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 31 GLN : amide:sc= -0.264 K(o=-2.6,f=-3.5) USER MOD Set 1.2: A 109 SER OG : rot 121:sc= -2.32! USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -156:sc= -0.443 (180deg=-1.16) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -141:sc= -4.73! USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.083 (180deg=-0.412) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 23 SER OG : rot 180:sc= -1.65! USER MOD Single : A 26 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 0.762 (180deg=0.297) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0542) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 141:sc= -0.0151 (180deg=-0.509) USER MOD Single : A 37 LYS NZ :NH3+ -144:sc= -0.177 (180deg=-0.537) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0.891 (180deg=0.457) 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+ 168:sc= -0.0176 (180deg=-0.252) USER MOD Single : A 48 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0.038) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= -0.0802 (180deg=-0.503) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 0.354 (180deg=-0.00723) USER MOD Single : A 55 SER OG : rot 71:sc= 1.02 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 157:sc= 0.541 USER MOD Single : A 72 SER OG : rot 84:sc= 1.02 USER MOD Single : A 78 SER OG : rot 50:sc= 0.0457! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 65:sc= 1.11 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 71:sc= 0.951 USER MOD Single : A 86 MET CE :methyl -148:sc= -8.19! (180deg=-8.32!) USER MOD Single : A 91 LYS NZ :NH3+ -117:sc= 1.06 (180deg=-1.56!) USER MOD Single : A 96 LYS NZ :NH3+ 139:sc= 0.526 (180deg=-0.178) USER MOD Single : A 103 SER OG : rot 180:sc= -1.49 USER MOD Single : A 104 THR OG1 : rot -80:sc= -0.565 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.668 -13.120 7.901 1.00 0.00 N ATOM 2 CA SER A 1 4.024 -12.775 7.404 1.00 0.00 C ATOM 3 C SER A 1 3.942 -11.898 6.158 1.00 0.00 C ATOM 4 O SER A 1 3.175 -12.179 5.238 1.00 0.00 O ATOM 5 CB SER A 1 4.812 -14.049 7.087 1.00 0.00 C ATOM 6 OG SER A 1 5.015 -14.827 8.254 1.00 0.00 O ATOM 0 H1 SER A 1 2.750 -13.717 8.749 1.00 0.00 H new ATOM 0 H2 SER A 1 2.154 -12.248 8.140 1.00 0.00 H new ATOM 0 H3 SER A 1 2.149 -13.637 7.163 1.00 0.00 H new ATOM 0 HA SER A 1 4.538 -12.218 8.187 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.275 -14.637 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.775 -13.785 6.650 1.00 0.00 H new ATOM 0 HG SER A 1 5.519 -15.636 8.025 1.00 0.00 H new ATOM 14 N MET A 2 4.738 -10.834 6.140 1.00 0.00 N ATOM 15 CA MET A 2 4.763 -9.912 5.009 1.00 0.00 C ATOM 16 C MET A 2 6.166 -9.822 4.422 1.00 0.00 C ATOM 17 O MET A 2 6.338 -9.746 3.204 1.00 0.00 O ATOM 18 CB MET A 2 4.280 -8.526 5.448 1.00 0.00 C ATOM 19 CG MET A 2 4.241 -7.491 4.329 1.00 0.00 C ATOM 20 SD MET A 2 5.861 -6.790 3.958 1.00 0.00 S ATOM 21 CE MET A 2 6.259 -6.011 5.518 1.00 0.00 C ATOM 0 H MET A 2 5.376 -10.588 6.897 1.00 0.00 H new ATOM 0 HA MET A 2 4.092 -10.291 4.238 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.281 -8.620 5.874 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.932 -8.161 6.242 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.837 -7.953 3.428 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.559 -6.688 4.609 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.976 -5.207 5.351 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.352 -5.602 5.962 1.00 0.00 H new ATOM 0 HE3 MET A 2 6.692 -6.749 6.193 1.00 0.00 H new ATOM 31 N THR A 3 7.170 -9.829 5.294 1.00 0.00 N ATOM 32 CA THR A 3 8.557 -9.747 4.861 1.00 0.00 C ATOM 33 C THR A 3 8.967 -11.018 4.127 1.00 0.00 C ATOM 34 O THR A 3 9.855 -10.997 3.274 1.00 0.00 O ATOM 35 CB THR A 3 9.508 -9.527 6.052 1.00 0.00 C ATOM 36 OG1 THR A 3 9.344 -10.579 7.011 1.00 0.00 O ATOM 37 CG2 THR A 3 9.245 -8.183 6.715 1.00 0.00 C ATOM 0 H THR A 3 7.047 -9.891 6.305 1.00 0.00 H new ATOM 0 HA THR A 3 8.633 -8.893 4.188 1.00 0.00 H new ATOM 0 HB THR A 3 10.531 -9.534 5.677 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.953 -10.433 7.764 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.929 -8.051 7.553 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.400 -7.383 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.217 -8.151 7.077 1.00 0.00 H new ATOM 45 N ASP A 4 8.314 -12.123 4.469 1.00 0.00 N ATOM 46 CA ASP A 4 8.605 -13.405 3.840 1.00 0.00 C ATOM 47 C ASP A 4 8.212 -13.381 2.368 1.00 0.00 C ATOM 48 O ASP A 4 8.764 -14.120 1.553 1.00 0.00 O ATOM 49 CB ASP A 4 7.862 -14.533 4.559 1.00 0.00 C ATOM 50 CG ASP A 4 8.149 -15.892 3.951 1.00 0.00 C ATOM 51 OD1 ASP A 4 7.511 -16.233 2.933 1.00 0.00 O ATOM 52 OD2 ASP A 4 9.013 -16.614 4.491 1.00 0.00 O ATOM 0 H ASP A 4 7.581 -12.157 5.177 1.00 0.00 H new ATOM 0 HA ASP A 4 9.678 -13.585 3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.148 -14.541 5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.790 -14.340 4.522 1.00 0.00 H new ATOM 57 N LEU A 5 7.250 -12.525 2.033 1.00 0.00 N ATOM 58 CA LEU A 5 6.787 -12.399 0.658 1.00 0.00 C ATOM 59 C LEU A 5 7.376 -11.156 0.003 1.00 0.00 C ATOM 60 O LEU A 5 8.092 -11.247 -0.993 1.00 0.00 O ATOM 61 CB LEU A 5 5.261 -12.337 0.605 1.00 0.00 C ATOM 62 CG LEU A 5 4.542 -13.550 1.198 1.00 0.00 C ATOM 63 CD1 LEU A 5 4.481 -13.450 2.714 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.147 -13.681 0.608 1.00 0.00 C ATOM 0 H LEU A 5 6.778 -11.910 2.696 1.00 0.00 H new ATOM 0 HA LEU A 5 7.123 -13.279 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.930 -11.443 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.953 -12.224 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 5 5.107 -14.446 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.966 -14.322 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.493 -13.409 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.940 -12.547 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.649 -14.549 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.571 -12.783 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.219 -13.805 -0.473 1.00 0.00 H new ATOM 76 N LEU A 6 7.066 -9.997 0.572 1.00 0.00 N ATOM 77 CA LEU A 6 7.567 -8.733 0.049 1.00 0.00 C ATOM 78 C LEU A 6 9.039 -8.556 0.394 1.00 0.00 C ATOM 79 O LEU A 6 9.464 -8.851 1.510 1.00 0.00 O ATOM 80 CB LEU A 6 6.761 -7.564 0.616 1.00 0.00 C ATOM 81 CG LEU A 6 5.260 -7.615 0.333 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.592 -6.313 0.736 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.009 -7.920 -1.136 1.00 0.00 C ATOM 0 H LEU A 6 6.470 -9.907 1.395 1.00 0.00 H new ATOM 0 HA LEU A 6 7.458 -8.748 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.911 -7.529 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.161 -6.635 0.208 1.00 0.00 H new ATOM 0 HG LEU A 6 4.823 -8.416 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.524 -6.372 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.743 -6.141 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.028 -5.490 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.936 -7.953 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.460 -7.142 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.451 -8.884 -1.388 1.00 0.00 H new ATOM 95 N SER A 7 9.812 -8.075 -0.571 1.00 0.00 N ATOM 96 CA SER A 7 11.234 -7.855 -0.358 1.00 0.00 C ATOM 97 C SER A 7 11.455 -6.966 0.864 1.00 0.00 C ATOM 98 O SER A 7 11.134 -5.777 0.846 1.00 0.00 O ATOM 99 CB SER A 7 11.862 -7.219 -1.598 1.00 0.00 C ATOM 100 OG SER A 7 11.039 -6.188 -2.111 1.00 0.00 O ATOM 0 H SER A 7 9.479 -7.831 -1.504 1.00 0.00 H new ATOM 0 HA SER A 7 11.714 -8.817 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.843 -6.815 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.017 -7.980 -2.363 1.00 0.00 H new ATOM 0 HG SER A 7 11.052 -6.216 -3.091 1.00 0.00 H new ATOM 106 N ALA A 8 12.008 -7.552 1.922 1.00 0.00 N ATOM 107 CA ALA A 8 12.265 -6.826 3.162 1.00 0.00 C ATOM 108 C ALA A 8 13.225 -5.663 2.937 1.00 0.00 C ATOM 109 O ALA A 8 13.084 -4.601 3.541 1.00 0.00 O ATOM 110 CB ALA A 8 12.820 -7.770 4.217 1.00 0.00 C ATOM 0 H ALA A 8 12.288 -8.533 1.945 1.00 0.00 H new ATOM 0 HA ALA A 8 11.318 -6.415 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.008 -7.217 5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.098 -8.563 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.752 -8.207 3.860 1.00 0.00 H new ATOM 116 N GLU A 9 14.203 -5.874 2.064 1.00 0.00 N ATOM 117 CA GLU A 9 15.191 -4.847 1.759 1.00 0.00 C ATOM 118 C GLU A 9 14.542 -3.663 1.040 1.00 0.00 C ATOM 119 O GLU A 9 14.730 -2.509 1.427 1.00 0.00 O ATOM 120 CB GLU A 9 16.314 -5.458 0.908 1.00 0.00 C ATOM 121 CG GLU A 9 17.183 -4.439 0.186 1.00 0.00 C ATOM 122 CD GLU A 9 18.428 -5.058 -0.418 1.00 0.00 C ATOM 123 OE1 GLU A 9 19.448 -5.157 0.296 1.00 0.00 O ATOM 124 OE2 GLU A 9 18.383 -5.445 -1.606 1.00 0.00 O ATOM 0 H GLU A 9 14.333 -6.748 1.555 1.00 0.00 H new ATOM 0 HA GLU A 9 15.615 -4.472 2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.949 -6.068 1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.871 -6.127 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.600 -3.963 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.474 -3.655 0.885 1.00 0.00 H new ATOM 131 N ASP A 10 13.766 -3.964 0.008 1.00 0.00 N ATOM 132 CA ASP A 10 13.088 -2.937 -0.777 1.00 0.00 C ATOM 133 C ASP A 10 12.247 -2.028 0.104 1.00 0.00 C ATOM 134 O ASP A 10 12.384 -0.807 0.073 1.00 0.00 O ATOM 135 CB ASP A 10 12.177 -3.604 -1.789 1.00 0.00 C ATOM 136 CG ASP A 10 12.944 -4.450 -2.787 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.865 -5.178 -2.363 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.619 -4.386 -3.992 1.00 0.00 O ATOM 0 H ASP A 10 13.588 -4.917 -0.308 1.00 0.00 H new ATOM 0 HA ASP A 10 13.849 -2.335 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.454 -4.230 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.611 -2.841 -2.323 1.00 0.00 H new ATOM 143 N ILE A 11 11.375 -2.644 0.887 1.00 0.00 N ATOM 144 CA ILE A 11 10.497 -1.915 1.785 1.00 0.00 C ATOM 145 C ILE A 11 11.305 -1.040 2.729 1.00 0.00 C ATOM 146 O ILE A 11 11.074 0.163 2.821 1.00 0.00 O ATOM 147 CB ILE A 11 9.642 -2.885 2.609 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.863 -3.856 1.717 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.691 -2.111 3.506 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.529 -5.160 2.406 1.00 0.00 C ATOM 0 H ILE A 11 11.257 -3.657 0.917 1.00 0.00 H new ATOM 0 HA ILE A 11 9.846 -1.286 1.177 1.00 0.00 H new ATOM 0 HB ILE A 11 10.316 -3.478 3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.939 -3.378 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.448 -4.065 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.089 -2.810 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.264 -1.477 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.037 -1.490 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.977 -5.803 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.450 -5.658 2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.918 -4.960 3.287 1.00 0.00 H new ATOM 162 N LYS A 12 12.263 -1.648 3.417 1.00 0.00 N ATOM 163 CA LYS A 12 13.106 -0.915 4.349 1.00 0.00 C ATOM 164 C LYS A 12 13.762 0.275 3.656 1.00 0.00 C ATOM 165 O LYS A 12 13.825 1.373 4.210 1.00 0.00 O ATOM 166 CB LYS A 12 14.179 -1.833 4.931 1.00 0.00 C ATOM 167 CG LYS A 12 14.855 -1.261 6.164 1.00 0.00 C ATOM 168 CD LYS A 12 13.964 -1.367 7.393 1.00 0.00 C ATOM 169 CE LYS A 12 13.695 -2.817 7.765 1.00 0.00 C ATOM 170 NZ LYS A 12 14.955 -3.585 7.964 1.00 0.00 N ATOM 0 H LYS A 12 12.474 -2.643 3.347 1.00 0.00 H new ATOM 0 HA LYS A 12 12.478 -0.546 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.728 -2.792 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.934 -2.027 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.790 -1.791 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.110 -0.216 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.438 -0.857 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.019 -0.858 7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.101 -2.853 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.103 -3.289 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.740 -4.492 8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.403 -3.762 7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.604 -3.038 8.565 1.00 0.00 H new ATOM 184 N LYS A 13 14.242 0.052 2.434 1.00 0.00 N ATOM 185 CA LYS A 13 14.897 1.107 1.670 1.00 0.00 C ATOM 186 C LYS A 13 13.896 2.147 1.198 1.00 0.00 C ATOM 187 O LYS A 13 14.043 3.335 1.460 1.00 0.00 O ATOM 188 CB LYS A 13 15.578 0.516 0.442 1.00 0.00 C ATOM 189 CG LYS A 13 16.744 -0.397 0.766 1.00 0.00 C ATOM 190 CD LYS A 13 16.929 -1.473 -0.296 1.00 0.00 C ATOM 191 CE LYS A 13 16.882 -0.903 -1.707 1.00 0.00 C ATOM 192 NZ LYS A 13 17.216 -1.929 -2.732 1.00 0.00 N ATOM 0 H LYS A 13 14.189 -0.847 1.955 1.00 0.00 H new ATOM 0 HA LYS A 13 15.629 1.579 2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.842 -0.042 -0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.931 1.329 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.656 0.193 0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.580 -0.867 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.884 -1.974 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.151 -2.228 -0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.887 -0.504 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.581 -0.070 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.173 -1.501 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.175 -2.292 -2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.534 -2.712 -2.675 1.00 0.00 H new ATOM 206 N ALA A 14 12.853 1.675 0.535 1.00 0.00 N ATOM 207 CA ALA A 14 11.820 2.545 0.002 1.00 0.00 C ATOM 208 C ALA A 14 11.108 3.297 1.114 1.00 0.00 C ATOM 209 O ALA A 14 10.722 4.456 0.955 1.00 0.00 O ATOM 210 CB ALA A 14 10.832 1.722 -0.807 1.00 0.00 C ATOM 0 H ALA A 14 12.700 0.683 0.352 1.00 0.00 H new ATOM 0 HA ALA A 14 12.287 3.286 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.056 2.375 -1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.354 1.232 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.376 0.968 -0.166 1.00 0.00 H new ATOM 216 N ILE A 15 10.941 2.623 2.239 1.00 0.00 N ATOM 217 CA ILE A 15 10.275 3.195 3.392 1.00 0.00 C ATOM 218 C ILE A 15 11.043 4.398 3.958 1.00 0.00 C ATOM 219 O ILE A 15 10.486 5.488 4.097 1.00 0.00 O ATOM 220 CB ILE A 15 10.083 2.101 4.474 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.913 1.196 4.081 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.873 2.683 5.867 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.550 1.829 4.324 1.00 0.00 C ATOM 0 H ILE A 15 11.264 1.665 2.377 1.00 0.00 H new ATOM 0 HA ILE A 15 9.299 3.565 3.076 1.00 0.00 H new ATOM 0 HB ILE A 15 11.001 1.516 4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.002 0.937 3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.978 0.265 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.744 1.872 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.741 3.280 6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.984 3.313 5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.767 1.133 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.441 2.063 5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.465 2.745 3.740 1.00 0.00 H new ATOM 235 N GLY A 16 12.315 4.192 4.282 1.00 0.00 N ATOM 236 CA GLY A 16 13.114 5.258 4.872 1.00 0.00 C ATOM 237 C GLY A 16 13.959 6.061 3.892 1.00 0.00 C ATOM 238 O GLY A 16 14.607 7.029 4.292 1.00 0.00 O ATOM 0 H GLY A 16 12.809 3.310 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.446 5.942 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.774 4.822 5.622 1.00 0.00 H new ATOM 242 N ALA A 17 13.973 5.682 2.618 1.00 0.00 N ATOM 243 CA ALA A 17 14.784 6.404 1.634 1.00 0.00 C ATOM 244 C ALA A 17 14.011 7.517 0.934 1.00 0.00 C ATOM 245 O ALA A 17 14.599 8.305 0.190 1.00 0.00 O ATOM 246 CB ALA A 17 15.348 5.444 0.598 1.00 0.00 C ATOM 0 H ALA A 17 13.444 4.894 2.244 1.00 0.00 H new ATOM 0 HA ALA A 17 15.599 6.870 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.947 5.999 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.973 4.700 1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.529 4.944 0.081 1.00 0.00 H new ATOM 252 N PHE A 18 12.705 7.597 1.162 1.00 0.00 N ATOM 253 CA PHE A 18 11.899 8.625 0.510 1.00 0.00 C ATOM 254 C PHE A 18 11.306 9.613 1.504 1.00 0.00 C ATOM 255 O PHE A 18 10.432 9.263 2.297 1.00 0.00 O ATOM 256 CB PHE A 18 10.766 7.991 -0.290 1.00 0.00 C ATOM 257 CG PHE A 18 11.179 6.810 -1.113 1.00 0.00 C ATOM 258 CD1 PHE A 18 12.475 6.684 -1.584 1.00 0.00 C ATOM 259 CD2 PHE A 18 10.261 5.824 -1.418 1.00 0.00 C ATOM 260 CE1 PHE A 18 12.845 5.591 -2.343 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.621 4.733 -2.175 1.00 0.00 C ATOM 262 CZ PHE A 18 11.916 4.613 -2.637 1.00 0.00 C ATOM 0 H PHE A 18 12.188 6.974 1.782 1.00 0.00 H new ATOM 0 HA PHE A 18 12.570 9.169 -0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.979 7.682 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.335 8.745 -0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 18 13.204 7.448 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.247 5.911 -1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.858 5.502 -2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.891 3.972 -2.407 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.202 3.755 -3.228 1.00 0.00 H new ATOM 272 N THR A 19 11.793 10.846 1.464 1.00 0.00 N ATOM 273 CA THR A 19 11.280 11.891 2.336 1.00 0.00 C ATOM 274 C THR A 19 10.153 12.654 1.644 1.00 0.00 C ATOM 275 O THR A 19 9.097 12.885 2.226 1.00 0.00 O ATOM 276 CB THR A 19 12.386 12.882 2.746 1.00 0.00 C ATOM 277 OG1 THR A 19 12.946 13.502 1.582 1.00 0.00 O ATOM 278 CG2 THR A 19 13.483 12.174 3.526 1.00 0.00 C ATOM 0 H THR A 19 12.541 11.145 0.838 1.00 0.00 H new ATOM 0 HA THR A 19 10.900 11.406 3.235 1.00 0.00 H new ATOM 0 HB THR A 19 11.941 13.645 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.647 14.132 1.852 1.00 0.00 H new ATOM 0 HG21 THR A 19 14.253 12.893 3.805 1.00 0.00 H new ATOM 0 HG22 THR A 19 13.060 11.728 4.426 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.924 11.393 2.907 1.00 0.00 H new ATOM 286 N ALA A 20 10.419 13.063 0.401 1.00 0.00 N ATOM 287 CA ALA A 20 9.460 13.800 -0.420 1.00 0.00 C ATOM 288 C ALA A 20 8.755 12.893 -1.436 1.00 0.00 C ATOM 289 O ALA A 20 7.529 12.899 -1.548 1.00 0.00 O ATOM 290 CB ALA A 20 10.163 14.940 -1.138 1.00 0.00 C ATOM 0 H ALA A 20 11.310 12.891 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 20 8.695 14.201 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.443 15.485 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.602 15.616 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.949 14.538 -1.777 1.00 0.00 H new ATOM 296 N ALA A 21 9.551 12.126 -2.188 1.00 0.00 N ATOM 297 CA ALA A 21 9.031 11.231 -3.228 1.00 0.00 C ATOM 298 C ALA A 21 7.726 10.559 -2.822 1.00 0.00 C ATOM 299 O ALA A 21 6.674 10.819 -3.406 1.00 0.00 O ATOM 300 CB ALA A 21 10.074 10.179 -3.578 1.00 0.00 C ATOM 0 H ALA A 21 10.567 12.107 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 21 8.816 11.844 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.680 9.519 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.976 10.669 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.314 9.595 -2.690 1.00 0.00 H new ATOM 306 N ASP A 22 7.801 9.696 -1.826 1.00 0.00 N ATOM 307 CA ASP A 22 6.624 8.992 -1.335 1.00 0.00 C ATOM 308 C ASP A 22 5.707 9.953 -0.590 1.00 0.00 C ATOM 309 O ASP A 22 4.513 9.695 -0.433 1.00 0.00 O ATOM 310 CB ASP A 22 7.035 7.841 -0.416 1.00 0.00 C ATOM 311 CG ASP A 22 7.672 8.331 0.869 1.00 0.00 C ATOM 312 OD1 ASP A 22 8.530 9.234 0.798 1.00 0.00 O ATOM 313 OD2 ASP A 22 7.309 7.814 1.947 1.00 0.00 O ATOM 0 H ASP A 22 8.666 9.463 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 22 6.086 8.582 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.159 7.238 -0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.735 7.192 -0.941 1.00 0.00 H new ATOM 318 N SER A 23 6.277 11.064 -0.134 1.00 0.00 N ATOM 319 CA SER A 23 5.526 12.072 0.590 1.00 0.00 C ATOM 320 C SER A 23 4.283 12.488 -0.188 1.00 0.00 C ATOM 321 O SER A 23 3.195 12.602 0.376 1.00 0.00 O ATOM 322 CB SER A 23 6.418 13.289 0.835 1.00 0.00 C ATOM 323 OG SER A 23 6.065 13.952 2.038 1.00 0.00 O ATOM 0 H SER A 23 7.265 11.286 -0.257 1.00 0.00 H new ATOM 0 HA SER A 23 5.205 11.652 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.461 12.975 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.332 13.981 -0.003 1.00 0.00 H new ATOM 0 HG SER A 23 6.653 14.725 2.170 1.00 0.00 H new ATOM 329 N PHE A 24 4.450 12.714 -1.489 1.00 0.00 N ATOM 330 CA PHE A 24 3.336 13.129 -2.337 1.00 0.00 C ATOM 331 C PHE A 24 2.681 11.950 -3.054 1.00 0.00 C ATOM 332 O PHE A 24 1.462 11.929 -3.229 1.00 0.00 O ATOM 333 CB PHE A 24 3.799 14.170 -3.359 1.00 0.00 C ATOM 334 CG PHE A 24 5.002 13.748 -4.154 1.00 0.00 C ATOM 335 CD1 PHE A 24 4.858 12.995 -5.307 1.00 0.00 C ATOM 336 CD2 PHE A 24 6.276 14.111 -3.748 1.00 0.00 C ATOM 337 CE1 PHE A 24 5.964 12.610 -6.041 1.00 0.00 C ATOM 338 CE2 PHE A 24 7.384 13.730 -4.478 1.00 0.00 C ATOM 339 CZ PHE A 24 7.229 12.978 -5.626 1.00 0.00 C ATOM 0 H PHE A 24 5.341 12.617 -1.977 1.00 0.00 H new ATOM 0 HA PHE A 24 2.586 13.572 -1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.979 14.382 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.028 15.100 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.871 12.705 -5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.404 14.698 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.839 12.022 -6.938 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.372 14.020 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.095 12.678 -6.198 1.00 0.00 H new ATOM 349 N ASP A 25 3.477 10.968 -3.472 1.00 0.00 N ATOM 350 CA ASP A 25 2.928 9.814 -4.183 1.00 0.00 C ATOM 351 C ASP A 25 3.687 8.525 -3.873 1.00 0.00 C ATOM 352 O ASP A 25 4.800 8.312 -4.356 1.00 0.00 O ATOM 353 CB ASP A 25 2.942 10.074 -5.689 1.00 0.00 C ATOM 354 CG ASP A 25 2.349 8.923 -6.472 1.00 0.00 C ATOM 355 OD1 ASP A 25 2.013 7.896 -5.847 1.00 0.00 O ATOM 356 OD2 ASP A 25 2.217 9.048 -7.709 1.00 0.00 O ATOM 0 H ASP A 25 4.487 10.946 -3.334 1.00 0.00 H new ATOM 0 HA ASP A 25 1.903 9.680 -3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.383 10.984 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.967 10.245 -6.017 1.00 0.00 H new ATOM 361 N HIS A 26 3.072 7.669 -3.060 1.00 0.00 N ATOM 362 CA HIS A 26 3.664 6.387 -2.688 1.00 0.00 C ATOM 363 C HIS A 26 3.657 5.398 -3.856 1.00 0.00 C ATOM 364 O HIS A 26 4.302 4.354 -3.789 1.00 0.00 O ATOM 365 CB HIS A 26 2.915 5.782 -1.499 1.00 0.00 C ATOM 366 CG HIS A 26 3.135 6.516 -0.212 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.834 5.978 0.850 1.00 0.00 N ATOM 368 CD2 HIS A 26 2.741 7.748 0.186 1.00 0.00 C ATOM 369 CE1 HIS A 26 3.861 6.849 1.844 1.00 0.00 C ATOM 370 NE2 HIS A 26 3.206 7.930 1.465 1.00 0.00 N ATOM 0 H HIS A 26 2.157 7.842 -2.644 1.00 0.00 H new ATOM 0 HA HIS A 26 4.701 6.576 -2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.848 5.769 -1.722 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.227 4.745 -1.374 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.168 8.456 -0.394 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.337 6.701 2.802 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.067 8.767 2.031 1.00 0.00 H new ATOM 379 N LYS A 27 2.920 5.713 -4.930 1.00 0.00 N ATOM 380 CA LYS A 27 2.859 4.833 -6.083 1.00 0.00 C ATOM 381 C LYS A 27 4.259 4.387 -6.489 1.00 0.00 C ATOM 382 O LYS A 27 4.530 3.195 -6.598 1.00 0.00 O ATOM 383 CB LYS A 27 2.151 5.521 -7.250 1.00 0.00 C ATOM 384 CG LYS A 27 0.656 5.697 -7.045 1.00 0.00 C ATOM 385 CD LYS A 27 -0.115 5.362 -8.307 1.00 0.00 C ATOM 386 CE LYS A 27 0.285 6.259 -9.465 1.00 0.00 C ATOM 387 NZ LYS A 27 0.062 7.699 -9.159 1.00 0.00 N ATOM 0 H LYS A 27 2.366 6.565 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 27 2.283 3.949 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.603 6.500 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.318 4.940 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.320 5.056 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.446 6.725 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.062 4.321 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.184 5.466 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.337 6.098 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.287 5.984 -10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.084 8.249 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.864 7.817 -8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.810 8.038 -8.521 1.00 0.00 H new ATOM 401 N LYS A 28 5.158 5.343 -6.685 1.00 0.00 N ATOM 402 CA LYS A 28 6.528 5.008 -7.044 1.00 0.00 C ATOM 403 C LYS A 28 7.115 4.143 -5.943 1.00 0.00 C ATOM 404 O LYS A 28 7.771 3.135 -6.206 1.00 0.00 O ATOM 405 CB LYS A 28 7.362 6.274 -7.220 1.00 0.00 C ATOM 406 CG LYS A 28 6.874 7.175 -8.344 1.00 0.00 C ATOM 407 CD LYS A 28 6.811 6.429 -9.669 1.00 0.00 C ATOM 408 CE LYS A 28 8.143 5.782 -10.011 1.00 0.00 C ATOM 409 NZ LYS A 28 9.231 6.788 -10.149 1.00 0.00 N ATOM 0 H LYS A 28 4.967 6.342 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 28 6.537 4.467 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.355 6.836 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.397 5.993 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.886 7.564 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.540 8.033 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.036 5.664 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.527 7.120 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.408 5.065 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.046 5.222 -10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.107 6.313 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.960 7.497 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.387 7.258 -9.234 1.00 0.00 H new ATOM 423 N PHE A 29 6.873 4.555 -4.704 1.00 0.00 N ATOM 424 CA PHE A 29 7.333 3.801 -3.551 1.00 0.00 C ATOM 425 C PHE A 29 6.808 2.370 -3.642 1.00 0.00 C ATOM 426 O PHE A 29 7.454 1.435 -3.185 1.00 0.00 O ATOM 427 CB PHE A 29 6.873 4.483 -2.249 1.00 0.00 C ATOM 428 CG PHE A 29 6.862 3.585 -1.037 1.00 0.00 C ATOM 429 CD1 PHE A 29 8.036 3.275 -0.373 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.672 3.052 -0.567 1.00 0.00 C ATOM 431 CE1 PHE A 29 8.024 2.450 0.736 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.656 2.226 0.542 1.00 0.00 C ATOM 433 CZ PHE A 29 6.833 1.926 1.194 1.00 0.00 C ATOM 0 H PHE A 29 6.361 5.407 -4.475 1.00 0.00 H new ATOM 0 HA PHE A 29 8.423 3.773 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.526 5.332 -2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.869 4.881 -2.398 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.972 3.682 -0.725 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.746 3.284 -1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.948 2.216 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.722 1.816 0.897 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.823 1.282 2.061 1.00 0.00 H new ATOM 443 N PHE A 30 5.629 2.215 -4.237 1.00 0.00 N ATOM 444 CA PHE A 30 5.025 0.900 -4.410 1.00 0.00 C ATOM 445 C PHE A 30 5.935 0.013 -5.252 1.00 0.00 C ATOM 446 O PHE A 30 5.941 -1.209 -5.112 1.00 0.00 O ATOM 447 CB PHE A 30 3.660 1.035 -5.085 1.00 0.00 C ATOM 448 CG PHE A 30 2.574 0.313 -4.350 1.00 0.00 C ATOM 449 CD1 PHE A 30 1.935 0.904 -3.272 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.207 -0.963 -4.727 1.00 0.00 C ATOM 451 CE1 PHE A 30 0.943 0.230 -2.586 1.00 0.00 C ATOM 452 CE2 PHE A 30 1.220 -1.641 -4.044 1.00 0.00 C ATOM 453 CZ PHE A 30 0.586 -1.046 -2.973 1.00 0.00 C ATOM 0 H PHE A 30 5.073 2.986 -4.608 1.00 0.00 H new ATOM 0 HA PHE A 30 4.892 0.442 -3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.401 2.091 -5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.723 0.648 -6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.215 1.901 -2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.698 -1.435 -5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.448 0.700 -1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.943 -2.640 -4.348 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.188 -1.577 -2.439 1.00 0.00 H new ATOM 463 N GLN A 31 6.702 0.651 -6.125 1.00 0.00 N ATOM 464 CA GLN A 31 7.635 -0.045 -6.998 1.00 0.00 C ATOM 465 C GLN A 31 8.959 -0.304 -6.286 1.00 0.00 C ATOM 466 O GLN A 31 9.474 -1.422 -6.293 1.00 0.00 O ATOM 467 CB GLN A 31 7.856 0.781 -8.265 1.00 0.00 C ATOM 468 CG GLN A 31 6.606 1.488 -8.757 1.00 0.00 C ATOM 469 CD GLN A 31 6.783 2.101 -10.132 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.556 1.604 -10.950 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.068 3.189 -10.391 1.00 0.00 N ATOM 0 H GLN A 31 6.695 1.664 -6.247 1.00 0.00 H new ATOM 0 HA GLN A 31 7.212 -1.012 -7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.631 1.523 -8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.228 0.127 -9.054 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.779 0.778 -8.784 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.333 2.269 -8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.439 3.567 -9.682 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.147 3.647 -11.299 1.00 0.00 H new ATOM 480 N MET A 32 9.504 0.740 -5.672 1.00 0.00 N ATOM 481 CA MET A 32 10.770 0.638 -4.956 1.00 0.00 C ATOM 482 C MET A 32 10.620 -0.138 -3.644 1.00 0.00 C ATOM 483 O MET A 32 11.572 -0.757 -3.169 1.00 0.00 O ATOM 484 CB MET A 32 11.324 2.038 -4.699 1.00 0.00 C ATOM 485 CG MET A 32 11.307 2.905 -5.947 1.00 0.00 C ATOM 486 SD MET A 32 12.109 4.503 -5.721 1.00 0.00 S ATOM 487 CE MET A 32 11.967 5.188 -7.370 1.00 0.00 C ATOM 0 H MET A 32 9.087 1.671 -5.656 1.00 0.00 H new ATOM 0 HA MET A 32 11.471 0.080 -5.576 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.738 2.520 -3.917 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.346 1.959 -4.328 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.801 2.370 -6.758 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.274 3.066 -6.254 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.419 6.179 -7.392 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.481 4.539 -8.079 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.915 5.263 -7.643 1.00 0.00 H new ATOM 497 N VAL A 33 9.423 -0.100 -3.066 1.00 0.00 N ATOM 498 CA VAL A 33 9.149 -0.799 -1.810 1.00 0.00 C ATOM 499 C VAL A 33 9.212 -2.309 -1.999 1.00 0.00 C ATOM 500 O VAL A 33 9.483 -3.053 -1.060 1.00 0.00 O ATOM 501 CB VAL A 33 7.759 -0.425 -1.254 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.669 -0.904 -2.191 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.558 -1.017 0.118 1.00 0.00 C ATOM 0 H VAL A 33 8.624 0.408 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 33 9.916 -0.489 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 33 7.704 0.661 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.695 -0.633 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.798 -0.437 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.729 -1.987 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.572 -0.742 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.634 -2.103 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.323 -0.635 0.795 1.00 0.00 H new ATOM 513 N GLY A 34 8.971 -2.749 -3.222 1.00 0.00 N ATOM 514 CA GLY A 34 9.014 -4.169 -3.521 1.00 0.00 C ATOM 515 C GLY A 34 7.643 -4.824 -3.524 1.00 0.00 C ATOM 516 O GLY A 34 7.540 -6.048 -3.444 1.00 0.00 O ATOM 0 H GLY A 34 8.746 -2.150 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.481 -4.314 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.646 -4.669 -2.787 1.00 0.00 H new ATOM 520 N LEU A 35 6.592 -4.018 -3.617 1.00 0.00 N ATOM 521 CA LEU A 35 5.231 -4.545 -3.641 1.00 0.00 C ATOM 522 C LEU A 35 4.955 -5.210 -4.982 1.00 0.00 C ATOM 523 O LEU A 35 4.198 -6.175 -5.072 1.00 0.00 O ATOM 524 CB LEU A 35 4.217 -3.428 -3.381 1.00 0.00 C ATOM 525 CG LEU A 35 3.604 -3.424 -1.978 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.381 -1.998 -1.499 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.297 -4.198 -1.975 1.00 0.00 C ATOM 0 H LEU A 35 6.654 -3.002 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 35 5.130 -5.289 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.705 -2.468 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.413 -3.510 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 35 4.298 -3.911 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.945 -2.014 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.334 -1.471 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.704 -1.486 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.871 -4.188 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.598 -3.734 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.483 -5.228 -2.280 1.00 0.00 H new ATOM 539 N LYS A 36 5.581 -4.678 -6.026 1.00 0.00 N ATOM 540 CA LYS A 36 5.434 -5.222 -7.369 1.00 0.00 C ATOM 541 C LYS A 36 6.450 -6.340 -7.621 1.00 0.00 C ATOM 542 O LYS A 36 6.621 -6.784 -8.756 1.00 0.00 O ATOM 543 CB LYS A 36 5.634 -4.116 -8.403 1.00 0.00 C ATOM 544 CG LYS A 36 4.516 -3.079 -8.429 1.00 0.00 C ATOM 545 CD LYS A 36 5.057 -1.666 -8.654 1.00 0.00 C ATOM 546 CE LYS A 36 6.123 -1.631 -9.740 1.00 0.00 C ATOM 547 NZ LYS A 36 5.654 -2.266 -11.001 1.00 0.00 N ATOM 0 H LYS A 36 6.197 -3.867 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 36 4.429 -5.635 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.579 -3.611 -8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.719 -4.568 -9.391 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.808 -3.327 -9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.967 -3.113 -7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.237 -1.003 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.476 -1.285 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.405 -0.597 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.018 -2.144 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.001 -1.720 -11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.018 -3.239 -11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.614 -2.284 -11.015 1.00 0.00 H new ATOM 561 N LYS A 37 7.127 -6.792 -6.561 1.00 0.00 N ATOM 562 CA LYS A 37 8.131 -7.836 -6.677 1.00 0.00 C ATOM 563 C LYS A 37 7.621 -9.014 -7.506 1.00 0.00 C ATOM 564 O LYS A 37 8.134 -9.286 -8.591 1.00 0.00 O ATOM 565 CB LYS A 37 8.542 -8.313 -5.285 1.00 0.00 C ATOM 566 CG LYS A 37 9.526 -9.469 -5.308 1.00 0.00 C ATOM 567 CD LYS A 37 9.848 -9.962 -3.906 1.00 0.00 C ATOM 568 CE LYS A 37 11.029 -10.918 -3.913 1.00 0.00 C ATOM 569 NZ LYS A 37 10.872 -11.992 -4.933 1.00 0.00 N ATOM 0 H LYS A 37 6.992 -6.445 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 37 8.997 -7.418 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.985 -7.480 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.651 -8.616 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.111 -10.288 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.445 -9.155 -5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.070 -9.111 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.976 -10.462 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.945 -10.361 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.137 -11.368 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.268 -12.880 -4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.862 -12.125 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.375 -11.722 -5.802 1.00 0.00 H new ATOM 583 N LYS A 38 6.615 -9.710 -6.988 1.00 0.00 N ATOM 584 CA LYS A 38 6.051 -10.861 -7.687 1.00 0.00 C ATOM 585 C LYS A 38 4.681 -10.536 -8.285 1.00 0.00 C ATOM 586 O LYS A 38 4.589 -10.082 -9.425 1.00 0.00 O ATOM 587 CB LYS A 38 5.940 -12.055 -6.739 1.00 0.00 C ATOM 588 CG LYS A 38 7.274 -12.625 -6.305 1.00 0.00 C ATOM 589 CD LYS A 38 7.102 -13.524 -5.098 1.00 0.00 C ATOM 590 CE LYS A 38 7.335 -12.763 -3.805 1.00 0.00 C ATOM 591 NZ LYS A 38 7.295 -13.659 -2.619 1.00 0.00 N ATOM 0 H LYS A 38 6.175 -9.500 -6.092 1.00 0.00 H new ATOM 0 HA LYS A 38 6.724 -11.115 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.381 -11.752 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.363 -12.840 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.719 -13.189 -7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.962 -11.814 -6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.097 -13.947 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.800 -14.359 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.302 -12.261 -3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.577 -11.987 -3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.748 -13.186 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.306 -13.878 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.803 -14.541 -2.833 1.00 0.00 H new ATOM 605 N SER A 39 3.620 -10.767 -7.512 1.00 0.00 N ATOM 606 CA SER A 39 2.267 -10.503 -7.984 1.00 0.00 C ATOM 607 C SER A 39 1.389 -9.968 -6.858 1.00 0.00 C ATOM 608 O SER A 39 1.848 -9.791 -5.730 1.00 0.00 O ATOM 609 CB SER A 39 1.651 -11.777 -8.566 1.00 0.00 C ATOM 610 OG SER A 39 2.424 -12.269 -9.646 1.00 0.00 O ATOM 0 H SER A 39 3.674 -11.134 -6.562 1.00 0.00 H new ATOM 0 HA SER A 39 2.324 -9.744 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.580 -12.538 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.636 -11.572 -8.905 1.00 0.00 H new ATOM 0 HG SER A 39 2.011 -13.084 -10.000 1.00 0.00 H new ATOM 616 N ALA A 40 0.124 -9.714 -7.173 1.00 0.00 N ATOM 617 CA ALA A 40 -0.818 -9.202 -6.192 1.00 0.00 C ATOM 618 C ALA A 40 -1.082 -10.226 -5.089 1.00 0.00 C ATOM 619 O ALA A 40 -1.541 -9.875 -4.002 1.00 0.00 O ATOM 620 CB ALA A 40 -2.116 -8.816 -6.878 1.00 0.00 C ATOM 0 H ALA A 40 -0.271 -9.856 -8.103 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.381 -8.319 -5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.819 -8.433 -6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.918 -8.046 -7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.544 -9.692 -7.366 1.00 0.00 H new ATOM 626 N ASP A 41 -0.793 -11.493 -5.373 1.00 0.00 N ATOM 627 CA ASP A 41 -1.007 -12.563 -4.403 1.00 0.00 C ATOM 628 C ASP A 41 -0.114 -12.385 -3.177 1.00 0.00 C ATOM 629 O ASP A 41 -0.567 -12.540 -2.042 1.00 0.00 O ATOM 630 CB ASP A 41 -0.734 -13.923 -5.049 1.00 0.00 C ATOM 631 CG ASP A 41 -1.477 -14.100 -6.358 1.00 0.00 C ATOM 632 OD1 ASP A 41 -2.683 -14.420 -6.320 1.00 0.00 O ATOM 633 OD2 ASP A 41 -0.851 -13.922 -7.424 1.00 0.00 O ATOM 0 H ASP A 41 -0.410 -11.804 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.047 -12.518 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.336 -14.031 -5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.025 -14.715 -4.359 1.00 0.00 H new ATOM 638 N ASP A 42 1.153 -12.061 -3.411 1.00 0.00 N ATOM 639 CA ASP A 42 2.109 -11.869 -2.324 1.00 0.00 C ATOM 640 C ASP A 42 1.761 -10.635 -1.496 1.00 0.00 C ATOM 641 O ASP A 42 1.653 -10.707 -0.272 1.00 0.00 O ATOM 642 CB ASP A 42 3.526 -11.740 -2.883 1.00 0.00 C ATOM 643 CG ASP A 42 3.970 -12.986 -3.624 1.00 0.00 C ATOM 644 OD1 ASP A 42 4.500 -13.910 -2.971 1.00 0.00 O ATOM 645 OD2 ASP A 42 3.788 -13.038 -4.859 1.00 0.00 O ATOM 0 H ASP A 42 1.543 -11.926 -4.344 1.00 0.00 H new ATOM 0 HA ASP A 42 2.058 -12.742 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.572 -10.884 -3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.219 -11.540 -2.066 1.00 0.00 H new ATOM 650 N VAL A 43 1.588 -9.505 -2.172 1.00 0.00 N ATOM 651 CA VAL A 43 1.248 -8.256 -1.500 1.00 0.00 C ATOM 652 C VAL A 43 -0.022 -8.412 -0.675 1.00 0.00 C ATOM 653 O VAL A 43 -0.148 -7.847 0.409 1.00 0.00 O ATOM 654 CB VAL A 43 1.061 -7.107 -2.506 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.350 -6.847 -3.269 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.079 -7.420 -3.459 1.00 0.00 C ATOM 0 H VAL A 43 1.678 -9.428 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 43 2.081 -8.012 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 43 0.808 -6.201 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.197 -6.031 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.140 -6.577 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.639 -7.747 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.199 -6.598 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.144 -8.337 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.001 -7.550 -2.893 1.00 0.00 H new ATOM 666 N LYS A 44 -0.957 -9.206 -1.180 1.00 0.00 N ATOM 667 CA LYS A 44 -2.221 -9.427 -0.491 1.00 0.00 C ATOM 668 C LYS A 44 -1.984 -9.790 0.971 1.00 0.00 C ATOM 669 O LYS A 44 -2.798 -9.474 1.838 1.00 0.00 O ATOM 670 CB LYS A 44 -3.021 -10.532 -1.182 1.00 0.00 C ATOM 671 CG LYS A 44 -4.216 -10.015 -1.966 1.00 0.00 C ATOM 672 CD LYS A 44 -5.080 -11.148 -2.483 1.00 0.00 C ATOM 673 CE LYS A 44 -5.505 -12.085 -1.362 1.00 0.00 C ATOM 674 NZ LYS A 44 -6.519 -13.074 -1.820 1.00 0.00 N ATOM 0 H LYS A 44 -0.864 -9.707 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.794 -8.500 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.362 -11.079 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.368 -11.242 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.814 -9.363 -1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.868 -9.411 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.965 -10.738 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.531 -11.710 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.631 -12.612 -0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.913 -11.502 -0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.782 -13.694 -1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.363 -12.572 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.121 -13.648 -2.591 1.00 0.00 H new ATOM 688 N LYS A 45 -0.861 -10.443 1.241 1.00 0.00 N ATOM 689 CA LYS A 45 -0.533 -10.849 2.596 1.00 0.00 C ATOM 690 C LYS A 45 -0.449 -9.631 3.493 1.00 0.00 C ATOM 691 O LYS A 45 -1.100 -9.575 4.535 1.00 0.00 O ATOM 692 CB LYS A 45 0.781 -11.632 2.628 1.00 0.00 C ATOM 693 CG LYS A 45 0.604 -13.121 2.378 1.00 0.00 C ATOM 694 CD LYS A 45 0.011 -13.389 1.005 1.00 0.00 C ATOM 695 CE LYS A 45 -0.110 -14.879 0.731 1.00 0.00 C ATOM 696 NZ LYS A 45 -0.912 -15.576 1.774 1.00 0.00 N ATOM 0 H LYS A 45 -0.166 -10.701 0.540 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.322 -11.505 2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.457 -11.223 1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.257 -11.488 3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.568 -13.622 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.045 -13.545 3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.973 -12.924 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.636 -12.927 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.573 -15.032 -0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.885 -15.321 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.142 -16.537 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.363 -15.629 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.792 -15.049 1.945 1.00 0.00 H new ATOM 710 N VAL A 46 0.343 -8.641 3.080 1.00 0.00 N ATOM 711 CA VAL A 46 0.478 -7.425 3.856 1.00 0.00 C ATOM 712 C VAL A 46 -0.894 -6.816 4.105 1.00 0.00 C ATOM 713 O VAL A 46 -1.106 -6.105 5.087 1.00 0.00 O ATOM 714 CB VAL A 46 1.394 -6.389 3.180 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.787 -5.859 1.902 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.702 -5.259 4.140 1.00 0.00 C ATOM 0 H VAL A 46 0.892 -8.663 2.221 1.00 0.00 H new ATOM 0 HA VAL A 46 0.945 -7.698 4.803 1.00 0.00 H new ATOM 0 HB VAL A 46 2.326 -6.887 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.462 -5.130 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.628 -6.683 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.167 -5.381 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.351 -4.532 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.774 -4.773 4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.204 -5.657 5.022 1.00 0.00 H new ATOM 726 N PHE A 47 -1.825 -7.102 3.196 1.00 0.00 N ATOM 727 CA PHE A 47 -3.180 -6.596 3.308 1.00 0.00 C ATOM 728 C PHE A 47 -3.830 -7.095 4.594 1.00 0.00 C ATOM 729 O PHE A 47 -4.448 -6.332 5.329 1.00 0.00 O ATOM 730 CB PHE A 47 -4.010 -7.035 2.114 1.00 0.00 C ATOM 731 CG PHE A 47 -5.149 -6.107 1.791 1.00 0.00 C ATOM 732 CD1 PHE A 47 -6.014 -5.680 2.781 1.00 0.00 C ATOM 733 CD2 PHE A 47 -5.350 -5.658 0.497 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.055 -4.829 2.495 1.00 0.00 C ATOM 735 CE2 PHE A 47 -6.396 -4.802 0.205 1.00 0.00 C ATOM 736 CZ PHE A 47 -7.245 -4.389 1.207 1.00 0.00 C ATOM 0 H PHE A 47 -1.659 -7.683 2.374 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.136 -5.507 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.361 -7.115 1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.409 -8.031 2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.870 -6.020 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.685 -5.979 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.722 -4.507 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.547 -4.458 -0.808 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.061 -3.719 0.981 1.00 0.00 H new ATOM 746 N HIS A 48 -3.678 -8.386 4.859 1.00 0.00 N ATOM 747 CA HIS A 48 -4.255 -8.994 6.051 1.00 0.00 C ATOM 748 C HIS A 48 -3.531 -8.507 7.297 1.00 0.00 C ATOM 749 O HIS A 48 -4.157 -8.221 8.316 1.00 0.00 O ATOM 750 CB HIS A 48 -4.188 -10.519 5.962 1.00 0.00 C ATOM 751 CG HIS A 48 -4.889 -11.080 4.763 1.00 0.00 C ATOM 752 ND1 HIS A 48 -6.223 -11.429 4.765 1.00 0.00 N ATOM 753 CD2 HIS A 48 -4.434 -11.350 3.516 1.00 0.00 C ATOM 754 CE1 HIS A 48 -6.559 -11.888 3.572 1.00 0.00 C ATOM 755 NE2 HIS A 48 -5.491 -11.851 2.798 1.00 0.00 N ATOM 0 H HIS A 48 -3.160 -9.033 4.264 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.302 -8.697 6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.143 -10.828 5.939 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.627 -10.947 6.863 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.428 -11.199 3.154 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.540 -12.234 3.281 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -5.456 -12.147 1.823 1.00 0.00 H new ATOM 764 N ILE A 49 -2.208 -8.416 7.214 1.00 0.00 N ATOM 765 CA ILE A 49 -1.410 -7.942 8.336 1.00 0.00 C ATOM 766 C ILE A 49 -1.947 -6.606 8.824 1.00 0.00 C ATOM 767 O ILE A 49 -2.187 -6.409 10.016 1.00 0.00 O ATOM 768 CB ILE A 49 0.069 -7.753 7.948 1.00 0.00 C ATOM 769 CG1 ILE A 49 0.578 -8.939 7.130 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.922 -7.557 9.192 1.00 0.00 C ATOM 771 CD1 ILE A 49 0.216 -10.285 7.715 1.00 0.00 C ATOM 0 H ILE A 49 -1.668 -8.663 6.384 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.476 -8.697 9.119 1.00 0.00 H new ATOM 0 HB ILE A 49 0.146 -6.860 7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.174 -8.872 6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.662 -8.870 7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.964 -7.425 8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.581 -6.673 9.732 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.833 -8.432 9.836 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.612 -11.077 7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.643 -10.374 8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.869 -10.376 7.775 1.00 0.00 H new ATOM 783 N LEU A 50 -2.128 -5.692 7.879 1.00 0.00 N ATOM 784 CA LEU A 50 -2.630 -4.366 8.171 1.00 0.00 C ATOM 785 C LEU A 50 -4.152 -4.368 8.321 1.00 0.00 C ATOM 786 O LEU A 50 -4.702 -3.664 9.168 1.00 0.00 O ATOM 787 CB LEU A 50 -2.192 -3.424 7.054 1.00 0.00 C ATOM 788 CG LEU A 50 -2.783 -3.716 5.674 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.102 -2.984 5.478 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.795 -3.329 4.585 1.00 0.00 C ATOM 0 H LEU A 50 -1.930 -5.854 6.892 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.219 -4.025 9.121 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.460 -2.406 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.105 -3.459 6.979 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.978 -4.786 5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.500 -3.210 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.814 -3.307 6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.939 -1.910 5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.229 -3.542 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.571 -2.265 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.876 -3.902 4.707 1.00 0.00 H new ATOM 802 N ASP A 51 -4.828 -5.165 7.496 1.00 0.00 N ATOM 803 CA ASP A 51 -6.286 -5.256 7.538 1.00 0.00 C ATOM 804 C ASP A 51 -6.732 -6.686 7.842 1.00 0.00 C ATOM 805 O ASP A 51 -7.411 -7.321 7.035 1.00 0.00 O ATOM 806 CB ASP A 51 -6.877 -4.801 6.203 1.00 0.00 C ATOM 807 CG ASP A 51 -7.438 -3.395 6.269 1.00 0.00 C ATOM 808 OD1 ASP A 51 -6.766 -2.513 6.843 1.00 0.00 O ATOM 809 OD2 ASP A 51 -8.551 -3.178 5.747 1.00 0.00 O ATOM 0 H ASP A 51 -4.390 -5.757 6.790 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.647 -4.604 8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.106 -4.846 5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.666 -5.491 5.904 1.00 0.00 H new ATOM 814 N LYS A 52 -6.348 -7.185 9.012 1.00 0.00 N ATOM 815 CA LYS A 52 -6.691 -8.543 9.413 1.00 0.00 C ATOM 816 C LYS A 52 -8.177 -8.690 9.750 1.00 0.00 C ATOM 817 O LYS A 52 -8.855 -9.564 9.212 1.00 0.00 O ATOM 818 CB LYS A 52 -5.799 -9.008 10.577 1.00 0.00 C ATOM 819 CG LYS A 52 -6.132 -8.420 11.944 1.00 0.00 C ATOM 820 CD LYS A 52 -5.742 -6.952 12.043 1.00 0.00 C ATOM 821 CE LYS A 52 -5.840 -6.452 13.474 1.00 0.00 C ATOM 822 NZ LYS A 52 -4.902 -7.170 14.381 1.00 0.00 N ATOM 0 H LYS A 52 -5.799 -6.668 9.699 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.502 -9.193 8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.860 -10.094 10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.765 -8.761 10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.200 -8.525 12.133 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.614 -8.986 12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.724 -6.818 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.392 -6.356 11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.624 -5.384 13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.861 -6.580 13.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.732 -6.595 15.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.317 -8.082 14.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.001 -7.335 13.889 1.00 0.00 H new ATOM 836 N ASP A 53 -8.679 -7.837 10.637 1.00 0.00 N ATOM 837 CA ASP A 53 -10.081 -7.897 11.038 1.00 0.00 C ATOM 838 C ASP A 53 -10.842 -6.640 10.623 1.00 0.00 C ATOM 839 O ASP A 53 -11.977 -6.429 11.053 1.00 0.00 O ATOM 840 CB ASP A 53 -10.188 -8.095 12.549 1.00 0.00 C ATOM 841 CG ASP A 53 -11.623 -8.280 13.009 1.00 0.00 C ATOM 842 OD1 ASP A 53 -12.088 -9.438 13.047 1.00 0.00 O ATOM 843 OD2 ASP A 53 -12.278 -7.267 13.332 1.00 0.00 O ATOM 0 H ASP A 53 -8.140 -7.099 11.090 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.534 -8.746 10.527 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.601 -8.966 12.841 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.755 -7.233 13.057 1.00 0.00 H new ATOM 848 N LYS A 54 -10.227 -5.805 9.792 1.00 0.00 N ATOM 849 CA LYS A 54 -10.875 -4.577 9.350 1.00 0.00 C ATOM 850 C LYS A 54 -12.259 -4.864 8.785 1.00 0.00 C ATOM 851 O LYS A 54 -13.269 -4.604 9.438 1.00 0.00 O ATOM 852 CB LYS A 54 -10.016 -3.849 8.322 1.00 0.00 C ATOM 853 CG LYS A 54 -10.709 -2.655 7.682 1.00 0.00 C ATOM 854 CD LYS A 54 -11.135 -1.638 8.727 1.00 0.00 C ATOM 855 CE LYS A 54 -11.750 -0.404 8.084 1.00 0.00 C ATOM 856 NZ LYS A 54 -12.920 -0.746 7.231 1.00 0.00 N ATOM 0 H LYS A 54 -9.291 -5.954 9.415 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.991 -3.929 10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.098 -3.511 8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.726 -4.552 7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.037 -2.183 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.582 -2.994 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.855 -2.093 9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.272 -1.346 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.060 0.294 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.997 0.104 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.488 0.109 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.588 -1.127 6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.504 -1.459 7.713 1.00 0.00 H new ATOM 870 N SER A 55 -12.296 -5.404 7.575 1.00 0.00 N ATOM 871 CA SER A 55 -13.565 -5.735 6.920 1.00 0.00 C ATOM 872 C SER A 55 -13.361 -6.142 5.464 1.00 0.00 C ATOM 873 O SER A 55 -14.185 -5.827 4.605 1.00 0.00 O ATOM 874 CB SER A 55 -14.533 -4.551 6.987 1.00 0.00 C ATOM 875 OG SER A 55 -15.316 -4.591 8.169 1.00 0.00 O ATOM 0 H SER A 55 -11.467 -5.624 7.023 1.00 0.00 H new ATOM 0 HA SER A 55 -13.990 -6.583 7.457 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.972 -3.617 6.952 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.187 -4.563 6.115 1.00 0.00 H new ATOM 0 HG SER A 55 -14.751 -4.384 8.943 1.00 0.00 H new ATOM 881 N GLY A 56 -12.268 -6.841 5.188 1.00 0.00 N ATOM 882 CA GLY A 56 -11.988 -7.273 3.827 1.00 0.00 C ATOM 883 C GLY A 56 -11.754 -6.117 2.866 1.00 0.00 C ATOM 884 O GLY A 56 -11.696 -6.316 1.653 1.00 0.00 O ATOM 0 H GLY A 56 -11.570 -7.118 5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.109 -7.917 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.822 -7.874 3.465 1.00 0.00 H new ATOM 888 N PHE A 57 -11.625 -4.907 3.405 1.00 0.00 N ATOM 889 CA PHE A 57 -11.389 -3.722 2.587 1.00 0.00 C ATOM 890 C PHE A 57 -10.909 -2.571 3.470 1.00 0.00 C ATOM 891 O PHE A 57 -11.349 -2.425 4.610 1.00 0.00 O ATOM 892 CB PHE A 57 -12.646 -3.351 1.786 1.00 0.00 C ATOM 893 CG PHE A 57 -13.674 -2.627 2.577 1.00 0.00 C ATOM 894 CD1 PHE A 57 -13.468 -1.309 2.855 1.00 0.00 C ATOM 895 CD2 PHE A 57 -14.830 -3.246 3.020 1.00 0.00 C ATOM 896 CE1 PHE A 57 -14.397 -0.581 3.570 1.00 0.00 C ATOM 897 CE2 PHE A 57 -15.769 -2.533 3.742 1.00 0.00 C ATOM 898 CZ PHE A 57 -15.553 -1.195 4.018 1.00 0.00 C ATOM 0 H PHE A 57 -11.680 -4.722 4.407 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.605 -3.937 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.354 -2.733 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.088 -4.261 1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.565 -0.827 2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.999 -4.290 2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.222 0.464 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.669 -3.019 4.089 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.283 -0.632 4.581 1.00 0.00 H new ATOM 908 N ILE A 58 -10.008 -1.755 2.933 1.00 0.00 N ATOM 909 CA ILE A 58 -9.435 -0.634 3.684 1.00 0.00 C ATOM 910 C ILE A 58 -10.039 0.681 3.251 1.00 0.00 C ATOM 911 O ILE A 58 -10.277 0.918 2.072 1.00 0.00 O ATOM 912 CB ILE A 58 -7.899 -0.554 3.534 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.308 -1.914 3.142 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.281 -0.069 4.836 1.00 0.00 C ATOM 915 CD1 ILE A 58 -5.842 -1.858 2.782 1.00 0.00 C ATOM 0 H ILE A 58 -9.656 -1.846 1.980 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.673 -0.818 4.732 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.668 0.153 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.444 -2.611 3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.866 -2.312 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.198 -0.014 4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.672 0.919 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.530 -0.764 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.494 -2.856 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.701 -1.187 1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.272 -1.490 3.635 1.00 0.00 H new ATOM 927 N GLU A 59 -10.215 1.558 4.220 1.00 0.00 N ATOM 928 CA GLU A 59 -10.835 2.844 3.988 1.00 0.00 C ATOM 929 C GLU A 59 -9.802 3.949 3.876 1.00 0.00 C ATOM 930 O GLU A 59 -9.009 4.183 4.780 1.00 0.00 O ATOM 931 CB GLU A 59 -11.778 3.140 5.141 1.00 0.00 C ATOM 932 CG GLU A 59 -13.157 2.526 4.981 1.00 0.00 C ATOM 933 CD GLU A 59 -14.075 2.838 6.145 1.00 0.00 C ATOM 934 OE1 GLU A 59 -14.026 2.101 7.153 1.00 0.00 O ATOM 935 OE2 GLU A 59 -14.843 3.816 6.049 1.00 0.00 O ATOM 0 H GLU A 59 -9.933 1.398 5.187 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.380 2.806 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.332 2.772 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.882 4.220 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.609 2.893 4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.059 1.445 4.880 1.00 0.00 H new ATOM 942 N GLU A 60 -9.847 4.625 2.738 1.00 0.00 N ATOM 943 CA GLU A 60 -8.941 5.723 2.433 1.00 0.00 C ATOM 944 C GLU A 60 -8.750 6.651 3.630 1.00 0.00 C ATOM 945 O GLU A 60 -7.680 7.233 3.808 1.00 0.00 O ATOM 946 CB GLU A 60 -9.488 6.504 1.244 1.00 0.00 C ATOM 947 CG GLU A 60 -10.836 7.123 1.530 1.00 0.00 C ATOM 948 CD GLU A 60 -11.136 8.317 0.645 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.770 9.448 1.029 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.738 8.121 -0.431 1.00 0.00 O ATOM 0 H GLU A 60 -10.517 4.426 1.995 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.964 5.305 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.782 7.289 0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.572 5.839 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.612 6.371 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.874 7.432 2.574 1.00 0.00 H new ATOM 957 N ASP A 61 -9.792 6.794 4.444 1.00 0.00 N ATOM 958 CA ASP A 61 -9.732 7.656 5.618 1.00 0.00 C ATOM 959 C ASP A 61 -8.828 7.061 6.689 1.00 0.00 C ATOM 960 O ASP A 61 -7.910 7.718 7.181 1.00 0.00 O ATOM 961 CB ASP A 61 -11.135 7.866 6.184 1.00 0.00 C ATOM 962 CG ASP A 61 -12.062 8.549 5.198 1.00 0.00 C ATOM 963 OD1 ASP A 61 -12.662 7.844 4.360 1.00 0.00 O ATOM 964 OD2 ASP A 61 -12.187 9.791 5.264 1.00 0.00 O ATOM 0 H ASP A 61 -10.687 6.324 4.311 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.316 8.616 5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.557 6.902 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.071 8.465 7.092 1.00 0.00 H new ATOM 969 N GLU A 62 -9.096 5.811 7.045 1.00 0.00 N ATOM 970 CA GLU A 62 -8.298 5.112 8.046 1.00 0.00 C ATOM 971 C GLU A 62 -6.973 4.662 7.436 1.00 0.00 C ATOM 972 O GLU A 62 -6.018 4.354 8.149 1.00 0.00 O ATOM 973 CB GLU A 62 -9.063 3.905 8.595 1.00 0.00 C ATOM 974 CG GLU A 62 -8.331 3.174 9.707 1.00 0.00 C ATOM 975 CD GLU A 62 -9.119 1.995 10.246 1.00 0.00 C ATOM 976 OE1 GLU A 62 -8.971 0.883 9.698 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.884 2.185 11.216 1.00 0.00 O ATOM 0 H GLU A 62 -9.860 5.259 6.655 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.095 5.796 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.032 4.238 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.258 3.208 7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.369 2.823 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.124 3.870 10.520 1.00 0.00 H new ATOM 984 N LEU A 63 -6.935 4.629 6.107 1.00 0.00 N ATOM 985 CA LEU A 63 -5.751 4.239 5.366 1.00 0.00 C ATOM 986 C LEU A 63 -4.515 4.940 5.896 1.00 0.00 C ATOM 987 O LEU A 63 -3.508 4.308 6.208 1.00 0.00 O ATOM 988 CB LEU A 63 -5.971 4.582 3.905 1.00 0.00 C ATOM 989 CG LEU A 63 -5.645 3.472 2.919 1.00 0.00 C ATOM 990 CD1 LEU A 63 -4.166 3.125 2.964 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.497 2.250 3.199 1.00 0.00 C ATOM 0 H LEU A 63 -7.730 4.874 5.517 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.587 3.168 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.013 4.870 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.365 5.454 3.659 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.874 3.826 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.957 2.328 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.578 4.006 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.901 2.792 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.252 1.464 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.302 1.895 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.551 2.511 3.103 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.617 6.249 6.013 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.509 7.037 6.505 1.00 0.00 C ATOM 1005 C GLY A 64 -3.015 6.540 7.842 1.00 0.00 C ATOM 1006 O GLY A 64 -1.843 6.703 8.183 1.00 0.00 O ATOM 0 H GLY A 64 -5.451 6.785 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.693 7.007 5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.816 8.079 6.596 1.00 0.00 H new ATOM 1010 N SER A 65 -3.914 5.935 8.605 1.00 0.00 N ATOM 1011 CA SER A 65 -3.564 5.388 9.904 1.00 0.00 C ATOM 1012 C SER A 65 -2.913 4.024 9.726 1.00 0.00 C ATOM 1013 O SER A 65 -1.742 3.834 10.029 1.00 0.00 O ATOM 1014 CB SER A 65 -4.810 5.267 10.783 1.00 0.00 C ATOM 1015 OG SER A 65 -5.436 6.526 10.958 1.00 0.00 O ATOM 0 H SER A 65 -4.892 5.811 8.345 1.00 0.00 H new ATOM 0 HA SER A 65 -2.859 6.060 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.513 4.568 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.535 4.856 11.754 1.00 0.00 H new ATOM 0 HG SER A 65 -6.230 6.421 11.522 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.672 3.090 9.177 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.178 1.739 8.952 1.00 0.00 C ATOM 1023 C ILE A 66 -1.904 1.746 8.100 1.00 0.00 C ATOM 1024 O ILE A 66 -1.170 0.758 8.062 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.251 0.866 8.276 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -3.756 -0.562 8.117 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.636 1.456 6.933 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.186 -1.152 9.389 1.00 0.00 C ATOM 0 H ILE A 66 -4.635 3.242 8.878 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.940 1.315 9.927 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.137 0.847 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.580 -1.187 7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.992 -0.588 7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.395 0.830 6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.033 2.461 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.757 1.502 6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.853 -2.172 9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.340 -0.550 9.722 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.954 -1.159 10.163 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.647 2.864 7.417 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.460 3.011 6.583 1.00 0.00 C ATOM 1042 C LEU A 67 0.796 2.512 7.286 1.00 0.00 C ATOM 1043 O LEU A 67 1.575 1.740 6.717 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.292 4.489 6.233 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.454 4.840 4.752 1.00 0.00 C ATOM 1046 CD1 LEU A 67 0.730 4.324 3.951 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -1.757 4.279 4.198 1.00 0.00 C ATOM 0 H LEU A 67 -2.253 3.685 7.428 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.594 2.409 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.019 5.065 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.697 4.811 6.558 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.488 5.926 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.599 4.582 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.648 4.779 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.794 3.241 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.848 4.542 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.759 3.194 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.598 4.698 4.750 1.00 0.00 H new ATOM 1059 N LYS A 68 0.981 2.929 8.535 1.00 0.00 N ATOM 1060 CA LYS A 68 2.162 2.546 9.286 1.00 0.00 C ATOM 1061 C LYS A 68 2.443 1.043 9.260 1.00 0.00 C ATOM 1062 O LYS A 68 3.525 0.620 9.655 1.00 0.00 O ATOM 1063 CB LYS A 68 2.088 3.075 10.712 1.00 0.00 C ATOM 1064 CG LYS A 68 0.696 3.120 11.301 1.00 0.00 C ATOM 1065 CD LYS A 68 -0.049 1.808 11.121 1.00 0.00 C ATOM 1066 CE LYS A 68 0.618 0.677 11.886 1.00 0.00 C ATOM 1067 NZ LYS A 68 -0.146 -0.595 11.771 1.00 0.00 N ATOM 0 H LYS A 68 0.330 3.528 9.042 1.00 0.00 H new ATOM 0 HA LYS A 68 3.011 3.010 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.717 2.452 11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.509 4.080 10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.761 3.356 12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.130 3.924 10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.077 1.923 11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.092 1.556 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.629 0.529 11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.708 0.953 12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.341 -1.342 12.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.103 -0.461 12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.211 -0.872 10.771 1.00 0.00 H new ATOM 1081 N GLY A 69 1.491 0.216 8.814 1.00 0.00 N ATOM 1082 CA GLY A 69 1.769 -1.212 8.724 1.00 0.00 C ATOM 1083 C GLY A 69 3.099 -1.450 8.030 1.00 0.00 C ATOM 1084 O GLY A 69 3.987 -2.116 8.565 1.00 0.00 O ATOM 0 H GLY A 69 0.556 0.501 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.789 -1.649 9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.970 -1.710 8.174 1.00 0.00 H new ATOM 1088 N PHE A 70 3.221 -0.894 6.829 1.00 0.00 N ATOM 1089 CA PHE A 70 4.452 -0.974 6.054 1.00 0.00 C ATOM 1090 C PHE A 70 5.233 0.327 6.244 1.00 0.00 C ATOM 1091 O PHE A 70 6.458 0.345 6.354 1.00 0.00 O ATOM 1092 CB PHE A 70 4.148 -1.191 4.570 1.00 0.00 C ATOM 1093 CG PHE A 70 2.970 -0.409 4.064 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.681 -0.894 4.220 1.00 0.00 C ATOM 1095 CD2 PHE A 70 3.152 0.806 3.424 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.596 -0.178 3.751 1.00 0.00 C ATOM 1097 CE2 PHE A 70 2.073 1.525 2.952 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.792 1.033 3.115 1.00 0.00 C ATOM 0 H PHE A 70 2.472 -0.377 6.368 1.00 0.00 H new ATOM 0 HA PHE A 70 5.043 -1.821 6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.028 -0.920 3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.967 -2.252 4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.523 -1.842 4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.151 1.195 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.404 -0.565 3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.229 2.471 2.456 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.054 1.594 2.746 1.00 0.00 H new ATOM 1108 N SER A 71 4.463 1.407 6.269 1.00 0.00 N ATOM 1109 CA SER A 71 4.950 2.772 6.438 1.00 0.00 C ATOM 1110 C SER A 71 5.392 3.077 7.869 1.00 0.00 C ATOM 1111 O SER A 71 5.743 4.214 8.174 1.00 0.00 O ATOM 1112 CB SER A 71 3.871 3.767 6.021 1.00 0.00 C ATOM 1113 OG SER A 71 4.226 5.083 6.397 1.00 0.00 O ATOM 0 H SER A 71 3.449 1.357 6.169 1.00 0.00 H new ATOM 0 HA SER A 71 5.828 2.870 5.799 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.725 3.720 4.942 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.922 3.496 6.484 1.00 0.00 H new ATOM 0 HG SER A 71 3.743 5.725 5.836 1.00 0.00 H new ATOM 1119 N SER A 72 5.336 2.095 8.763 1.00 0.00 N ATOM 1120 CA SER A 72 5.724 2.321 10.158 1.00 0.00 C ATOM 1121 C SER A 72 7.041 3.096 10.251 1.00 0.00 C ATOM 1122 O SER A 72 7.296 3.780 11.243 1.00 0.00 O ATOM 1123 CB SER A 72 5.859 0.987 10.899 1.00 0.00 C ATOM 1124 OG SER A 72 4.737 0.744 11.729 1.00 0.00 O ATOM 0 H SER A 72 5.030 1.145 8.554 1.00 0.00 H new ATOM 0 HA SER A 72 4.940 2.916 10.626 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.963 0.177 10.178 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.766 0.994 11.503 1.00 0.00 H new ATOM 0 HG SER A 72 4.016 0.349 11.196 1.00 0.00 H new ATOM 1130 N ASP A 73 7.869 2.986 9.220 1.00 0.00 N ATOM 1131 CA ASP A 73 9.139 3.704 9.181 1.00 0.00 C ATOM 1132 C ASP A 73 9.190 4.640 7.971 1.00 0.00 C ATOM 1133 O ASP A 73 10.266 4.981 7.480 1.00 0.00 O ATOM 1134 CB ASP A 73 10.304 2.726 9.150 1.00 0.00 C ATOM 1135 CG ASP A 73 10.267 1.746 10.304 1.00 0.00 C ATOM 1136 OD1 ASP A 73 9.507 0.757 10.220 1.00 0.00 O ATOM 1137 OD2 ASP A 73 10.997 1.966 11.294 1.00 0.00 O ATOM 0 H ASP A 73 7.685 2.408 8.400 1.00 0.00 H new ATOM 0 HA ASP A 73 9.221 4.307 10.085 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.288 2.176 8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.242 3.281 9.178 1.00 0.00 H new ATOM 1142 N ALA A 74 8.011 5.047 7.502 1.00 0.00 N ATOM 1143 CA ALA A 74 7.885 5.938 6.350 1.00 0.00 C ATOM 1144 C ALA A 74 6.877 7.053 6.644 1.00 0.00 C ATOM 1145 O ALA A 74 6.644 7.394 7.803 1.00 0.00 O ATOM 1146 CB ALA A 74 7.458 5.151 5.116 1.00 0.00 C ATOM 0 H ALA A 74 7.118 4.769 7.909 1.00 0.00 H new ATOM 0 HA ALA A 74 8.857 6.392 6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.368 5.828 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.204 4.388 4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.496 4.674 5.303 1.00 0.00 H new ATOM 1152 N ARG A 75 6.281 7.621 5.595 1.00 0.00 N ATOM 1153 CA ARG A 75 5.298 8.688 5.765 1.00 0.00 C ATOM 1154 C ARG A 75 3.873 8.161 5.618 1.00 0.00 C ATOM 1155 O ARG A 75 3.655 7.050 5.139 1.00 0.00 O ATOM 1156 CB ARG A 75 5.540 9.810 4.759 1.00 0.00 C ATOM 1157 CG ARG A 75 6.821 10.585 5.013 1.00 0.00 C ATOM 1158 CD ARG A 75 6.928 11.796 4.102 1.00 0.00 C ATOM 1159 NE ARG A 75 5.735 12.635 4.171 1.00 0.00 N ATOM 1160 CZ ARG A 75 5.468 13.456 5.181 1.00 0.00 C ATOM 1161 NH1 ARG A 75 6.307 13.546 6.205 1.00 0.00 N ATOM 1162 NH2 ARG A 75 4.362 14.188 5.169 1.00 0.00 N ATOM 0 H ARG A 75 6.461 7.361 4.625 1.00 0.00 H new ATOM 0 HA ARG A 75 5.416 9.082 6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.574 9.386 3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.696 10.499 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.852 10.907 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.680 9.933 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.802 12.384 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.081 11.465 3.075 1.00 0.00 H new ATOM 0 HE ARG A 75 5.069 12.588 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.158 12.984 6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.101 14.177 6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.715 14.121 4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.159 14.818 5.945 1.00 0.00 H new ATOM 1176 N ASP A 76 2.907 8.980 6.019 1.00 0.00 N ATOM 1177 CA ASP A 76 1.495 8.602 5.955 1.00 0.00 C ATOM 1178 C ASP A 76 0.827 9.156 4.698 1.00 0.00 C ATOM 1179 O ASP A 76 1.332 10.085 4.066 1.00 0.00 O ATOM 1180 CB ASP A 76 0.760 9.114 7.195 1.00 0.00 C ATOM 1181 CG ASP A 76 1.311 8.526 8.476 1.00 0.00 C ATOM 1182 OD1 ASP A 76 0.827 7.452 8.893 1.00 0.00 O ATOM 1183 OD2 ASP A 76 2.230 9.137 9.063 1.00 0.00 O ATOM 0 H ASP A 76 3.074 9.914 6.394 1.00 0.00 H new ATOM 0 HA ASP A 76 1.441 7.514 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.835 10.201 7.236 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.299 8.870 7.113 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.314 8.573 4.348 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.076 8.988 3.175 1.00 0.00 C ATOM 1190 C LEU A 77 -1.843 10.278 3.459 1.00 0.00 C ATOM 1191 O LEU A 77 -2.621 10.345 4.411 1.00 0.00 O ATOM 1192 CB LEU A 77 -2.056 7.880 2.783 1.00 0.00 C ATOM 1193 CG LEU A 77 -1.950 7.395 1.339 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -0.527 6.961 1.023 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -2.920 6.254 1.092 1.00 0.00 C ATOM 0 H LEU A 77 -0.736 7.803 4.867 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.382 9.171 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.901 7.029 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.071 8.238 2.955 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.211 8.222 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.472 6.619 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.150 7.804 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.238 6.149 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.832 5.919 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.687 5.427 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.938 6.595 1.278 1.00 0.00 H new ATOM 1207 N SER A 78 -1.626 11.299 2.632 1.00 0.00 N ATOM 1208 CA SER A 78 -2.309 12.574 2.813 1.00 0.00 C ATOM 1209 C SER A 78 -3.441 12.717 1.804 1.00 0.00 C ATOM 1210 O SER A 78 -3.826 11.751 1.151 1.00 0.00 O ATOM 1211 CB SER A 78 -1.321 13.731 2.659 1.00 0.00 C ATOM 1212 OG SER A 78 -1.969 14.981 2.828 1.00 0.00 O ATOM 0 H SER A 78 -0.988 11.267 1.837 1.00 0.00 H new ATOM 0 HA SER A 78 -2.730 12.601 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.521 13.630 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.857 13.689 1.674 1.00 0.00 H new ATOM 0 HG SER A 78 -2.500 14.966 3.652 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.976 13.926 1.687 1.00 0.00 N ATOM 1219 CA ALA A 79 -5.059 14.190 0.748 1.00 0.00 C ATOM 1220 C ALA A 79 -4.700 13.689 -0.645 1.00 0.00 C ATOM 1221 O ALA A 79 -5.470 12.973 -1.285 1.00 0.00 O ATOM 1222 CB ALA A 79 -5.351 15.679 0.702 1.00 0.00 C ATOM 0 H ALA A 79 -3.679 14.737 2.229 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.948 13.658 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.161 15.869 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.643 16.023 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.458 16.215 0.381 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.517 14.082 -1.102 1.00 0.00 N ATOM 1229 CA LYS A 80 -3.027 13.690 -2.419 1.00 0.00 C ATOM 1230 C LYS A 80 -2.897 12.175 -2.549 1.00 0.00 C ATOM 1231 O LYS A 80 -3.466 11.570 -3.453 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.658 14.323 -2.668 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.690 15.838 -2.776 1.00 0.00 C ATOM 1234 CD LYS A 80 -0.298 16.403 -3.015 1.00 0.00 C ATOM 1235 CE LYS A 80 -0.338 17.903 -3.259 1.00 0.00 C ATOM 1236 NZ LYS A 80 1.023 18.468 -3.476 1.00 0.00 N ATOM 0 H LYS A 80 -2.875 14.676 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.752 14.038 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.985 14.041 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.240 13.912 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.350 16.133 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.105 16.262 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.335 16.191 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.155 15.906 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.961 18.113 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.804 18.397 -2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.952 19.493 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.610 18.291 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.459 18.015 -4.305 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.154 11.572 -1.630 1.00 0.00 N ATOM 1251 CA GLU A 81 -1.917 10.133 -1.644 1.00 0.00 C ATOM 1252 C GLU A 81 -3.191 9.353 -1.375 1.00 0.00 C ATOM 1253 O GLU A 81 -3.380 8.267 -1.909 1.00 0.00 O ATOM 1254 CB GLU A 81 -0.859 9.769 -0.604 1.00 0.00 C ATOM 1255 CG GLU A 81 0.445 10.532 -0.772 1.00 0.00 C ATOM 1256 CD GLU A 81 1.109 10.856 0.552 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.566 11.697 1.300 1.00 0.00 O ATOM 1258 OE2 GLU A 81 2.172 10.271 0.844 1.00 0.00 O ATOM 0 H GLU A 81 -1.701 12.062 -0.859 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.562 9.864 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.258 9.963 0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.655 8.700 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.130 9.943 -1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.252 11.458 -1.313 1.00 0.00 H new ATOM 1265 N THR A 82 -4.056 9.877 -0.529 1.00 0.00 N ATOM 1266 CA THR A 82 -5.304 9.192 -0.254 1.00 0.00 C ATOM 1267 C THR A 82 -6.079 9.071 -1.558 1.00 0.00 C ATOM 1268 O THR A 82 -6.531 7.987 -1.951 1.00 0.00 O ATOM 1269 CB THR A 82 -6.143 9.970 0.776 1.00 0.00 C ATOM 1270 OG1 THR A 82 -5.426 10.074 2.013 1.00 0.00 O ATOM 1271 CG2 THR A 82 -7.478 9.292 1.018 1.00 0.00 C ATOM 0 H THR A 82 -3.923 10.756 -0.029 1.00 0.00 H new ATOM 0 HA THR A 82 -5.092 8.206 0.160 1.00 0.00 H new ATOM 0 HB THR A 82 -6.330 10.966 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.622 10.619 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.049 9.864 1.750 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.035 9.241 0.082 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.311 8.283 1.396 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.182 10.205 -2.240 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.857 10.284 -3.521 1.00 0.00 C ATOM 1281 C LYS A 83 -6.015 9.645 -4.621 1.00 0.00 C ATOM 1282 O LYS A 83 -6.541 9.207 -5.640 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.161 11.740 -3.872 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.070 12.425 -2.865 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.374 11.662 -2.688 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.089 11.466 -4.016 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.392 10.767 -3.846 1.00 0.00 N ATOM 0 H LYS A 83 -5.799 11.093 -1.917 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.795 9.735 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.224 12.293 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.627 11.779 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.559 12.503 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.283 13.441 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.170 10.691 -2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.023 12.204 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.256 12.436 -4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.453 10.891 -4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.848 10.653 -4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.231 9.831 -3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.008 11.328 -3.224 1.00 0.00 H new ATOM 1301 N THR A 84 -4.698 9.606 -4.425 1.00 0.00 N ATOM 1302 CA THR A 84 -3.813 9.040 -5.430 1.00 0.00 C ATOM 1303 C THR A 84 -3.668 7.531 -5.281 1.00 0.00 C ATOM 1304 O THR A 84 -3.980 6.770 -6.195 1.00 0.00 O ATOM 1305 CB THR A 84 -2.411 9.682 -5.390 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.509 11.094 -5.609 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.500 9.071 -6.446 1.00 0.00 C ATOM 0 H THR A 84 -4.229 9.956 -3.589 1.00 0.00 H new ATOM 0 HA THR A 84 -4.279 9.258 -6.391 1.00 0.00 H new ATOM 0 HB THR A 84 -1.983 9.492 -4.406 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.911 11.520 -4.823 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.518 9.542 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.399 8.001 -6.265 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.930 9.232 -7.435 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.252 7.106 -4.103 1.00 0.00 N ATOM 1316 CA LEU A 85 -3.016 5.695 -3.835 1.00 0.00 C ATOM 1317 C LEU A 85 -4.298 4.876 -3.721 1.00 0.00 C ATOM 1318 O LEU A 85 -4.405 3.816 -4.339 1.00 0.00 O ATOM 1319 CB LEU A 85 -2.178 5.540 -2.571 1.00 0.00 C ATOM 1320 CG LEU A 85 -0.677 5.749 -2.769 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.100 4.647 -3.643 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.404 7.113 -3.382 1.00 0.00 C ATOM 0 H LEU A 85 -3.069 7.720 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.475 5.300 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.535 6.251 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.341 4.542 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.191 5.708 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.970 4.810 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.264 3.681 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.591 4.659 -4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.670 7.244 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.901 7.183 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.785 7.892 -2.721 1.00 0.00 H new ATOM 1334 N MET A 86 -5.274 5.340 -2.946 1.00 0.00 N ATOM 1335 CA MET A 86 -6.506 4.571 -2.787 1.00 0.00 C ATOM 1336 C MET A 86 -7.459 4.797 -3.949 1.00 0.00 C ATOM 1337 O MET A 86 -7.940 3.842 -4.553 1.00 0.00 O ATOM 1338 CB MET A 86 -7.186 4.889 -1.453 1.00 0.00 C ATOM 1339 CG MET A 86 -6.204 5.257 -0.344 1.00 0.00 C ATOM 1340 SD MET A 86 -4.745 4.182 -0.310 1.00 0.00 S ATOM 1341 CE MET A 86 -5.522 2.569 -0.295 1.00 0.00 C ATOM 0 H MET A 86 -5.241 6.220 -2.431 1.00 0.00 H new ATOM 0 HA MET A 86 -6.233 3.516 -2.785 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.885 5.713 -1.597 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.772 4.026 -1.138 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.885 6.291 -0.476 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.713 5.201 0.618 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.902 1.872 0.268 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.503 2.642 0.174 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.635 2.210 -1.318 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.721 6.057 -4.273 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.631 6.371 -5.370 1.00 0.00 C ATOM 1353 C ALA A 87 -8.144 5.788 -6.698 1.00 0.00 C ATOM 1354 O ALA A 87 -8.956 5.445 -7.557 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.841 7.872 -5.481 1.00 0.00 C ATOM 0 H ALA A 87 -7.323 6.869 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.590 5.904 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.522 8.084 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.267 8.250 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.884 8.360 -5.667 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.822 5.670 -6.879 1.00 0.00 N ATOM 1362 CA ALA A 88 -6.288 5.105 -8.115 1.00 0.00 C ATOM 1363 C ALA A 88 -6.279 3.586 -8.036 1.00 0.00 C ATOM 1364 O ALA A 88 -6.857 2.906 -8.886 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.891 5.631 -8.398 1.00 0.00 C ATOM 0 H ALA A 88 -6.118 5.953 -6.197 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.934 5.412 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.518 5.194 -9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.924 6.716 -8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.227 5.361 -7.576 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.620 3.053 -7.009 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.572 1.615 -6.838 1.00 0.00 C ATOM 1373 C GLY A 89 -6.963 1.022 -6.767 1.00 0.00 C ATOM 1374 O GLY A 89 -7.182 -0.129 -7.129 1.00 0.00 O ATOM 0 H GLY A 89 -5.122 3.589 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.025 1.166 -7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.024 1.373 -5.927 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.902 1.825 -6.291 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.296 1.416 -6.182 1.00 0.00 C ATOM 1380 C ASP A 90 -10.083 1.891 -7.394 1.00 0.00 C ATOM 1381 O ASP A 90 -11.202 2.375 -7.255 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.941 1.945 -4.900 1.00 0.00 C ATOM 1383 CG ASP A 90 -11.390 1.517 -4.760 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.639 0.303 -4.605 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -12.275 2.396 -4.807 1.00 0.00 O ATOM 0 H ASP A 90 -7.721 2.776 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.317 0.327 -6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.375 1.589 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.884 3.033 -4.891 1.00 0.00 H new ATOM 1390 N LYS A 91 -9.460 1.820 -8.570 1.00 0.00 N ATOM 1391 CA LYS A 91 -10.084 2.269 -9.820 1.00 0.00 C ATOM 1392 C LYS A 91 -11.608 2.073 -9.873 1.00 0.00 C ATOM 1393 O LYS A 91 -12.288 2.801 -10.597 1.00 0.00 O ATOM 1394 CB LYS A 91 -9.407 1.633 -11.042 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.979 0.193 -10.864 1.00 0.00 C ATOM 1396 CD LYS A 91 -10.180 -0.716 -10.866 1.00 0.00 C ATOM 1397 CE LYS A 91 -9.823 -2.138 -10.461 1.00 0.00 C ATOM 1398 NZ LYS A 91 -11.023 -3.019 -10.419 1.00 0.00 N ATOM 0 H LYS A 91 -8.515 1.453 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.925 3.347 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.092 1.690 -11.888 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.530 2.226 -11.302 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.298 -0.092 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.433 0.082 -9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.932 -0.323 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.626 -0.724 -11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.098 -2.545 -11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.345 -2.128 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.170 -3.359 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.859 -2.483 -10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.879 -3.832 -11.052 1.00 0.00 H new ATOM 1412 N ASP A 92 -12.158 1.116 -9.130 1.00 0.00 N ATOM 1413 CA ASP A 92 -13.601 0.925 -9.119 1.00 0.00 C ATOM 1414 C ASP A 92 -14.296 2.214 -8.671 1.00 0.00 C ATOM 1415 O ASP A 92 -15.475 2.430 -8.953 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.983 -0.227 -8.188 1.00 0.00 C ATOM 1417 CG ASP A 92 -15.481 -0.459 -8.138 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -16.163 0.230 -7.351 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -15.972 -1.329 -8.888 1.00 0.00 O ATOM 0 H ASP A 92 -11.634 0.472 -8.538 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.926 0.677 -10.129 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.488 -1.139 -8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.617 -0.015 -7.183 1.00 0.00 H new ATOM 1424 N GLY A 93 -13.544 3.067 -7.969 1.00 0.00 N ATOM 1425 CA GLY A 93 -14.076 4.330 -7.494 1.00 0.00 C ATOM 1426 C GLY A 93 -15.038 4.165 -6.336 1.00 0.00 C ATOM 1427 O GLY A 93 -16.166 4.654 -6.388 1.00 0.00 O ATOM 0 H GLY A 93 -12.569 2.899 -7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.252 4.973 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.586 4.836 -8.314 1.00 0.00 H new ATOM 1431 N ASP A 94 -14.596 3.479 -5.286 1.00 0.00 N ATOM 1432 CA ASP A 94 -15.439 3.262 -4.119 1.00 0.00 C ATOM 1433 C ASP A 94 -14.900 3.994 -2.889 1.00 0.00 C ATOM 1434 O ASP A 94 -15.587 4.086 -1.872 1.00 0.00 O ATOM 1435 CB ASP A 94 -15.555 1.767 -3.823 1.00 0.00 C ATOM 1436 CG ASP A 94 -16.628 1.462 -2.795 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -17.817 1.415 -3.176 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -16.281 1.267 -1.612 1.00 0.00 O ATOM 0 H ASP A 94 -13.665 3.067 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 94 -16.426 3.666 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -15.778 1.233 -4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.595 1.395 -3.464 1.00 0.00 H new ATOM 1443 N GLY A 95 -13.685 4.534 -2.984 1.00 0.00 N ATOM 1444 CA GLY A 95 -13.108 5.245 -1.855 1.00 0.00 C ATOM 1445 C GLY A 95 -12.255 4.360 -0.963 1.00 0.00 C ATOM 1446 O GLY A 95 -11.446 4.850 -0.176 1.00 0.00 O ATOM 0 H GLY A 95 -13.095 4.492 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.500 6.070 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.910 5.683 -1.261 1.00 0.00 H new ATOM 1450 N LYS A 96 -12.441 3.057 -1.090 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.703 2.083 -0.291 1.00 0.00 C ATOM 1452 C LYS A 96 -10.958 1.106 -1.181 1.00 0.00 C ATOM 1453 O LYS A 96 -11.459 0.704 -2.227 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.643 1.284 0.627 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.299 2.119 1.715 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.814 2.070 1.632 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.331 2.961 0.518 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.819 3.024 0.498 1.00 0.00 N ATOM 0 H LYS A 96 -13.103 2.642 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.994 2.645 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.421 0.821 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.079 0.476 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.977 1.759 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.964 3.153 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.139 1.044 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.243 2.386 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.927 3.966 0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.971 2.588 -0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.123 4.000 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.183 2.397 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.192 2.718 1.420 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.767 0.714 -0.755 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.988 -0.250 -1.509 1.00 0.00 C ATOM 1474 C ILE A 97 -9.102 -1.599 -0.820 1.00 0.00 C ATOM 1475 O ILE A 97 -8.604 -1.783 0.287 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.494 0.193 -1.663 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.334 0.943 -2.996 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.506 -0.983 -1.562 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.901 1.149 -3.450 1.00 0.00 C ATOM 0 H ILE A 97 -9.324 1.046 0.101 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.384 -0.319 -2.522 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.248 0.854 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.869 0.394 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.814 1.917 -2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.487 -0.613 -1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.611 -1.463 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.720 -1.706 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.893 1.686 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.362 1.728 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.417 0.181 -3.578 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.777 -2.528 -1.479 1.00 0.00 N ATOM 1492 CA GLY A 98 -9.945 -3.843 -0.916 1.00 0.00 C ATOM 1493 C GLY A 98 -9.004 -4.850 -1.539 1.00 0.00 C ATOM 1494 O GLY A 98 -8.135 -4.489 -2.333 1.00 0.00 O ATOM 0 H GLY A 98 -10.210 -2.391 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.772 -3.802 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.974 -4.171 -1.061 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.176 -6.111 -1.183 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.320 -7.175 -1.695 1.00 0.00 C ATOM 1500 C VAL A 99 -8.349 -7.254 -3.223 1.00 0.00 C ATOM 1501 O VAL A 99 -7.357 -7.624 -3.849 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.727 -8.541 -1.110 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.082 -8.977 -1.643 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.666 -9.589 -1.410 1.00 0.00 C ATOM 0 H VAL A 99 -9.902 -6.427 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.305 -6.931 -1.383 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.809 -8.437 -0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.347 -9.944 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.836 -8.239 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.036 -9.061 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.971 -10.547 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.547 -9.688 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.718 -9.284 -0.967 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.486 -6.905 -3.820 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.633 -6.969 -5.278 1.00 0.00 C ATOM 1516 C GLU A 100 -8.862 -5.848 -5.960 1.00 0.00 C ATOM 1517 O GLU A 100 -8.029 -6.088 -6.833 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.103 -6.883 -5.713 1.00 0.00 C ATOM 1519 CG GLU A 100 -12.104 -7.092 -4.602 1.00 0.00 C ATOM 1520 CD GLU A 100 -13.539 -7.083 -5.092 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -14.148 -5.993 -5.127 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -14.054 -8.166 -5.441 1.00 0.00 O ATOM 0 H GLU A 100 -10.315 -6.577 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.228 -7.935 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.278 -5.905 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.282 -7.627 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.899 -8.043 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.976 -6.311 -3.853 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.156 -4.621 -5.547 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.515 -3.443 -6.113 1.00 0.00 C ATOM 1531 C GLU A 101 -7.037 -3.354 -5.739 1.00 0.00 C ATOM 1532 O GLU A 101 -6.257 -2.704 -6.433 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.264 -2.186 -5.681 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.366 -1.788 -6.652 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.246 -2.959 -7.044 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -10.874 -3.691 -7.984 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -12.307 -3.143 -6.411 1.00 0.00 O ATOM 0 H GLU A 101 -9.839 -4.417 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.558 -3.529 -7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.698 -2.349 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.556 -1.363 -5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.982 -1.011 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.918 -1.358 -7.548 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.646 -4.008 -4.647 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.250 -3.985 -4.213 1.00 0.00 C ATOM 1546 C PHE A 102 -4.332 -4.359 -5.369 1.00 0.00 C ATOM 1547 O PHE A 102 -3.365 -3.655 -5.662 1.00 0.00 O ATOM 1548 CB PHE A 102 -5.036 -4.949 -3.051 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.974 -4.500 -2.091 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -4.213 -3.474 -1.192 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.740 -5.111 -2.091 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -3.231 -3.069 -0.308 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.749 -4.714 -1.209 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.998 -3.690 -0.316 1.00 0.00 C ATOM 0 H PHE A 102 -7.268 -4.555 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.011 -2.975 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.975 -5.070 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.767 -5.929 -3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -5.176 -2.986 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.542 -5.911 -2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.428 -2.267 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.786 -5.203 -1.219 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.230 -3.376 0.375 1.00 0.00 H new ATOM 1564 N SER A 103 -4.643 -5.471 -6.026 1.00 0.00 N ATOM 1565 CA SER A 103 -3.855 -5.913 -7.164 1.00 0.00 C ATOM 1566 C SER A 103 -3.821 -4.814 -8.215 1.00 0.00 C ATOM 1567 O SER A 103 -2.851 -4.679 -8.966 1.00 0.00 O ATOM 1568 CB SER A 103 -4.441 -7.196 -7.761 1.00 0.00 C ATOM 1569 OG SER A 103 -3.677 -7.637 -8.871 1.00 0.00 O ATOM 0 H SER A 103 -5.429 -6.077 -5.791 1.00 0.00 H new ATOM 0 HA SER A 103 -2.840 -6.126 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.467 -7.976 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.471 -7.019 -8.071 1.00 0.00 H new ATOM 0 HG SER A 103 -4.070 -8.458 -9.233 1.00 0.00 H new ATOM 1575 N THR A 104 -4.891 -4.020 -8.257 1.00 0.00 N ATOM 1576 CA THR A 104 -4.984 -2.921 -9.203 1.00 0.00 C ATOM 1577 C THR A 104 -4.007 -1.816 -8.824 1.00 0.00 C ATOM 1578 O THR A 104 -3.367 -1.217 -9.689 1.00 0.00 O ATOM 1579 CB THR A 104 -6.411 -2.342 -9.278 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.363 -3.404 -9.412 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.532 -1.401 -10.463 1.00 0.00 C ATOM 0 H THR A 104 -5.701 -4.121 -7.646 1.00 0.00 H new ATOM 0 HA THR A 104 -4.730 -3.319 -10.185 1.00 0.00 H new ATOM 0 HB THR A 104 -6.613 -1.789 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.394 -3.700 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.544 -0.998 -10.506 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.820 -0.583 -10.352 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.319 -1.945 -11.383 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.895 -1.549 -7.526 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.974 -0.530 -7.044 1.00 0.00 C ATOM 1591 C LEU A 105 -1.562 -0.883 -7.485 1.00 0.00 C ATOM 1592 O LEU A 105 -0.771 -0.012 -7.850 1.00 0.00 O ATOM 1593 CB LEU A 105 -3.033 -0.425 -5.518 1.00 0.00 C ATOM 1594 CG LEU A 105 -2.559 0.910 -4.927 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.296 0.768 -3.439 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -1.320 1.409 -5.652 1.00 0.00 C ATOM 0 H LEU A 105 -4.427 -2.021 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.261 0.434 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.061 -0.599 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.428 -1.226 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.349 1.648 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.961 1.724 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.213 0.463 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.525 0.015 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.001 2.356 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.520 0.676 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.550 1.553 -6.708 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.256 -2.178 -7.450 1.00 0.00 N ATOM 1609 CA VAL A 106 0.049 -2.669 -7.862 1.00 0.00 C ATOM 1610 C VAL A 106 0.295 -2.332 -9.325 1.00 0.00 C ATOM 1611 O VAL A 106 1.328 -1.763 -9.679 1.00 0.00 O ATOM 1612 CB VAL A 106 0.164 -4.193 -7.673 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.542 -4.683 -8.090 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.135 -4.575 -6.232 1.00 0.00 C ATOM 0 H VAL A 106 -1.899 -2.906 -7.139 1.00 0.00 H new ATOM 0 HA VAL A 106 0.796 -2.183 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.574 -4.677 -8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.603 -5.762 -7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.711 -4.444 -9.140 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.302 -4.194 -7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.049 -5.655 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.576 -4.082 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.147 -4.262 -5.975 1.00 0.00 H new ATOM 1624 N ALA A 107 -0.667 -2.689 -10.171 1.00 0.00 N ATOM 1625 CA ALA A 107 -0.567 -2.410 -11.597 1.00 0.00 C ATOM 1626 C ALA A 107 -0.563 -0.907 -11.843 1.00 0.00 C ATOM 1627 O ALA A 107 0.111 -0.415 -12.748 1.00 0.00 O ATOM 1628 CB ALA A 107 -1.710 -3.072 -12.349 1.00 0.00 C ATOM 0 H ALA A 107 -1.522 -3.171 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 107 0.371 -2.823 -11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.620 -2.854 -13.413 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.670 -4.150 -12.195 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.660 -2.687 -11.979 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.326 -0.181 -11.028 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.405 1.269 -11.147 1.00 0.00 C ATOM 1636 C GLU A 108 -0.017 1.881 -11.131 1.00 0.00 C ATOM 1637 O GLU A 108 0.461 2.409 -12.135 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.221 1.856 -10.004 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.713 1.704 -10.208 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.266 2.694 -11.215 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.101 2.458 -12.430 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.868 3.701 -10.787 1.00 0.00 O ATOM 0 H GLU A 108 -1.897 -0.575 -10.280 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.892 1.501 -12.094 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.935 1.368 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.980 2.914 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.929 0.690 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.222 1.839 -9.254 1.00 0.00 H new ATOM 1649 N SER A 109 0.627 1.798 -9.971 1.00 0.00 N ATOM 1650 CA SER A 109 1.970 2.340 -9.794 1.00 0.00 C ATOM 1651 C SER A 109 2.875 1.966 -10.967 1.00 0.00 C ATOM 1652 O SER A 109 2.922 2.737 -11.948 1.00 0.00 O ATOM 1653 CB SER A 109 2.582 1.830 -8.489 1.00 0.00 C ATOM 1654 OG SER A 109 3.990 1.925 -8.535 1.00 0.00 O ATOM 1655 OXT SER A 109 3.530 0.903 -10.893 1.00 0.00 O ATOM 0 H SER A 109 0.239 1.359 -9.136 1.00 0.00 H new ATOM 0 HA SER A 109 1.888 3.426 -9.753 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.199 2.410 -7.649 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.286 0.794 -8.322 1.00 0.00 H new ATOM 0 HG SER A 109 4.304 2.494 -7.801 1.00 0.00 H new TER 1661 SER A 109