USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 647 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 25 THR OG1 : rot 180:sc= -0.265 USER MOD Set 1.2: A 28 GLN : amide:sc= -1.03 K(o=-1.3,f=-2.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.299 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 151:sc=-0.00375 (180deg=-0.931) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -143:sc= -0.481 (180deg=-1.95!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 101:sc= 0.173 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00641 X(o=-0.0064,f=-0.007) USER MOD Single : A 40 LYS NZ :NH3+ -123:sc= 1.16 (180deg=0.0787) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.09! K(o=-2.1!,f=-1.1) USER MOD Single : A 60 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 175:sc= -1.47 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= -0.0738 (180deg=-0.419) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 157:sc= 1.22 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.323 -1.778 1.549 1.00 0.00 N ATOM 2 CA GLY A 1 29.783 -0.512 1.088 1.00 0.00 C ATOM 3 C GLY A 1 28.464 -0.676 0.359 1.00 0.00 C ATOM 4 O GLY A 1 27.538 -1.305 0.871 1.00 0.00 O ATOM 0 H1 GLY A 1 31.224 -1.613 2.041 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.649 -2.225 2.203 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.483 -2.404 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.643 0.152 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.504 -0.033 0.426 1.00 0.00 H new ATOM 8 N SER A 2 28.377 -0.108 -0.839 1.00 0.00 N ATOM 9 CA SER A 2 27.159 -0.190 -1.638 1.00 0.00 C ATOM 10 C SER A 2 26.557 -1.590 -1.568 1.00 0.00 C ATOM 11 O SER A 2 27.240 -2.555 -1.225 1.00 0.00 O ATOM 12 CB SER A 2 27.453 0.180 -3.093 1.00 0.00 C ATOM 13 OG SER A 2 28.515 -0.601 -3.613 1.00 0.00 O ATOM 0 H SER A 2 29.135 0.414 -1.278 1.00 0.00 H new ATOM 0 HA SER A 2 26.437 0.517 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.558 0.031 -3.697 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.709 1.237 -3.158 1.00 0.00 H new ATOM 0 HG SER A 2 28.682 -0.347 -4.545 1.00 0.00 H new ATOM 19 N SER A 3 25.273 -1.692 -1.897 1.00 0.00 N ATOM 20 CA SER A 3 24.577 -2.973 -1.869 1.00 0.00 C ATOM 21 C SER A 3 24.137 -3.383 -3.271 1.00 0.00 C ATOM 22 O SER A 3 24.564 -4.413 -3.791 1.00 0.00 O ATOM 23 CB SER A 3 23.361 -2.896 -0.943 1.00 0.00 C ATOM 24 OG SER A 3 22.736 -4.161 -0.816 1.00 0.00 O ATOM 0 H SER A 3 24.694 -0.903 -2.186 1.00 0.00 H new ATOM 0 HA SER A 3 25.268 -3.726 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.670 -2.539 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.647 -2.172 -1.335 1.00 0.00 H new ATOM 0 HG SER A 3 21.963 -4.085 -0.218 1.00 0.00 H new ATOM 30 N GLY A 4 23.280 -2.568 -3.878 1.00 0.00 N ATOM 31 CA GLY A 4 22.795 -2.863 -5.214 1.00 0.00 C ATOM 32 C GLY A 4 21.753 -1.868 -5.685 1.00 0.00 C ATOM 33 O GLY A 4 21.861 -1.317 -6.780 1.00 0.00 O ATOM 0 H GLY A 4 22.913 -1.709 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.634 -2.863 -5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.368 -3.866 -5.229 1.00 0.00 H new ATOM 37 N SER A 5 20.739 -1.638 -4.856 1.00 0.00 N ATOM 38 CA SER A 5 19.670 -0.707 -5.196 1.00 0.00 C ATOM 39 C SER A 5 20.209 0.466 -6.008 1.00 0.00 C ATOM 40 O SER A 5 21.219 1.071 -5.650 1.00 0.00 O ATOM 41 CB SER A 5 18.989 -0.194 -3.926 1.00 0.00 C ATOM 42 OG SER A 5 17.861 0.605 -4.240 1.00 0.00 O ATOM 0 H SER A 5 20.636 -2.084 -3.944 1.00 0.00 H new ATOM 0 HA SER A 5 18.937 -1.239 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.681 -1.038 -3.309 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.699 0.388 -3.339 1.00 0.00 H new ATOM 0 HG SER A 5 17.442 0.919 -3.412 1.00 0.00 H new ATOM 48 N SER A 6 19.527 0.783 -7.104 1.00 0.00 N ATOM 49 CA SER A 6 19.939 1.881 -7.970 1.00 0.00 C ATOM 50 C SER A 6 18.782 2.847 -8.210 1.00 0.00 C ATOM 51 O SER A 6 18.887 4.041 -7.931 1.00 0.00 O ATOM 52 CB SER A 6 20.451 1.341 -9.307 1.00 0.00 C ATOM 53 OG SER A 6 21.546 0.462 -9.115 1.00 0.00 O ATOM 0 H SER A 6 18.687 0.295 -7.413 1.00 0.00 H new ATOM 0 HA SER A 6 20.744 2.421 -7.472 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.647 0.818 -9.824 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.754 2.170 -9.946 1.00 0.00 H new ATOM 0 HG SER A 6 21.358 -0.134 -8.360 1.00 0.00 H new ATOM 59 N GLY A 7 17.677 2.320 -8.729 1.00 0.00 N ATOM 60 CA GLY A 7 16.516 3.148 -8.998 1.00 0.00 C ATOM 61 C GLY A 7 15.771 2.715 -10.245 1.00 0.00 C ATOM 62 O GLY A 7 16.032 1.645 -10.792 1.00 0.00 O ATOM 0 H GLY A 7 17.565 1.335 -8.968 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.841 3.110 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.831 4.185 -9.109 1.00 0.00 H new ATOM 66 N GLY A 8 14.837 3.548 -10.694 1.00 0.00 N ATOM 67 CA GLY A 8 14.065 3.227 -11.880 1.00 0.00 C ATOM 68 C GLY A 8 13.494 4.460 -12.552 1.00 0.00 C ATOM 69 O GLY A 8 13.918 5.580 -12.269 1.00 0.00 O ATOM 0 H GLY A 8 14.601 4.439 -10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.698 2.692 -12.588 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.251 2.555 -11.609 1.00 0.00 H new ATOM 73 N GLU A 9 12.531 4.253 -13.444 1.00 0.00 N ATOM 74 CA GLU A 9 11.903 5.358 -14.160 1.00 0.00 C ATOM 75 C GLU A 9 10.411 5.431 -13.848 1.00 0.00 C ATOM 76 O GLU A 9 9.737 4.416 -13.675 1.00 0.00 O ATOM 77 CB GLU A 9 12.114 5.203 -15.668 1.00 0.00 C ATOM 78 CG GLU A 9 13.472 5.687 -16.146 1.00 0.00 C ATOM 79 CD GLU A 9 14.540 4.615 -16.050 1.00 0.00 C ATOM 80 OE1 GLU A 9 14.403 3.577 -16.731 1.00 0.00 O ATOM 81 OE2 GLU A 9 15.514 4.814 -15.294 1.00 0.00 O ATOM 0 H GLU A 9 12.169 3.331 -13.688 1.00 0.00 H new ATOM 0 HA GLU A 9 12.371 6.285 -13.829 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.997 4.153 -15.937 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.335 5.755 -16.194 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.391 6.022 -17.180 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.775 6.551 -15.554 1.00 0.00 H new ATOM 88 N PRO A 10 9.883 6.662 -13.774 1.00 0.00 N ATOM 89 CA PRO A 10 8.465 6.898 -13.483 1.00 0.00 C ATOM 90 C PRO A 10 7.559 6.471 -14.632 1.00 0.00 C ATOM 91 O PRO A 10 8.018 5.898 -15.618 1.00 0.00 O ATOM 92 CB PRO A 10 8.393 8.413 -13.278 1.00 0.00 C ATOM 93 CG PRO A 10 9.543 8.955 -14.055 1.00 0.00 C ATOM 94 CD PRO A 10 10.627 7.917 -13.969 1.00 0.00 C ATOM 0 HA PRO A 10 8.123 6.321 -12.623 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.447 8.817 -13.638 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.470 8.674 -12.222 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.261 9.140 -15.092 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.880 9.906 -13.642 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.230 7.890 -14.877 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.307 8.114 -13.140 1.00 0.00 H new ATOM 102 N GLY A 11 6.267 6.756 -14.497 1.00 0.00 N ATOM 103 CA GLY A 11 5.316 6.394 -15.532 1.00 0.00 C ATOM 104 C GLY A 11 4.181 7.392 -15.651 1.00 0.00 C ATOM 105 O GLY A 11 3.173 7.285 -14.951 1.00 0.00 O ATOM 0 H GLY A 11 5.862 7.231 -13.690 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.834 6.322 -16.488 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.907 5.407 -15.316 1.00 0.00 H new ATOM 109 N THR A 12 4.343 8.368 -16.539 1.00 0.00 N ATOM 110 CA THR A 12 3.326 9.391 -16.745 1.00 0.00 C ATOM 111 C THR A 12 1.955 8.764 -16.977 1.00 0.00 C ATOM 112 O THR A 12 1.826 7.778 -17.702 1.00 0.00 O ATOM 113 CB THR A 12 3.673 10.295 -17.943 1.00 0.00 C ATOM 114 OG1 THR A 12 4.969 10.876 -17.758 1.00 0.00 O ATOM 115 CG2 THR A 12 2.637 11.397 -18.108 1.00 0.00 C ATOM 0 H THR A 12 5.170 8.471 -17.127 1.00 0.00 H new ATOM 0 HA THR A 12 3.298 9.996 -15.839 1.00 0.00 H new ATOM 0 HB THR A 12 3.674 9.682 -18.844 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.183 11.448 -18.524 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.903 12.022 -18.960 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.656 10.952 -18.277 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.608 12.007 -17.205 1.00 0.00 H new ATOM 123 N LYS A 13 0.933 9.344 -16.357 1.00 0.00 N ATOM 124 CA LYS A 13 -0.430 8.844 -16.497 1.00 0.00 C ATOM 125 C LYS A 13 -1.445 9.937 -16.180 1.00 0.00 C ATOM 126 O LYS A 13 -1.239 10.746 -15.276 1.00 0.00 O ATOM 127 CB LYS A 13 -0.652 7.644 -15.574 1.00 0.00 C ATOM 128 CG LYS A 13 -0.791 8.021 -14.109 1.00 0.00 C ATOM 129 CD LYS A 13 -0.403 6.868 -13.198 1.00 0.00 C ATOM 130 CE LYS A 13 -1.555 5.895 -13.008 1.00 0.00 C ATOM 131 NZ LYS A 13 -1.662 4.933 -14.140 1.00 0.00 N ATOM 0 H LYS A 13 1.023 10.161 -15.753 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.571 8.530 -17.531 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.550 7.114 -15.891 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.183 6.952 -15.685 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.162 8.884 -13.893 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.820 8.317 -13.904 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.453 6.342 -13.620 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.091 7.258 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.416 5.346 -12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.488 6.451 -12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.072 4.040 -13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.273 5.334 -14.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.716 4.752 -14.532 1.00 0.00 H new ATOM 145 N ALA A 14 -2.543 9.954 -16.930 1.00 0.00 N ATOM 146 CA ALA A 14 -3.592 10.946 -16.726 1.00 0.00 C ATOM 147 C ALA A 14 -4.431 10.612 -15.498 1.00 0.00 C ATOM 148 O ALA A 14 -4.508 11.398 -14.553 1.00 0.00 O ATOM 149 CB ALA A 14 -4.475 11.041 -17.961 1.00 0.00 C ATOM 0 H ALA A 14 -2.729 9.292 -17.684 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.117 11.912 -16.557 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.254 11.785 -17.795 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.870 11.334 -18.819 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.935 10.072 -18.155 1.00 0.00 H new ATOM 155 N LYS A 15 -5.061 9.442 -15.517 1.00 0.00 N ATOM 156 CA LYS A 15 -5.895 9.004 -14.404 1.00 0.00 C ATOM 157 C LYS A 15 -6.261 7.530 -14.547 1.00 0.00 C ATOM 158 O LYS A 15 -6.608 7.068 -15.634 1.00 0.00 O ATOM 159 CB LYS A 15 -7.167 9.851 -14.329 1.00 0.00 C ATOM 160 CG LYS A 15 -8.122 9.619 -15.487 1.00 0.00 C ATOM 161 CD LYS A 15 -9.333 10.533 -15.403 1.00 0.00 C ATOM 162 CE LYS A 15 -10.311 10.064 -14.337 1.00 0.00 C ATOM 163 NZ LYS A 15 -11.585 10.834 -14.376 1.00 0.00 N ATOM 0 H LYS A 15 -5.010 8.780 -16.291 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.326 9.132 -13.483 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.683 9.634 -13.394 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.890 10.905 -14.303 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.601 9.790 -16.429 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.449 8.579 -15.487 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.009 11.549 -15.179 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.835 10.564 -16.370 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.523 9.004 -14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.853 10.168 -13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.225 10.484 -13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.386 11.842 -14.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.035 10.714 -15.306 1.00 0.00 H new ATOM 177 N LYS A 16 -6.181 6.795 -13.443 1.00 0.00 N ATOM 178 CA LYS A 16 -6.507 5.374 -13.443 1.00 0.00 C ATOM 179 C LYS A 16 -6.886 4.902 -12.043 1.00 0.00 C ATOM 180 O LYS A 16 -6.065 4.925 -11.126 1.00 0.00 O ATOM 181 CB LYS A 16 -5.321 4.559 -13.964 1.00 0.00 C ATOM 182 CG LYS A 16 -5.300 4.414 -15.476 1.00 0.00 C ATOM 183 CD LYS A 16 -4.419 3.256 -15.913 1.00 0.00 C ATOM 184 CE LYS A 16 -5.169 1.934 -15.860 1.00 0.00 C ATOM 185 NZ LYS A 16 -5.083 1.300 -14.515 1.00 0.00 N ATOM 0 H LYS A 16 -5.893 7.161 -12.536 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.362 5.223 -14.101 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.395 5.033 -13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.346 3.567 -13.513 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.315 4.258 -15.842 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.937 5.338 -15.926 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.061 3.432 -16.927 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.540 3.203 -15.270 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.215 2.100 -16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.761 1.255 -16.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.007 0.268 -14.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.245 1.659 -14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.937 1.530 -13.968 1.00 0.00 H new ATOM 199 N GLY A 17 -8.134 4.473 -11.885 1.00 0.00 N ATOM 200 CA GLY A 17 -8.599 4.001 -10.594 1.00 0.00 C ATOM 201 C GLY A 17 -10.078 3.666 -10.597 1.00 0.00 C ATOM 202 O GLY A 17 -10.682 3.502 -11.657 1.00 0.00 O ATOM 0 H GLY A 17 -8.832 4.444 -12.628 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.030 3.117 -10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.404 4.764 -9.840 1.00 0.00 H new ATOM 206 N ARG A 18 -10.662 3.564 -9.408 1.00 0.00 N ATOM 207 CA ARG A 18 -12.078 3.244 -9.277 1.00 0.00 C ATOM 208 C ARG A 18 -12.352 1.804 -9.702 1.00 0.00 C ATOM 209 O ARG A 18 -13.204 1.548 -10.553 1.00 0.00 O ATOM 210 CB ARG A 18 -12.919 4.204 -10.121 1.00 0.00 C ATOM 211 CG ARG A 18 -14.305 4.461 -9.551 1.00 0.00 C ATOM 212 CD ARG A 18 -15.314 3.444 -10.061 1.00 0.00 C ATOM 213 NE ARG A 18 -15.392 3.434 -11.519 1.00 0.00 N ATOM 214 CZ ARG A 18 -16.344 2.806 -12.200 1.00 0.00 C ATOM 215 NH1 ARG A 18 -17.295 2.142 -11.558 1.00 0.00 N ATOM 216 NH2 ARG A 18 -16.347 2.843 -13.526 1.00 0.00 N ATOM 0 H ARG A 18 -10.176 3.698 -8.521 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.354 3.354 -8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.391 5.153 -10.211 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.019 3.798 -11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.265 4.421 -8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.630 5.465 -9.822 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.039 2.451 -9.706 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.297 3.669 -9.647 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.676 3.937 -12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.297 2.112 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.025 1.661 -12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.618 3.354 -14.024 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.078 2.360 -14.048 1.00 0.00 H new ATOM 230 N ARG A 19 -11.622 0.868 -9.104 1.00 0.00 N ATOM 231 CA ARG A 19 -11.785 -0.546 -9.421 1.00 0.00 C ATOM 232 C ARG A 19 -11.584 -1.409 -8.178 1.00 0.00 C ATOM 233 O ARG A 19 -10.826 -1.050 -7.277 1.00 0.00 O ATOM 234 CB ARG A 19 -10.795 -0.963 -10.510 1.00 0.00 C ATOM 235 CG ARG A 19 -11.315 -0.746 -11.921 1.00 0.00 C ATOM 236 CD ARG A 19 -10.430 -1.427 -12.953 1.00 0.00 C ATOM 237 NE ARG A 19 -10.825 -2.815 -13.182 1.00 0.00 N ATOM 238 CZ ARG A 19 -11.957 -3.167 -13.780 1.00 0.00 C ATOM 239 NH1 ARG A 19 -12.802 -2.239 -14.207 1.00 0.00 N ATOM 240 NH2 ARG A 19 -12.247 -4.450 -13.952 1.00 0.00 N ATOM 0 H ARG A 19 -10.912 1.063 -8.398 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.801 -0.696 -9.786 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.870 -0.401 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.548 -2.017 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.331 -1.134 -11.999 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.365 0.322 -12.131 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.479 -0.876 -13.892 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.393 -1.396 -12.619 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.197 -3.554 -12.865 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.583 -1.251 -14.077 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.671 -2.513 -14.666 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.600 -5.167 -13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.117 -4.719 -14.412 1.00 0.00 H new ATOM 254 N SER A 20 -12.269 -2.547 -8.137 1.00 0.00 N ATOM 255 CA SER A 20 -12.169 -3.459 -7.004 1.00 0.00 C ATOM 256 C SER A 20 -12.227 -2.694 -5.685 1.00 0.00 C ATOM 257 O SER A 20 -11.439 -2.947 -4.773 1.00 0.00 O ATOM 258 CB SER A 20 -10.871 -4.264 -7.083 1.00 0.00 C ATOM 259 OG SER A 20 -10.974 -5.306 -8.038 1.00 0.00 O ATOM 0 H SER A 20 -12.899 -2.859 -8.875 1.00 0.00 H new ATOM 0 HA SER A 20 -13.016 -4.144 -7.045 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.045 -3.604 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.640 -4.685 -6.104 1.00 0.00 H new ATOM 0 HG SER A 20 -10.131 -5.804 -8.071 1.00 0.00 H new ATOM 265 N ARG A 21 -13.165 -1.758 -5.592 1.00 0.00 N ATOM 266 CA ARG A 21 -13.326 -0.954 -4.385 1.00 0.00 C ATOM 267 C ARG A 21 -13.508 -1.845 -3.160 1.00 0.00 C ATOM 268 O ARG A 21 -14.391 -2.703 -3.127 1.00 0.00 O ATOM 269 CB ARG A 21 -14.525 -0.015 -4.529 1.00 0.00 C ATOM 270 CG ARG A 21 -14.610 1.035 -3.433 1.00 0.00 C ATOM 271 CD ARG A 21 -15.976 1.703 -3.407 1.00 0.00 C ATOM 272 NE ARG A 21 -16.048 2.838 -4.324 1.00 0.00 N ATOM 273 CZ ARG A 21 -16.316 2.720 -5.620 1.00 0.00 C ATOM 274 NH1 ARG A 21 -16.536 1.524 -6.148 1.00 0.00 N ATOM 275 NH2 ARG A 21 -16.364 3.799 -6.389 1.00 0.00 N ATOM 0 H ARG A 21 -13.825 -1.537 -6.337 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.422 -0.360 -4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.470 0.485 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.441 -0.606 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.412 0.571 -2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.838 1.789 -3.589 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.741 0.974 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.195 2.041 -2.394 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.884 3.772 -3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.500 0.692 -5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.742 1.436 -7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.195 4.721 -5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.570 3.708 -7.384 1.00 0.00 H new ATOM 289 N THR A 22 -12.666 -1.635 -2.152 1.00 0.00 N ATOM 290 CA THR A 22 -12.733 -2.419 -0.925 1.00 0.00 C ATOM 291 C THR A 22 -12.948 -1.522 0.289 1.00 0.00 C ATOM 292 O THR A 22 -12.350 -0.452 0.397 1.00 0.00 O ATOM 293 CB THR A 22 -11.450 -3.246 -0.717 1.00 0.00 C ATOM 294 OG1 THR A 22 -10.300 -2.398 -0.808 1.00 0.00 O ATOM 295 CG2 THR A 22 -11.350 -4.358 -1.750 1.00 0.00 C ATOM 0 H THR A 22 -11.930 -0.929 -2.162 1.00 0.00 H new ATOM 0 HA THR A 22 -13.581 -3.096 -1.028 1.00 0.00 H new ATOM 0 HB THR A 22 -11.491 -3.696 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.975 -2.189 0.093 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.436 -4.928 -1.583 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.212 -5.019 -1.658 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.330 -3.925 -2.750 1.00 0.00 H new ATOM 303 N VAL A 23 -13.806 -1.967 1.202 1.00 0.00 N ATOM 304 CA VAL A 23 -14.099 -1.205 2.410 1.00 0.00 C ATOM 305 C VAL A 23 -13.514 -1.884 3.644 1.00 0.00 C ATOM 306 O VAL A 23 -13.717 -3.079 3.862 1.00 0.00 O ATOM 307 CB VAL A 23 -15.616 -1.026 2.607 1.00 0.00 C ATOM 308 CG1 VAL A 23 -15.903 -0.281 3.902 1.00 0.00 C ATOM 309 CG2 VAL A 23 -16.225 -0.299 1.418 1.00 0.00 C ATOM 0 H VAL A 23 -14.310 -2.851 1.128 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.638 -0.225 2.285 1.00 0.00 H new ATOM 0 HB VAL A 23 -16.075 -2.012 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -16.980 -0.164 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -15.502 -0.846 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -15.433 0.702 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.297 -0.181 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.763 0.683 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -16.052 -0.877 0.510 1.00 0.00 H new ATOM 319 N PHE A 24 -12.788 -1.115 4.448 1.00 0.00 N ATOM 320 CA PHE A 24 -12.173 -1.643 5.660 1.00 0.00 C ATOM 321 C PHE A 24 -12.900 -1.138 6.903 1.00 0.00 C ATOM 322 O PHE A 24 -13.737 -0.238 6.825 1.00 0.00 O ATOM 323 CB PHE A 24 -10.696 -1.245 5.722 1.00 0.00 C ATOM 324 CG PHE A 24 -9.886 -1.765 4.569 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.772 -1.031 3.399 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.240 -2.988 4.654 1.00 0.00 C ATOM 327 CE1 PHE A 24 -9.027 -1.505 2.336 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.494 -3.467 3.594 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.388 -2.726 2.434 1.00 0.00 C ATOM 0 H PHE A 24 -12.611 -0.124 4.282 1.00 0.00 H new ATOM 0 HA PHE A 24 -12.249 -2.730 5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.622 -0.158 5.747 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.267 -1.615 6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.271 -0.077 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.320 -3.573 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.944 -0.922 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.994 -4.421 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.806 -3.100 1.604 1.00 0.00 H new ATOM 339 N THR A 25 -12.575 -1.724 8.051 1.00 0.00 N ATOM 340 CA THR A 25 -13.197 -1.337 9.310 1.00 0.00 C ATOM 341 C THR A 25 -12.287 -0.413 10.111 1.00 0.00 C ATOM 342 O THR A 25 -11.101 -0.281 9.810 1.00 0.00 O ATOM 343 CB THR A 25 -13.543 -2.568 10.168 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.345 -3.264 10.532 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.473 -3.508 9.416 1.00 0.00 C ATOM 0 H THR A 25 -11.884 -2.469 8.134 1.00 0.00 H new ATOM 0 HA THR A 25 -14.117 -0.809 9.059 1.00 0.00 H new ATOM 0 HB THR A 25 -14.051 -2.224 11.069 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.573 -4.045 11.079 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.703 -4.370 10.042 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.396 -2.984 9.166 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.987 -3.844 8.500 1.00 0.00 H new ATOM 353 N GLU A 26 -12.850 0.224 11.134 1.00 0.00 N ATOM 354 CA GLU A 26 -12.087 1.136 11.978 1.00 0.00 C ATOM 355 C GLU A 26 -10.916 0.415 12.639 1.00 0.00 C ATOM 356 O GLU A 26 -9.841 0.989 12.818 1.00 0.00 O ATOM 357 CB GLU A 26 -12.991 1.752 13.048 1.00 0.00 C ATOM 358 CG GLU A 26 -13.663 3.042 12.609 1.00 0.00 C ATOM 359 CD GLU A 26 -14.103 3.899 13.781 1.00 0.00 C ATOM 360 OE1 GLU A 26 -13.241 4.585 14.369 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.307 3.883 14.109 1.00 0.00 O ATOM 0 H GLU A 26 -13.830 0.125 11.398 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.691 1.931 11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.758 1.028 13.324 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.400 1.947 13.943 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.974 3.612 11.985 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.530 2.804 11.992 1.00 0.00 H new ATOM 368 N LEU A 27 -11.132 -0.845 12.999 1.00 0.00 N ATOM 369 CA LEU A 27 -10.095 -1.646 13.641 1.00 0.00 C ATOM 370 C LEU A 27 -8.994 -2.007 12.649 1.00 0.00 C ATOM 371 O LEU A 27 -7.829 -1.669 12.852 1.00 0.00 O ATOM 372 CB LEU A 27 -10.701 -2.919 14.234 1.00 0.00 C ATOM 373 CG LEU A 27 -9.977 -3.505 15.447 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.364 -2.756 16.713 1.00 0.00 C ATOM 375 CD2 LEU A 27 -10.285 -4.988 15.587 1.00 0.00 C ATOM 0 H LEU A 27 -12.016 -1.334 12.857 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.656 -1.053 14.443 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.732 -2.708 14.518 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.734 -3.679 13.454 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.904 -3.390 15.296 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.839 -3.187 17.566 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.091 -1.706 16.612 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.440 -2.838 16.870 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.761 -5.388 16.455 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.359 -5.126 15.715 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.956 -5.514 14.691 1.00 0.00 H new ATOM 387 N GLN A 28 -9.373 -2.694 11.576 1.00 0.00 N ATOM 388 CA GLN A 28 -8.418 -3.099 10.552 1.00 0.00 C ATOM 389 C GLN A 28 -7.609 -1.904 10.058 1.00 0.00 C ATOM 390 O GLN A 28 -6.390 -1.988 9.902 1.00 0.00 O ATOM 391 CB GLN A 28 -9.145 -3.758 9.378 1.00 0.00 C ATOM 392 CG GLN A 28 -9.879 -5.034 9.756 1.00 0.00 C ATOM 393 CD GLN A 28 -10.643 -5.634 8.592 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.278 -4.919 7.817 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.586 -6.955 8.465 1.00 0.00 N ATOM 0 H GLN A 28 -10.334 -2.982 11.394 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.732 -3.820 10.996 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.859 -3.049 8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.422 -3.983 8.594 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.161 -5.764 10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.572 -4.822 10.570 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.047 -7.509 9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.081 -7.416 7.701 1.00 0.00 H new ATOM 404 N LEU A 29 -8.294 -0.792 9.815 1.00 0.00 N ATOM 405 CA LEU A 29 -7.640 0.421 9.338 1.00 0.00 C ATOM 406 C LEU A 29 -6.654 0.951 10.375 1.00 0.00 C ATOM 407 O LEU A 29 -5.546 1.366 10.036 1.00 0.00 O ATOM 408 CB LEU A 29 -8.682 1.493 9.015 1.00 0.00 C ATOM 409 CG LEU A 29 -9.309 1.421 7.622 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.424 2.445 7.485 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.252 1.634 6.549 1.00 0.00 C ATOM 0 H LEU A 29 -9.303 -0.705 9.941 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.089 0.174 8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.480 1.430 9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.216 2.471 9.132 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.738 0.428 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.858 2.379 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.194 2.246 8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.020 3.446 7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.717 1.579 5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.793 2.614 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.488 0.861 6.633 1.00 0.00 H new ATOM 423 N MET A 30 -7.064 0.931 11.639 1.00 0.00 N ATOM 424 CA MET A 30 -6.215 1.406 12.725 1.00 0.00 C ATOM 425 C MET A 30 -4.847 0.734 12.679 1.00 0.00 C ATOM 426 O MET A 30 -3.817 1.390 12.831 1.00 0.00 O ATOM 427 CB MET A 30 -6.882 1.140 14.076 1.00 0.00 C ATOM 428 CG MET A 30 -6.017 1.521 15.266 1.00 0.00 C ATOM 429 SD MET A 30 -6.990 1.978 16.714 1.00 0.00 S ATOM 430 CE MET A 30 -7.489 0.364 17.309 1.00 0.00 C ATOM 0 H MET A 30 -7.979 0.591 11.936 1.00 0.00 H new ATOM 0 HA MET A 30 -6.077 2.480 12.602 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.818 1.696 14.125 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.135 0.082 14.145 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.366 0.684 15.520 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.371 2.354 14.989 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.100 0.479 18.204 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.067 -0.145 16.538 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.604 -0.226 17.547 1.00 0.00 H new ATOM 440 N GLY A 31 -4.844 -0.579 12.470 1.00 0.00 N ATOM 441 CA GLY A 31 -3.596 -1.318 12.408 1.00 0.00 C ATOM 442 C GLY A 31 -2.851 -1.091 11.108 1.00 0.00 C ATOM 443 O GLY A 31 -1.648 -0.825 11.110 1.00 0.00 O ATOM 0 H GLY A 31 -5.683 -1.144 12.342 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.961 -1.023 13.243 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.801 -2.382 12.524 1.00 0.00 H new ATOM 447 N LEU A 32 -3.565 -1.197 9.993 1.00 0.00 N ATOM 448 CA LEU A 32 -2.964 -1.003 8.678 1.00 0.00 C ATOM 449 C LEU A 32 -2.190 0.310 8.621 1.00 0.00 C ATOM 450 O LEU A 32 -1.053 0.351 8.154 1.00 0.00 O ATOM 451 CB LEU A 32 -4.044 -1.019 7.594 1.00 0.00 C ATOM 452 CG LEU A 32 -4.530 -2.399 7.152 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.876 -2.292 6.451 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.504 -3.060 6.242 1.00 0.00 C ATOM 0 H LEU A 32 -4.561 -1.416 9.973 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.267 -1.822 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.902 -0.452 7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.661 -0.493 6.719 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.654 -3.020 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.206 -3.284 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.609 -1.861 7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.779 -1.654 5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.867 -4.042 5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.348 -2.440 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.561 -3.172 6.778 1.00 0.00 H new ATOM 466 N GLU A 33 -2.815 1.381 9.102 1.00 0.00 N ATOM 467 CA GLU A 33 -2.183 2.695 9.107 1.00 0.00 C ATOM 468 C GLU A 33 -0.931 2.693 9.978 1.00 0.00 C ATOM 469 O GLU A 33 0.075 3.318 9.641 1.00 0.00 O ATOM 470 CB GLU A 33 -3.166 3.755 9.608 1.00 0.00 C ATOM 471 CG GLU A 33 -4.285 4.061 8.627 1.00 0.00 C ATOM 472 CD GLU A 33 -5.226 5.138 9.132 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.419 5.226 10.363 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.768 5.892 8.298 1.00 0.00 O ATOM 0 H GLU A 33 -3.757 1.364 9.493 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.892 2.935 8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.601 3.419 10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.619 4.674 9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.854 4.377 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.852 3.150 8.433 1.00 0.00 H new ATOM 481 N LYS A 34 -1.000 1.987 11.102 1.00 0.00 N ATOM 482 CA LYS A 34 0.127 1.902 12.023 1.00 0.00 C ATOM 483 C LYS A 34 1.310 1.192 11.372 1.00 0.00 C ATOM 484 O LYS A 34 2.458 1.606 11.529 1.00 0.00 O ATOM 485 CB LYS A 34 -0.285 1.164 13.299 1.00 0.00 C ATOM 486 CG LYS A 34 0.537 1.550 14.517 1.00 0.00 C ATOM 487 CD LYS A 34 0.027 2.834 15.149 1.00 0.00 C ATOM 488 CE LYS A 34 0.811 3.186 16.404 1.00 0.00 C ATOM 489 NZ LYS A 34 0.309 2.448 17.596 1.00 0.00 N ATOM 0 H LYS A 34 -1.825 1.465 11.397 1.00 0.00 H new ATOM 0 HA LYS A 34 0.431 2.917 12.279 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.337 1.366 13.502 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.193 0.091 13.134 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.503 0.744 15.250 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.581 1.675 14.228 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.103 3.650 14.430 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.029 2.725 15.397 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.865 2.955 16.251 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.743 4.259 16.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.869 2.715 18.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.690 2.688 17.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.397 1.425 17.433 1.00 0.00 H new ATOM 503 N ARG A 35 1.021 0.121 10.639 1.00 0.00 N ATOM 504 CA ARG A 35 2.061 -0.646 9.964 1.00 0.00 C ATOM 505 C ARG A 35 2.592 0.110 8.750 1.00 0.00 C ATOM 506 O ARG A 35 3.800 0.162 8.518 1.00 0.00 O ATOM 507 CB ARG A 35 1.519 -2.010 9.532 1.00 0.00 C ATOM 508 CG ARG A 35 1.691 -3.094 10.583 1.00 0.00 C ATOM 509 CD ARG A 35 0.913 -2.771 11.849 1.00 0.00 C ATOM 510 NE ARG A 35 0.921 -3.884 12.795 1.00 0.00 N ATOM 511 CZ ARG A 35 1.951 -4.172 13.583 1.00 0.00 C ATOM 512 NH1 ARG A 35 3.051 -3.432 13.538 1.00 0.00 N ATOM 513 NH2 ARG A 35 1.882 -5.201 14.418 1.00 0.00 N ATOM 0 H ARG A 35 0.076 -0.235 10.498 1.00 0.00 H new ATOM 0 HA ARG A 35 2.882 -0.794 10.666 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.460 -1.912 9.293 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.024 -2.319 8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.353 -4.049 10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.748 -3.205 10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.343 -1.889 12.323 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.116 -2.524 11.589 1.00 0.00 H new ATOM 0 HE ARG A 35 0.090 -4.472 12.854 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.107 -2.640 12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.841 -3.655 14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.037 -5.772 14.455 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.673 -5.421 15.023 1.00 0.00 H new ATOM 527 N PHE A 36 1.682 0.694 7.978 1.00 0.00 N ATOM 528 CA PHE A 36 2.059 1.446 6.787 1.00 0.00 C ATOM 529 C PHE A 36 2.875 2.681 7.158 1.00 0.00 C ATOM 530 O PHE A 36 3.882 2.987 6.521 1.00 0.00 O ATOM 531 CB PHE A 36 0.811 1.862 6.004 1.00 0.00 C ATOM 532 CG PHE A 36 1.115 2.678 4.780 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.647 3.952 4.896 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.871 2.170 3.515 1.00 0.00 C ATOM 535 CE1 PHE A 36 1.927 4.705 3.771 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.149 2.918 2.386 1.00 0.00 C ATOM 537 CZ PHE A 36 1.679 4.187 2.515 1.00 0.00 C ATOM 0 H PHE A 36 0.678 0.661 8.156 1.00 0.00 H new ATOM 0 HA PHE A 36 2.675 0.800 6.161 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.263 0.968 5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.155 2.435 6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.845 4.361 5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.459 1.177 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.339 5.698 3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.952 2.511 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.899 4.773 1.635 1.00 0.00 H new ATOM 547 N GLU A 37 2.431 3.387 8.194 1.00 0.00 N ATOM 548 CA GLU A 37 3.119 4.589 8.649 1.00 0.00 C ATOM 549 C GLU A 37 4.498 4.249 9.206 1.00 0.00 C ATOM 550 O GLU A 37 5.481 4.936 8.927 1.00 0.00 O ATOM 551 CB GLU A 37 2.288 5.305 9.716 1.00 0.00 C ATOM 552 CG GLU A 37 2.437 4.708 11.106 1.00 0.00 C ATOM 553 CD GLU A 37 1.759 5.543 12.175 1.00 0.00 C ATOM 554 OE1 GLU A 37 0.521 5.446 12.308 1.00 0.00 O ATOM 555 OE2 GLU A 37 2.468 6.293 12.879 1.00 0.00 O ATOM 0 H GLU A 37 1.599 3.147 8.733 1.00 0.00 H new ATOM 0 HA GLU A 37 3.246 5.251 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.579 6.355 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.237 5.274 9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.015 3.703 11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.496 4.610 11.344 1.00 0.00 H new ATOM 562 N LYS A 38 4.564 3.183 9.997 1.00 0.00 N ATOM 563 CA LYS A 38 5.821 2.749 10.594 1.00 0.00 C ATOM 564 C LYS A 38 6.803 2.290 9.521 1.00 0.00 C ATOM 565 O LYS A 38 7.987 2.622 9.569 1.00 0.00 O ATOM 566 CB LYS A 38 5.571 1.614 11.591 1.00 0.00 C ATOM 567 CG LYS A 38 5.074 2.092 12.944 1.00 0.00 C ATOM 568 CD LYS A 38 6.220 2.559 13.826 1.00 0.00 C ATOM 569 CE LYS A 38 5.745 2.872 15.237 1.00 0.00 C ATOM 570 NZ LYS A 38 6.867 3.302 16.117 1.00 0.00 N ATOM 0 H LYS A 38 3.760 2.603 10.239 1.00 0.00 H new ATOM 0 HA LYS A 38 6.256 3.598 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.841 0.924 11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.495 1.054 11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.365 2.908 12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.537 1.284 13.441 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.990 1.788 13.863 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.678 3.447 13.390 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.990 3.658 15.200 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.266 1.990 15.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.503 3.506 17.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.575 2.542 16.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.308 4.158 15.724 1.00 0.00 H new ATOM 584 N GLN A 39 6.303 1.526 8.555 1.00 0.00 N ATOM 585 CA GLN A 39 7.137 1.024 7.470 1.00 0.00 C ATOM 586 C GLN A 39 6.441 1.193 6.124 1.00 0.00 C ATOM 587 O GLN A 39 5.534 0.434 5.782 1.00 0.00 O ATOM 588 CB GLN A 39 7.476 -0.450 7.700 1.00 0.00 C ATOM 589 CG GLN A 39 8.804 -0.871 7.091 1.00 0.00 C ATOM 590 CD GLN A 39 9.186 -2.294 7.451 1.00 0.00 C ATOM 591 OE1 GLN A 39 9.298 -2.639 8.628 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.388 -3.127 6.438 1.00 0.00 N ATOM 0 H GLN A 39 5.325 1.241 8.502 1.00 0.00 H new ATOM 0 HA GLN A 39 8.059 1.605 7.456 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.499 -0.646 8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.681 -1.067 7.280 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.748 -0.777 6.006 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.586 -0.192 7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.284 -2.798 5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.647 -4.097 6.619 1.00 0.00 H new ATOM 601 N LYS A 40 6.870 2.195 5.364 1.00 0.00 N ATOM 602 CA LYS A 40 6.289 2.465 4.054 1.00 0.00 C ATOM 603 C LYS A 40 5.912 1.167 3.347 1.00 0.00 C ATOM 604 O LYS A 40 4.872 1.083 2.694 1.00 0.00 O ATOM 605 CB LYS A 40 7.271 3.262 3.192 1.00 0.00 C ATOM 606 CG LYS A 40 7.406 4.716 3.609 1.00 0.00 C ATOM 607 CD LYS A 40 6.178 5.523 3.221 1.00 0.00 C ATOM 608 CE LYS A 40 5.956 6.690 4.172 1.00 0.00 C ATOM 609 NZ LYS A 40 4.517 7.062 4.266 1.00 0.00 N ATOM 0 H LYS A 40 7.618 2.834 5.633 1.00 0.00 H new ATOM 0 HA LYS A 40 5.383 3.054 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.251 2.787 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.946 3.220 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.555 4.774 4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.290 5.149 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.294 5.898 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.300 4.877 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.329 6.428 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.532 7.550 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.400 8.063 4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.962 6.471 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.183 6.912 5.239 1.00 0.00 H new ATOM 623 N TYR A 41 6.764 0.157 3.483 1.00 0.00 N ATOM 624 CA TYR A 41 6.521 -1.137 2.857 1.00 0.00 C ATOM 625 C TYR A 41 6.628 -2.266 3.878 1.00 0.00 C ATOM 626 O TYR A 41 7.077 -2.058 5.006 1.00 0.00 O ATOM 627 CB TYR A 41 7.514 -1.370 1.717 1.00 0.00 C ATOM 628 CG TYR A 41 7.471 -0.301 0.649 1.00 0.00 C ATOM 629 CD1 TYR A 41 7.765 1.023 0.950 1.00 0.00 C ATOM 630 CD2 TYR A 41 7.138 -0.616 -0.663 1.00 0.00 C ATOM 631 CE1 TYR A 41 7.726 2.003 -0.023 1.00 0.00 C ATOM 632 CE2 TYR A 41 7.097 0.357 -1.643 1.00 0.00 C ATOM 633 CZ TYR A 41 7.392 1.665 -1.318 1.00 0.00 C ATOM 634 OH TYR A 41 7.353 2.638 -2.290 1.00 0.00 O ATOM 0 H TYR A 41 7.629 0.210 4.021 1.00 0.00 H new ATOM 0 HA TYR A 41 5.509 -1.132 2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.522 -1.420 2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.308 -2.338 1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.029 1.291 1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.907 -1.639 -0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.956 3.028 0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.836 0.095 -2.658 1.00 0.00 H new ATOM 0 HH TYR A 41 7.102 2.234 -3.147 1.00 0.00 H new ATOM 644 N LEU A 42 6.214 -3.461 3.474 1.00 0.00 N ATOM 645 CA LEU A 42 6.263 -4.625 4.353 1.00 0.00 C ATOM 646 C LEU A 42 6.904 -5.815 3.645 1.00 0.00 C ATOM 647 O LEU A 42 6.530 -6.159 2.524 1.00 0.00 O ATOM 648 CB LEU A 42 4.855 -4.995 4.821 1.00 0.00 C ATOM 649 CG LEU A 42 4.235 -4.076 5.875 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.743 -4.340 6.003 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.928 -4.260 7.217 1.00 0.00 C ATOM 0 H LEU A 42 5.841 -3.650 2.544 1.00 0.00 H new ATOM 0 HA LEU A 42 6.872 -4.369 5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.198 -5.013 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.881 -6.008 5.222 1.00 0.00 H new ATOM 0 HG LEU A 42 4.374 -3.043 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.320 -3.677 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.257 -4.156 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.581 -5.376 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.474 -3.598 7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.821 -5.295 7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.986 -4.019 7.116 1.00 0.00 H new ATOM 663 N SER A 43 7.872 -6.440 4.309 1.00 0.00 N ATOM 664 CA SER A 43 8.567 -7.590 3.743 1.00 0.00 C ATOM 665 C SER A 43 7.610 -8.764 3.554 1.00 0.00 C ATOM 666 O SER A 43 6.437 -8.689 3.920 1.00 0.00 O ATOM 667 CB SER A 43 9.729 -8.005 4.646 1.00 0.00 C ATOM 668 OG SER A 43 10.685 -6.965 4.758 1.00 0.00 O ATOM 0 H SER A 43 8.192 -6.169 5.239 1.00 0.00 H new ATOM 0 HA SER A 43 8.959 -7.303 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.351 -8.263 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.205 -8.899 4.243 1.00 0.00 H new ATOM 0 HG SER A 43 11.417 -7.255 5.342 1.00 0.00 H new ATOM 674 N THR A 44 8.121 -9.849 2.980 1.00 0.00 N ATOM 675 CA THR A 44 7.313 -11.038 2.740 1.00 0.00 C ATOM 676 C THR A 44 6.653 -11.522 4.026 1.00 0.00 C ATOM 677 O THR A 44 5.429 -11.611 4.128 1.00 0.00 O ATOM 678 CB THR A 44 8.160 -12.182 2.150 1.00 0.00 C ATOM 679 OG1 THR A 44 8.124 -12.129 0.719 1.00 0.00 O ATOM 680 CG2 THR A 44 7.649 -13.534 2.626 1.00 0.00 C ATOM 0 H THR A 44 9.090 -9.929 2.673 1.00 0.00 H new ATOM 0 HA THR A 44 6.542 -10.758 2.022 1.00 0.00 H new ATOM 0 HB THR A 44 9.188 -12.059 2.492 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.666 -12.858 0.351 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.262 -14.326 2.197 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.704 -13.581 3.714 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.614 -13.664 2.309 1.00 0.00 H new ATOM 688 N PRO A 45 7.479 -11.841 5.033 1.00 0.00 N ATOM 689 CA PRO A 45 6.996 -12.320 6.332 1.00 0.00 C ATOM 690 C PRO A 45 6.291 -11.227 7.127 1.00 0.00 C ATOM 691 O PRO A 45 5.406 -11.507 7.936 1.00 0.00 O ATOM 692 CB PRO A 45 8.276 -12.760 7.046 1.00 0.00 C ATOM 693 CG PRO A 45 9.358 -11.953 6.416 1.00 0.00 C ATOM 694 CD PRO A 45 8.948 -11.759 4.982 1.00 0.00 C ATOM 0 HA PRO A 45 6.257 -13.114 6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.216 -12.573 8.118 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.453 -13.828 6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.475 -10.994 6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.317 -12.467 6.482 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.284 -10.797 4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.371 -12.528 4.336 1.00 0.00 H new ATOM 702 N ASP A 46 6.688 -9.981 6.892 1.00 0.00 N ATOM 703 CA ASP A 46 6.093 -8.845 7.586 1.00 0.00 C ATOM 704 C ASP A 46 4.638 -8.654 7.167 1.00 0.00 C ATOM 705 O ASP A 46 3.731 -8.706 7.998 1.00 0.00 O ATOM 706 CB ASP A 46 6.890 -7.572 7.301 1.00 0.00 C ATOM 707 CG ASP A 46 8.211 -7.537 8.045 1.00 0.00 C ATOM 708 OD1 ASP A 46 8.975 -8.519 7.941 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.480 -6.529 8.731 1.00 0.00 O ATOM 0 H ASP A 46 7.419 -9.732 6.226 1.00 0.00 H new ATOM 0 HA ASP A 46 6.120 -9.049 8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.077 -7.496 6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.295 -6.703 7.582 1.00 0.00 H new ATOM 714 N ARG A 47 4.425 -8.432 5.874 1.00 0.00 N ATOM 715 CA ARG A 47 3.081 -8.230 5.346 1.00 0.00 C ATOM 716 C ARG A 47 2.154 -9.367 5.768 1.00 0.00 C ATOM 717 O ARG A 47 1.017 -9.133 6.179 1.00 0.00 O ATOM 718 CB ARG A 47 3.120 -8.131 3.820 1.00 0.00 C ATOM 719 CG ARG A 47 1.747 -7.988 3.184 1.00 0.00 C ATOM 720 CD ARG A 47 1.849 -7.756 1.684 1.00 0.00 C ATOM 721 NE ARG A 47 2.612 -6.552 1.367 1.00 0.00 N ATOM 722 CZ ARG A 47 3.937 -6.525 1.272 1.00 0.00 C ATOM 723 NH1 ARG A 47 4.641 -7.631 1.469 1.00 0.00 N ATOM 724 NH2 ARG A 47 4.559 -5.390 0.980 1.00 0.00 N ATOM 0 H ARG A 47 5.165 -8.387 5.173 1.00 0.00 H new ATOM 0 HA ARG A 47 2.694 -7.297 5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.734 -7.276 3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.606 -9.020 3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.161 -8.887 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.215 -7.156 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.322 -8.619 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.848 -7.672 1.261 1.00 0.00 H new ATOM 0 HE ARG A 47 2.100 -5.684 1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.166 -8.505 1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.658 -7.608 1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.020 -4.537 0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.576 -5.370 0.907 1.00 0.00 H new ATOM 738 N ILE A 48 2.649 -10.596 5.664 1.00 0.00 N ATOM 739 CA ILE A 48 1.865 -11.767 6.036 1.00 0.00 C ATOM 740 C ILE A 48 1.483 -11.728 7.512 1.00 0.00 C ATOM 741 O ILE A 48 0.302 -11.761 7.859 1.00 0.00 O ATOM 742 CB ILE A 48 2.633 -13.072 5.751 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.988 -13.167 4.266 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.811 -14.276 6.183 1.00 0.00 C ATOM 745 CD1 ILE A 48 4.083 -14.167 3.969 1.00 0.00 C ATOM 0 H ILE A 48 3.588 -10.806 5.326 1.00 0.00 H new ATOM 0 HA ILE A 48 0.960 -11.746 5.429 1.00 0.00 H new ATOM 0 HB ILE A 48 3.559 -13.064 6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.095 -13.441 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.299 -12.184 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.367 -15.190 5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.605 -14.212 7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.870 -14.291 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.282 -14.181 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.990 -13.883 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.767 -15.159 4.292 1.00 0.00 H new ATOM 757 N ASP A 49 2.489 -11.654 8.376 1.00 0.00 N ATOM 758 CA ASP A 49 2.259 -11.606 9.815 1.00 0.00 C ATOM 759 C ASP A 49 1.113 -10.657 10.151 1.00 0.00 C ATOM 760 O ASP A 49 0.191 -11.014 10.886 1.00 0.00 O ATOM 761 CB ASP A 49 3.531 -11.166 10.542 1.00 0.00 C ATOM 762 CG ASP A 49 3.441 -11.372 12.042 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.673 -12.510 12.499 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.137 -10.394 12.757 1.00 0.00 O ATOM 0 H ASP A 49 3.472 -11.626 8.105 1.00 0.00 H new ATOM 0 HA ASP A 49 1.987 -12.608 10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.381 -11.725 10.152 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.720 -10.113 10.333 1.00 0.00 H new ATOM 769 N LEU A 50 1.176 -9.445 9.609 1.00 0.00 N ATOM 770 CA LEU A 50 0.144 -8.444 9.851 1.00 0.00 C ATOM 771 C LEU A 50 -1.218 -8.938 9.374 1.00 0.00 C ATOM 772 O LEU A 50 -2.138 -9.117 10.171 1.00 0.00 O ATOM 773 CB LEU A 50 0.500 -7.134 9.145 1.00 0.00 C ATOM 774 CG LEU A 50 -0.659 -6.168 8.898 1.00 0.00 C ATOM 775 CD1 LEU A 50 -1.155 -5.584 10.212 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.235 -5.059 7.946 1.00 0.00 C ATOM 0 H LEU A 50 1.931 -9.133 8.999 1.00 0.00 H new ATOM 0 HA LEU A 50 0.090 -8.268 10.925 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.256 -6.619 9.738 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.957 -7.374 8.185 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.477 -6.722 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.980 -4.899 10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.498 -6.389 10.862 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.343 -5.045 10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.072 -4.381 7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.599 -4.507 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.072 -5.494 6.995 1.00 0.00 H new ATOM 788 N ALA A 51 -1.337 -9.159 8.069 1.00 0.00 N ATOM 789 CA ALA A 51 -2.585 -9.637 7.486 1.00 0.00 C ATOM 790 C ALA A 51 -3.257 -10.662 8.393 1.00 0.00 C ATOM 791 O ALA A 51 -4.483 -10.762 8.429 1.00 0.00 O ATOM 792 CB ALA A 51 -2.329 -10.235 6.110 1.00 0.00 C ATOM 0 H ALA A 51 -0.585 -9.015 7.396 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.258 -8.786 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.269 -10.588 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.899 -9.475 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.635 -11.071 6.200 1.00 0.00 H new ATOM 798 N GLU A 52 -2.447 -11.420 9.125 1.00 0.00 N ATOM 799 CA GLU A 52 -2.965 -12.438 10.031 1.00 0.00 C ATOM 800 C GLU A 52 -3.445 -11.811 11.336 1.00 0.00 C ATOM 801 O GLU A 52 -4.538 -12.112 11.818 1.00 0.00 O ATOM 802 CB GLU A 52 -1.891 -13.489 10.322 1.00 0.00 C ATOM 803 CG GLU A 52 -1.894 -14.649 9.341 1.00 0.00 C ATOM 804 CD GLU A 52 -2.907 -15.717 9.703 1.00 0.00 C ATOM 805 OE1 GLU A 52 -2.831 -16.249 10.831 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.776 -16.022 8.860 1.00 0.00 O ATOM 0 H GLU A 52 -1.430 -11.348 9.108 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.813 -12.921 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.912 -13.011 10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.037 -13.876 11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.110 -14.273 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.899 -15.094 9.307 1.00 0.00 H new ATOM 813 N SER A 53 -2.621 -10.937 11.905 1.00 0.00 N ATOM 814 CA SER A 53 -2.958 -10.270 13.157 1.00 0.00 C ATOM 815 C SER A 53 -4.349 -9.648 13.083 1.00 0.00 C ATOM 816 O SER A 53 -5.189 -9.873 13.956 1.00 0.00 O ATOM 817 CB SER A 53 -1.921 -9.192 13.480 1.00 0.00 C ATOM 818 OG SER A 53 -2.070 -8.724 14.810 1.00 0.00 O ATOM 0 H SER A 53 -1.714 -10.674 11.518 1.00 0.00 H new ATOM 0 HA SER A 53 -2.955 -11.017 13.951 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.918 -9.595 13.343 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.028 -8.360 12.784 1.00 0.00 H new ATOM 0 HG SER A 53 -1.395 -8.037 14.993 1.00 0.00 H new ATOM 824 N LEU A 54 -4.586 -8.866 12.036 1.00 0.00 N ATOM 825 CA LEU A 54 -5.875 -8.210 11.847 1.00 0.00 C ATOM 826 C LEU A 54 -6.860 -9.139 11.145 1.00 0.00 C ATOM 827 O LEU A 54 -8.073 -8.953 11.231 1.00 0.00 O ATOM 828 CB LEU A 54 -5.701 -6.925 11.035 1.00 0.00 C ATOM 829 CG LEU A 54 -4.762 -5.876 11.631 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.492 -4.768 10.625 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.347 -5.303 12.914 1.00 0.00 C ATOM 0 H LEU A 54 -3.902 -8.671 11.305 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.276 -7.960 12.829 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.333 -7.192 10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.682 -6.470 10.898 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.815 -6.359 11.871 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.822 -4.031 11.067 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.029 -5.191 9.733 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.431 -4.287 10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.665 -4.558 13.324 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.308 -4.836 12.699 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.488 -6.104 13.639 1.00 0.00 H new ATOM 843 N GLY A 55 -6.330 -10.142 10.453 1.00 0.00 N ATOM 844 CA GLY A 55 -7.177 -11.087 9.748 1.00 0.00 C ATOM 845 C GLY A 55 -7.248 -10.805 8.261 1.00 0.00 C ATOM 846 O GLY A 55 -7.830 -11.580 7.501 1.00 0.00 O ATOM 0 H GLY A 55 -5.329 -10.318 10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.798 -12.097 9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.182 -11.054 10.169 1.00 0.00 H new ATOM 850 N LEU A 56 -6.657 -9.691 7.843 1.00 0.00 N ATOM 851 CA LEU A 56 -6.657 -9.307 6.436 1.00 0.00 C ATOM 852 C LEU A 56 -5.806 -10.266 5.609 1.00 0.00 C ATOM 853 O LEU A 56 -5.168 -11.169 6.150 1.00 0.00 O ATOM 854 CB LEU A 56 -6.134 -7.878 6.277 1.00 0.00 C ATOM 855 CG LEU A 56 -6.944 -6.785 6.977 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.161 -5.482 7.014 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.283 -6.586 6.282 1.00 0.00 C ATOM 0 H LEU A 56 -6.172 -9.038 8.458 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.683 -9.355 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.112 -7.842 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.090 -7.645 5.213 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.134 -7.100 8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.753 -4.716 7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.228 -5.633 7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.940 -5.161 5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.846 -5.805 6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.115 -6.293 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.849 -7.517 6.309 1.00 0.00 H new ATOM 869 N SER A 57 -5.801 -10.063 4.296 1.00 0.00 N ATOM 870 CA SER A 57 -5.030 -10.910 3.394 1.00 0.00 C ATOM 871 C SER A 57 -3.838 -10.150 2.820 1.00 0.00 C ATOM 872 O SER A 57 -3.917 -8.947 2.574 1.00 0.00 O ATOM 873 CB SER A 57 -5.917 -11.423 2.258 1.00 0.00 C ATOM 874 OG SER A 57 -6.680 -12.543 2.673 1.00 0.00 O ATOM 0 H SER A 57 -6.323 -9.319 3.833 1.00 0.00 H new ATOM 0 HA SER A 57 -4.656 -11.760 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.584 -10.628 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.298 -11.697 1.404 1.00 0.00 H new ATOM 0 HG SER A 57 -7.240 -12.851 1.930 1.00 0.00 H new ATOM 880 N GLN A 58 -2.736 -10.862 2.610 1.00 0.00 N ATOM 881 CA GLN A 58 -1.527 -10.255 2.066 1.00 0.00 C ATOM 882 C GLN A 58 -1.871 -9.201 1.019 1.00 0.00 C ATOM 883 O GLN A 58 -1.287 -8.116 1.000 1.00 0.00 O ATOM 884 CB GLN A 58 -0.625 -11.327 1.450 1.00 0.00 C ATOM 885 CG GLN A 58 -0.196 -12.401 2.436 1.00 0.00 C ATOM 886 CD GLN A 58 0.283 -13.665 1.750 1.00 0.00 C ATOM 887 OE1 GLN A 58 -0.512 -14.545 1.419 1.00 0.00 O ATOM 888 NE2 GLN A 58 1.590 -13.762 1.532 1.00 0.00 N ATOM 0 H GLN A 58 -2.655 -11.859 2.808 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.995 -9.769 2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.150 -11.798 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.263 -10.849 1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.602 -12.011 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.033 -12.643 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.213 -13.008 1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.971 -14.590 1.074 1.00 0.00 H new ATOM 897 N LEU A 59 -2.821 -9.526 0.149 1.00 0.00 N ATOM 898 CA LEU A 59 -3.243 -8.606 -0.901 1.00 0.00 C ATOM 899 C LEU A 59 -3.615 -7.247 -0.318 1.00 0.00 C ATOM 900 O LEU A 59 -3.054 -6.221 -0.703 1.00 0.00 O ATOM 901 CB LEU A 59 -4.432 -9.188 -1.668 1.00 0.00 C ATOM 902 CG LEU A 59 -5.192 -8.213 -2.568 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.446 -8.001 -3.876 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.603 -8.720 -2.832 1.00 0.00 C ATOM 0 H LEU A 59 -3.313 -10.419 0.150 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.407 -8.469 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.073 -10.014 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.133 -9.608 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.262 -7.254 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.002 -7.304 -4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.457 -7.593 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.343 -8.954 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.129 -8.014 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.554 -9.691 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.137 -8.819 -1.887 1.00 0.00 H new ATOM 916 N GLN A 60 -4.563 -7.248 0.614 1.00 0.00 N ATOM 917 CA GLN A 60 -5.008 -6.014 1.251 1.00 0.00 C ATOM 918 C GLN A 60 -3.845 -5.044 1.432 1.00 0.00 C ATOM 919 O GLN A 60 -3.866 -3.930 0.909 1.00 0.00 O ATOM 920 CB GLN A 60 -5.650 -6.318 2.606 1.00 0.00 C ATOM 921 CG GLN A 60 -6.825 -7.279 2.521 1.00 0.00 C ATOM 922 CD GLN A 60 -7.981 -6.717 1.718 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.815 -6.317 0.565 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.162 -6.683 2.324 1.00 0.00 N ATOM 0 H GLN A 60 -5.037 -8.089 0.944 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.749 -5.547 0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.895 -6.738 3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.987 -5.384 3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.493 -8.213 2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.169 -7.517 3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.254 -7.025 3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.977 -6.315 1.833 1.00 0.00 H new ATOM 933 N VAL A 61 -2.832 -5.475 2.177 1.00 0.00 N ATOM 934 CA VAL A 61 -1.660 -4.645 2.427 1.00 0.00 C ATOM 935 C VAL A 61 -1.027 -4.180 1.120 1.00 0.00 C ATOM 936 O VAL A 61 -0.841 -2.984 0.898 1.00 0.00 O ATOM 937 CB VAL A 61 -0.603 -5.401 3.255 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.637 -4.542 3.450 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.183 -5.827 4.595 1.00 0.00 C ATOM 0 H VAL A 61 -2.800 -6.394 2.618 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.001 -3.777 2.992 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.311 -6.298 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.372 -5.092 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.062 -4.291 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.366 -3.626 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.424 -6.360 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.503 -4.945 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.038 -6.482 4.430 1.00 0.00 H new ATOM 949 N LYS A 62 -0.698 -5.135 0.256 1.00 0.00 N ATOM 950 CA LYS A 62 -0.088 -4.825 -1.032 1.00 0.00 C ATOM 951 C LYS A 62 -0.840 -3.699 -1.734 1.00 0.00 C ATOM 952 O LYS A 62 -0.282 -2.632 -1.994 1.00 0.00 O ATOM 953 CB LYS A 62 -0.064 -6.070 -1.921 1.00 0.00 C ATOM 954 CG LYS A 62 0.743 -5.892 -3.196 1.00 0.00 C ATOM 955 CD LYS A 62 -0.042 -5.130 -4.251 1.00 0.00 C ATOM 956 CE LYS A 62 0.491 -5.406 -5.649 1.00 0.00 C ATOM 957 NZ LYS A 62 -0.332 -4.743 -6.697 1.00 0.00 N ATOM 0 H LYS A 62 -0.844 -6.130 0.425 1.00 0.00 H new ATOM 0 HA LYS A 62 0.935 -4.496 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.349 -6.904 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.087 -6.339 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.666 -5.358 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.027 -6.869 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.093 -5.413 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.011 -4.061 -4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.521 -5.056 -5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.507 -6.481 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.064 -4.955 -7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.309 -5.095 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.326 -3.714 -6.544 1.00 0.00 H new ATOM 971 N THR A 63 -2.111 -3.943 -2.038 1.00 0.00 N ATOM 972 CA THR A 63 -2.940 -2.950 -2.709 1.00 0.00 C ATOM 973 C THR A 63 -3.124 -1.709 -1.842 1.00 0.00 C ATOM 974 O THR A 63 -2.691 -0.616 -2.207 1.00 0.00 O ATOM 975 CB THR A 63 -4.325 -3.522 -3.066 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.176 -4.733 -3.816 1.00 0.00 O ATOM 977 CG2 THR A 63 -5.136 -2.517 -3.870 1.00 0.00 C ATOM 0 H THR A 63 -2.588 -4.820 -1.830 1.00 0.00 H new ATOM 0 HA THR A 63 -2.421 -2.675 -3.627 1.00 0.00 H new ATOM 0 HB THR A 63 -4.857 -3.733 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.061 -5.091 -4.038 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.110 -2.944 -4.110 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.273 -1.608 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.607 -2.278 -4.793 1.00 0.00 H new ATOM 985 N TRP A 64 -3.767 -1.886 -0.694 1.00 0.00 N ATOM 986 CA TRP A 64 -4.007 -0.780 0.226 1.00 0.00 C ATOM 987 C TRP A 64 -2.811 0.165 0.264 1.00 0.00 C ATOM 988 O TRP A 64 -2.966 1.381 0.148 1.00 0.00 O ATOM 989 CB TRP A 64 -4.297 -1.311 1.630 1.00 0.00 C ATOM 990 CG TRP A 64 -4.913 -0.289 2.537 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.194 0.182 2.491 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.273 0.390 3.623 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.389 1.113 3.482 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.226 1.258 4.191 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.989 0.348 4.171 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.933 2.075 5.279 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.699 1.161 5.251 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.667 2.014 5.796 1.00 0.00 C ATOM 0 H TRP A 64 -4.132 -2.785 -0.378 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.874 -0.225 -0.131 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.965 -2.169 1.555 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.368 -1.668 2.075 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.944 -0.132 1.780 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.259 1.615 3.661 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.236 -0.308 3.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.678 2.734 5.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.709 1.138 5.682 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.410 2.636 6.641 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.621 -0.400 0.426 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.399 0.394 0.482 1.00 0.00 C ATOM 1011 C TYR A 65 -0.219 1.206 -0.797 1.00 0.00 C ATOM 1012 O TYR A 65 -0.267 2.436 -0.775 1.00 0.00 O ATOM 1013 CB TYR A 65 0.814 -0.513 0.698 1.00 0.00 C ATOM 1014 CG TYR A 65 1.145 -0.745 2.155 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.173 -1.179 3.048 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.430 -0.531 2.638 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.471 -1.391 4.380 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.737 -0.742 3.969 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.754 -1.171 4.835 1.00 0.00 C ATOM 1020 OH TYR A 65 2.055 -1.383 6.161 1.00 0.00 O ATOM 0 H TYR A 65 -1.476 -1.405 0.521 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.482 1.084 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.628 -1.474 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.679 -0.072 0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.833 -1.354 2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.202 -0.194 1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.297 -1.727 5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.741 -0.572 4.328 1.00 0.00 H new ATOM 0 HH TYR A 65 3.017 -1.260 6.302 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.012 0.509 -1.909 1.00 0.00 N ATOM 1031 CA GLN A 66 0.175 1.165 -3.198 1.00 0.00 C ATOM 1032 C GLN A 66 -0.701 2.408 -3.309 1.00 0.00 C ATOM 1033 O GLN A 66 -0.229 3.481 -3.683 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.146 0.197 -4.338 1.00 0.00 C ATOM 1035 CG GLN A 66 0.524 0.563 -5.653 1.00 0.00 C ATOM 1036 CD GLN A 66 0.181 -0.403 -6.771 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -0.940 -0.907 -6.849 1.00 0.00 O ATOM 1038 NE2 GLN A 66 1.146 -0.665 -7.644 1.00 0.00 N ATOM 0 H GLN A 66 0.031 -0.510 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 66 1.219 1.471 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.164 -0.807 -4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.226 0.167 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.222 1.570 -5.942 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.605 0.582 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.060 -0.225 -7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.973 -1.307 -8.418 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.980 2.255 -2.980 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.923 3.366 -3.044 1.00 0.00 C ATOM 1049 C ASN A 67 -2.603 4.413 -1.981 1.00 0.00 C ATOM 1050 O ASN A 67 -2.338 5.573 -2.298 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.355 2.858 -2.860 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.891 2.179 -4.105 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.146 1.905 -5.047 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -6.190 1.904 -4.116 1.00 0.00 N ATOM 0 H ASN A 67 -2.387 1.374 -2.667 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.832 3.831 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.385 2.157 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.003 3.694 -2.597 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.608 1.448 -4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.770 2.149 -3.313 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.629 3.995 -0.720 1.00 0.00 N ATOM 1062 CA ARG A 68 -2.342 4.896 0.390 1.00 0.00 C ATOM 1063 C ARG A 68 -1.150 5.793 0.068 1.00 0.00 C ATOM 1064 O ARG A 68 -1.221 7.013 0.215 1.00 0.00 O ATOM 1065 CB ARG A 68 -2.064 4.097 1.664 1.00 0.00 C ATOM 1066 CG ARG A 68 -3.322 3.665 2.399 1.00 0.00 C ATOM 1067 CD ARG A 68 -4.012 4.845 3.065 1.00 0.00 C ATOM 1068 NE ARG A 68 -5.368 4.515 3.495 1.00 0.00 N ATOM 1069 CZ ARG A 68 -6.271 5.425 3.843 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -5.963 6.714 3.812 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -7.484 5.046 4.224 1.00 0.00 N ATOM 0 H ARG A 68 -2.846 3.038 -0.441 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.217 5.527 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.481 3.212 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.451 4.700 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.008 3.189 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.067 2.919 3.152 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.427 5.168 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.046 5.684 2.370 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.637 3.532 3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.031 7.009 3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.658 7.411 4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.724 4.055 4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.177 5.746 4.491 1.00 0.00 H new ATOM 1085 N ARG A 69 -0.056 5.179 -0.371 1.00 0.00 N ATOM 1086 CA ARG A 69 1.152 5.921 -0.712 1.00 0.00 C ATOM 1087 C ARG A 69 0.806 7.225 -1.425 1.00 0.00 C ATOM 1088 O ARG A 69 1.159 8.309 -0.962 1.00 0.00 O ATOM 1089 CB ARG A 69 2.066 5.071 -1.596 1.00 0.00 C ATOM 1090 CG ARG A 69 2.924 4.088 -0.817 1.00 0.00 C ATOM 1091 CD ARG A 69 4.020 3.493 -1.688 1.00 0.00 C ATOM 1092 NE ARG A 69 3.578 2.282 -2.373 1.00 0.00 N ATOM 1093 CZ ARG A 69 3.582 1.078 -1.812 1.00 0.00 C ATOM 1094 NH1 ARG A 69 4.002 0.925 -0.564 1.00 0.00 N ATOM 1095 NH2 ARG A 69 3.165 0.022 -2.500 1.00 0.00 N ATOM 0 H ARG A 69 0.019 4.170 -0.499 1.00 0.00 H new ATOM 0 HA ARG A 69 1.674 6.161 0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.456 4.520 -2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.715 5.730 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.372 4.593 0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.297 3.288 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.338 4.231 -2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.889 3.264 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 69 3.248 2.365 -3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.323 1.733 -0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.004 -0.001 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.841 0.135 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.169 -0.902 -2.068 1.00 0.00 H new ATOM 1109 N MET A 70 0.114 7.110 -2.553 1.00 0.00 N ATOM 1110 CA MET A 70 -0.280 8.280 -3.330 1.00 0.00 C ATOM 1111 C MET A 70 -0.608 9.455 -2.414 1.00 0.00 C ATOM 1112 O MET A 70 -0.116 10.566 -2.611 1.00 0.00 O ATOM 1113 CB MET A 70 -1.489 7.952 -4.209 1.00 0.00 C ATOM 1114 CG MET A 70 -1.204 6.894 -5.263 1.00 0.00 C ATOM 1115 SD MET A 70 -0.474 7.584 -6.760 1.00 0.00 S ATOM 1116 CE MET A 70 -0.986 6.371 -7.976 1.00 0.00 C ATOM 0 H MET A 70 -0.186 6.219 -2.950 1.00 0.00 H new ATOM 0 HA MET A 70 0.558 8.561 -3.967 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.307 7.610 -3.575 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.827 8.863 -4.702 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.531 6.145 -4.847 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.132 6.382 -5.518 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.610 6.659 -8.958 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.586 5.394 -7.706 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.075 6.322 -8.005 1.00 0.00 H new ATOM 1126 N LYS A 71 -1.442 9.203 -1.411 1.00 0.00 N ATOM 1127 CA LYS A 71 -1.836 10.239 -0.463 1.00 0.00 C ATOM 1128 C LYS A 71 -0.614 10.840 0.224 1.00 0.00 C ATOM 1129 O LYS A 71 -0.456 12.060 0.275 1.00 0.00 O ATOM 1130 CB LYS A 71 -2.792 9.665 0.584 1.00 0.00 C ATOM 1131 CG LYS A 71 -4.198 9.431 0.061 1.00 0.00 C ATOM 1132 CD LYS A 71 -5.097 8.826 1.126 1.00 0.00 C ATOM 1133 CE LYS A 71 -6.440 8.405 0.550 1.00 0.00 C ATOM 1134 NZ LYS A 71 -6.293 7.338 -0.477 1.00 0.00 N ATOM 0 H LYS A 71 -1.859 8.289 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.345 11.028 -1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.389 8.722 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.838 10.346 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.622 10.375 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.160 8.768 -0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.604 7.962 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.254 9.550 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.084 8.049 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.932 9.270 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.201 6.846 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.006 7.764 -1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.569 6.658 -0.170 1.00 0.00 H new ATOM 1148 N TRP A 72 0.248 9.977 0.749 1.00 0.00 N ATOM 1149 CA TRP A 72 1.457 10.423 1.432 1.00 0.00 C ATOM 1150 C TRP A 72 2.360 11.205 0.484 1.00 0.00 C ATOM 1151 O TRP A 72 2.927 12.233 0.857 1.00 0.00 O ATOM 1152 CB TRP A 72 2.215 9.226 2.007 1.00 0.00 C ATOM 1153 CG TRP A 72 3.673 9.494 2.226 1.00 0.00 C ATOM 1154 CD1 TRP A 72 4.240 10.108 3.306 1.00 0.00 C ATOM 1155 CD2 TRP A 72 4.748 9.161 1.341 1.00 0.00 C ATOM 1156 NE1 TRP A 72 5.603 10.175 3.147 1.00 0.00 N ATOM 1157 CE2 TRP A 72 5.940 9.600 1.950 1.00 0.00 C ATOM 1158 CE3 TRP A 72 4.820 8.532 0.096 1.00 0.00 C ATOM 1159 CZ2 TRP A 72 7.186 9.431 1.353 1.00 0.00 C ATOM 1160 CZ3 TRP A 72 6.058 8.365 -0.496 1.00 0.00 C ATOM 1161 CH2 TRP A 72 7.227 8.812 0.133 1.00 0.00 C ATOM 0 H TRP A 72 0.132 8.964 0.715 1.00 0.00 H new ATOM 0 HA TRP A 72 1.161 11.082 2.248 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.760 8.938 2.955 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.107 8.378 1.331 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.697 10.485 4.160 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.258 10.586 3.812 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.924 8.182 -0.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.089 9.776 1.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 6.125 7.882 -1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.180 8.665 -0.354 1.00 0.00 H new ATOM 1172 N LYS A 73 2.491 10.712 -0.742 1.00 0.00 N ATOM 1173 CA LYS A 73 3.325 11.364 -1.745 1.00 0.00 C ATOM 1174 C LYS A 73 2.572 12.508 -2.417 1.00 0.00 C ATOM 1175 O LYS A 73 1.363 12.658 -2.240 1.00 0.00 O ATOM 1176 CB LYS A 73 3.780 10.351 -2.798 1.00 0.00 C ATOM 1177 CG LYS A 73 2.632 9.650 -3.503 1.00 0.00 C ATOM 1178 CD LYS A 73 3.119 8.461 -4.315 1.00 0.00 C ATOM 1179 CE LYS A 73 3.550 8.881 -5.712 1.00 0.00 C ATOM 1180 NZ LYS A 73 3.948 7.711 -6.544 1.00 0.00 N ATOM 0 H LYS A 73 2.030 9.862 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 73 4.201 11.774 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.394 10.862 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.413 9.603 -2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.902 9.314 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.122 10.355 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.955 7.986 -3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.325 7.717 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.733 9.413 -6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.386 9.577 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.235 8.038 -7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.744 7.218 -6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.143 7.059 -6.634 1.00 0.00 H new ATOM 1194 N LYS A 74 3.295 13.313 -3.189 1.00 0.00 N ATOM 1195 CA LYS A 74 2.696 14.442 -3.891 1.00 0.00 C ATOM 1196 C LYS A 74 1.724 15.191 -2.985 1.00 0.00 C ATOM 1197 O LYS A 74 0.672 15.649 -3.432 1.00 0.00 O ATOM 1198 CB LYS A 74 1.970 13.960 -5.149 1.00 0.00 C ATOM 1199 CG LYS A 74 1.867 15.018 -6.234 1.00 0.00 C ATOM 1200 CD LYS A 74 1.189 14.475 -7.480 1.00 0.00 C ATOM 1201 CE LYS A 74 1.130 15.520 -8.584 1.00 0.00 C ATOM 1202 NZ LYS A 74 0.074 15.210 -9.586 1.00 0.00 N ATOM 0 H LYS A 74 4.297 13.204 -3.344 1.00 0.00 H new ATOM 0 HA LYS A 74 3.495 15.124 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.492 13.091 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.967 13.632 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.306 15.873 -5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.864 15.378 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.729 13.598 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.179 14.148 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.939 16.500 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.098 15.577 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.066 15.946 -10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.270 14.286 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.853 15.181 -9.116 1.00 0.00 H new ATOM 1216 N SER A 75 2.083 15.313 -1.711 1.00 0.00 N ATOM 1217 CA SER A 75 1.240 16.005 -0.743 1.00 0.00 C ATOM 1218 C SER A 75 2.084 16.859 0.198 1.00 0.00 C ATOM 1219 O SER A 75 2.768 16.342 1.080 1.00 0.00 O ATOM 1220 CB SER A 75 0.420 14.996 0.064 1.00 0.00 C ATOM 1221 OG SER A 75 -0.585 14.399 -0.737 1.00 0.00 O ATOM 0 H SER A 75 2.951 14.942 -1.325 1.00 0.00 H new ATOM 0 HA SER A 75 0.561 16.659 -1.290 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.078 14.224 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.039 15.495 0.917 1.00 0.00 H new ATOM 0 HG SER A 75 -0.844 13.537 -0.349 1.00 0.00 H new ATOM 1227 N GLY A 76 2.029 18.174 0.003 1.00 0.00 N ATOM 1228 CA GLY A 76 2.792 19.080 0.841 1.00 0.00 C ATOM 1229 C GLY A 76 2.406 20.531 0.627 1.00 0.00 C ATOM 1230 O GLY A 76 1.593 21.094 1.359 1.00 0.00 O ATOM 0 H GLY A 76 1.470 18.627 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.640 18.817 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.855 18.955 0.632 1.00 0.00 H new ATOM 1234 N PRO A 77 3.000 21.159 -0.399 1.00 0.00 N ATOM 1235 CA PRO A 77 2.730 22.562 -0.730 1.00 0.00 C ATOM 1236 C PRO A 77 1.327 22.765 -1.290 1.00 0.00 C ATOM 1237 O PRO A 77 0.864 23.897 -1.435 1.00 0.00 O ATOM 1238 CB PRO A 77 3.782 22.883 -1.795 1.00 0.00 C ATOM 1239 CG PRO A 77 4.110 21.568 -2.413 1.00 0.00 C ATOM 1240 CD PRO A 77 3.979 20.550 -1.314 1.00 0.00 C ATOM 0 HA PRO A 77 2.782 23.206 0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.395 23.583 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.665 23.344 -1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.431 21.343 -3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.120 21.571 -2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.630 19.590 -1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.933 20.368 -0.819 1.00 0.00 H new ATOM 1248 N SER A 78 0.653 21.663 -1.603 1.00 0.00 N ATOM 1249 CA SER A 78 -0.697 21.721 -2.151 1.00 0.00 C ATOM 1250 C SER A 78 -0.810 22.820 -3.203 1.00 0.00 C ATOM 1251 O SER A 78 -1.794 23.557 -3.243 1.00 0.00 O ATOM 1252 CB SER A 78 -1.713 21.964 -1.033 1.00 0.00 C ATOM 1253 OG SER A 78 -2.976 21.413 -1.364 1.00 0.00 O ATOM 0 H SER A 78 1.020 20.719 -1.486 1.00 0.00 H new ATOM 0 HA SER A 78 -0.911 20.764 -2.626 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.351 21.521 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.815 23.035 -0.856 1.00 0.00 H new ATOM 0 HG SER A 78 -3.607 21.580 -0.633 1.00 0.00 H new ATOM 1259 N SER A 79 0.207 22.922 -4.054 1.00 0.00 N ATOM 1260 CA SER A 79 0.225 23.932 -5.105 1.00 0.00 C ATOM 1261 C SER A 79 0.037 23.292 -6.477 1.00 0.00 C ATOM 1262 O SER A 79 1.005 22.914 -7.136 1.00 0.00 O ATOM 1263 CB SER A 79 1.541 24.712 -5.069 1.00 0.00 C ATOM 1264 OG SER A 79 1.377 26.013 -5.606 1.00 0.00 O ATOM 0 H SER A 79 1.028 22.318 -4.036 1.00 0.00 H new ATOM 0 HA SER A 79 -0.602 24.620 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.898 24.782 -4.042 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.302 24.175 -5.635 1.00 0.00 H new ATOM 0 HG SER A 79 2.231 26.492 -5.570 1.00 0.00 H new ATOM 1270 N GLY A 80 -1.218 23.174 -6.902 1.00 0.00 N ATOM 1271 CA GLY A 80 -1.511 22.579 -8.192 1.00 0.00 C ATOM 1272 C GLY A 80 -1.876 21.112 -8.085 1.00 0.00 C ATOM 1273 O GLY A 80 -2.789 20.745 -7.345 1.00 0.00 O ATOM 0 H GLY A 80 -2.036 23.480 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.332 23.121 -8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.644 22.688 -8.844 1.00 0.00 H new TER 1277 GLY A 80