USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 832 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 Set 1.1: A 28 LYS NZ :NH3+ 164:sc= 0 (180deg=0) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.0164 K(o=-0.016,f=-0.85) USER MOD Single : A 1 SER N :NH3+ -148:sc= 0.0012 (180deg=0) USER MOD Single : A 1 SER OG : rot 100:sc= 0.647 USER MOD Single : A 2 MET CE :methyl 176:sc= -5.84! (180deg=-5.95!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -50:sc= -1.34 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -9.95! C(o=-9.9!,f=-13!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -0.0374 (180deg=-0.336) USER MOD Single : A 32 MET CE :methyl -177:sc= -5.37! (180deg=-5.63!) USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= -3.46! (180deg=-7.67!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= -2.42 (180deg=-2.84) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= -0.157 (180deg=-0.166) USER MOD Single : A 48 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.031) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= -0.0177 (180deg=-0.167) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -80:sc= 0.0186 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.153 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= -0.0298 (180deg=-0.243) USER MOD Single : A 82 THR OG1 : rot 46:sc= 1.51 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 101:sc= 0.976 USER MOD Single : A 86 MET CE :methyl 176:sc= -6.26! (180deg=-6.49!) USER MOD Single : A 91 LYS NZ :NH3+ -109:sc= 0.00388 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.722 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 112:sc= -0.192 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.766 -10.133 8.234 1.00 0.00 N ATOM 2 CA SER A 1 5.487 -10.334 7.506 1.00 0.00 C ATOM 3 C SER A 1 5.688 -10.188 6.002 1.00 0.00 C ATOM 4 O SER A 1 5.551 -11.152 5.250 1.00 0.00 O ATOM 5 CB SER A 1 4.442 -9.326 7.988 1.00 0.00 C ATOM 6 OG SER A 1 4.886 -7.994 7.790 1.00 0.00 O ATOM 0 H1 SER A 1 6.774 -10.723 9.091 1.00 0.00 H new ATOM 0 H2 SER A 1 7.561 -10.403 7.620 1.00 0.00 H new ATOM 0 H3 SER A 1 6.859 -9.132 8.502 1.00 0.00 H new ATOM 0 HA SER A 1 5.135 -11.345 7.712 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.506 -9.484 7.452 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.235 -9.490 9.046 1.00 0.00 H new ATOM 0 HG SER A 1 4.477 -7.630 6.977 1.00 0.00 H new ATOM 14 N MET A 2 6.013 -8.973 5.571 1.00 0.00 N ATOM 15 CA MET A 2 6.236 -8.696 4.157 1.00 0.00 C ATOM 16 C MET A 2 7.694 -8.932 3.779 1.00 0.00 C ATOM 17 O MET A 2 8.370 -8.033 3.279 1.00 0.00 O ATOM 18 CB MET A 2 5.832 -7.257 3.832 1.00 0.00 C ATOM 19 CG MET A 2 4.341 -7.080 3.613 1.00 0.00 C ATOM 20 SD MET A 2 3.364 -7.859 4.906 1.00 0.00 S ATOM 21 CE MET A 2 3.050 -9.472 4.197 1.00 0.00 C ATOM 0 H MET A 2 6.128 -8.164 6.182 1.00 0.00 H new ATOM 0 HA MET A 2 5.618 -9.379 3.574 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.151 -6.606 4.646 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.363 -6.932 2.937 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.106 -6.016 3.574 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.065 -7.503 2.647 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.515 -10.089 4.919 1.00 0.00 H new ATOM 0 HE2 MET A 2 2.447 -9.362 3.296 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.997 -9.949 3.944 1.00 0.00 H new ATOM 31 N THR A 3 8.169 -10.149 4.021 1.00 0.00 N ATOM 32 CA THR A 3 9.548 -10.508 3.711 1.00 0.00 C ATOM 33 C THR A 3 9.612 -11.518 2.568 1.00 0.00 C ATOM 34 O THR A 3 10.405 -11.368 1.639 1.00 0.00 O ATOM 35 CB THR A 3 10.261 -11.094 4.946 1.00 0.00 C ATOM 36 OG1 THR A 3 10.263 -10.137 6.011 1.00 0.00 O ATOM 37 CG2 THR A 3 11.692 -11.489 4.611 1.00 0.00 C ATOM 0 H THR A 3 7.619 -10.904 4.431 1.00 0.00 H new ATOM 0 HA THR A 3 10.056 -9.593 3.406 1.00 0.00 H new ATOM 0 HB THR A 3 9.719 -11.986 5.260 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.716 -10.518 6.792 1.00 0.00 H new ATOM 0 HG21 THR A 3 12.173 -11.900 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.687 -12.240 3.821 1.00 0.00 H new ATOM 0 HG23 THR A 3 12.242 -10.611 4.273 1.00 0.00 H new ATOM 45 N ASP A 4 8.774 -12.546 2.645 1.00 0.00 N ATOM 46 CA ASP A 4 8.736 -13.579 1.615 1.00 0.00 C ATOM 47 C ASP A 4 7.756 -13.205 0.508 1.00 0.00 C ATOM 48 O ASP A 4 7.899 -13.638 -0.636 1.00 0.00 O ATOM 49 CB ASP A 4 8.343 -14.925 2.227 1.00 0.00 C ATOM 50 CG ASP A 4 9.326 -15.387 3.283 1.00 0.00 C ATOM 51 OD1 ASP A 4 9.219 -14.922 4.436 1.00 0.00 O ATOM 52 OD2 ASP A 4 10.203 -16.216 2.956 1.00 0.00 O ATOM 0 H ASP A 4 8.113 -12.687 3.409 1.00 0.00 H new ATOM 0 HA ASP A 4 9.733 -13.663 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.350 -14.844 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.281 -15.675 1.439 1.00 0.00 H new ATOM 57 N LEU A 5 6.762 -12.396 0.856 1.00 0.00 N ATOM 58 CA LEU A 5 5.757 -11.962 -0.104 1.00 0.00 C ATOM 59 C LEU A 5 6.186 -10.665 -0.781 1.00 0.00 C ATOM 60 O LEU A 5 5.843 -10.409 -1.936 1.00 0.00 O ATOM 61 CB LEU A 5 4.413 -11.781 0.591 1.00 0.00 C ATOM 62 CG LEU A 5 3.959 -12.986 1.408 1.00 0.00 C ATOM 63 CD1 LEU A 5 3.783 -12.594 2.861 1.00 0.00 C ATOM 64 CD2 LEU A 5 2.673 -13.568 0.841 1.00 0.00 C ATOM 0 H LEU A 5 6.631 -12.027 1.798 1.00 0.00 H new ATOM 0 HA LEU A 5 5.655 -12.729 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.471 -10.913 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.655 -11.561 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 5 4.727 -13.757 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.459 -13.462 3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.731 -12.230 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.032 -11.807 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.367 -14.426 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.889 -12.811 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.840 -13.884 -0.189 1.00 0.00 H new ATOM 76 N LEU A 6 6.937 -9.852 -0.049 1.00 0.00 N ATOM 77 CA LEU A 6 7.429 -8.584 -0.569 1.00 0.00 C ATOM 78 C LEU A 6 8.917 -8.443 -0.303 1.00 0.00 C ATOM 79 O LEU A 6 9.428 -8.953 0.695 1.00 0.00 O ATOM 80 CB LEU A 6 6.697 -7.410 0.078 1.00 0.00 C ATOM 81 CG LEU A 6 5.223 -7.280 -0.288 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.622 -6.037 0.352 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.065 -7.231 -1.796 1.00 0.00 C ATOM 0 H LEU A 6 7.219 -10.050 0.911 1.00 0.00 H new ATOM 0 HA LEU A 6 7.246 -8.574 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.779 -7.505 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.206 -6.487 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 6 4.689 -8.151 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.569 -5.960 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.712 -6.106 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.153 -5.153 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.009 -7.138 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.609 -6.373 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.463 -8.146 -2.234 1.00 0.00 H new ATOM 95 N SER A 7 9.616 -7.753 -1.195 1.00 0.00 N ATOM 96 CA SER A 7 11.041 -7.546 -1.018 1.00 0.00 C ATOM 97 C SER A 7 11.288 -6.829 0.308 1.00 0.00 C ATOM 98 O SER A 7 10.953 -5.656 0.459 1.00 0.00 O ATOM 99 CB SER A 7 11.610 -6.728 -2.177 1.00 0.00 C ATOM 100 OG SER A 7 11.645 -7.487 -3.373 1.00 0.00 O ATOM 0 H SER A 7 9.223 -7.333 -2.037 1.00 0.00 H new ATOM 0 HA SER A 7 11.544 -8.513 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.003 -5.835 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.616 -6.391 -1.928 1.00 0.00 H new ATOM 0 HG SER A 7 12.075 -8.351 -3.200 1.00 0.00 H new ATOM 106 N ALA A 8 11.879 -7.541 1.263 1.00 0.00 N ATOM 107 CA ALA A 8 12.148 -6.977 2.585 1.00 0.00 C ATOM 108 C ALA A 8 13.088 -5.780 2.514 1.00 0.00 C ATOM 109 O ALA A 8 12.868 -4.769 3.181 1.00 0.00 O ATOM 110 CB ALA A 8 12.719 -8.045 3.504 1.00 0.00 C ATOM 0 H ALA A 8 12.181 -8.508 1.148 1.00 0.00 H new ATOM 0 HA ALA A 8 11.200 -6.622 2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.915 -7.613 4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.003 -8.861 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.649 -8.428 3.083 1.00 0.00 H new ATOM 116 N GLU A 9 14.139 -5.898 1.713 1.00 0.00 N ATOM 117 CA GLU A 9 15.107 -4.818 1.568 1.00 0.00 C ATOM 118 C GLU A 9 14.471 -3.613 0.886 1.00 0.00 C ATOM 119 O GLU A 9 14.700 -2.469 1.278 1.00 0.00 O ATOM 120 CB GLU A 9 16.314 -5.298 0.760 1.00 0.00 C ATOM 121 CG GLU A 9 15.971 -5.678 -0.671 1.00 0.00 C ATOM 122 CD GLU A 9 17.157 -6.250 -1.423 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.963 -5.457 -1.951 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.280 -7.492 -1.480 1.00 0.00 O ATOM 0 H GLU A 9 14.343 -6.727 1.155 1.00 0.00 H new ATOM 0 HA GLU A 9 15.439 -4.519 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.069 -4.512 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.757 -6.159 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.163 -6.409 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.601 -4.798 -1.198 1.00 0.00 H new ATOM 131 N ASP A 10 13.671 -3.883 -0.139 1.00 0.00 N ATOM 132 CA ASP A 10 12.998 -2.833 -0.894 1.00 0.00 C ATOM 133 C ASP A 10 12.158 -1.942 0.007 1.00 0.00 C ATOM 134 O ASP A 10 12.292 -0.721 -0.006 1.00 0.00 O ATOM 135 CB ASP A 10 12.092 -3.466 -1.938 1.00 0.00 C ATOM 136 CG ASP A 10 12.870 -4.236 -2.989 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.038 -4.587 -2.724 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.308 -4.490 -4.075 1.00 0.00 O ATOM 0 H ASP A 10 13.472 -4.828 -0.468 1.00 0.00 H new ATOM 0 HA ASP A 10 13.764 -2.219 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.389 -4.138 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.503 -2.688 -2.423 1.00 0.00 H new ATOM 143 N ILE A 11 11.287 -2.567 0.781 1.00 0.00 N ATOM 144 CA ILE A 11 10.413 -1.848 1.695 1.00 0.00 C ATOM 145 C ILE A 11 11.228 -1.047 2.703 1.00 0.00 C ATOM 146 O ILE A 11 10.993 0.145 2.895 1.00 0.00 O ATOM 147 CB ILE A 11 9.496 -2.825 2.440 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.729 -3.717 1.462 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.532 -2.070 3.342 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.436 -5.091 2.019 1.00 0.00 C ATOM 0 H ILE A 11 11.165 -3.580 0.795 1.00 0.00 H new ATOM 0 HA ILE A 11 9.804 -1.162 1.107 1.00 0.00 H new ATOM 0 HB ILE A 11 10.122 -3.467 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.790 -3.231 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.306 -3.819 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.889 -2.780 3.863 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.096 -1.489 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.919 -1.400 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.890 -5.675 1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.373 -5.594 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.833 -4.997 2.922 1.00 0.00 H new ATOM 162 N LYS A 12 12.184 -1.706 3.348 1.00 0.00 N ATOM 163 CA LYS A 12 13.035 -1.039 4.324 1.00 0.00 C ATOM 164 C LYS A 12 13.785 0.110 3.663 1.00 0.00 C ATOM 165 O LYS A 12 13.832 1.223 4.188 1.00 0.00 O ATOM 166 CB LYS A 12 14.025 -2.031 4.940 1.00 0.00 C ATOM 167 CG LYS A 12 13.356 -3.117 5.763 1.00 0.00 C ATOM 168 CD LYS A 12 14.380 -4.034 6.414 1.00 0.00 C ATOM 169 CE LYS A 12 13.709 -5.133 7.222 1.00 0.00 C ATOM 170 NZ LYS A 12 14.701 -6.072 7.814 1.00 0.00 N ATOM 0 H LYS A 12 12.388 -2.696 3.213 1.00 0.00 H new ATOM 0 HA LYS A 12 12.406 -0.640 5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.606 -2.495 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.727 -1.487 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.734 -2.660 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.695 -3.703 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.011 -4.480 5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.032 -3.450 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.113 -4.686 8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.022 -5.687 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.203 -6.806 8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.253 -6.518 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.341 -5.549 8.445 1.00 0.00 H new ATOM 184 N LYS A 13 14.363 -0.171 2.499 1.00 0.00 N ATOM 185 CA LYS A 13 15.105 0.835 1.746 1.00 0.00 C ATOM 186 C LYS A 13 14.185 1.963 1.308 1.00 0.00 C ATOM 187 O LYS A 13 14.460 3.139 1.535 1.00 0.00 O ATOM 188 CB LYS A 13 15.718 0.204 0.498 1.00 0.00 C ATOM 189 CG LYS A 13 16.841 -0.782 0.776 1.00 0.00 C ATOM 190 CD LYS A 13 17.030 -1.772 -0.372 1.00 0.00 C ATOM 191 CE LYS A 13 16.976 -1.094 -1.735 1.00 0.00 C ATOM 192 NZ LYS A 13 17.390 -2.015 -2.830 1.00 0.00 N ATOM 0 H LYS A 13 14.332 -1.089 2.056 1.00 0.00 H new ATOM 0 HA LYS A 13 15.887 1.231 2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.932 -0.307 -0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.099 0.997 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.770 -0.236 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.625 -1.328 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.989 -2.278 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.257 -2.538 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.963 -0.738 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.626 -0.219 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.340 -1.516 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.365 -2.335 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.754 -2.838 -2.850 1.00 0.00 H new ATOM 206 N ALA A 14 13.077 1.581 0.689 1.00 0.00 N ATOM 207 CA ALA A 14 12.104 2.535 0.187 1.00 0.00 C ATOM 208 C ALA A 14 11.452 3.328 1.314 1.00 0.00 C ATOM 209 O ALA A 14 11.469 4.558 1.310 1.00 0.00 O ATOM 210 CB ALA A 14 11.047 1.807 -0.629 1.00 0.00 C ATOM 0 H ALA A 14 12.830 0.606 0.522 1.00 0.00 H new ATOM 0 HA ALA A 14 12.629 3.248 -0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.318 2.526 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.521 1.299 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.543 1.074 0.000 1.00 0.00 H new ATOM 216 N ILE A 15 10.891 2.613 2.282 1.00 0.00 N ATOM 217 CA ILE A 15 10.212 3.247 3.402 1.00 0.00 C ATOM 218 C ILE A 15 11.107 4.252 4.127 1.00 0.00 C ATOM 219 O ILE A 15 10.634 5.284 4.602 1.00 0.00 O ATOM 220 CB ILE A 15 9.658 2.196 4.374 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.486 1.546 3.664 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.222 2.813 5.704 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.596 0.714 4.539 1.00 0.00 C ATOM 0 H ILE A 15 10.894 1.593 2.312 1.00 0.00 H new ATOM 0 HA ILE A 15 9.373 3.809 2.992 1.00 0.00 H new ATOM 0 HB ILE A 15 10.428 1.468 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.885 2.327 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.871 0.918 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.837 2.031 6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.076 3.296 6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.441 3.552 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.788 0.292 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.176 -0.093 4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.175 1.338 5.328 1.00 0.00 H new ATOM 235 N GLY A 16 12.396 3.947 4.211 1.00 0.00 N ATOM 236 CA GLY A 16 13.321 4.837 4.895 1.00 0.00 C ATOM 237 C GLY A 16 14.060 5.791 3.975 1.00 0.00 C ATOM 238 O GLY A 16 13.952 7.010 4.123 1.00 0.00 O ATOM 0 H GLY A 16 12.818 3.104 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.770 5.417 5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.050 4.237 5.439 1.00 0.00 H new ATOM 242 N ALA A 17 14.815 5.241 3.031 1.00 0.00 N ATOM 243 CA ALA A 17 15.602 6.046 2.091 1.00 0.00 C ATOM 244 C ALA A 17 14.875 7.310 1.640 1.00 0.00 C ATOM 245 O ALA A 17 15.410 8.415 1.740 1.00 0.00 O ATOM 246 CB ALA A 17 15.973 5.220 0.871 1.00 0.00 C ATOM 0 H ALA A 17 14.902 4.234 2.892 1.00 0.00 H new ATOM 0 HA ALA A 17 16.500 6.355 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.557 5.830 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.563 4.358 1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.065 4.878 0.373 1.00 0.00 H new ATOM 252 N PHE A 18 13.656 7.142 1.148 1.00 0.00 N ATOM 253 CA PHE A 18 12.881 8.257 0.649 1.00 0.00 C ATOM 254 C PHE A 18 11.434 8.197 1.114 1.00 0.00 C ATOM 255 O PHE A 18 10.676 7.313 0.716 1.00 0.00 O ATOM 256 CB PHE A 18 12.945 8.240 -0.869 1.00 0.00 C ATOM 257 CG PHE A 18 12.555 6.919 -1.474 1.00 0.00 C ATOM 258 CD1 PHE A 18 13.513 5.947 -1.705 1.00 0.00 C ATOM 259 CD2 PHE A 18 11.239 6.653 -1.818 1.00 0.00 C ATOM 260 CE1 PHE A 18 13.169 4.732 -2.263 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.886 5.435 -2.378 1.00 0.00 C ATOM 262 CZ PHE A 18 11.854 4.475 -2.597 1.00 0.00 C ATOM 0 H PHE A 18 13.185 6.239 1.086 1.00 0.00 H new ATOM 0 HA PHE A 18 13.302 9.183 1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.289 9.017 -1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.958 8.489 -1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 18 14.543 6.142 -1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.480 7.403 -1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.927 3.983 -2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.858 5.238 -2.642 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.583 3.523 -3.029 1.00 0.00 H new ATOM 272 N THR A 19 11.057 9.145 1.962 1.00 0.00 N ATOM 273 CA THR A 19 9.697 9.211 2.471 1.00 0.00 C ATOM 274 C THR A 19 8.830 10.078 1.561 1.00 0.00 C ATOM 275 O THR A 19 7.618 9.892 1.480 1.00 0.00 O ATOM 276 CB THR A 19 9.653 9.774 3.902 1.00 0.00 C ATOM 277 OG1 THR A 19 10.124 11.127 3.912 1.00 0.00 O ATOM 278 CG2 THR A 19 10.503 8.930 4.840 1.00 0.00 C ATOM 0 H THR A 19 11.675 9.878 2.311 1.00 0.00 H new ATOM 0 HA THR A 19 9.308 8.193 2.489 1.00 0.00 H new ATOM 0 HB THR A 19 8.620 9.747 4.248 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.091 11.478 4.826 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.457 9.346 5.846 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.125 7.908 4.853 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.537 8.930 4.494 1.00 0.00 H new ATOM 286 N ALA A 20 9.471 11.028 0.883 1.00 0.00 N ATOM 287 CA ALA A 20 8.786 11.932 -0.032 1.00 0.00 C ATOM 288 C ALA A 20 7.837 11.174 -0.951 1.00 0.00 C ATOM 289 O ALA A 20 6.682 11.560 -1.116 1.00 0.00 O ATOM 290 CB ALA A 20 9.804 12.709 -0.853 1.00 0.00 C ATOM 0 H ALA A 20 10.475 11.191 0.953 1.00 0.00 H new ATOM 0 HA ALA A 20 8.193 12.629 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.284 13.382 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.443 13.289 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.416 12.013 -1.427 1.00 0.00 H new ATOM 296 N ALA A 21 8.331 10.096 -1.555 1.00 0.00 N ATOM 297 CA ALA A 21 7.515 9.289 -2.454 1.00 0.00 C ATOM 298 C ALA A 21 6.219 8.871 -1.773 1.00 0.00 C ATOM 299 O ALA A 21 5.132 9.277 -2.178 1.00 0.00 O ATOM 300 CB ALA A 21 8.292 8.071 -2.926 1.00 0.00 C ATOM 0 H ALA A 21 9.288 9.763 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 21 7.261 9.893 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.669 7.479 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.189 8.394 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.577 7.465 -2.066 1.00 0.00 H new ATOM 306 N ASP A 22 6.344 8.057 -0.735 1.00 0.00 N ATOM 307 CA ASP A 22 5.180 7.604 0.019 1.00 0.00 C ATOM 308 C ASP A 22 4.425 8.807 0.561 1.00 0.00 C ATOM 309 O ASP A 22 3.201 8.789 0.687 1.00 0.00 O ATOM 310 CB ASP A 22 5.611 6.684 1.168 1.00 0.00 C ATOM 311 CG ASP A 22 4.475 6.366 2.127 1.00 0.00 C ATOM 312 OD1 ASP A 22 4.149 7.230 2.967 1.00 0.00 O ATOM 313 OD2 ASP A 22 3.914 5.254 2.037 1.00 0.00 O ATOM 0 H ASP A 22 7.236 7.697 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 22 4.525 7.039 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.003 5.754 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.424 7.156 1.719 1.00 0.00 H new ATOM 318 N SER A 23 5.175 9.851 0.879 1.00 0.00 N ATOM 319 CA SER A 23 4.606 11.077 1.399 1.00 0.00 C ATOM 320 C SER A 23 3.679 11.724 0.374 1.00 0.00 C ATOM 321 O SER A 23 2.546 12.080 0.690 1.00 0.00 O ATOM 322 CB SER A 23 5.731 12.037 1.797 1.00 0.00 C ATOM 323 OG SER A 23 5.329 13.390 1.652 1.00 0.00 O ATOM 0 H SER A 23 6.190 9.869 0.783 1.00 0.00 H new ATOM 0 HA SER A 23 4.011 10.843 2.282 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.022 11.851 2.831 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.609 11.848 1.179 1.00 0.00 H new ATOM 0 HG SER A 23 6.066 13.980 1.915 1.00 0.00 H new ATOM 329 N PHE A 24 4.167 11.875 -0.855 1.00 0.00 N ATOM 330 CA PHE A 24 3.373 12.480 -1.920 1.00 0.00 C ATOM 331 C PHE A 24 2.697 11.423 -2.793 1.00 0.00 C ATOM 332 O PHE A 24 1.473 11.317 -2.813 1.00 0.00 O ATOM 333 CB PHE A 24 4.253 13.386 -2.783 1.00 0.00 C ATOM 334 CG PHE A 24 3.551 13.939 -3.991 1.00 0.00 C ATOM 335 CD1 PHE A 24 2.510 14.842 -3.852 1.00 0.00 C ATOM 336 CD2 PHE A 24 3.933 13.552 -5.265 1.00 0.00 C ATOM 337 CE1 PHE A 24 1.862 15.349 -4.963 1.00 0.00 C ATOM 338 CE2 PHE A 24 3.290 14.055 -6.380 1.00 0.00 C ATOM 339 CZ PHE A 24 2.253 14.955 -6.228 1.00 0.00 C ATOM 0 H PHE A 24 5.104 11.588 -1.137 1.00 0.00 H new ATOM 0 HA PHE A 24 2.589 13.075 -1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.614 14.214 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.128 12.824 -3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.201 15.153 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.743 12.849 -5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.051 16.052 -4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.597 13.745 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.748 15.350 -7.097 1.00 0.00 H new ATOM 349 N ASP A 25 3.497 10.646 -3.516 1.00 0.00 N ATOM 350 CA ASP A 25 2.956 9.616 -4.394 1.00 0.00 C ATOM 351 C ASP A 25 3.703 8.295 -4.232 1.00 0.00 C ATOM 352 O ASP A 25 4.793 8.114 -4.773 1.00 0.00 O ATOM 353 CB ASP A 25 3.020 10.075 -5.852 1.00 0.00 C ATOM 354 CG ASP A 25 2.215 9.180 -6.772 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.744 8.121 -6.305 1.00 0.00 O ATOM 356 OD2 ASP A 25 2.052 9.538 -7.957 1.00 0.00 O ATOM 0 H ASP A 25 4.515 10.709 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 25 1.916 9.453 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.648 11.097 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.059 10.090 -6.181 1.00 0.00 H new ATOM 361 N HIS A 26 3.103 7.373 -3.485 1.00 0.00 N ATOM 362 CA HIS A 26 3.703 6.064 -3.249 1.00 0.00 C ATOM 363 C HIS A 26 3.683 5.208 -4.517 1.00 0.00 C ATOM 364 O HIS A 26 4.330 4.169 -4.574 1.00 0.00 O ATOM 365 CB HIS A 26 2.974 5.345 -2.103 1.00 0.00 C ATOM 366 CG HIS A 26 3.504 3.986 -1.773 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.443 2.926 -2.642 1.00 0.00 N ATOM 368 CD2 HIS A 26 4.068 3.508 -0.638 1.00 0.00 C ATOM 369 CE1 HIS A 26 3.938 1.849 -2.059 1.00 0.00 C ATOM 370 NE2 HIS A 26 4.327 2.176 -0.844 1.00 0.00 N ATOM 0 H HIS A 26 2.199 7.509 -3.032 1.00 0.00 H new ATOM 0 HA HIS A 26 4.745 6.215 -2.965 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.030 5.967 -1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.919 5.254 -2.363 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.073 2.964 -3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.275 4.070 0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.011 0.867 -2.503 1.00 0.00 H new ATOM 379 N LYS A 27 2.973 5.657 -5.558 1.00 0.00 N ATOM 380 CA LYS A 27 2.888 4.901 -6.802 1.00 0.00 C ATOM 381 C LYS A 27 4.261 4.386 -7.221 1.00 0.00 C ATOM 382 O LYS A 27 4.473 3.181 -7.341 1.00 0.00 O ATOM 383 CB LYS A 27 2.298 5.771 -7.906 1.00 0.00 C ATOM 384 CG LYS A 27 0.783 5.780 -7.932 1.00 0.00 C ATOM 385 CD LYS A 27 0.266 4.610 -8.736 1.00 0.00 C ATOM 386 CE LYS A 27 0.129 4.967 -10.207 1.00 0.00 C ATOM 387 NZ LYS A 27 -0.971 5.941 -10.441 1.00 0.00 N ATOM 0 H LYS A 27 2.454 6.535 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 27 2.236 4.044 -6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.656 6.793 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.667 5.419 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.395 5.731 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.425 6.714 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.944 3.763 -8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.702 4.296 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.068 5.386 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.059 4.062 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.294 5.870 -11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.763 5.730 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.626 6.905 -10.258 1.00 0.00 H new ATOM 401 N LYS A 28 5.191 5.302 -7.434 1.00 0.00 N ATOM 402 CA LYS A 28 6.543 4.919 -7.798 1.00 0.00 C ATOM 403 C LYS A 28 7.132 4.069 -6.686 1.00 0.00 C ATOM 404 O LYS A 28 7.811 3.072 -6.930 1.00 0.00 O ATOM 405 CB LYS A 28 7.402 6.162 -8.000 1.00 0.00 C ATOM 406 CG LYS A 28 6.956 7.033 -9.162 1.00 0.00 C ATOM 407 CD LYS A 28 7.043 6.287 -10.484 1.00 0.00 C ATOM 408 CE LYS A 28 8.455 5.793 -10.753 1.00 0.00 C ATOM 409 NZ LYS A 28 8.549 5.049 -12.039 1.00 0.00 N ATOM 0 H LYS A 28 5.036 6.308 -7.362 1.00 0.00 H new ATOM 0 HA LYS A 28 6.521 4.351 -8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.386 6.756 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.435 5.856 -8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.931 7.364 -8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.577 7.928 -9.207 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.357 5.440 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.725 6.943 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.138 6.642 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.775 5.147 -9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.547 4.966 -12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.142 4.099 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.024 5.562 -12.776 1.00 0.00 H new ATOM 423 N PHE A 29 6.851 4.488 -5.458 1.00 0.00 N ATOM 424 CA PHE A 29 7.316 3.794 -4.272 1.00 0.00 C ATOM 425 C PHE A 29 6.831 2.340 -4.276 1.00 0.00 C ATOM 426 O PHE A 29 7.478 1.459 -3.708 1.00 0.00 O ATOM 427 CB PHE A 29 6.838 4.553 -3.028 1.00 0.00 C ATOM 428 CG PHE A 29 7.363 4.008 -1.740 1.00 0.00 C ATOM 429 CD1 PHE A 29 7.007 2.748 -1.312 1.00 0.00 C ATOM 430 CD2 PHE A 29 8.217 4.765 -0.958 1.00 0.00 C ATOM 431 CE1 PHE A 29 7.498 2.246 -0.123 1.00 0.00 C ATOM 432 CE2 PHE A 29 8.710 4.272 0.227 1.00 0.00 C ATOM 433 CZ PHE A 29 8.349 3.011 0.644 1.00 0.00 C ATOM 0 H PHE A 29 6.294 5.319 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 29 8.406 3.766 -4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.136 5.598 -3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.749 4.534 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.338 2.148 -1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.500 5.756 -1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.216 1.256 0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.378 4.872 0.828 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.734 2.620 1.575 1.00 0.00 H new ATOM 443 N PHE A 30 5.689 2.099 -4.921 1.00 0.00 N ATOM 444 CA PHE A 30 5.127 0.750 -5.035 1.00 0.00 C ATOM 445 C PHE A 30 6.070 -0.126 -5.844 1.00 0.00 C ATOM 446 O PHE A 30 6.148 -1.338 -5.642 1.00 0.00 O ATOM 447 CB PHE A 30 3.763 0.803 -5.725 1.00 0.00 C ATOM 448 CG PHE A 30 2.712 -0.037 -5.057 1.00 0.00 C ATOM 449 CD1 PHE A 30 1.904 0.486 -4.058 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.529 -1.353 -5.433 1.00 0.00 C ATOM 451 CE1 PHE A 30 0.940 -0.289 -3.450 1.00 0.00 C ATOM 452 CE2 PHE A 30 1.564 -2.131 -4.828 1.00 0.00 C ATOM 453 CZ PHE A 30 0.770 -1.601 -3.835 1.00 0.00 C ATOM 0 H PHE A 30 5.132 2.823 -5.375 1.00 0.00 H new ATOM 0 HA PHE A 30 5.004 0.332 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.422 1.838 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.876 0.473 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.032 1.514 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.148 -1.778 -6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.319 0.131 -2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.431 -3.158 -5.134 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.017 -2.212 -3.360 1.00 0.00 H new ATOM 463 N GLN A 31 6.784 0.509 -6.759 1.00 0.00 N ATOM 464 CA GLN A 31 7.746 -0.176 -7.601 1.00 0.00 C ATOM 465 C GLN A 31 9.062 -0.370 -6.853 1.00 0.00 C ATOM 466 O GLN A 31 9.697 -1.420 -6.946 1.00 0.00 O ATOM 467 CB GLN A 31 7.971 0.637 -8.877 1.00 0.00 C ATOM 468 CG GLN A 31 6.686 1.171 -9.491 1.00 0.00 C ATOM 469 CD GLN A 31 6.921 1.888 -10.807 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.860 1.571 -11.539 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.068 2.856 -11.115 1.00 0.00 N ATOM 0 H GLN A 31 6.712 1.511 -6.937 1.00 0.00 H new ATOM 0 HA GLN A 31 7.358 -1.159 -7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.632 1.474 -8.653 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.483 0.013 -9.610 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.993 0.345 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.209 1.855 -8.789 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.305 3.085 -10.478 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.175 3.372 -11.988 1.00 0.00 H new ATOM 480 N MET A 32 9.460 0.660 -6.112 1.00 0.00 N ATOM 481 CA MET A 32 10.695 0.629 -5.333 1.00 0.00 C ATOM 482 C MET A 32 10.554 -0.277 -4.111 1.00 0.00 C ATOM 483 O MET A 32 11.497 -0.969 -3.731 1.00 0.00 O ATOM 484 CB MET A 32 11.075 2.049 -4.915 1.00 0.00 C ATOM 485 CG MET A 32 10.956 3.041 -6.060 1.00 0.00 C ATOM 486 SD MET A 32 11.526 4.698 -5.643 1.00 0.00 S ATOM 487 CE MET A 32 13.249 4.380 -5.273 1.00 0.00 C ATOM 0 H MET A 32 8.940 1.534 -6.034 1.00 0.00 H new ATOM 0 HA MET A 32 11.489 0.217 -5.955 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.433 2.367 -4.094 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.098 2.053 -4.539 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.530 2.672 -6.910 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.914 3.093 -6.377 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.727 5.303 -4.945 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.319 3.634 -4.482 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.751 4.009 -6.167 1.00 0.00 H new ATOM 497 N VAL A 33 9.371 -0.263 -3.501 1.00 0.00 N ATOM 498 CA VAL A 33 9.095 -1.094 -2.327 1.00 0.00 C ATOM 499 C VAL A 33 9.124 -2.574 -2.687 1.00 0.00 C ATOM 500 O VAL A 33 9.387 -3.430 -1.842 1.00 0.00 O ATOM 501 CB VAL A 33 7.717 -0.758 -1.729 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.626 -1.020 -2.744 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.464 -1.556 -0.473 1.00 0.00 C ATOM 0 H VAL A 33 8.586 0.315 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 33 9.873 -0.884 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 33 7.709 0.300 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.657 -0.778 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.792 -0.400 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.642 -2.071 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.484 -1.300 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.494 -2.620 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.231 -1.325 0.266 1.00 0.00 H new ATOM 513 N GLY A 34 8.873 -2.865 -3.952 1.00 0.00 N ATOM 514 CA GLY A 34 8.886 -4.241 -4.413 1.00 0.00 C ATOM 515 C GLY A 34 7.545 -4.930 -4.264 1.00 0.00 C ATOM 516 O GLY A 34 7.484 -6.145 -4.076 1.00 0.00 O ATOM 0 H GLY A 34 8.660 -2.174 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.185 -4.264 -5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.638 -4.798 -3.854 1.00 0.00 H new ATOM 520 N LEU A 35 6.465 -4.159 -4.350 1.00 0.00 N ATOM 521 CA LEU A 35 5.122 -4.715 -4.229 1.00 0.00 C ATOM 522 C LEU A 35 4.771 -5.512 -5.472 1.00 0.00 C ATOM 523 O LEU A 35 4.014 -6.480 -5.412 1.00 0.00 O ATOM 524 CB LEU A 35 4.102 -3.600 -4.013 1.00 0.00 C ATOM 525 CG LEU A 35 3.840 -3.247 -2.550 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.608 -1.754 -2.392 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.641 -4.024 -2.037 1.00 0.00 C ATOM 0 H LEU A 35 6.493 -3.151 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 35 5.098 -5.381 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.447 -2.706 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.160 -3.894 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 35 4.717 -3.520 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.423 -1.524 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.489 -1.211 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.745 -1.455 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.460 -3.767 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.762 -3.771 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.838 -5.093 -2.119 1.00 0.00 H new ATOM 539 N LYS A 36 5.329 -5.098 -6.601 1.00 0.00 N ATOM 540 CA LYS A 36 5.092 -5.780 -7.856 1.00 0.00 C ATOM 541 C LYS A 36 6.077 -6.944 -8.034 1.00 0.00 C ATOM 542 O LYS A 36 6.102 -7.587 -9.084 1.00 0.00 O ATOM 543 CB LYS A 36 5.251 -4.796 -9.008 1.00 0.00 C ATOM 544 CG LYS A 36 4.398 -3.538 -8.873 1.00 0.00 C ATOM 545 CD LYS A 36 5.244 -2.265 -8.906 1.00 0.00 C ATOM 546 CE LYS A 36 6.305 -2.315 -10.000 1.00 0.00 C ATOM 547 NZ LYS A 36 7.638 -2.715 -9.468 1.00 0.00 N ATOM 0 H LYS A 36 5.949 -4.291 -6.669 1.00 0.00 H new ATOM 0 HA LYS A 36 4.078 -6.180 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.299 -4.506 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.993 -5.299 -9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.666 -3.508 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.839 -3.578 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.597 -1.403 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.726 -2.125 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.997 -3.020 -10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.383 -1.337 -10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.310 -1.930 -9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.553 -2.946 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.983 -3.549 -9.986 1.00 0.00 H new ATOM 561 N LYS A 37 6.888 -7.211 -7.003 1.00 0.00 N ATOM 562 CA LYS A 37 7.877 -8.279 -7.060 1.00 0.00 C ATOM 563 C LYS A 37 7.283 -9.576 -7.596 1.00 0.00 C ATOM 564 O LYS A 37 7.907 -10.261 -8.406 1.00 0.00 O ATOM 565 CB LYS A 37 8.492 -8.509 -5.675 1.00 0.00 C ATOM 566 CG LYS A 37 9.600 -9.548 -5.671 1.00 0.00 C ATOM 567 CD LYS A 37 9.972 -9.964 -4.256 1.00 0.00 C ATOM 568 CE LYS A 37 11.179 -10.887 -4.246 1.00 0.00 C ATOM 569 NZ LYS A 37 11.567 -11.277 -2.862 1.00 0.00 N ATOM 0 H LYS A 37 6.874 -6.698 -6.121 1.00 0.00 H new ATOM 0 HA LYS A 37 8.659 -7.965 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.888 -7.565 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.708 -8.822 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.281 -10.424 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.479 -9.146 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.186 -9.077 -3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.125 -10.466 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.957 -11.782 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.019 -10.392 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.394 -11.907 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.804 -10.425 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.774 -11.772 -2.406 1.00 0.00 H new ATOM 583 N LYS A 38 6.077 -9.916 -7.152 1.00 0.00 N ATOM 584 CA LYS A 38 5.429 -11.141 -7.603 1.00 0.00 C ATOM 585 C LYS A 38 4.013 -10.871 -8.121 1.00 0.00 C ATOM 586 O LYS A 38 3.837 -10.518 -9.286 1.00 0.00 O ATOM 587 CB LYS A 38 5.411 -12.177 -6.477 1.00 0.00 C ATOM 588 CG LYS A 38 6.797 -12.609 -6.030 1.00 0.00 C ATOM 589 CD LYS A 38 6.715 -13.661 -4.939 1.00 0.00 C ATOM 590 CE LYS A 38 7.716 -13.393 -3.827 1.00 0.00 C ATOM 591 NZ LYS A 38 7.402 -12.138 -3.088 1.00 0.00 N ATOM 0 H LYS A 38 5.534 -9.366 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 38 6.008 -11.541 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.874 -11.764 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.855 -13.054 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.350 -13.006 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.351 -11.744 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.707 -13.679 -4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.901 -14.646 -5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.720 -14.232 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.718 -13.324 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.034 -12.052 -2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.539 -11.321 -3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.414 -12.164 -2.764 1.00 0.00 H new ATOM 605 N SER A 39 3.005 -11.034 -7.262 1.00 0.00 N ATOM 606 CA SER A 39 1.624 -10.802 -7.671 1.00 0.00 C ATOM 607 C SER A 39 0.800 -10.220 -6.527 1.00 0.00 C ATOM 608 O SER A 39 1.313 -9.993 -5.432 1.00 0.00 O ATOM 609 CB SER A 39 0.988 -12.106 -8.158 1.00 0.00 C ATOM 610 OG SER A 39 1.688 -12.631 -9.273 1.00 0.00 O ATOM 0 H SER A 39 3.119 -11.322 -6.290 1.00 0.00 H new ATOM 0 HA SER A 39 1.635 -10.080 -8.488 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.986 -12.837 -7.349 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.052 -11.927 -8.429 1.00 0.00 H new ATOM 0 HG SER A 39 1.262 -13.465 -9.563 1.00 0.00 H new ATOM 616 N ALA A 40 -0.480 -9.983 -6.790 1.00 0.00 N ATOM 617 CA ALA A 40 -1.378 -9.432 -5.785 1.00 0.00 C ATOM 618 C ALA A 40 -1.480 -10.356 -4.573 1.00 0.00 C ATOM 619 O ALA A 40 -1.693 -9.905 -3.448 1.00 0.00 O ATOM 620 CB ALA A 40 -2.750 -9.204 -6.393 1.00 0.00 C ATOM 0 H ALA A 40 -0.919 -10.165 -7.693 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.973 -8.479 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.419 -8.792 -5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.668 -8.505 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.150 -10.152 -6.754 1.00 0.00 H new ATOM 626 N ASP A 41 -1.322 -11.652 -4.810 1.00 0.00 N ATOM 627 CA ASP A 41 -1.406 -12.643 -3.742 1.00 0.00 C ATOM 628 C ASP A 41 -0.396 -12.354 -2.634 1.00 0.00 C ATOM 629 O ASP A 41 -0.752 -12.299 -1.456 1.00 0.00 O ATOM 630 CB ASP A 41 -1.171 -14.044 -4.306 1.00 0.00 C ATOM 631 CG ASP A 41 -2.127 -14.381 -5.434 1.00 0.00 C ATOM 632 OD1 ASP A 41 -3.227 -14.895 -5.145 1.00 0.00 O ATOM 633 OD2 ASP A 41 -1.775 -14.129 -6.605 1.00 0.00 O ATOM 0 H ASP A 41 -1.135 -12.043 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.406 -12.588 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.146 -14.120 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.282 -14.778 -3.508 1.00 0.00 H new ATOM 638 N ASP A 42 0.863 -12.172 -3.017 1.00 0.00 N ATOM 639 CA ASP A 42 1.927 -11.900 -2.055 1.00 0.00 C ATOM 640 C ASP A 42 1.688 -10.589 -1.311 1.00 0.00 C ATOM 641 O ASP A 42 1.697 -10.552 -0.081 1.00 0.00 O ATOM 642 CB ASP A 42 3.277 -11.857 -2.771 1.00 0.00 C ATOM 643 CG ASP A 42 3.589 -13.158 -3.486 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.180 -13.305 -4.658 1.00 0.00 O ATOM 645 OD2 ASP A 42 4.242 -14.030 -2.875 1.00 0.00 O ATOM 0 H ASP A 42 1.173 -12.208 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 42 1.930 -12.705 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.278 -11.039 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.064 -11.645 -2.047 1.00 0.00 H new ATOM 650 N VAL A 43 1.472 -9.516 -2.062 1.00 0.00 N ATOM 651 CA VAL A 43 1.235 -8.203 -1.472 1.00 0.00 C ATOM 652 C VAL A 43 -0.004 -8.221 -0.574 1.00 0.00 C ATOM 653 O VAL A 43 -0.020 -7.612 0.493 1.00 0.00 O ATOM 654 CB VAL A 43 1.054 -7.131 -2.567 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.271 -7.088 -3.484 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.204 -7.403 -3.369 1.00 0.00 C ATOM 0 H VAL A 43 1.456 -9.529 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 43 2.109 -7.955 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 43 0.955 -6.159 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.123 -6.326 -4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.159 -6.848 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.402 -8.060 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.318 -6.638 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.130 -8.383 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.069 -7.383 -2.706 1.00 0.00 H new ATOM 666 N LYS A 44 -1.023 -8.953 -1.008 1.00 0.00 N ATOM 667 CA LYS A 44 -2.282 -9.068 -0.270 1.00 0.00 C ATOM 668 C LYS A 44 -2.060 -9.457 1.191 1.00 0.00 C ATOM 669 O LYS A 44 -2.857 -9.109 2.059 1.00 0.00 O ATOM 670 CB LYS A 44 -3.199 -10.093 -0.943 1.00 0.00 C ATOM 671 CG LYS A 44 -4.059 -9.515 -2.058 1.00 0.00 C ATOM 672 CD LYS A 44 -4.684 -10.615 -2.901 1.00 0.00 C ATOM 673 CE LYS A 44 -5.347 -10.058 -4.150 1.00 0.00 C ATOM 674 NZ LYS A 44 -5.801 -11.139 -5.068 1.00 0.00 N ATOM 0 H LYS A 44 -1.003 -9.484 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.754 -8.086 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.589 -10.900 -1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.849 -10.535 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.844 -8.892 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.451 -8.869 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.917 -11.335 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.422 -11.154 -2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.200 -9.443 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.646 -9.408 -4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.248 -10.717 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.984 -11.711 -5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.489 -11.745 -4.577 1.00 0.00 H new ATOM 688 N LYS A 45 -0.990 -10.189 1.458 1.00 0.00 N ATOM 689 CA LYS A 45 -0.698 -10.652 2.810 1.00 0.00 C ATOM 690 C LYS A 45 -0.592 -9.485 3.776 1.00 0.00 C ATOM 691 O LYS A 45 -1.166 -9.520 4.865 1.00 0.00 O ATOM 692 CB LYS A 45 0.591 -11.470 2.828 1.00 0.00 C ATOM 693 CG LYS A 45 0.355 -12.966 2.964 1.00 0.00 C ATOM 694 CD LYS A 45 -0.466 -13.509 1.806 1.00 0.00 C ATOM 695 CE LYS A 45 -0.910 -14.940 2.061 1.00 0.00 C ATOM 696 NZ LYS A 45 0.245 -15.849 2.304 1.00 0.00 N ATOM 0 H LYS A 45 -0.307 -10.477 0.757 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.523 -11.288 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.146 -11.279 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.216 -11.132 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.313 -13.484 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.159 -13.170 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.341 -12.878 1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.123 -13.467 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.578 -14.964 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.481 -15.300 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.104 -16.811 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.861 -15.860 1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.785 -15.512 3.126 1.00 0.00 H new ATOM 710 N VAL A 46 0.135 -8.450 3.380 1.00 0.00 N ATOM 711 CA VAL A 46 0.286 -7.280 4.228 1.00 0.00 C ATOM 712 C VAL A 46 -1.085 -6.742 4.627 1.00 0.00 C ATOM 713 O VAL A 46 -1.236 -6.100 5.665 1.00 0.00 O ATOM 714 CB VAL A 46 1.121 -6.172 3.543 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.321 -5.473 2.456 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.605 -5.170 4.576 1.00 0.00 C ATOM 0 H VAL A 46 0.624 -8.397 2.486 1.00 0.00 H new ATOM 0 HA VAL A 46 0.827 -7.588 5.123 1.00 0.00 H new ATOM 0 HB VAL A 46 1.985 -6.639 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.934 -4.700 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.022 -6.199 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.567 -5.018 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.192 -4.394 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.747 -4.716 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.224 -5.679 5.315 1.00 0.00 H new ATOM 726 N PHE A 47 -2.086 -7.017 3.787 1.00 0.00 N ATOM 727 CA PHE A 47 -3.447 -6.569 4.043 1.00 0.00 C ATOM 728 C PHE A 47 -3.861 -6.852 5.483 1.00 0.00 C ATOM 729 O PHE A 47 -4.499 -6.028 6.123 1.00 0.00 O ATOM 730 CB PHE A 47 -4.426 -7.251 3.102 1.00 0.00 C ATOM 731 CG PHE A 47 -5.824 -6.706 3.180 1.00 0.00 C ATOM 732 CD1 PHE A 47 -6.047 -5.346 3.328 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.915 -7.556 3.104 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.333 -4.846 3.398 1.00 0.00 C ATOM 735 CE2 PHE A 47 -8.202 -7.062 3.173 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.412 -5.704 3.321 1.00 0.00 C ATOM 0 H PHE A 47 -1.974 -7.549 2.924 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.469 -5.493 3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.063 -7.149 2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.449 -8.317 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.207 -4.670 3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.757 -8.618 2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.494 -3.784 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.044 -7.736 3.111 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.418 -5.315 3.376 1.00 0.00 H new ATOM 746 N HIS A 48 -3.515 -8.036 5.977 1.00 0.00 N ATOM 747 CA HIS A 48 -3.840 -8.412 7.347 1.00 0.00 C ATOM 748 C HIS A 48 -2.928 -7.669 8.306 1.00 0.00 C ATOM 749 O HIS A 48 -3.337 -7.275 9.398 1.00 0.00 O ATOM 750 CB HIS A 48 -3.694 -9.923 7.542 1.00 0.00 C ATOM 751 CG HIS A 48 -4.553 -10.732 6.620 1.00 0.00 C ATOM 752 ND1 HIS A 48 -5.562 -11.561 7.063 1.00 0.00 N ATOM 753 CD2 HIS A 48 -4.548 -10.837 5.270 1.00 0.00 C ATOM 754 CE1 HIS A 48 -6.140 -12.141 6.026 1.00 0.00 C ATOM 755 NE2 HIS A 48 -5.544 -11.718 4.926 1.00 0.00 N ATOM 0 H HIS A 48 -3.011 -8.750 5.450 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.876 -8.142 7.551 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.651 -10.201 7.391 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.945 -10.174 8.573 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.884 -10.323 4.590 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.960 -12.842 6.070 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -5.784 -12.000 3.976 1.00 0.00 H new ATOM 764 N ILE A 49 -1.683 -7.482 7.884 1.00 0.00 N ATOM 765 CA ILE A 49 -0.712 -6.759 8.684 1.00 0.00 C ATOM 766 C ILE A 49 -1.208 -5.346 8.934 1.00 0.00 C ATOM 767 O ILE A 49 -1.250 -4.878 10.072 1.00 0.00 O ATOM 768 CB ILE A 49 0.650 -6.688 7.977 1.00 0.00 C ATOM 769 CG1 ILE A 49 1.105 -8.082 7.545 1.00 0.00 C ATOM 770 CG2 ILE A 49 1.688 -6.043 8.881 1.00 0.00 C ATOM 771 CD1 ILE A 49 1.167 -9.086 8.669 1.00 0.00 C ATOM 0 H ILE A 49 -1.326 -7.823 6.991 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.590 -7.292 9.627 1.00 0.00 H new ATOM 0 HB ILE A 49 0.542 -6.071 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.425 -8.453 6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.091 -8.005 7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.646 -6.002 8.363 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.370 -5.032 9.137 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.793 -6.632 9.792 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.498 -10.049 8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.870 -8.740 9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.178 -9.196 9.114 1.00 0.00 H new ATOM 783 N LEU A 50 -1.583 -4.670 7.852 1.00 0.00 N ATOM 784 CA LEU A 50 -2.093 -3.320 7.932 1.00 0.00 C ATOM 785 C LEU A 50 -3.546 -3.330 8.392 1.00 0.00 C ATOM 786 O LEU A 50 -3.953 -2.506 9.206 1.00 0.00 O ATOM 787 CB LEU A 50 -1.959 -2.652 6.567 1.00 0.00 C ATOM 788 CG LEU A 50 -2.790 -3.279 5.446 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.163 -2.630 5.363 1.00 0.00 C ATOM 790 CD2 LEU A 50 -2.057 -3.155 4.120 1.00 0.00 C ATOM 0 H LEU A 50 -1.540 -5.046 6.905 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.515 -2.754 8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.243 -1.604 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.910 -2.672 6.273 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.931 -4.336 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.736 -3.092 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.688 -2.768 6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.050 -1.565 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.657 -3.604 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.889 -2.102 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.098 -3.670 4.185 1.00 0.00 H new ATOM 802 N ASP A 51 -4.322 -4.273 7.866 1.00 0.00 N ATOM 803 CA ASP A 51 -5.727 -4.401 8.232 1.00 0.00 C ATOM 804 C ASP A 51 -5.970 -5.718 8.965 1.00 0.00 C ATOM 805 O ASP A 51 -6.441 -6.694 8.381 1.00 0.00 O ATOM 806 CB ASP A 51 -6.619 -4.316 6.994 1.00 0.00 C ATOM 807 CG ASP A 51 -7.283 -2.960 6.851 1.00 0.00 C ATOM 808 OD1 ASP A 51 -8.368 -2.765 7.437 1.00 0.00 O ATOM 809 OD2 ASP A 51 -6.720 -2.092 6.152 1.00 0.00 O ATOM 0 H ASP A 51 -4.000 -4.960 7.184 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.981 -3.576 8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.022 -4.521 6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.386 -5.089 7.048 1.00 0.00 H new ATOM 814 N LYS A 52 -5.640 -5.729 10.250 1.00 0.00 N ATOM 815 CA LYS A 52 -5.799 -6.910 11.089 1.00 0.00 C ATOM 816 C LYS A 52 -7.166 -7.554 10.905 1.00 0.00 C ATOM 817 O LYS A 52 -7.273 -8.767 10.734 1.00 0.00 O ATOM 818 CB LYS A 52 -5.610 -6.516 12.549 1.00 0.00 C ATOM 819 CG LYS A 52 -6.584 -5.443 13.008 1.00 0.00 C ATOM 820 CD LYS A 52 -6.333 -5.035 14.442 1.00 0.00 C ATOM 821 CE LYS A 52 -6.940 -3.673 14.747 1.00 0.00 C ATOM 822 NZ LYS A 52 -6.535 -3.169 16.088 1.00 0.00 N ATOM 0 H LYS A 52 -5.255 -4.921 10.739 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.046 -7.641 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.730 -7.399 13.176 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.590 -6.159 12.694 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.495 -4.570 12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.605 -5.812 12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.756 -5.782 15.114 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.260 -5.007 14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.631 -2.959 13.983 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.027 -3.741 14.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.970 -2.239 16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.852 -3.836 16.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.500 -3.079 16.127 1.00 0.00 H new ATOM 836 N ASP A 53 -8.209 -6.737 10.945 1.00 0.00 N ATOM 837 CA ASP A 53 -9.567 -7.229 10.790 1.00 0.00 C ATOM 838 C ASP A 53 -9.804 -7.722 9.374 1.00 0.00 C ATOM 839 O ASP A 53 -10.779 -8.427 9.112 1.00 0.00 O ATOM 840 CB ASP A 53 -10.573 -6.131 11.138 1.00 0.00 C ATOM 841 CG ASP A 53 -12.009 -6.593 10.990 1.00 0.00 C ATOM 842 OD1 ASP A 53 -12.563 -7.132 11.971 1.00 0.00 O ATOM 843 OD2 ASP A 53 -12.580 -6.414 9.893 1.00 0.00 O ATOM 0 H ASP A 53 -8.139 -5.729 11.084 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.705 -8.066 11.474 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.405 -5.800 12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.403 -5.269 10.493 1.00 0.00 H new ATOM 848 N LYS A 54 -8.908 -7.354 8.454 1.00 0.00 N ATOM 849 CA LYS A 54 -9.041 -7.745 7.057 1.00 0.00 C ATOM 850 C LYS A 54 -10.481 -7.563 6.606 1.00 0.00 C ATOM 851 O LYS A 54 -11.002 -8.327 5.796 1.00 0.00 O ATOM 852 CB LYS A 54 -8.591 -9.180 6.845 1.00 0.00 C ATOM 853 CG LYS A 54 -8.706 -9.630 5.400 1.00 0.00 C ATOM 854 CD LYS A 54 -9.700 -10.772 5.247 1.00 0.00 C ATOM 855 CE LYS A 54 -9.899 -11.143 3.786 1.00 0.00 C ATOM 856 NZ LYS A 54 -8.624 -11.562 3.141 1.00 0.00 N ATOM 0 H LYS A 54 -8.085 -6.786 8.656 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.397 -7.104 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.556 -9.282 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.189 -9.839 7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.018 -8.789 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.728 -9.947 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.345 -11.642 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.656 -10.485 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.626 -11.952 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.315 -10.291 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.824 -11.950 2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.994 -10.740 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.163 -12.289 3.724 1.00 0.00 H new ATOM 870 N SER A 55 -11.116 -6.533 7.167 1.00 0.00 N ATOM 871 CA SER A 55 -12.509 -6.205 6.865 1.00 0.00 C ATOM 872 C SER A 55 -12.865 -6.452 5.393 1.00 0.00 C ATOM 873 O SER A 55 -14.022 -6.720 5.068 1.00 0.00 O ATOM 874 CB SER A 55 -12.796 -4.747 7.227 1.00 0.00 C ATOM 875 OG SER A 55 -14.127 -4.391 6.896 1.00 0.00 O ATOM 0 H SER A 55 -10.680 -5.904 7.842 1.00 0.00 H new ATOM 0 HA SER A 55 -13.131 -6.868 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.630 -4.595 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.100 -4.095 6.700 1.00 0.00 H new ATOM 0 HG SER A 55 -14.285 -3.455 7.139 1.00 0.00 H new ATOM 881 N GLY A 56 -11.873 -6.359 4.509 1.00 0.00 N ATOM 882 CA GLY A 56 -12.113 -6.580 3.095 1.00 0.00 C ATOM 883 C GLY A 56 -12.156 -5.287 2.305 1.00 0.00 C ATOM 884 O GLY A 56 -12.128 -5.303 1.075 1.00 0.00 O ATOM 0 H GLY A 56 -10.907 -6.134 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.329 -7.222 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.056 -7.111 2.968 1.00 0.00 H new ATOM 888 N PHE A 57 -12.223 -4.164 3.012 1.00 0.00 N ATOM 889 CA PHE A 57 -12.245 -2.858 2.374 1.00 0.00 C ATOM 890 C PHE A 57 -11.804 -1.784 3.356 1.00 0.00 C ATOM 891 O PHE A 57 -12.334 -1.682 4.463 1.00 0.00 O ATOM 892 CB PHE A 57 -13.641 -2.530 1.836 1.00 0.00 C ATOM 893 CG PHE A 57 -14.115 -3.477 0.772 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.749 -4.662 1.112 1.00 0.00 C ATOM 895 CD2 PHE A 57 -13.926 -3.182 -0.568 1.00 0.00 C ATOM 896 CE1 PHE A 57 -15.186 -5.534 0.134 1.00 0.00 C ATOM 897 CE2 PHE A 57 -14.362 -4.051 -1.551 1.00 0.00 C ATOM 898 CZ PHE A 57 -14.993 -5.228 -1.200 1.00 0.00 C ATOM 0 H PHE A 57 -12.263 -4.135 4.031 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.551 -2.883 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.351 -2.541 2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.637 -1.517 1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.903 -4.906 2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.433 -2.263 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.678 -6.454 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.209 -3.809 -2.592 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.335 -5.908 -1.966 1.00 0.00 H new ATOM 908 N ILE A 58 -10.832 -0.990 2.944 1.00 0.00 N ATOM 909 CA ILE A 58 -10.323 0.087 3.777 1.00 0.00 C ATOM 910 C ILE A 58 -10.871 1.401 3.265 1.00 0.00 C ATOM 911 O ILE A 58 -11.012 1.600 2.064 1.00 0.00 O ATOM 912 CB ILE A 58 -8.782 0.130 3.810 1.00 0.00 C ATOM 913 CG1 ILE A 58 -8.186 -1.265 3.604 1.00 0.00 C ATOM 914 CG2 ILE A 58 -8.315 0.690 5.143 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.692 -1.255 3.368 1.00 0.00 C ATOM 0 H ILE A 58 -10.377 -1.071 2.034 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.653 -0.092 4.800 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.441 0.772 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.403 -1.877 4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.677 -1.739 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.226 0.719 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.708 1.699 5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.676 0.054 5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.339 -2.277 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.469 -0.670 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.191 -0.811 4.228 1.00 0.00 H new ATOM 927 N GLU A 59 -11.153 2.304 4.183 1.00 0.00 N ATOM 928 CA GLU A 59 -11.769 3.572 3.838 1.00 0.00 C ATOM 929 C GLU A 59 -10.779 4.714 3.840 1.00 0.00 C ATOM 930 O GLU A 59 -10.089 4.965 4.818 1.00 0.00 O ATOM 931 CB GLU A 59 -12.885 3.858 4.830 1.00 0.00 C ATOM 932 CG GLU A 59 -14.261 3.456 4.329 1.00 0.00 C ATOM 933 CD GLU A 59 -15.339 3.617 5.383 1.00 0.00 C ATOM 934 OE1 GLU A 59 -15.900 4.727 5.494 1.00 0.00 O ATOM 935 OE2 GLU A 59 -15.620 2.633 6.098 1.00 0.00 O ATOM 0 H GLU A 59 -10.965 2.183 5.178 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.162 3.492 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.677 3.329 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.889 4.923 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.517 4.060 3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.234 2.417 3.999 1.00 0.00 H new ATOM 942 N GLU A 60 -10.766 5.424 2.718 1.00 0.00 N ATOM 943 CA GLU A 60 -9.894 6.571 2.490 1.00 0.00 C ATOM 944 C GLU A 60 -9.638 7.369 3.764 1.00 0.00 C ATOM 945 O GLU A 60 -8.543 7.887 3.976 1.00 0.00 O ATOM 946 CB GLU A 60 -10.553 7.476 1.457 1.00 0.00 C ATOM 947 CG GLU A 60 -11.972 7.826 1.839 1.00 0.00 C ATOM 948 CD GLU A 60 -12.879 8.003 0.635 1.00 0.00 C ATOM 949 OE1 GLU A 60 -13.247 6.986 0.014 1.00 0.00 O ATOM 950 OE2 GLU A 60 -13.218 9.162 0.314 1.00 0.00 O ATOM 0 H GLU A 60 -11.373 5.215 1.925 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.930 6.201 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.970 8.391 1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.550 6.981 0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.375 7.041 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.969 8.745 2.424 1.00 0.00 H new ATOM 957 N ASP A 61 -10.647 7.450 4.615 1.00 0.00 N ATOM 958 CA ASP A 61 -10.529 8.203 5.852 1.00 0.00 C ATOM 959 C ASP A 61 -9.536 7.550 6.807 1.00 0.00 C ATOM 960 O ASP A 61 -8.626 8.204 7.315 1.00 0.00 O ATOM 961 CB ASP A 61 -11.896 8.335 6.525 1.00 0.00 C ATOM 962 CG ASP A 61 -11.823 9.068 7.849 1.00 0.00 C ATOM 963 OD1 ASP A 61 -11.916 10.314 7.843 1.00 0.00 O ATOM 964 OD2 ASP A 61 -11.677 8.397 8.892 1.00 0.00 O ATOM 0 H ASP A 61 -11.554 7.005 4.473 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.155 9.196 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.576 8.864 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.315 7.342 6.686 1.00 0.00 H new ATOM 969 N GLU A 62 -9.717 6.258 7.047 1.00 0.00 N ATOM 970 CA GLU A 62 -8.827 5.518 7.942 1.00 0.00 C ATOM 971 C GLU A 62 -7.634 4.963 7.170 1.00 0.00 C ATOM 972 O GLU A 62 -6.567 4.720 7.734 1.00 0.00 O ATOM 973 CB GLU A 62 -9.586 4.381 8.630 1.00 0.00 C ATOM 974 CG GLU A 62 -10.630 4.865 9.621 1.00 0.00 C ATOM 975 CD GLU A 62 -10.036 5.731 10.715 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.620 5.173 11.753 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.984 6.965 10.535 1.00 0.00 O ATOM 0 H GLU A 62 -10.467 5.700 6.639 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.459 6.204 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.073 3.768 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.873 3.740 9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.395 5.431 9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.125 4.005 10.072 1.00 0.00 H new ATOM 984 N LEU A 63 -7.835 4.774 5.874 1.00 0.00 N ATOM 985 CA LEU A 63 -6.821 4.266 4.983 1.00 0.00 C ATOM 986 C LEU A 63 -5.497 4.985 5.179 1.00 0.00 C ATOM 987 O LEU A 63 -4.463 4.362 5.407 1.00 0.00 O ATOM 988 CB LEU A 63 -7.327 4.434 3.561 1.00 0.00 C ATOM 989 CG LEU A 63 -7.849 3.152 2.911 1.00 0.00 C ATOM 990 CD1 LEU A 63 -8.759 3.470 1.733 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.678 2.300 2.473 1.00 0.00 C ATOM 0 H LEU A 63 -8.722 4.974 5.412 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.636 3.213 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.125 5.176 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.519 4.833 2.947 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.440 2.599 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.117 2.541 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.609 4.058 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.204 4.039 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.047 1.385 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.074 2.853 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.068 2.047 3.340 1.00 0.00 H new ATOM 1003 N GLY A 64 -5.549 6.303 5.118 1.00 0.00 N ATOM 1004 CA GLY A 64 -4.353 7.102 5.290 1.00 0.00 C ATOM 1005 C GLY A 64 -3.720 6.927 6.655 1.00 0.00 C ATOM 1006 O GLY A 64 -2.562 7.288 6.859 1.00 0.00 O ATOM 0 H GLY A 64 -6.401 6.839 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.628 6.833 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.600 8.153 5.141 1.00 0.00 H new ATOM 1010 N SER A 65 -4.479 6.373 7.592 1.00 0.00 N ATOM 1011 CA SER A 65 -3.978 6.145 8.941 1.00 0.00 C ATOM 1012 C SER A 65 -3.385 4.752 9.038 1.00 0.00 C ATOM 1013 O SER A 65 -2.233 4.570 9.436 1.00 0.00 O ATOM 1014 CB SER A 65 -5.113 6.287 9.955 1.00 0.00 C ATOM 1015 OG SER A 65 -4.635 6.146 11.281 1.00 0.00 O ATOM 0 H SER A 65 -5.443 6.074 7.443 1.00 0.00 H new ATOM 0 HA SER A 65 -3.208 6.885 9.161 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.589 7.261 9.839 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.876 5.534 9.759 1.00 0.00 H new ATOM 0 HG SER A 65 -5.381 6.243 11.910 1.00 0.00 H new ATOM 1021 N ILE A 66 -4.193 3.773 8.666 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.784 2.379 8.689 1.00 0.00 C ATOM 1023 C ILE A 66 -2.534 2.150 7.833 1.00 0.00 C ATOM 1024 O ILE A 66 -1.791 1.189 8.046 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.939 1.470 8.210 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.709 0.030 8.663 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -5.110 1.550 6.698 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -4.670 -0.121 10.170 1.00 0.00 C ATOM 0 H ILE A 66 -5.148 3.922 8.341 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.536 2.121 9.719 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.864 1.826 8.664 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.501 -0.602 8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.770 -0.331 8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.929 0.901 6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.334 2.577 6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.189 1.229 6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.504 -1.167 10.427 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.860 0.485 10.576 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.618 0.210 10.594 1.00 0.00 H new ATOM 1040 N LEU A 67 -2.308 3.037 6.861 1.00 0.00 N ATOM 1041 CA LEU A 67 -1.145 2.943 5.980 1.00 0.00 C ATOM 1042 C LEU A 67 0.133 2.725 6.781 1.00 0.00 C ATOM 1043 O LEU A 67 1.108 2.140 6.289 1.00 0.00 O ATOM 1044 CB LEU A 67 -1.042 4.220 5.153 1.00 0.00 C ATOM 1045 CG LEU A 67 -1.428 4.065 3.683 1.00 0.00 C ATOM 1046 CD1 LEU A 67 -0.382 3.249 2.953 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -2.797 3.413 3.550 1.00 0.00 C ATOM 0 H LEU A 67 -2.918 3.830 6.665 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.270 2.086 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.680 4.980 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.018 4.590 5.208 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.478 5.057 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.667 3.145 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.583 3.752 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.307 2.262 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.051 3.313 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.777 2.427 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.545 4.032 4.046 1.00 0.00 H new ATOM 1059 N LYS A 68 0.115 3.181 8.027 1.00 0.00 N ATOM 1060 CA LYS A 68 1.258 3.035 8.905 1.00 0.00 C ATOM 1061 C LYS A 68 1.751 1.594 8.924 1.00 0.00 C ATOM 1062 O LYS A 68 2.894 1.337 9.292 1.00 0.00 O ATOM 1063 CB LYS A 68 0.894 3.491 10.310 1.00 0.00 C ATOM 1064 CG LYS A 68 0.468 4.946 10.372 1.00 0.00 C ATOM 1065 CD LYS A 68 -0.358 5.231 11.612 1.00 0.00 C ATOM 1066 CE LYS A 68 -0.390 6.716 11.924 1.00 0.00 C ATOM 1067 NZ LYS A 68 0.841 7.162 12.633 1.00 0.00 N ATOM 0 H LYS A 68 -0.683 3.656 8.449 1.00 0.00 H new ATOM 0 HA LYS A 68 2.066 3.661 8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.086 2.866 10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.750 3.341 10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.351 5.585 10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.111 5.195 9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.375 4.866 11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.057 4.688 12.461 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.499 7.279 10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.263 6.939 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.779 8.182 12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.932 6.643 13.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.672 6.973 12.038 1.00 0.00 H new ATOM 1081 N GLY A 69 0.882 0.649 8.540 1.00 0.00 N ATOM 1082 CA GLY A 69 1.274 -0.756 8.496 1.00 0.00 C ATOM 1083 C GLY A 69 2.684 -0.930 7.960 1.00 0.00 C ATOM 1084 O GLY A 69 3.529 -1.549 8.606 1.00 0.00 O ATOM 0 H GLY A 69 -0.082 0.833 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.210 -1.183 9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.575 -1.309 7.868 1.00 0.00 H new ATOM 1088 N PHE A 70 2.932 -0.383 6.772 1.00 0.00 N ATOM 1089 CA PHE A 70 4.259 -0.444 6.184 1.00 0.00 C ATOM 1090 C PHE A 70 5.011 0.861 6.449 1.00 0.00 C ATOM 1091 O PHE A 70 6.174 0.856 6.853 1.00 0.00 O ATOM 1092 CB PHE A 70 4.217 -0.732 4.676 1.00 0.00 C ATOM 1093 CG PHE A 70 2.956 -0.337 3.962 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.782 -1.048 4.151 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.961 0.724 3.070 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.632 -0.701 3.465 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.816 1.072 2.378 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.650 0.358 2.577 1.00 0.00 C ATOM 0 H PHE A 70 2.236 0.102 6.206 1.00 0.00 H new ATOM 0 HA PHE A 70 4.785 -1.273 6.657 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.054 -0.216 4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.376 -1.800 4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.765 -1.880 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.870 1.285 2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.280 -1.258 3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.833 1.899 1.684 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.247 0.627 2.039 1.00 0.00 H new ATOM 1108 N SER A 71 4.304 1.973 6.254 1.00 0.00 N ATOM 1109 CA SER A 71 4.862 3.318 6.418 1.00 0.00 C ATOM 1110 C SER A 71 5.170 3.679 7.873 1.00 0.00 C ATOM 1111 O SER A 71 5.651 4.779 8.143 1.00 0.00 O ATOM 1112 CB SER A 71 3.916 4.357 5.819 1.00 0.00 C ATOM 1113 OG SER A 71 2.578 4.122 6.221 1.00 0.00 O ATOM 0 H SER A 71 3.323 1.968 5.976 1.00 0.00 H new ATOM 0 HA SER A 71 5.813 3.320 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.223 5.355 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.982 4.329 4.731 1.00 0.00 H new ATOM 0 HG SER A 71 2.191 3.410 5.669 1.00 0.00 H new ATOM 1119 N SER A 72 4.894 2.779 8.810 1.00 0.00 N ATOM 1120 CA SER A 72 5.153 3.058 10.224 1.00 0.00 C ATOM 1121 C SER A 72 6.549 3.648 10.425 1.00 0.00 C ATOM 1122 O SER A 72 6.794 4.361 11.397 1.00 0.00 O ATOM 1123 CB SER A 72 5.008 1.784 11.060 1.00 0.00 C ATOM 1124 OG SER A 72 5.554 1.961 12.356 1.00 0.00 O ATOM 0 H SER A 72 4.495 1.859 8.623 1.00 0.00 H new ATOM 0 HA SER A 72 4.416 3.790 10.555 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.955 1.515 11.139 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.512 0.957 10.559 1.00 0.00 H new ATOM 0 HG SER A 72 5.448 1.134 12.871 1.00 0.00 H new ATOM 1130 N ASP A 73 7.460 3.349 9.503 1.00 0.00 N ATOM 1131 CA ASP A 73 8.819 3.870 9.579 1.00 0.00 C ATOM 1132 C ASP A 73 8.975 5.125 8.720 1.00 0.00 C ATOM 1133 O ASP A 73 9.879 5.931 8.942 1.00 0.00 O ATOM 1134 CB ASP A 73 9.823 2.811 9.140 1.00 0.00 C ATOM 1135 CG ASP A 73 9.537 1.453 9.749 1.00 0.00 C ATOM 1136 OD1 ASP A 73 8.748 0.688 9.154 1.00 0.00 O ATOM 1137 OD2 ASP A 73 10.102 1.153 10.821 1.00 0.00 O ATOM 0 H ASP A 73 7.281 2.750 8.697 1.00 0.00 H new ATOM 0 HA ASP A 73 9.016 4.136 10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.808 2.729 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.827 3.128 9.422 1.00 0.00 H new ATOM 1142 N ALA A 74 8.089 5.285 7.737 1.00 0.00 N ATOM 1143 CA ALA A 74 8.128 6.444 6.847 1.00 0.00 C ATOM 1144 C ALA A 74 7.243 7.576 7.371 1.00 0.00 C ATOM 1145 O ALA A 74 7.708 8.437 8.118 1.00 0.00 O ATOM 1146 CB ALA A 74 7.709 6.046 5.438 1.00 0.00 C ATOM 0 H ALA A 74 7.336 4.627 7.537 1.00 0.00 H new ATOM 0 HA ALA A 74 9.154 6.810 6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.743 6.920 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.389 5.284 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.694 5.649 5.459 1.00 0.00 H new ATOM 1152 N ARG A 75 5.968 7.571 6.982 1.00 0.00 N ATOM 1153 CA ARG A 75 5.033 8.603 7.418 1.00 0.00 C ATOM 1154 C ARG A 75 3.586 8.129 7.291 1.00 0.00 C ATOM 1155 O ARG A 75 3.039 7.550 8.227 1.00 0.00 O ATOM 1156 CB ARG A 75 5.238 9.894 6.624 1.00 0.00 C ATOM 1157 CG ARG A 75 6.559 10.589 6.908 1.00 0.00 C ATOM 1158 CD ARG A 75 6.655 11.916 6.174 1.00 0.00 C ATOM 1159 NE ARG A 75 7.892 12.626 6.485 1.00 0.00 N ATOM 1160 CZ ARG A 75 8.241 13.776 5.922 1.00 0.00 C ATOM 1161 NH1 ARG A 75 7.450 14.340 5.019 1.00 0.00 N ATOM 1162 NH2 ARG A 75 9.380 14.364 6.259 1.00 0.00 N ATOM 0 H ARG A 75 5.562 6.865 6.368 1.00 0.00 H new ATOM 0 HA ARG A 75 5.234 8.805 8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.180 9.667 5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.422 10.581 6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.661 10.756 7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.384 9.944 6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.598 11.741 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.802 12.540 6.441 1.00 0.00 H new ATOM 0 HE ARG A 75 8.523 12.215 7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.573 13.890 4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.719 15.224 4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.991 13.933 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.646 15.248 5.825 1.00 0.00 H new ATOM 1176 N ASP A 76 2.970 8.371 6.130 1.00 0.00 N ATOM 1177 CA ASP A 76 1.582 7.970 5.902 1.00 0.00 C ATOM 1178 C ASP A 76 1.021 8.590 4.621 1.00 0.00 C ATOM 1179 O ASP A 76 1.680 9.392 3.959 1.00 0.00 O ATOM 1180 CB ASP A 76 0.707 8.380 7.091 1.00 0.00 C ATOM 1181 CG ASP A 76 0.974 9.803 7.539 1.00 0.00 C ATOM 1182 OD1 ASP A 76 0.358 10.730 6.970 1.00 0.00 O ATOM 1183 OD2 ASP A 76 1.798 9.993 8.457 1.00 0.00 O ATOM 0 H ASP A 76 3.409 8.840 5.338 1.00 0.00 H new ATOM 0 HA ASP A 76 1.569 6.885 5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.343 8.279 6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.887 7.700 7.923 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.204 8.196 4.288 1.00 0.00 N ATOM 1189 CA LEU A 77 -0.902 8.694 3.102 1.00 0.00 C ATOM 1190 C LEU A 77 -1.992 9.675 3.534 1.00 0.00 C ATOM 1191 O LEU A 77 -3.131 9.274 3.775 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.528 7.517 2.343 1.00 0.00 C ATOM 1193 CG LEU A 77 -0.536 6.585 1.630 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -0.032 7.211 0.353 1.00 0.00 C ATOM 1195 CD2 LEU A 77 0.632 6.247 2.534 1.00 0.00 C ATOM 0 H LEU A 77 -0.743 7.522 4.831 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.196 9.204 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.114 6.925 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.223 7.913 1.603 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.065 5.665 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.669 6.532 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.872 7.404 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.472 8.150 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.320 5.586 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.152 7.163 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.265 5.748 3.431 1.00 0.00 H new ATOM 1207 N SER A 78 -1.644 10.957 3.630 1.00 0.00 N ATOM 1208 CA SER A 78 -2.602 11.971 4.062 1.00 0.00 C ATOM 1209 C SER A 78 -3.770 12.051 3.094 1.00 0.00 C ATOM 1210 O SER A 78 -3.855 11.269 2.154 1.00 0.00 O ATOM 1211 CB SER A 78 -1.921 13.336 4.173 1.00 0.00 C ATOM 1212 OG SER A 78 -2.838 14.333 4.587 1.00 0.00 O ATOM 0 H SER A 78 -0.713 11.316 3.416 1.00 0.00 H new ATOM 0 HA SER A 78 -2.981 11.685 5.043 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.097 13.278 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.491 13.611 3.210 1.00 0.00 H new ATOM 0 HG SER A 78 -2.377 15.195 4.652 1.00 0.00 H new ATOM 1218 N ALA A 79 -4.671 13.000 3.326 1.00 0.00 N ATOM 1219 CA ALA A 79 -5.829 13.182 2.456 1.00 0.00 C ATOM 1220 C ALA A 79 -5.399 13.191 0.996 1.00 0.00 C ATOM 1221 O ALA A 79 -5.966 12.494 0.155 1.00 0.00 O ATOM 1222 CB ALA A 79 -6.534 14.483 2.794 1.00 0.00 C ATOM 0 H ALA A 79 -4.623 13.654 4.107 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.517 12.351 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.397 14.610 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.866 14.458 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.846 15.317 2.653 1.00 0.00 H new ATOM 1228 N LYS A 80 -4.385 13.996 0.718 1.00 0.00 N ATOM 1229 CA LYS A 80 -3.833 14.117 -0.623 1.00 0.00 C ATOM 1230 C LYS A 80 -3.516 12.748 -1.218 1.00 0.00 C ATOM 1231 O LYS A 80 -3.974 12.409 -2.308 1.00 0.00 O ATOM 1232 CB LYS A 80 -2.552 14.952 -0.575 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.839 15.054 -1.915 1.00 0.00 C ATOM 1234 CD LYS A 80 -0.516 15.795 -1.789 1.00 0.00 C ATOM 1235 CE LYS A 80 -0.723 17.245 -1.387 1.00 0.00 C ATOM 1236 NZ LYS A 80 -1.501 17.997 -2.409 1.00 0.00 N ATOM 0 H LYS A 80 -3.923 14.582 1.413 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.578 14.603 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.796 15.955 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.872 14.516 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.661 14.054 -2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.479 15.570 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.111 15.298 -1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.017 15.753 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.244 17.286 -0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.245 17.724 -1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.421 19.017 -2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.126 17.786 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.501 17.714 -2.362 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.734 11.967 -0.484 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.321 10.649 -0.922 1.00 0.00 C ATOM 1252 C GLU A 81 -3.452 9.649 -0.778 1.00 0.00 C ATOM 1253 O GLU A 81 -3.472 8.625 -1.447 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.119 10.188 -0.103 1.00 0.00 C ATOM 1255 CG GLU A 81 -0.220 11.309 0.413 1.00 0.00 C ATOM 1256 CD GLU A 81 0.042 12.405 -0.609 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.447 12.296 -1.752 1.00 0.00 O ATOM 1258 OE2 GLU A 81 0.740 13.380 -0.259 1.00 0.00 O ATOM 0 H GLU A 81 -2.371 12.233 0.431 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.047 10.708 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.479 9.611 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.519 9.514 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.678 11.752 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.733 10.883 0.727 1.00 0.00 H new ATOM 1265 N THR A 82 -4.369 9.914 0.128 1.00 0.00 N ATOM 1266 CA THR A 82 -5.494 9.025 0.297 1.00 0.00 C ATOM 1267 C THR A 82 -6.309 9.051 -0.980 1.00 0.00 C ATOM 1268 O THR A 82 -6.669 8.014 -1.536 1.00 0.00 O ATOM 1269 CB THR A 82 -6.371 9.456 1.482 1.00 0.00 C ATOM 1270 OG1 THR A 82 -5.620 9.391 2.700 1.00 0.00 O ATOM 1271 CG2 THR A 82 -7.601 8.575 1.594 1.00 0.00 C ATOM 0 H THR A 82 -4.358 10.724 0.748 1.00 0.00 H new ATOM 0 HA THR A 82 -5.131 8.018 0.505 1.00 0.00 H new ATOM 0 HB THR A 82 -6.693 10.483 1.309 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.741 9.803 2.565 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.206 8.900 2.441 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.188 8.651 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.295 7.540 1.744 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.592 10.266 -1.434 1.00 0.00 N ATOM 1280 CA LYS A 83 -7.324 10.478 -2.667 1.00 0.00 C ATOM 1281 C LYS A 83 -6.435 10.196 -3.876 1.00 0.00 C ATOM 1282 O LYS A 83 -6.922 9.801 -4.934 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.853 11.913 -2.733 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.958 12.206 -1.731 1.00 0.00 C ATOM 1285 CD LYS A 83 -10.337 11.952 -2.325 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.475 10.528 -2.840 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.837 10.267 -3.386 1.00 0.00 N ATOM 0 H LYS A 83 -6.320 11.126 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.168 9.788 -2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.027 12.603 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.226 12.107 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.822 11.583 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.888 13.244 -1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.099 12.141 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.516 12.653 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.731 10.349 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.267 9.827 -2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.892 9.286 -3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.545 10.414 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.026 10.919 -4.174 1.00 0.00 H new ATOM 1301 N THR A 84 -5.124 10.413 -3.716 1.00 0.00 N ATOM 1302 CA THR A 84 -4.191 10.210 -4.817 1.00 0.00 C ATOM 1303 C THR A 84 -3.690 8.772 -4.915 1.00 0.00 C ATOM 1304 O THR A 84 -3.836 8.121 -5.949 1.00 0.00 O ATOM 1305 CB THR A 84 -2.976 11.154 -4.707 1.00 0.00 C ATOM 1306 OG1 THR A 84 -3.415 12.517 -4.656 1.00 0.00 O ATOM 1307 CG2 THR A 84 -2.039 10.968 -5.892 1.00 0.00 C ATOM 0 H THR A 84 -4.695 10.725 -2.845 1.00 0.00 H new ATOM 0 HA THR A 84 -4.755 10.437 -5.722 1.00 0.00 H new ATOM 0 HB THR A 84 -2.438 10.910 -3.791 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.393 12.833 -3.729 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.189 11.644 -5.794 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.683 9.938 -5.916 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.573 11.189 -6.816 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.102 8.286 -3.833 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.548 6.933 -3.793 1.00 0.00 C ATOM 1317 C LEU A 85 -3.599 5.854 -3.535 1.00 0.00 C ATOM 1318 O LEU A 85 -3.696 4.889 -4.291 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.469 6.852 -2.718 1.00 0.00 C ATOM 1320 CG LEU A 85 -0.808 5.481 -2.544 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -1.709 4.538 -1.758 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.461 4.882 -3.900 1.00 0.00 C ATOM 0 H LEU A 85 -2.994 8.809 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.129 6.739 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.694 7.582 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.908 7.147 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 85 0.114 5.617 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.217 3.572 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.905 4.959 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.651 4.407 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.008 3.908 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.370 4.765 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.228 5.544 -4.424 1.00 0.00 H new ATOM 1334 N MET A 86 -4.405 6.022 -2.486 1.00 0.00 N ATOM 1335 CA MET A 86 -5.402 5.019 -2.152 1.00 0.00 C ATOM 1336 C MET A 86 -6.400 4.845 -3.285 1.00 0.00 C ATOM 1337 O MET A 86 -6.665 3.728 -3.733 1.00 0.00 O ATOM 1338 CB MET A 86 -6.115 5.408 -0.863 1.00 0.00 C ATOM 1339 CG MET A 86 -6.213 4.275 0.138 1.00 0.00 C ATOM 1340 SD MET A 86 -4.597 3.614 0.584 1.00 0.00 S ATOM 1341 CE MET A 86 -3.792 5.087 1.208 1.00 0.00 C ATOM 0 H MET A 86 -4.385 6.831 -1.865 1.00 0.00 H new ATOM 0 HA MET A 86 -4.898 4.064 -2.003 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.588 6.244 -0.403 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.119 5.758 -1.104 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.718 4.630 1.036 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.827 3.477 -0.279 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.805 4.828 1.591 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.689 5.814 0.403 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.391 5.517 2.011 1.00 0.00 H new ATOM 1351 N ALA A 87 -6.950 5.953 -3.748 1.00 0.00 N ATOM 1352 CA ALA A 87 -7.902 5.926 -4.841 1.00 0.00 C ATOM 1353 C ALA A 87 -7.264 5.306 -6.083 1.00 0.00 C ATOM 1354 O ALA A 87 -7.962 4.772 -6.946 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.414 7.330 -5.124 1.00 0.00 C ATOM 0 H ALA A 87 -6.752 6.884 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.754 5.307 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.128 7.298 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.903 7.725 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.578 7.975 -5.395 1.00 0.00 H new ATOM 1361 N ALA A 88 -5.932 5.379 -6.168 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.209 4.817 -7.301 1.00 0.00 C ATOM 1363 C ALA A 88 -5.320 3.301 -7.283 1.00 0.00 C ATOM 1364 O ALA A 88 -5.852 2.697 -8.212 1.00 0.00 O ATOM 1365 CB ALA A 88 -3.750 5.250 -7.277 1.00 0.00 C ATOM 0 H ALA A 88 -5.339 5.821 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.654 5.191 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.229 4.819 -8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.692 6.337 -7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.283 4.904 -6.355 1.00 0.00 H new ATOM 1371 N GLY A 89 -4.812 2.687 -6.214 1.00 0.00 N ATOM 1372 CA GLY A 89 -4.903 1.245 -6.085 1.00 0.00 C ATOM 1373 C GLY A 89 -6.328 0.775 -6.275 1.00 0.00 C ATOM 1374 O GLY A 89 -6.580 -0.357 -6.687 1.00 0.00 O ATOM 0 H GLY A 89 -4.343 3.161 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.257 0.768 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.543 0.940 -5.102 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.259 1.672 -5.962 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.682 1.412 -6.102 1.00 0.00 C ATOM 1380 C ASP A 90 -9.181 1.951 -7.447 1.00 0.00 C ATOM 1381 O ASP A 90 -10.295 2.457 -7.566 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.430 2.051 -4.930 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.933 1.970 -5.071 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.478 0.851 -4.974 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.566 3.025 -5.281 1.00 0.00 O ATOM 0 H ASP A 90 -7.043 2.602 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.869 0.338 -6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.131 1.559 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.135 3.097 -4.845 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.320 1.842 -8.455 1.00 0.00 N ATOM 1391 CA LYS A 91 -8.601 2.302 -9.807 1.00 0.00 C ATOM 1392 C LYS A 91 -10.072 2.152 -10.194 1.00 0.00 C ATOM 1393 O LYS A 91 -10.714 3.121 -10.605 1.00 0.00 O ATOM 1394 CB LYS A 91 -7.722 1.501 -10.752 1.00 0.00 C ATOM 1395 CG LYS A 91 -7.699 2.014 -12.167 1.00 0.00 C ATOM 1396 CD LYS A 91 -8.777 1.353 -13.003 1.00 0.00 C ATOM 1397 CE LYS A 91 -8.888 1.995 -14.373 1.00 0.00 C ATOM 1398 NZ LYS A 91 -9.974 1.386 -15.190 1.00 0.00 N ATOM 0 H LYS A 91 -7.395 1.425 -8.352 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.385 3.369 -9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.703 1.496 -10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.066 0.467 -10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.844 3.094 -12.168 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.722 1.823 -12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.554 0.292 -13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.735 1.425 -12.487 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.076 3.063 -14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.939 1.893 -14.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.556 0.824 -15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.557 0.770 -14.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.568 2.138 -15.594 1.00 0.00 H new ATOM 1412 N ASP A 92 -10.605 0.945 -10.065 1.00 0.00 N ATOM 1413 CA ASP A 92 -11.999 0.690 -10.415 1.00 0.00 C ATOM 1414 C ASP A 92 -12.923 0.866 -9.209 1.00 0.00 C ATOM 1415 O ASP A 92 -13.895 0.127 -9.053 1.00 0.00 O ATOM 1416 CB ASP A 92 -12.148 -0.723 -10.983 1.00 0.00 C ATOM 1417 CG ASP A 92 -11.390 -0.907 -12.283 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -10.205 -1.297 -12.229 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -11.983 -0.661 -13.356 1.00 0.00 O ATOM 0 H ASP A 92 -10.098 0.129 -9.722 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.291 1.419 -11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -11.788 -1.446 -10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.204 -0.936 -11.148 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.621 1.846 -8.361 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.441 2.087 -7.193 1.00 0.00 C ATOM 1426 C GLY A 93 -13.732 3.556 -6.950 1.00 0.00 C ATOM 1427 O GLY A 93 -13.662 4.373 -7.867 1.00 0.00 O ATOM 0 H GLY A 93 -11.824 2.474 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.384 1.552 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.941 1.674 -6.317 1.00 0.00 H new ATOM 1431 N ASP A 94 -14.059 3.889 -5.700 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.378 5.265 -5.326 1.00 0.00 C ATOM 1433 C ASP A 94 -13.344 5.860 -4.366 1.00 0.00 C ATOM 1434 O ASP A 94 -13.464 7.020 -3.971 1.00 0.00 O ATOM 1435 CB ASP A 94 -15.761 5.324 -4.676 1.00 0.00 C ATOM 1436 CG ASP A 94 -16.211 6.745 -4.397 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -15.890 7.266 -3.308 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -16.886 7.337 -5.266 1.00 0.00 O ATOM 0 H ASP A 94 -14.109 3.222 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 94 -14.366 5.857 -6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -16.487 4.838 -5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.745 4.762 -3.742 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.333 5.080 -3.985 1.00 0.00 N ATOM 1444 CA GLY A 95 -11.332 5.592 -3.062 1.00 0.00 C ATOM 1445 C GLY A 95 -10.949 4.615 -1.966 1.00 0.00 C ATOM 1446 O GLY A 95 -10.058 4.891 -1.162 1.00 0.00 O ATOM 0 H GLY A 95 -12.190 4.118 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.438 5.861 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.708 6.507 -2.604 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.620 3.480 -1.935 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.361 2.450 -0.930 1.00 0.00 C ATOM 1452 C LYS A 96 -10.534 1.326 -1.541 1.00 0.00 C ATOM 1453 O LYS A 96 -10.779 0.916 -2.668 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.686 1.866 -0.410 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.850 2.844 -0.434 1.00 0.00 C ATOM 1456 CD LYS A 96 -13.778 3.826 0.721 1.00 0.00 C ATOM 1457 CE LYS A 96 -14.830 4.915 0.589 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.201 4.401 0.860 1.00 0.00 N ATOM 0 H LYS A 96 -12.357 3.240 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.815 2.905 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.946 0.994 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.540 1.517 0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.848 3.390 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.790 2.294 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.919 3.294 1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.787 4.278 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.603 5.725 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.792 5.336 -0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.888 5.175 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.429 3.646 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.245 4.023 1.828 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.577 0.801 -0.790 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.742 -0.274 -1.301 1.00 0.00 C ATOM 1474 C ILE A 97 -9.025 -1.581 -0.578 1.00 0.00 C ATOM 1475 O ILE A 97 -8.720 -1.730 0.602 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.233 0.061 -1.187 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -6.888 1.277 -2.053 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.376 -1.137 -1.593 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.399 1.530 -2.174 1.00 0.00 C ATOM 0 H ILE A 97 -9.362 1.097 0.162 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.992 -0.386 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.017 0.299 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.306 1.134 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.366 2.161 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.321 -0.877 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.597 -1.981 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.597 -1.409 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.228 2.405 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.978 1.705 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.918 0.662 -2.625 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.603 -2.526 -1.303 1.00 0.00 N ATOM 1492 CA GLY A 98 -9.897 -3.821 -0.731 1.00 0.00 C ATOM 1493 C GLY A 98 -8.893 -4.850 -1.193 1.00 0.00 C ATOM 1494 O GLY A 98 -8.154 -4.611 -2.147 1.00 0.00 O ATOM 0 H GLY A 98 -9.874 -2.418 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.883 -3.755 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.902 -4.131 -1.019 1.00 0.00 H new ATOM 1498 N VAL A 99 -8.852 -5.998 -0.528 1.00 0.00 N ATOM 1499 CA VAL A 99 -7.915 -7.050 -0.910 1.00 0.00 C ATOM 1500 C VAL A 99 -7.958 -7.285 -2.421 1.00 0.00 C ATOM 1501 O VAL A 99 -6.944 -7.596 -3.043 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.212 -8.374 -0.174 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -9.521 -8.984 -0.654 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.062 -9.352 -0.352 1.00 0.00 C ATOM 0 H VAL A 99 -9.448 -6.224 0.268 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.919 -6.714 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.316 -8.156 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -9.706 -9.916 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.338 -8.288 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.458 -9.186 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.289 -10.280 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.923 -9.561 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.149 -8.918 0.055 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.146 -7.122 -2.995 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.347 -7.304 -4.429 1.00 0.00 C ATOM 1516 C GLU A 100 -8.721 -6.167 -5.234 1.00 0.00 C ATOM 1517 O GLU A 100 -7.992 -6.402 -6.196 1.00 0.00 O ATOM 1518 CB GLU A 100 -10.836 -7.394 -4.744 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.589 -6.146 -4.360 1.00 0.00 C ATOM 1520 CD GLU A 100 -13.094 -6.321 -4.424 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -13.657 -6.211 -5.533 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -13.709 -6.565 -3.366 1.00 0.00 O ATOM 0 H GLU A 100 -9.990 -6.862 -2.485 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.855 -8.234 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.967 -7.579 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.263 -8.248 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.305 -5.853 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.295 -5.332 -5.022 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.017 -4.934 -4.830 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.505 -3.757 -5.514 1.00 0.00 C ATOM 1531 C GLU A 101 -7.005 -3.597 -5.298 1.00 0.00 C ATOM 1532 O GLU A 101 -6.302 -3.016 -6.132 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.253 -2.523 -5.020 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.130 -1.885 -6.080 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.157 -2.849 -6.643 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -12.256 -2.952 -6.060 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -10.861 -3.500 -7.667 1.00 0.00 O ATOM 0 H GLU A 101 -9.612 -4.727 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.667 -3.877 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.871 -2.800 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.531 -1.787 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.642 -1.023 -5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.503 -1.514 -6.890 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.512 -4.117 -4.180 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.090 -4.037 -3.874 1.00 0.00 C ATOM 1546 C PHE A 102 -4.273 -4.572 -5.046 1.00 0.00 C ATOM 1547 O PHE A 102 -3.117 -4.197 -5.237 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.771 -4.826 -2.604 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.607 -4.281 -1.837 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.763 -3.220 -0.958 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.355 -4.833 -1.997 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.682 -2.724 -0.252 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.269 -4.346 -1.296 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.433 -3.289 -0.422 1.00 0.00 C ATOM 0 H PHE A 102 -7.072 -4.596 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.827 -2.992 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.650 -4.832 -1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.566 -5.862 -2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.738 -2.776 -0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.221 -5.658 -2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.814 -1.897 0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.294 -4.791 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.586 -2.905 0.127 1.00 0.00 H new ATOM 1564 N SER A 103 -4.892 -5.457 -5.830 1.00 0.00 N ATOM 1565 CA SER A 103 -4.239 -6.038 -6.993 1.00 0.00 C ATOM 1566 C SER A 103 -4.129 -5.008 -8.111 1.00 0.00 C ATOM 1567 O SER A 103 -3.084 -4.884 -8.750 1.00 0.00 O ATOM 1568 CB SER A 103 -5.015 -7.262 -7.485 1.00 0.00 C ATOM 1569 OG SER A 103 -4.370 -7.864 -8.591 1.00 0.00 O ATOM 0 H SER A 103 -5.846 -5.784 -5.676 1.00 0.00 H new ATOM 0 HA SER A 103 -3.236 -6.351 -6.703 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.108 -7.987 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.026 -6.967 -7.766 1.00 0.00 H new ATOM 0 HG SER A 103 -4.885 -8.644 -8.885 1.00 0.00 H new ATOM 1575 N THR A 104 -5.212 -4.272 -8.346 1.00 0.00 N ATOM 1576 CA THR A 104 -5.216 -3.249 -9.382 1.00 0.00 C ATOM 1577 C THR A 104 -4.088 -2.255 -9.134 1.00 0.00 C ATOM 1578 O THR A 104 -3.480 -1.742 -10.073 1.00 0.00 O ATOM 1579 CB THR A 104 -6.562 -2.496 -9.452 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.636 -3.429 -9.620 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.564 -1.504 -10.609 1.00 0.00 C ATOM 0 H THR A 104 -6.091 -4.365 -7.836 1.00 0.00 H new ATOM 0 HA THR A 104 -5.068 -3.753 -10.337 1.00 0.00 H new ATOM 0 HB THR A 104 -6.698 -1.948 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.487 -2.944 -9.662 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.521 -0.984 -10.641 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.762 -0.779 -10.468 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.410 -2.038 -11.547 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.813 -1.991 -7.859 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.745 -1.072 -7.486 1.00 0.00 C ATOM 1591 C LEU A 105 -1.414 -1.551 -8.057 1.00 0.00 C ATOM 1592 O LEU A 105 -0.604 -0.754 -8.526 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.648 -0.952 -5.965 1.00 0.00 C ATOM 1594 CG LEU A 105 -1.966 0.315 -5.448 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -1.868 0.287 -3.931 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -0.599 0.477 -6.084 1.00 0.00 C ATOM 0 H LEU A 105 -4.314 -2.400 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.975 -0.090 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.655 -0.998 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.106 -1.817 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.571 1.177 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.380 1.197 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.868 0.224 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.285 -0.580 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.127 1.384 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.021 -0.385 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.707 0.549 -7.166 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.196 -2.862 -8.016 1.00 0.00 N ATOM 1609 CA VAL A 106 0.033 -3.437 -8.543 1.00 0.00 C ATOM 1610 C VAL A 106 0.231 -3.006 -9.988 1.00 0.00 C ATOM 1611 O VAL A 106 1.355 -2.791 -10.439 1.00 0.00 O ATOM 1612 CB VAL A 106 0.015 -4.974 -8.471 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.312 -5.549 -9.020 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.221 -5.437 -7.041 1.00 0.00 C ATOM 0 H VAL A 106 -1.850 -3.540 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 106 0.857 -3.073 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.806 -5.340 -9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.281 -6.637 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.433 -5.245 -10.060 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.152 -5.177 -8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.231 -6.526 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.577 -5.062 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.179 -5.055 -6.688 1.00 0.00 H new ATOM 1624 N ALA A 107 -0.879 -2.881 -10.706 1.00 0.00 N ATOM 1625 CA ALA A 107 -0.849 -2.458 -12.097 1.00 0.00 C ATOM 1626 C ALA A 107 -0.713 -0.942 -12.186 1.00 0.00 C ATOM 1627 O ALA A 107 -0.080 -0.415 -13.102 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.104 -2.926 -12.816 1.00 0.00 C ATOM 0 H ALA A 107 -1.814 -3.068 -10.344 1.00 0.00 H new ATOM 0 HA ALA A 107 0.016 -2.910 -12.583 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.069 -2.603 -13.856 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.162 -4.014 -12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.982 -2.497 -12.332 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.311 -0.248 -11.220 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.256 1.208 -11.174 1.00 0.00 C ATOM 1636 C GLU A 108 0.180 1.697 -11.242 1.00 0.00 C ATOM 1637 O GLU A 108 0.609 2.289 -12.232 1.00 0.00 O ATOM 1638 CB GLU A 108 -1.894 1.726 -9.889 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.406 1.629 -9.886 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.068 2.834 -10.524 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.323 3.823 -9.804 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.333 2.789 -11.744 1.00 0.00 O ATOM 0 H GLU A 108 -1.840 -0.673 -10.458 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.806 1.587 -12.035 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.500 1.162 -9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.604 2.766 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.710 0.728 -10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.758 1.527 -8.859 1.00 0.00 H new ATOM 1649 N SER A 109 0.917 1.439 -10.168 1.00 0.00 N ATOM 1650 CA SER A 109 2.295 1.841 -10.059 1.00 0.00 C ATOM 1651 C SER A 109 3.136 1.236 -11.179 1.00 0.00 C ATOM 1652 O SER A 109 3.280 1.893 -12.231 1.00 0.00 O ATOM 1653 CB SER A 109 2.810 1.391 -8.702 1.00 0.00 C ATOM 1654 OG SER A 109 2.119 0.240 -8.251 1.00 0.00 O ATOM 1655 OXT SER A 109 3.644 0.110 -10.994 1.00 0.00 O ATOM 0 H SER A 109 0.564 0.942 -9.350 1.00 0.00 H new ATOM 0 HA SER A 109 2.370 2.924 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.877 1.176 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.691 2.197 -7.978 1.00 0.00 H new ATOM 0 HG SER A 109 2.729 -0.527 -8.245 1.00 0.00 H new TER 1661 SER A 109