.883 7.408 -7.803 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.538 9.730 -6.928 1.00 1.00 C ATOM 587 CE2 TYR A 36 7.133 8.168 -8.712 1.00 1.00 C ATOM 588 CZ TYR A 36 6.469 9.338 -8.279 1.00 1.00 C ATOM 589 OH TYR A 36 5.854 10.135 -9.190 1.00 1.00 O ATOM 0 H TYR A 36 10.581 7.633 -7.243 1.00 1.00 H new ATOM 0 HA TYR A 36 9.840 8.930 -4.801 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.258 6.182 -5.976 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.432 6.885 -4.600 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.366 9.279 -4.989 1.00 1.00 H new ATOM 0 HD2 TYR A 36 8.379 6.505 -8.129 1.00 1.00 H new ATOM 0 HE1 TYR A 36 6.005 10.606 -6.590 1.00 1.00 H new ATOM 0 HE2 TYR A 36 7.063 7.859 -9.744 1.00 1.00 H new ATOM 0 HH TYR A 36 5.898 9.715 -10.074 1.00 1.00 H new ATOM 599 N GLY A 37 10.558 7.138 -2.999 1.00 1.00 N ATOM 600 CA GLY A 37 11.287 6.525 -1.894 1.00 1.00 C ATOM 601 C GLY A 37 10.740 5.137 -1.595 1.00 1.00 C ATOM 602 O GLY A 37 9.565 4.872 -1.840 1.00 1.00 O ATOM 0 H GLY A 37 9.600 7.397 -2.762 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.346 6.458 -2.143 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.207 7.152 -1.006 1.00 1.00 H new ATOM 606 N ARG A 38 11.552 4.255 -1.011 1.00 1.00 N ATOM 607 CA ARG A 38 11.124 2.926 -0.577 1.00 1.00 C ATOM 608 C ARG A 38 11.046 2.913 0.934 1.00 1.00 C ATOM 609 O ARG A 38 12.023 3.262 1.603 1.00 1.00 O ATOM 610 CB ARG A 38 12.065 1.838 -1.107 1.00 1.00 C ATOM 611 CG ARG A 38 11.719 1.491 -2.556 1.00 1.00 C ATOM 612 CD ARG A 38 12.654 0.421 -3.117 1.00 1.00 C ATOM 613 NE ARG A 38 13.748 1.009 -3.901 1.00 1.00 N ATOM 614 CZ ARG A 38 15.039 0.677 -3.867 1.00 1.00 C ATOM 615 NH1 ARG A 38 15.567 0.008 -2.847 1.00 1.00 N ATOM 616 NH2 ARG A 38 15.795 1.059 -4.890 1.00 1.00 N ATOM 0 H ARG A 38 12.536 4.446 -0.824 1.00 1.00 H new ATOM 0 HA ARG A 38 10.138 2.706 -0.987 1.00 1.00 H new ATOM 0 HB2 ARG A 38 13.098 2.181 -1.045 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.987 0.947 -0.485 1.00 1.00 H new ATOM 0 HG2 ARG A 38 10.689 1.139 -2.610 1.00 1.00 H new ATOM 0 HG3 ARG A 38 11.782 2.389 -3.171 1.00 1.00 H new ATOM 0 HD2 ARG A 38 13.069 -0.165 -2.297 1.00 1.00 H new ATOM 0 HD3 ARG A 38 12.086 -0.266 -3.744 1.00 1.00 H new ATOM 0 HE ARG A 38 13.491 1.757 -4.545 1.00 1.00 H new ATOM 0 HH11 ARG A 38 14.980 -0.267 -2.059 1.00 1.00 H new ATOM 0 HH12 ARG A 38 16.559 -0.230 -2.852 1.00 1.00 H new ATOM 0 HH21 ARG A 38 15.383 1.585 -5.661 1.00 1.00 H new ATOM 0 HH22 ARG A 38 16.788 0.826 -4.905 1.00 1.00 H new ATOM 630 N ILE A 39 9.890 2.558 1.476 1.00 1.00 N ATOM 631 CA ILE A 39 9.709 2.409 2.910 1.00 1.00 C ATOM 632 C ILE A 39 10.199 0.981 3.199 1.00 1.00 C ATOM 633 O ILE A 39 9.615 0.036 2.668 1.00 1.00 O ATOM 634 CB ILE A 39 8.240 2.681 3.313 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.753 4.048 2.765 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.147 2.672 4.847 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.290 4.388 3.069 1.00 1.00 C ATOM 0 H ILE A 39 9.050 2.365 0.931 1.00 1.00 H new ATOM 0 HA ILE A 39 10.269 3.129 3.506 1.00 1.00 H new ATOM 0 HB ILE A 39 7.603 1.906 2.887 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.386 4.834 3.179 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.895 4.060 1.684 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.117 2.862 5.150 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.463 1.700 5.225 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.795 3.448 5.255 1.00 1.00 H new ATOM 0 HD11 ILE A 39 6.047 5.362 2.644 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.642 3.629 2.631 1.00 1.00 H new ATOM 0 HD13 ILE A 39 6.139 4.415 4.148 1.00 1.00 H new ATOM 649 N PRO A 40 11.301 0.788 3.948 1.00 1.00 N ATOM 650 CA PRO A 40 11.866 -0.536 4.159 1.00 1.00 C ATOM 651 C PRO A 40 10.930 -1.389 5.023 1.00 1.00 C ATOM 652 O PRO A 40 10.083 -0.884 5.766 1.00 1.00 O ATOM 653 CB PRO A 40 13.241 -0.296 4.788 1.00 1.00 C ATOM 654 CG PRO A 40 12.991 0.966 5.595 1.00 1.00 C ATOM 655 CD PRO A 40 12.080 1.777 4.673 1.00 1.00 C ATOM 0 HA PRO A 40 11.978 -1.104 3.236 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.555 -1.129 5.417 1.00 1.00 H new ATOM 0 HB3 PRO A 40 14.017 -0.154 4.036 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.512 0.748 6.549 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.918 1.495 5.817 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.436 2.446 5.244 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.661 2.399 3.992 1.00 1.00 H new ATOM 663 N ARG A 41 11.116 -2.706 4.984 1.00 1.00 N ATOM 664 CA ARG A 41 10.231 -3.644 5.661 1.00 1.00 C ATOM 665 C ARG A 41 10.266 -3.477 7.173 1.00 1.00 C ATOM 666 O ARG A 41 9.248 -3.712 7.820 1.00 1.00 O ATOM 667 CB ARG A 41 10.569 -5.072 5.212 1.00 1.00 C ATOM 668 CG ARG A 41 9.481 -6.096 5.575 1.00 1.00 C ATOM 669 CD ARG A 41 9.944 -7.116 6.622 1.00 1.00 C ATOM 670 NE ARG A 41 10.099 -6.529 7.965 1.00 1.00 N ATOM 671 CZ ARG A 41 10.689 -7.122 9.009 1.00 1.00 C ATOM 672 NH1 ARG A 41 11.351 -8.266 8.868 1.00 1.00 N ATOM 673 NH2 ARG A 41 10.621 -6.578 10.214 1.00 1.00 N ATOM 0 H ARG A 41 11.885 -3.151 4.482 1.00 1.00 H new ATOM 0 HA ARG A 41 9.201 -3.430 5.375 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.720 -5.080 4.133 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.511 -5.376 5.668 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.605 -5.569 5.952 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.171 -6.624 4.673 1.00 1.00 H new ATOM 0 HD2 ARG A 41 9.224 -7.933 6.669 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.895 -7.546 6.307 1.00 1.00 H new ATOM 0 HE ARG A 41 9.725 -5.591 8.111 1.00 1.00 H new ATOM 0 HH11 ARG A 41 11.416 -8.708 7.951 1.00 1.00 H new ATOM 0 HH12 ARG A 41 11.794 -8.702 9.677 1.00 1.00 H new ATOM 0 HH21 ARG A 41 10.117 -5.702 10.350 1.00 1.00 H new ATOM 0 HH22 ARG A 41 11.073 -7.035 11.006 1.00 1.00 H new ATOM 687 N GLY A 42 11.399 -3.099 7.761 1.00 1.00 N ATOM 688 CA GLY A 42 11.482 -2.815 9.186 1.00 1.00 C ATOM 689 C GLY A 42 10.489 -1.714 9.538 1.00 1.00 C ATOM 690 O GLY A 42 9.623 -1.911 10.392 1.00 1.00 O ATOM 0 H GLY A 42 12.281 -2.982 7.262 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.264 -3.715 9.761 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.494 -2.506 9.449 1.00 1.00 H new ATOM 694 N ALA A 43 10.577 -0.587 8.817 1.00 1.00 N ATOM 695 CA ALA A 43 9.688 0.554 8.985 1.00 1.00 C ATOM 696 C ALA A 43 8.240 0.089 8.886 1.00 1.00 C ATOM 697 O ALA A 43 7.452 0.335 9.799 1.00 1.00 O ATOM 698 CB ALA A 43 10.004 1.648 7.958 1.00 1.00 C ATOM 0 H ALA A 43 11.281 -0.448 8.092 1.00 1.00 H new ATOM 0 HA ALA A 43 9.843 0.990 9.972 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.327 2.490 8.103 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.033 1.983 8.088 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.877 1.250 6.951 1.00 1.00 H new ATOM 704 N LEU A 44 7.906 -0.631 7.815 1.00 1.00 N ATOM 705 CA LEU A 44 6.546 -1.075 7.551 1.00 1.00 C ATOM 706 C LEU A 44 5.977 -1.938 8.680 1.00 1.00 C ATOM 707 O LEU A 44 4.809 -1.760 9.030 1.00 1.00 O ATOM 708 CB LEU A 44 6.481 -1.773 6.190 1.00 1.00 C ATOM 709 CG LEU A 44 6.656 -0.807 5.003 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.708 -1.611 3.712 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.509 0.209 4.910 1.00 1.00 C ATOM 0 H LEU A 44 8.578 -0.922 7.105 1.00 1.00 H new ATOM 0 HA LEU A 44 5.904 -0.195 7.514 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.256 -2.538 6.144 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.523 -2.284 6.096 1.00 1.00 H new ATOM 0 HG LEU A 44 7.582 -0.254 5.158 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.832 -0.934 2.867 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.549 -2.304 3.748 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.781 -2.172 3.595 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.676 0.869 4.059 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.565 -0.319 4.780 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.471 0.800 5.825 1.00 1.00 H new ATOM 723 N LEU A 45 6.755 -2.859 9.255 1.00 1.00 N ATOM 724 CA LEU A 45 6.305 -3.634 10.418 1.00 1.00 C ATOM 725 C LEU A 45 6.113 -2.755 11.653 1.00 1.00 C ATOM 726 O LEU A 45 5.126 -2.961 12.360 1.00 1.00 O ATOM 727 CB LEU A 45 7.176 -4.867 10.728 1.00 1.00 C ATOM 728 CG LEU A 45 6.913 -6.158 9.918 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.633 -6.847 10.404 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.791 -5.998 8.405 1.00 1.00 C ATOM 0 H LEU A 45 7.697 -3.087 8.937 1.00 1.00 H new ATOM 0 HA LEU A 45 5.330 -4.030 10.134 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.219 -4.586 10.581 1.00 1.00 H new ATOM 0 HB3 LEU A 45 7.056 -5.105 11.785 1.00 1.00 H new ATOM 0 HG LEU A 45 7.811 -6.749 10.099 1.00 1.00 H new ATOM 0 HD11 LEU A 45 5.464 -7.753 9.822 1.00 1.00 H new ATOM 0 HD12 LEU A 45 5.737 -7.106 11.458 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.786 -6.172 10.278 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.608 -6.971 7.950 1.00 1.00 H new ATOM 0 HD22 LEU A 45 5.962 -5.328 8.176 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.716 -5.580 8.008 1.00 1.00 H new ATOM 742 N SER A 46 6.990 -1.783 11.932 1.00 1.00 N ATOM 743 CA SER A 46 6.798 -0.858 13.044 1.00 1.00 C ATOM 744 C SER A 46 5.646 0.141 12.820 1.00 1.00 C ATOM 745 O SER A 46 5.145 0.730 13.776 1.00 1.00 O ATOM 746 CB SER A 46 8.126 -0.151 13.324 1.00 1.00 C ATOM 747 OG SER A 46 8.733 0.400 12.171 1.00 1.00 O ATOM 0 H SER A 46 7.843 -1.620 11.397 1.00 1.00 H new ATOM 0 HA SER A 46 6.494 -1.433 13.919 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.958 0.644 14.050 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.815 -0.860 13.782 1.00 1.00 H new ATOM 0 HG SER A 46 8.066 0.481 11.457 1.00 1.00 H new ATOM 753 N MET A 47 5.237 0.351 11.568 1.00 1.00 N ATOM 754 CA MET A 47 4.110 1.173 11.158 1.00 1.00 C ATOM 755 C MET A 47 2.835 0.329 11.147 1.00 1.00 C ATOM 756 O MET A 47 2.870 -0.902 11.181 1.00 1.00 O ATOM 757 CB MET A 47 4.358 1.695 9.734 1.00 1.00 C ATOM 758 CG MET A 47 5.460 2.753 9.643 1.00 1.00 C ATOM 759 SD MET A 47 6.190 2.922 7.990 1.00 1.00 S ATOM 760 CE MET A 47 4.718 3.335 7.023 1.00 1.00 C ATOM 0 H MET A 47 5.713 -0.074 10.773 1.00 1.00 H new ATOM 0 HA MET A 47 4.000 2.004 11.855 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.621 0.855 9.091 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.431 2.116 9.346 1.00 1.00 H new ATOM 0 HG2 MET A 47 5.050 3.716 9.948 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.248 2.503 10.353 1.00 1.00 H new ATOM 0 HE1 MET A 47 5.008 3.559 5.996 1.00 1.00 H new ATOM 0 HE2 MET A 47 4.030 2.490 7.029 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.228 4.205 7.460 1.00 1.00 H new ATOM 770 N ASP A 48 1.690 0.990 11.067 1.00 1.00 N ATOM 771 CA ASP A 48 0.357 0.425 10.928 1.00 1.00 C ATOM 772 C ASP A 48 -0.338 1.097 9.749 1.00 1.00 C ATOM 773 O ASP A 48 0.329 1.646 8.869 1.00 1.00 O ATOM 774 CB ASP A 48 -0.435 0.551 12.228 1.00 1.00 C ATOM 775 CG ASP A 48 -0.603 1.980 12.732 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.039 2.857 11.955 1.00 1.00 O ATOM 777 OD2 ASP A 48 -0.322 2.184 13.935 1.00 1.00 O ATOM 0 H ASP A 48 1.667 2.009 11.100 1.00 1.00 H new ATOM 0 HA ASP A 48 0.425 -0.644 10.725 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.422 0.113 12.081 1.00 1.00 H new ATOM 0 HB3 ASP A 48 0.062 -0.037 13.000 1.00 1.00 H new ATOM 782 N ALA A 49 -1.658 0.962 9.697 1.00 1.00 N ATOM 783 CA ALA A 49 -2.510 1.428 8.619 1.00 1.00 C ATOM 784 C ALA A 49 -2.439 2.938 8.418 1.00 1.00 C ATOM 785 O ALA A 49 -2.135 3.381 7.308 1.00 1.00 O ATOM 786 CB ALA A 49 -3.955 0.997 8.921 1.00 1.00 C ATOM 0 H ALA A 49 -2.184 0.503 10.441 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.158 0.981 7.690 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.611 1.339 8.121 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.003 -0.090 8.991 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.276 1.436 9.866 1.00 1.00 H new ATOM 792 N LEU A 50 -2.749 3.738 9.441 1.00 1.00 N ATOM 793 CA LEU A 50 -2.747 5.190 9.281 1.00 1.00 C ATOM 794 C LEU A 50 -1.326 5.702 9.130 1.00 1.00 C ATOM 795 O LEU A 50 -1.076 6.576 8.305 1.00 1.00 O ATOM 796 CB LEU A 50 -3.450 5.884 10.441 1.00 1.00 C ATOM 797 CG LEU A 50 -3.797 7.354 10.118 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.848 7.479 9.005 1.00 1.00 C ATOM 799 CD2 LEU A 50 -4.364 8.033 11.363 1.00 1.00 C ATOM 0 H LEU A 50 -3.000 3.410 10.374 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.304 5.427 8.374 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.364 5.342 10.686 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.812 5.849 11.324 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.873 7.827 9.785 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.056 8.532 8.817 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -4.470 7.016 8.094 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -5.766 6.978 9.313 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -4.608 9.070 11.133 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -5.265 7.511 11.684 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.624 8.003 12.163 1.00 1.00 H new ATOM 811 N ASP A 51 -0.391 5.117 9.881 1.00 1.00 N ATOM 812 CA ASP A 51 1.027 5.442 9.747 1.00 1.00 C ATOM 813 C ASP A 51 1.490 5.235 8.313 1.00 1.00 C ATOM 814 O ASP A 51 2.244 6.064 7.792 1.00 1.00 O ATOM 815 CB ASP A 51 1.903 4.672 10.741 1.00 1.00 C ATOM 816 CG ASP A 51 1.924 5.317 12.121 1.00 1.00 C ATOM 817 OD1 ASP A 51 0.873 5.493 12.773 1.00 1.00 O ATOM 818 OD2 ASP A 51 3.029 5.724 12.550 1.00 1.00 O ATOM 0 H ASP A 51 -0.593 4.413 10.591 1.00 1.00 H new ATOM 0 HA ASP A 51 1.143 6.497 9.995 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.536 3.649 10.827 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.921 4.614 10.355 1.00 1.00 H new ATOM 823 N LEU A 52 1.067 4.138 7.672 1.00 1.00 N ATOM 824 CA LEU A 52 1.361 3.925 6.271 1.00 1.00 C ATOM 825 C LEU A 52 0.629 4.968 5.460 1.00 1.00 C ATOM 826 O LEU A 52 1.283 5.581 4.643 1.00 1.00 O ATOM 827 CB LEU A 52 0.970 2.512 5.828 1.00 1.00 C ATOM 828 CG LEU A 52 0.951 2.354 4.281 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.807 1.197 3.774 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.482 2.138 3.797 1.00 1.00 C ATOM 0 H LEU A 52 0.523 3.394 8.109 1.00 1.00 H new ATOM 0 HA LEU A 52 2.435 4.022 6.110 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.671 1.795 6.254 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.015 2.270 6.226 1.00 1.00 H new ATOM 0 HG LEU A 52 1.373 3.276 3.881 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.745 1.148 2.687 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.844 1.354 4.072 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.444 0.262 4.201 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.487 2.028 2.713 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.889 1.236 4.255 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.094 2.995 4.078 1.00 1.00 H new ATOM 842 N THR A 53 -0.672 5.165 5.631 1.00 1.00 N ATOM 843 CA THR A 53 -1.445 6.099 4.829 1.00 1.00 C ATOM 844 C THR A 53 -0.742 7.456 4.757 1.00 1.00 C ATOM 845 O THR A 53 -0.458 7.944 3.662 1.00 1.00 O ATOM 846 CB THR A 53 -2.858 6.188 5.427 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.462 4.907 5.457 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.758 7.138 4.645 1.00 1.00 C ATOM 0 H THR A 53 -1.223 4.676 6.337 1.00 1.00 H new ATOM 0 HA THR A 53 -1.528 5.751 3.799 1.00 1.00 H new ATOM 0 HB THR A 53 -2.746 6.577 6.439 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.076 4.380 6.188 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.745 7.167 5.106 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.325 8.138 4.652 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.848 6.789 3.616 1.00 1.00 H new ATOM 856 N ASP A 54 -0.396 8.025 5.911 1.00 1.00 N ATOM 857 CA ASP A 54 0.370 9.264 5.963 1.00 1.00 C ATOM 858 C ASP A 54 1.687 9.140 5.229 1.00 1.00 C ATOM 859 O ASP A 54 1.966 9.961 4.354 1.00 1.00 O ATOM 860 CB ASP A 54 0.614 9.767 7.389 1.00 1.00 C ATOM 861 CG ASP A 54 -0.589 10.527 7.922 1.00 1.00 C ATOM 862 OD1 ASP A 54 -0.700 11.743 7.628 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.422 9.928 8.630 1.00 1.00 O ATOM 0 H ASP A 54 -0.637 7.643 6.826 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.250 10.006 5.459 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.831 8.922 8.042 1.00 1.00 H new ATOM 0 HB3 ASP A 54 1.491 10.414 7.403 1.00 1.00 H new ATOM 868 N LYS A 55 2.505 8.138 5.565 1.00 1.00 N ATOM 869 CA LYS A 55 3.828 8.044 4.964 1.00 1.00 C ATOM 870 C LYS A 55 3.711 7.838 3.460 1.00 1.00 C ATOM 871 O LYS A 55 4.241 8.629 2.702 1.00 1.00 O ATOM 872 CB LYS A 55 4.666 6.935 5.618 1.00 1.00 C ATOM 873 CG LYS A 55 6.162 7.209 5.365 1.00 1.00 C ATOM 874 CD LYS A 55 7.096 6.304 6.186 1.00 1.00 C ATOM 875 CE LYS A 55 7.930 7.056 7.234 1.00 1.00 C ATOM 876 NZ LYS A 55 7.119 7.634 8.324 1.00 1.00 N ATOM 0 H LYS A 55 2.278 7.401 6.233 1.00 1.00 H new ATOM 0 HA LYS A 55 4.350 8.984 5.141 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.468 6.897 6.689 1.00 1.00 H new ATOM 0 HB3 LYS A 55 4.388 5.964 5.208 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.375 7.072 4.305 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.378 8.251 5.601 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.499 5.544 6.689 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.770 5.782 5.506 1.00 1.00 H new ATOM 0 HE2 LYS A 55 8.665 6.373 7.661 1.00 1.00 H new ATOM 0 HE3 LYS A 55 8.485 7.854 6.741 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 7.741 8.127 8.996 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 6.435 8.309 7.927 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 6.609 6.874 8.818 1.00 1.00 H new ATOM 890 N LEU A 56 3.031 6.793 3.014 1.00 1.00 N ATOM 891 CA LEU A 56 2.886 6.357 1.636 1.00 1.00 C ATOM 892 C LEU A 56 2.259 7.458 0.778 1.00 1.00 C ATOM 893 O LEU A 56 2.599 7.551 -0.396 1.00 1.00 O ATOM 894 CB LEU A 56 2.105 5.032 1.685 1.00 1.00 C ATOM 895 CG LEU A 56 1.941 4.170 0.427 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.805 4.654 -0.458 1.00 1.00 C ATOM 897 CD2 LEU A 56 3.203 3.965 -0.414 1.00 1.00 C ATOM 0 H LEU A 56 2.528 6.181 3.657 1.00 1.00 H new ATOM 0 HA LEU A 56 3.841 6.172 1.145 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.581 4.408 2.441 1.00 1.00 H new ATOM 0 HB3 LEU A 56 1.103 5.264 2.047 1.00 1.00 H new ATOM 0 HG LEU A 56 1.700 3.189 0.837 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.729 4.012 -1.336 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.131 4.619 0.100 1.00 1.00 H new ATOM 0 HD13 LEU A 56 1.001 5.679 -0.774 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.968 3.341 -1.276 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.574 4.931 -0.756 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.967 3.476 0.190 1.00 1.00 H new ATOM 909 N VAL A 57 1.401 8.324 1.321 1.00 1.00 N ATOM 910 CA VAL A 57 0.890 9.445 0.538 1.00 1.00 C ATOM 911 C VAL A 57 1.892 10.608 0.558 1.00 1.00 C ATOM 912 O VAL A 57 2.168 11.187 -0.492 1.00 1.00 O ATOM 913 CB VAL A 57 -0.514 9.828 1.031 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.990 11.116 0.359 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.496 8.693 0.695 1.00 1.00 C ATOM 0 H VAL A 57 1.053 8.272 2.278 1.00 1.00 H new ATOM 0 HA VAL A 57 0.783 9.158 -0.508 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.474 9.987 2.109 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.986 11.369 0.722 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.301 11.926 0.596 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.023 10.972 -0.721 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.494 8.960 1.043 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.517 8.538 -0.384 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.174 7.775 1.187 1.00 1.00 H new ATOM 925 N SER A 58 2.442 10.987 1.712 1.00 1.00 N ATOM 926 CA SER A 58 3.335 12.138 1.835 1.00 1.00 C ATOM 927 C SER A 58 4.633 11.898 1.050 1.00 1.00 C ATOM 928 O SER A 58 5.073 12.749 0.274 1.00 1.00 O ATOM 929 CB SER A 58 3.579 12.378 3.334 1.00 1.00 C ATOM 930 OG SER A 58 4.169 13.632 3.609 1.00 1.00 O ATOM 0 H SER A 58 2.279 10.500 2.593 1.00 1.00 H new ATOM 0 HA SER A 58 2.888 13.034 1.403 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.630 12.306 3.866 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.223 11.588 3.722 1.00 1.00 H new ATOM 0 HG SER A 58 4.298 13.728 4.576 1.00 1.00 H new ATOM 936 N PHE A 59 5.237 10.726 1.250 1.00 1.00 N ATOM 937 CA PHE A 59 6.498 10.236 0.697 1.00 1.00 C ATOM 938 C PHE A 59 6.415 10.007 -0.812 1.00 1.00 C ATOM 939 O PHE A 59 7.460 9.831 -1.442 1.00 1.00 O ATOM 940 CB PHE A 59 6.840 8.937 1.442 1.00 1.00 C ATOM 941 CG PHE A 59 8.263 8.416 1.441 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.305 9.188 1.985 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.512 7.081 1.072 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.589 8.635 2.132 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.786 6.520 1.254 1.00 1.00 C ATOM 946 CZ PHE A 59 10.830 7.298 1.773 1.00 1.00 C ATOM 0 H PHE A 59 4.813 10.029 1.863 1.00 1.00 H new ATOM 0 HA PHE A 59 7.281 10.981 0.837 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.545 9.073 2.483 1.00 1.00 H new ATOM 0 HB3 PHE A 59 6.207 8.151 1.031 1.00 1.00 H new ATOM 0 HD1 PHE A 59 9.119 10.207 2.290 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.719 6.485 0.646 1.00 1.00 H new ATOM 0 HE1 PHE A 59 11.394 9.240 2.523 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.962 5.487 0.994 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.815 6.872 1.896 1.00 1.00 H new ATOM 956 N TYR A 60 5.200 10.001 -1.378 1.00 1.00 N ATOM 957 CA TYR A 60 4.980 9.906 -2.810 1.00 1.00 C ATOM 958 C TYR A 60 4.064 11.068 -3.217 1.00 1.00 C ATOM 959 O TYR A 60 4.551 12.189 -3.307 1.00 1.00 O ATOM 960 CB TYR A 60 4.390 8.525 -3.164 1.00 1.00 C ATOM 961 CG TYR A 60 5.237 7.299 -2.853 1.00 1.00 C ATOM 962 CD1 TYR A 60 5.364 6.817 -1.536 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.809 6.567 -3.905 1.00 1.00 C ATOM 964 CE1 TYR A 60 6.014 5.599 -1.272 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.448 5.342 -3.655 1.00 1.00 C ATOM 966 CZ TYR A 60 6.548 4.848 -2.337 1.00 1.00 C ATOM 967 OH TYR A 60 7.214 3.690 -2.086 1.00 1.00 O ATOM 0 H TYR A 60 4.337 10.063 -0.838 1.00 1.00 H new ATOM 0 HA TYR A 60 5.915 9.988 -3.365 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.441 8.420 -2.639 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.167 8.518 -4.231 1.00 1.00 H new ATOM 0 HD1 TYR A 60 4.956 7.391 -0.717 1.00 1.00 H new ATOM 0 HD2 TYR A 60 5.757 6.949 -4.914 1.00 1.00 H new ATOM 0 HE1 TYR A 60 6.104 5.241 -0.257 1.00 1.00 H new ATOM 0 HE2 TYR A 60 6.865 4.776 -4.475 1.00 1.00 H new ATOM 0 HH TYR A 60 8.146 3.891 -1.858 1.00 1.00 H new ATOM 977 N LEU A 61 2.751 10.855 -3.338 1.00 1.00 N ATOM 978 CA LEU A 61 1.668 11.778 -3.706 1.00 1.00 C ATOM 979 C LEU A 61 0.347 11.050 -3.386 1.00 1.00 C ATOM 980 O LEU A 61 0.373 9.842 -3.145 1.00 1.00 O ATOM 981 CB LEU A 61 1.624 12.061 -5.221 1.00 1.00 C ATOM 982 CG LEU A 61 2.592 13.014 -5.952 1.00 1.00 C ATOM 983 CD1 LEU A 61 2.884 14.291 -5.170 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.856 12.344 -6.500 1.00 1.00 C ATOM 0 H LEU A 61 2.376 9.923 -3.160 1.00 1.00 H new ATOM 0 HA LEU A 61 1.820 12.715 -3.170 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.721 11.093 -5.714 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.619 12.428 -5.432 1.00 1.00 H new ATOM 0 HG LEU A 61 2.042 13.322 -6.841 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.571 14.917 -5.739 1.00 1.00 H new ATOM 0 HD12 LEU A 61 1.954 14.834 -5.000 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.336 14.035 -4.211 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.477 13.089 -6.997 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.415 11.896 -5.679 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.577 11.570 -7.214 1.00 1.00 H new ATOM 996 N GLU A 62 -0.817 11.717 -3.446 1.00 1.00 N ATOM 997 CA GLU A 62 -2.110 11.042 -3.272 1.00 1.00 C ATOM 998 C GLU A 62 -2.341 10.047 -4.408 1.00 1.00 C ATOM 999 O GLU A 62 -2.472 8.851 -4.145 1.00 1.00 O ATOM 1000 CB GLU A 62 -3.302 12.009 -3.208 1.00 1.00 C ATOM 1001 CG GLU A 62 -3.526 12.652 -1.834 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.569 13.786 -1.491 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -2.121 14.511 -2.413 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.362 14.026 -0.279 1.00 1.00 O ATOM 0 H GLU A 62 -0.887 12.721 -3.613 1.00 1.00 H new ATOM 0 HA GLU A 62 -2.055 10.530 -2.312 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -3.153 12.798 -3.945 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -4.206 11.471 -3.495 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -4.547 13.032 -1.789 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -3.439 11.880 -1.070 1.00 1.00 H new ATOM 1011 N THR A 63 -2.407 10.521 -5.659 1.00 1.00 N ATOM 1012 CA THR A 63 -2.720 9.660 -6.791 1.00 1.00 C ATOM 1013 C THR A 63 -1.704 8.525 -6.883 1.00 1.00 C ATOM 1014 O THR A 63 -2.127 7.366 -6.894 1.00 1.00 O ATOM 1015 CB THR A 63 -2.844 10.483 -8.084 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.973 11.326 -7.987 1.00 1.00 O ATOM 1017 CG2 THR A 63 -2.982 9.616 -9.340 1.00 1.00 C ATOM 0 H THR A 63 -2.247 11.498 -5.906 1.00 1.00 H new ATOM 0 HA THR A 63 -3.694 9.194 -6.640 1.00 1.00 H new ATOM 0 HB THR A 63 -1.923 11.057 -8.186 1.00 1.00 H new ATOM 0 HG1 THR A 63 -4.058 11.855 -8.807 1.00 1.00 H new ATOM 0 HG21 THR A 63 -3.065 10.257 -10.217 1.00 1.00 H new ATOM 0 HG22 THR A 63 -2.104 8.977 -9.439 1.00 1.00 H new ATOM 0 HG23 THR A 63 -3.875 8.996 -9.258 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.399 8.832 -6.904 1.00 1.00 N ATOM 1026 CA TYR A 64 0.632 7.800 -6.950 1.00 1.00 C ATOM 1027 C TYR A 64 0.529 6.868 -5.739 1.00 1.00 C ATOM 1028 O TYR A 64 0.757 5.674 -5.893 1.00 1.00 O ATOM 1029 CB TYR A 64 2.043 8.414 -7.038 1.00 1.00 C ATOM 1030 CG TYR A 64 3.130 7.397 -7.364 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.576 6.487 -6.384 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.661 7.317 -8.668 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.470 5.460 -6.722 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.583 6.308 -9.006 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.978 5.365 -8.032 1.00 1.00 C ATOM 1036 OH TYR A 64 5.801 4.333 -8.355 1.00 1.00 O ATOM 0 H TYR A 64 -0.039 9.786 -6.890 1.00 1.00 H new ATOM 0 HA TYR A 64 0.465 7.213 -7.853 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.045 9.193 -7.801 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.280 8.896 -6.090 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.227 6.581 -5.366 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.358 8.036 -9.414 1.00 1.00 H new ATOM 0 HE1 TYR A 64 4.770 4.740 -5.975 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.987 6.255 -10.006 1.00 1.00 H new ATOM 0 HH TYR A 64 6.065 4.408 -9.296 1.00 1.00 H new ATOM 1046 N GLY A 65 0.197 7.375 -4.550 1.00 1.00 N ATOM 1047 CA GLY A 65 0.122 6.582 -3.335 1.00 1.00 C ATOM 1048 C GLY A 65 -1.000 5.552 -3.417 1.00 1.00 C ATOM 1049 O GLY A 65 -0.775 4.364 -3.182 1.00 1.00 O ATOM 0 H GLY A 65 -0.029 8.360 -4.409 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.073 6.075 -3.169 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.044 7.237 -2.480 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.216 5.967 -3.770 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.320 5.025 -3.923 1.00 1.00 C ATOM 1055 C ALA A 66 -3.057 4.061 -5.074 1.00 1.00 C ATOM 1056 O ALA A 66 -3.384 2.878 -4.977 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.622 5.774 -4.153 1.00 1.00 C ATOM 0 H ALA A 66 -2.459 6.941 -3.954 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.403 4.445 -3.004 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.438 5.060 -4.266 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.823 6.424 -3.301 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.540 6.377 -5.057 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.434 4.560 -6.141 1.00 1.00 N ATOM 1064 CA GLU A 67 -2.041 3.753 -7.280 1.00 1.00 C ATOM 1065 C GLU A 67 -1.082 2.655 -6.814 1.00 1.00 C ATOM 1066 O GLU A 67 -1.346 1.487 -7.095 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.419 4.619 -8.384 1.00 1.00 C ATOM 1068 CG GLU A 67 -1.237 3.765 -9.646 1.00 1.00 C ATOM 1069 CD GLU A 67 -0.381 4.406 -10.735 1.00 1.00 C ATOM 1070 OE1 GLU A 67 0.373 5.372 -10.479 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -0.375 3.834 -11.850 1.00 1.00 O ATOM 0 H GLU A 67 -2.189 5.546 -6.233 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.926 3.284 -7.711 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -2.060 5.474 -8.597 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.458 5.015 -8.055 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.786 2.814 -9.362 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -2.220 3.541 -10.061 1.00 1.00 H new ATOM 1078 N LEU A 68 -0.011 3.016 -6.095 1.00 1.00 N ATOM 1079 CA LEU A 68 0.951 2.102 -5.487 1.00 1.00 C ATOM 1080 C LEU A 68 0.185 1.088 -4.664 1.00 1.00 C ATOM 1081 O LEU A 68 0.367 -0.105 -4.865 1.00 1.00 O ATOM 1082 CB LEU A 68 1.988 2.848 -4.620 1.00 1.00 C ATOM 1083 CG LEU A 68 2.976 1.897 -3.907 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.224 2.673 -3.473 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.378 1.231 -2.659 1.00 1.00 C ATOM 0 H LEU A 68 0.214 3.995 -5.917 1.00 1.00 H new ATOM 0 HA LEU A 68 1.514 1.600 -6.273 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.548 3.540 -5.249 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.466 3.447 -3.874 1.00 1.00 H new ATOM 0 HG LEU A 68 3.219 1.116 -4.627 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.916 1.997 -2.971 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.708 3.103 -4.350 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.936 3.471 -2.789 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.121 0.576 -2.205 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.084 1.998 -1.943 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.504 0.645 -2.943 1.00 1.00 H new ATOM 1097 N THR A 69 -0.647 1.552 -3.737 1.00 1.00 N ATOM 1098 CA THR A 69 -1.364 0.693 -2.811 1.00 1.00 C ATOM 1099 C THR A 69 -2.111 -0.375 -3.616 1.00 1.00 C ATOM 1100 O THR A 69 -1.830 -1.557 -3.437 1.00 1.00 O ATOM 1101 CB THR A 69 -2.241 1.550 -1.883 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.447 2.531 -1.257 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.894 0.751 -0.753 1.00 1.00 C ATOM 0 H THR A 69 -0.842 2.545 -3.609 1.00 1.00 H new ATOM 0 HA THR A 69 -0.691 0.155 -2.144 1.00 1.00 H new ATOM 0 HB THR A 69 -3.019 1.971 -2.520 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.290 3.271 -1.880 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.498 1.418 -0.138 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.530 -0.026 -1.177 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.120 0.291 -0.138 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.967 0.007 -4.572 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.688 -0.954 -5.398 1.00 1.00 C ATOM 1113 C ALA A 70 -2.737 -1.820 -6.246 1.00 1.00 C ATOM 1114 O ALA A 70 -3.063 -2.971 -6.501 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.662 -0.208 -6.321 1.00 1.00 C ATOM 0 H ALA A 70 -3.174 0.982 -4.789 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.233 -1.620 -4.729 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -5.201 -0.927 -6.938 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.373 0.358 -5.719 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -4.105 0.475 -6.962 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.584 -1.300 -6.683 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.601 -2.003 -7.517 1.00 1.00 C ATOM 1123 C ASN A 71 0.032 -3.149 -6.749 1.00 1.00 C ATOM 1124 O ASN A 71 -0.002 -4.296 -7.176 1.00 1.00 O ATOM 1125 CB ASN A 71 0.526 -1.052 -7.956 1.00 1.00 C ATOM 1126 CG ASN A 71 1.473 -1.658 -8.988 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.207 -2.684 -9.615 1.00 1.00 O ATOM 1128 ND2 ASN A 71 2.613 -1.032 -9.195 1.00 1.00 N ATOM 0 H ASN A 71 -1.300 -0.346 -6.458 1.00 1.00 H new ATOM 0 HA ASN A 71 -1.133 -2.381 -8.390 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.084 -0.146 -8.370 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.101 -0.755 -7.079 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.279 -1.397 -9.876 1.00 1.00 H new ATOM 0 HD22 ASN A 71 2.830 -0.182 -8.674 1.00 1.00 H new ATOM 1135 N VAL A 72 0.631 -2.815 -5.611 1.00 1.00 N ATOM 1136 CA VAL A 72 1.267 -3.753 -4.693 1.00 1.00 C ATOM 1137 C VAL A 72 0.217 -4.761 -4.190 1.00 1.00 C ATOM 1138 O VAL A 72 0.493 -5.958 -4.094 1.00 1.00 O ATOM 1139 CB VAL A 72 1.957 -2.969 -3.552 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.654 -3.934 -2.585 1.00 1.00 C ATOM 1141 CG2 VAL A 72 3.012 -1.960 -4.054 1.00 1.00 C ATOM 0 H VAL A 72 0.689 -1.848 -5.291 1.00 1.00 H new ATOM 0 HA VAL A 72 2.045 -4.327 -5.197 1.00 1.00 H new ATOM 0 HB VAL A 72 1.161 -2.414 -3.055 1.00 1.00 H new ATOM 0 HG11 VAL A 72 3.135 -3.367 -1.788 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.918 -4.612 -2.154 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.406 -4.510 -3.125 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.457 -1.445 -3.203 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.790 -2.490 -4.604 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.536 -1.232 -4.710 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.003 -4.306 -3.893 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.106 -5.183 -3.509 1.00 1.00 C ATOM 1153 C LEU A 73 -2.408 -6.149 -4.654 1.00 1.00 C ATOM 1154 O LEU A 73 -2.478 -7.353 -4.441 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.318 -4.334 -3.092 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.160 -3.703 -1.691 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.289 -2.701 -1.451 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.108 -4.683 -0.514 1.00 1.00 C ATOM 0 H LEU A 73 -1.252 -3.317 -3.913 1.00 1.00 H new ATOM 0 HA LEU A 73 -1.837 -5.790 -2.645 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.470 -3.542 -3.826 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.213 -4.957 -3.105 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.180 -3.226 -1.713 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.177 -2.256 -0.462 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.247 -1.918 -2.208 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.249 -3.213 -1.511 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -2.996 -4.128 0.417 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.031 -5.262 -0.482 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.261 -5.357 -0.639 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.521 -5.658 -5.883 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.695 -6.509 -7.056 1.00 1.00 C ATOM 1172 C ARG A 74 -1.499 -7.444 -7.249 1.00 1.00 C ATOM 1173 O ARG A 74 -1.688 -8.571 -7.703 1.00 1.00 O ATOM 1174 CB ARG A 74 -3.096 -5.642 -8.251 1.00 1.00 C ATOM 1175 CG ARG A 74 -3.679 -6.427 -9.440 1.00 1.00 C ATOM 1176 CD ARG A 74 -2.718 -6.501 -10.627 1.00 1.00 C ATOM 1177 NE ARG A 74 -2.429 -5.162 -11.165 1.00 1.00 N ATOM 1178 CZ ARG A 74 -1.332 -4.431 -10.942 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -0.211 -4.985 -10.494 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -1.382 -3.123 -11.146 1.00 1.00 N ATOM 0 H ARG A 74 -2.495 -4.661 -6.095 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.522 -7.207 -6.922 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.831 -4.908 -7.921 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -2.222 -5.087 -8.591 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -3.928 -7.437 -9.116 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -4.609 -5.957 -9.760 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -1.789 -6.979 -10.316 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -3.151 -7.124 -11.410 1.00 1.00 H new ATOM 0 HE ARG A 74 -3.139 -4.749 -11.770 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -0.175 -5.988 -10.313 1.00 1.00 H new ATOM 0 HH12 ARG A 74 0.614 -4.407 -10.331 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -2.248 -2.690 -11.468 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -0.555 -2.549 -10.981 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.285 -7.053 -6.851 1.00 1.00 N ATOM 1195 CA ASP A 75 0.885 -7.927 -6.888 1.00 1.00 C ATOM 1196 C ASP A 75 0.713 -9.045 -5.845 1.00 1.00 C ATOM 1197 O ASP A 75 1.169 -10.170 -6.070 1.00 1.00 O ATOM 1198 CB ASP A 75 2.178 -7.133 -6.705 1.00 1.00 C ATOM 1199 CG ASP A 75 3.393 -8.020 -6.964 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.818 -8.149 -8.139 1.00 1.00 O ATOM 1201 OD2 ASP A 75 3.920 -8.623 -6.006 1.00 1.00 O ATOM 0 H ASP A 75 -0.088 -6.118 -6.493 1.00 1.00 H new ATOM 0 HA ASP A 75 0.965 -8.394 -7.870 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.189 -6.283 -7.387 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.224 -6.730 -5.693 1.00 1.00 H new ATOM 1206 N MET A 76 0.006 -8.793 -4.731 1.00 1.00 N ATOM 1207 CA MET A 76 -0.327 -9.824 -3.735 1.00 1.00 C ATOM 1208 C MET A 76 -1.308 -10.850 -4.331 1.00 1.00 C ATOM 1209 O MET A 76 -1.575 -11.869 -3.698 1.00 1.00 O ATOM 1210 CB MET A 76 -1.011 -9.273 -2.463 1.00 1.00 C ATOM 1211 CG MET A 76 -0.251 -8.223 -1.654 1.00 1.00 C ATOM 1212 SD MET A 76 0.364 -8.846 -0.071 1.00 1.00 S ATOM 1213 CE MET A 76 -1.134 -9.126 0.918 1.00 1.00 C ATOM 0 H MET A 76 -0.351 -7.867 -4.496 1.00 1.00 H new ATOM 0 HA MET A 76 0.633 -10.263 -3.464 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.970 -8.844 -2.755 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.226 -10.115 -1.805 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.590 -7.858 -2.244 1.00 1.00 H new ATOM 0 HG3 MET A 76 -0.906 -7.371 -1.471 1.00 1.00 H new ATOM 0 HE1 MET A 76 -0.992 -10.000 1.554 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.328 -8.252 1.540 1.00 1.00 H new ATOM 0 HE3 MET A 76 -1.982 -9.294 0.254 1.00 1.00 H new ATOM 1223 N GLY A 77 -1.857 -10.603 -5.522 1.00 1.00 N ATOM 1224 CA GLY A 77 -2.874 -11.425 -6.164 1.00 1.00 C ATOM 1225 C GLY A 77 -4.291 -11.048 -5.719 1.00 1.00 C ATOM 1226 O GLY A 77 -5.262 -11.656 -6.176 1.00 1.00 O ATOM 0 H GLY A 77 -1.593 -9.794 -6.083 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.795 -11.318 -7.246 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -2.690 -12.474 -5.933 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.421 -10.072 -4.820 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.663 -9.488 -4.342 1.00 1.00 C ATOM 1232 C LEU A 78 -6.162 -8.597 -5.474 1.00 1.00 C ATOM 1233 O LEU A 78 -5.417 -7.750 -5.942 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.329 -8.721 -3.046 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.321 -7.687 -2.478 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.651 -7.100 -1.234 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -6.612 -6.501 -3.410 1.00 1.00 C ATOM 0 H LEU A 78 -3.605 -9.644 -4.381 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.447 -10.205 -4.098 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.155 -9.463 -2.267 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.383 -8.205 -3.211 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.267 -8.201 -2.306 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.308 -6.356 -0.783 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.457 -7.896 -0.515 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -4.709 -6.629 -1.516 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.319 -5.825 -2.929 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -5.685 -5.967 -3.620 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.039 -6.868 -4.344 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.395 -8.760 -5.941 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.910 -7.980 -7.070 1.00 1.00 C ATOM 1251 C GLN A 79 -9.175 -7.194 -6.714 1.00 1.00 C ATOM 1252 O GLN A 79 -9.413 -6.137 -7.305 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.044 -8.870 -8.320 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.792 -10.193 -8.098 1.00 1.00 C ATOM 1255 CD GLN A 79 -8.778 -11.077 -9.344 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -9.061 -10.623 -10.452 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -8.433 -12.345 -9.210 1.00 1.00 N ATOM 0 H GLN A 79 -8.063 -9.428 -5.555 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.182 -7.207 -7.318 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.559 -8.305 -9.096 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.046 -9.093 -8.697 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.337 -10.731 -7.267 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -9.823 -9.983 -7.815 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -8.199 -12.715 -8.289 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -8.400 -12.954 -10.028 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.944 -7.641 -5.715 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.208 -7.007 -5.345 1.00 1.00 C ATOM 1268 C GLU A 80 -10.961 -5.596 -4.784 1.00 1.00 C ATOM 1269 O GLU A 80 -11.352 -4.600 -5.398 1.00 1.00 O ATOM 1270 CB GLU A 80 -12.016 -7.942 -4.418 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.420 -8.146 -3.014 1.00 1.00 C ATOM 1272 CD GLU A 80 -11.794 -9.486 -2.391 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -12.979 -9.695 -2.046 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.869 -10.308 -2.185 1.00 1.00 O ATOM 0 H GLU A 80 -9.706 -8.451 -5.143 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.830 -6.856 -6.227 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -13.024 -7.541 -4.313 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.109 -8.915 -4.901 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.334 -8.071 -3.073 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.760 -7.342 -2.362 1.00 1.00 H new ATOM 1281 N MET A 81 -10.262 -5.503 -3.653 1.00 1.00 N ATOM 1282 CA MET A 81 -9.835 -4.264 -3.020 1.00 1.00 C ATOM 1283 C MET A 81 -8.957 -3.477 -3.980 1.00 1.00 C ATOM 1284 O MET A 81 -9.097 -2.274 -3.984 1.00 1.00 O ATOM 1285 CB MET A 81 -9.190 -4.598 -1.669 1.00 1.00 C ATOM 1286 CG MET A 81 -8.280 -3.488 -1.139 1.00 1.00 C ATOM 1287 SD MET A 81 -7.391 -3.908 0.380 1.00 1.00 S ATOM 1288 CE MET A 81 -8.760 -4.289 1.502 1.00 1.00 C ATOM 0 H MET A 81 -9.967 -6.329 -3.133 1.00 1.00 H new ATOM 0 HA MET A 81 -10.675 -3.606 -2.799 1.00 1.00 H new ATOM 0 HB2 MET A 81 -9.975 -4.794 -0.939 1.00 1.00 H new ATOM 0 HB3 MET A 81 -8.611 -5.516 -1.768 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.554 -3.231 -1.911 1.00 1.00 H new ATOM 0 HG3 MET A 81 -8.882 -2.597 -0.958 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.380 -4.391 2.518 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.493 -3.483 1.468 1.00 1.00 H new ATOM 0 HE3 MET A 81 -9.232 -5.222 1.196 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.124 -4.080 -4.833 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.342 -3.315 -5.806 1.00 1.00 C ATOM 1300 C ALA A 82 -8.259 -2.458 -6.692 1.00 1.00 C ATOM 1301 O ALA A 82 -8.070 -1.243 -6.777 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.449 -4.238 -6.640 1.00 1.00 C ATOM 0 H ALA A 82 -7.975 -5.088 -4.869 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.687 -2.636 -5.260 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.879 -3.644 -7.355 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.763 -4.772 -5.983 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.069 -4.956 -7.177 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.269 -3.065 -7.326 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.155 -2.316 -8.218 1.00 1.00 C ATOM 1310 C GLY A 83 -11.042 -1.330 -7.456 1.00 1.00 C ATOM 1311 O GLY A 83 -11.246 -0.191 -7.897 1.00 1.00 O ATOM 0 H GLY A 83 -9.489 -4.057 -7.239 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.557 -1.773 -8.950 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.783 -3.013 -8.773 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.576 -1.761 -6.312 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.373 -0.906 -5.446 1.00 1.00 C ATOM 1317 C GLN A 84 -11.568 0.288 -4.955 1.00 1.00 C ATOM 1318 O GLN A 84 -12.068 1.395 -5.041 1.00 1.00 O ATOM 1319 CB GLN A 84 -12.956 -1.712 -4.283 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.218 -2.470 -4.705 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.449 -1.579 -4.537 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -15.890 -1.340 -3.415 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.020 -1.050 -5.607 1.00 1.00 N ATOM 0 H GLN A 84 -11.465 -2.713 -5.964 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.205 -0.512 -6.029 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.210 -2.418 -3.918 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.192 -1.042 -3.456 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.130 -2.789 -5.744 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.328 -3.372 -4.103 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -15.649 -1.252 -6.535 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.831 -0.440 -5.503 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.330 0.092 -4.515 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.407 1.114 -4.034 1.00 1.00 C ATOM 1334 C LEU A 85 -9.118 2.142 -5.122 1.00 1.00 C ATOM 1335 O LEU A 85 -9.098 3.350 -4.863 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.109 0.413 -3.601 1.00 1.00 C ATOM 1337 CG LEU A 85 -7.011 1.331 -3.071 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.500 1.995 -1.800 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.784 0.505 -2.704 1.00 1.00 C ATOM 0 H LEU A 85 -9.919 -0.841 -4.483 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.850 1.647 -3.193 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.351 -0.318 -2.829 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.715 -0.142 -4.453 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.764 2.067 -3.836 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.723 2.654 -1.412 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.396 2.577 -2.015 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.733 1.232 -1.057 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -5.002 1.163 -2.326 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -6.050 -0.221 -1.935 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.421 -0.020 -3.588 1.00 1.00 H new ATOM 1351 N GLN A 86 -8.901 1.650 -6.345 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.704 2.478 -7.520 1.00 1.00 C ATOM 1353 C GLN A 86 -9.903 3.423 -7.675 1.00 1.00 C ATOM 1354 O GLN A 86 -9.703 4.639 -7.691 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.456 1.564 -8.731 1.00 1.00 C ATOM 1356 CG GLN A 86 -7.761 2.257 -9.908 1.00 1.00 C ATOM 1357 CD GLN A 86 -7.426 1.234 -10.996 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -6.733 0.253 -10.740 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -7.896 1.409 -12.218 1.00 1.00 N ATOM 0 H GLN A 86 -8.858 0.650 -6.541 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.825 3.117 -7.428 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.850 0.716 -8.414 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.411 1.164 -9.072 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -8.407 3.035 -10.315 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -6.850 2.747 -9.565 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -8.472 2.224 -12.431 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -7.683 0.730 -12.948 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.133 2.891 -7.710 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.336 3.726 -7.798 1.00 1.00 C ATOM 1370 C ALA A 87 -12.613 4.528 -6.517 1.00 1.00 C ATOM 1371 O ALA A 87 -13.183 5.613 -6.573 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.554 2.862 -8.130 1.00 1.00 C ATOM 0 H ALA A 87 -11.319 1.889 -7.679 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.152 4.447 -8.595 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.441 3.492 -8.193 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.396 2.362 -9.086 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.694 2.115 -7.349 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.222 4.042 -5.343 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.403 4.744 -4.083 1.00 1.00 C ATOM 1380 C ALA A 88 -11.613 6.046 -4.112 1.00 1.00 C ATOM 1381 O ALA A 88 -12.088 7.066 -3.612 1.00 1.00 O ATOM 1382 CB ALA A 88 -11.983 3.857 -2.911 1.00 1.00 C ATOM 0 H ALA A 88 -11.764 3.136 -5.242 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.458 4.983 -3.946 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.125 4.398 -1.976 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.591 2.953 -2.903 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -10.932 3.587 -3.018 1.00 1.00 H new ATOM 1388 N THR A 89 -10.440 6.022 -4.746 1.00 1.00 N ATOM 1389 CA THR A 89 -9.634 7.212 -4.921 1.00 1.00 C ATOM 1390 C THR A 89 -10.061 8.041 -6.128 1.00 1.00 C ATOM 1391 O THR A 89 -10.013 9.271 -6.079 1.00 1.00 O ATOM 1392 CB THR A 89 -8.152 6.820 -4.983 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.836 5.961 -3.903 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.277 8.074 -4.906 1.00 1.00 C ATOM 0 H THR A 89 -10.031 5.178 -5.147 1.00 1.00 H new ATOM 0 HA THR A 89 -9.791 7.860 -4.059 1.00 1.00 H new ATOM 0 HB THR A 89 -7.963 6.304 -5.924 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.178 5.062 -4.089 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.226 7.788 -4.951 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.510 8.732 -5.743 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.471 8.596 -3.969 1.00 1.00 H new ATOM 1402 N HIS A 90 -10.454 7.379 -7.209 1.00 1.00 N ATOM 1403 CA HIS A 90 -10.790 7.982 -8.485 1.00 1.00 C ATOM 1404 C HIS A 90 -11.815 7.134 -9.249 1.00 1.00 C ATOM 1405 O HIS A 90 -11.453 6.369 -10.146 1.00 1.00 O ATOM 1406 CB HIS A 90 -9.487 8.183 -9.288 1.00 1.00 C ATOM 1407 CG HIS A 90 -9.573 9.190 -10.408 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -8.488 9.731 -11.059 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -10.694 9.828 -10.866 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -8.938 10.701 -11.871 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -10.270 10.832 -11.745 1.00 1.00 N ATOM 0 H HIS A 90 -10.550 6.364 -7.217 1.00 1.00 H new ATOM 0 HA HIS A 90 -11.261 8.952 -8.325 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -8.700 8.493 -8.601 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -9.185 7.223 -9.706 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -11.715 9.600 -10.599 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -8.319 11.291 -12.530 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -10.858 11.529 -12.202 1.00 1.00 H new ATOM 1419 N GLN A 91 -13.097 7.253 -8.899 1.00 1.00 N ATOM 1420 CA GLN A 91 -14.174 6.570 -9.606 1.00 1.00 C ATOM 1421 C GLN A 91 -14.371 7.233 -10.952 1.00 1.00 C ATOM 1422 O GLN A 91 -14.204 8.469 -11.047 1.00 1.00 O ATOM 1423 CB GLN A 91 -15.477 6.575 -8.786 1.00 1.00 C ATOM 1424 CG GLN A 91 -16.536 5.589 -9.317 1.00 1.00 C ATOM 1425 CD GLN A 91 -17.701 6.294 -10.010 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -18.774 6.461 -9.434 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -17.541 6.754 -11.239 1.00 1.00 N ATOM 1428 OXT GLN A 91 -14.802 6.523 -11.886 1.00 1.00 O ATOM 0 H GLN A 91 -13.414 7.826 -8.117 1.00 1.00 H new ATOM 0 HA GLN A 91 -13.901 5.525 -9.753 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -15.247 6.327 -7.750 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.895 7.582 -8.787 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -16.066 4.899 -10.017 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -16.918 4.992 -8.489 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -16.653 6.619 -11.723 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -18.305 7.244 -11.704 1.00 1.00 H new TER 1437 GLN A 91