USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 73:sc= 0.29 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 32:sc= 0.251 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -41:sc= 0.296 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.725 K(o=-0.72,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.6!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.481 K(o=-0.48,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.055 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -39:sc= -0.0448 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.27 K(o=-0.27,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -101:sc= 0.0622 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 1 2.590 6.533 -2.652 1.00 55.35 N ATOM 9 CA MET A 1 3.924 6.256 -2.134 1.00 62.03 C ATOM 10 C MET A 1 4.825 5.690 -3.227 1.00 71.44 C ATOM 11 O MET A 1 5.739 6.364 -3.701 1.00 20.21 O ATOM 12 CB MET A 1 3.846 5.275 -0.963 1.00 0.33 C ATOM 13 CG MET A 1 3.450 5.929 0.351 1.00 23.25 C ATOM 14 SD MET A 1 3.966 4.968 1.788 1.00 51.42 S ATOM 15 CE MET A 1 2.427 4.165 2.228 1.00 71.42 C ATOM 0 H1 MET A 1 1.995 6.917 -1.891 1.00 55.35 H new ATOM 0 H2 MET A 1 2.655 7.226 -3.424 1.00 55.35 H new ATOM 0 H3 MET A 1 2.167 5.653 -3.011 1.00 55.35 H new ATOM 0 HA MET A 1 4.353 7.195 -1.784 1.00 62.03 H new ATOM 0 HB2 MET A 1 3.125 4.493 -1.202 1.00 0.33 H new ATOM 0 HB3 MET A 1 4.814 4.790 -0.841 1.00 0.33 H new ATOM 0 HG2 MET A 1 3.893 6.923 0.406 1.00 23.25 H new ATOM 0 HG3 MET A 1 2.368 6.060 0.376 1.00 23.25 H new ATOM 0 HE1 MET A 1 2.583 3.533 3.102 1.00 71.42 H new ATOM 0 HE2 MET A 1 1.675 4.920 2.456 1.00 71.42 H new ATOM 0 HE3 MET A 1 2.085 3.552 1.394 1.00 71.42 H new ATOM 25 N GLN A 2 4.560 4.448 -3.622 1.00 41.52 N ATOM 26 CA GLN A 2 5.348 3.792 -4.659 1.00 4.53 C ATOM 27 C GLN A 2 4.714 3.990 -6.032 1.00 4.04 C ATOM 28 O GLN A 2 3.522 3.746 -6.216 1.00 33.30 O ATOM 29 CB GLN A 2 5.485 2.299 -4.357 1.00 12.12 C ATOM 30 CG GLN A 2 6.568 1.610 -5.171 1.00 2.40 C ATOM 31 CD GLN A 2 7.030 0.309 -4.545 1.00 41.22 C ATOM 32 OE1 GLN A 2 6.256 -0.639 -4.413 1.00 73.15 O ATOM 33 NE2 GLN A 2 8.298 0.257 -4.155 1.00 65.13 N ATOM 0 H GLN A 2 3.806 3.877 -3.240 1.00 41.52 H new ATOM 0 HA GLN A 2 6.339 4.246 -4.669 1.00 4.53 H new ATOM 0 HB2 GLN A 2 5.702 2.170 -3.297 1.00 12.12 H new ATOM 0 HB3 GLN A 2 4.531 1.809 -4.549 1.00 12.12 H new ATOM 0 HG2 GLN A 2 6.192 1.412 -6.175 1.00 2.40 H new ATOM 0 HG3 GLN A 2 7.420 2.281 -5.276 1.00 2.40 H new ATOM 0 HE21 GLN A 2 8.905 1.067 -4.284 1.00 65.13 H new ATOM 0 HE22 GLN A 2 8.665 -0.593 -3.727 1.00 65.13 H new ATOM 42 N ILE A 3 5.519 4.434 -6.991 1.00 64.42 N ATOM 43 CA ILE A 3 5.037 4.663 -8.347 1.00 55.32 C ATOM 44 C ILE A 3 5.778 3.786 -9.351 1.00 14.24 C ATOM 45 O ILE A 3 6.871 3.294 -9.072 1.00 63.13 O ATOM 46 CB ILE A 3 5.194 6.139 -8.758 1.00 55.22 C ATOM 47 CG1 ILE A 3 4.314 6.450 -9.971 1.00 34.13 C ATOM 48 CG2 ILE A 3 6.651 6.453 -9.060 1.00 62.45 C ATOM 49 CD1 ILE A 3 3.951 7.913 -10.095 1.00 40.21 C ATOM 0 H ILE A 3 6.508 4.642 -6.854 1.00 64.42 H new ATOM 0 HA ILE A 3 3.979 4.402 -8.353 1.00 55.32 H new ATOM 0 HB ILE A 3 4.872 6.768 -7.928 1.00 55.22 H new ATOM 0 HG12 ILE A 3 4.833 6.135 -10.876 1.00 34.13 H new ATOM 0 HG13 ILE A 3 3.399 5.861 -9.906 1.00 34.13 H new ATOM 0 HG21 ILE A 3 6.745 7.500 -9.349 1.00 62.45 H new ATOM 0 HG22 ILE A 3 7.255 6.266 -8.172 1.00 62.45 H new ATOM 0 HG23 ILE A 3 6.998 5.819 -9.876 1.00 62.45 H new ATOM 0 HD11 ILE A 3 3.327 8.060 -10.976 1.00 40.21 H new ATOM 0 HD12 ILE A 3 3.404 8.229 -9.207 1.00 40.21 H new ATOM 0 HD13 ILE A 3 4.860 8.507 -10.192 1.00 40.21 H new ATOM 61 N PHE A 4 5.176 3.596 -10.520 1.00 15.01 N ATOM 62 CA PHE A 4 5.779 2.779 -11.566 1.00 74.14 C ATOM 63 C PHE A 4 5.810 3.531 -12.893 1.00 43.45 C ATOM 64 O PHE A 4 4.818 4.136 -13.301 1.00 44.01 O ATOM 65 CB PHE A 4 5.006 1.468 -11.729 1.00 11.34 C ATOM 66 CG PHE A 4 5.743 0.269 -11.205 1.00 1.01 C ATOM 67 CD1 PHE A 4 6.761 -0.312 -11.944 1.00 4.34 C ATOM 68 CD2 PHE A 4 5.418 -0.277 -9.974 1.00 22.23 C ATOM 69 CE1 PHE A 4 7.441 -1.416 -11.464 1.00 54.32 C ATOM 70 CE2 PHE A 4 6.094 -1.381 -9.489 1.00 23.00 C ATOM 71 CZ PHE A 4 7.108 -1.950 -10.235 1.00 34.30 C ATOM 0 H PHE A 4 4.271 3.997 -10.767 1.00 15.01 H new ATOM 0 HA PHE A 4 6.804 2.554 -11.271 1.00 74.14 H new ATOM 0 HB2 PHE A 4 4.050 1.552 -11.211 1.00 11.34 H new ATOM 0 HB3 PHE A 4 4.784 1.315 -12.785 1.00 11.34 H new ATOM 0 HD1 PHE A 4 7.026 0.102 -12.906 1.00 4.34 H new ATOM 0 HD2 PHE A 4 4.627 0.165 -9.386 1.00 22.23 H new ATOM 0 HE1 PHE A 4 8.232 -1.860 -12.050 1.00 54.32 H new ATOM 0 HE2 PHE A 4 5.830 -1.798 -8.528 1.00 23.00 H new ATOM 0 HZ PHE A 4 7.639 -2.811 -9.858 1.00 34.30 H new ATOM 81 N VAL A 5 6.958 3.490 -13.563 1.00 72.13 N ATOM 82 CA VAL A 5 7.120 4.167 -14.844 1.00 61.24 C ATOM 83 C VAL A 5 7.589 3.197 -15.923 1.00 75.41 C ATOM 84 O VAL A 5 8.588 2.498 -15.754 1.00 45.43 O ATOM 85 CB VAL A 5 8.126 5.328 -14.742 1.00 4.31 C ATOM 86 CG1 VAL A 5 7.615 6.395 -13.785 1.00 64.04 C ATOM 87 CG2 VAL A 5 9.489 4.815 -14.302 1.00 61.21 C ATOM 0 H VAL A 5 7.789 2.995 -13.240 1.00 72.13 H new ATOM 0 HA VAL A 5 6.143 4.565 -15.117 1.00 61.24 H new ATOM 0 HB VAL A 5 8.234 5.780 -15.728 1.00 4.31 H new ATOM 0 HG11 VAL A 5 8.339 7.208 -13.726 1.00 64.04 H new ATOM 0 HG12 VAL A 5 6.663 6.783 -14.147 1.00 64.04 H new ATOM 0 HG13 VAL A 5 7.476 5.960 -12.795 1.00 64.04 H new ATOM 0 HG21 VAL A 5 10.188 5.649 -14.235 1.00 61.21 H new ATOM 0 HG22 VAL A 5 9.400 4.337 -13.326 1.00 61.21 H new ATOM 0 HG23 VAL A 5 9.857 4.091 -15.029 1.00 61.21 H new ATOM 97 N LYS A 6 6.860 3.158 -17.033 1.00 75.02 N ATOM 98 CA LYS A 6 7.200 2.275 -18.142 1.00 41.04 C ATOM 99 C LYS A 6 7.899 3.047 -19.257 1.00 61.42 C ATOM 100 O LYS A 6 7.620 4.225 -19.481 1.00 1.11 O ATOM 101 CB LYS A 6 5.940 1.599 -18.688 1.00 65.32 C ATOM 102 CG LYS A 6 5.033 1.040 -17.606 1.00 73.11 C ATOM 103 CD LYS A 6 5.670 -0.145 -16.901 1.00 22.34 C ATOM 104 CE LYS A 6 5.101 -0.334 -15.503 1.00 2.34 C ATOM 105 NZ LYS A 6 4.026 -1.364 -15.476 1.00 2.25 N ATOM 0 H LYS A 6 6.029 3.728 -17.188 1.00 75.02 H new ATOM 0 HA LYS A 6 7.882 1.511 -17.769 1.00 41.04 H new ATOM 0 HB2 LYS A 6 5.380 2.320 -19.283 1.00 65.32 H new ATOM 0 HB3 LYS A 6 6.233 0.791 -19.358 1.00 65.32 H new ATOM 0 HG2 LYS A 6 4.810 1.820 -16.878 1.00 73.11 H new ATOM 0 HG3 LYS A 6 4.084 0.735 -18.047 1.00 73.11 H new ATOM 0 HD2 LYS A 6 5.506 -1.049 -17.487 1.00 22.34 H new ATOM 0 HD3 LYS A 6 6.748 0.004 -16.839 1.00 22.34 H new ATOM 0 HE2 LYS A 6 5.901 -0.626 -14.822 1.00 2.34 H new ATOM 0 HE3 LYS A 6 4.704 0.615 -15.141 1.00 2.34 H new ATOM 0 HZ1 LYS A 6 3.664 -1.463 -14.506 1.00 2.25 H new ATOM 0 HZ2 LYS A 6 3.251 -1.074 -16.106 1.00 2.25 H new ATOM 0 HZ3 LYS A 6 4.410 -2.276 -15.797 1.00 2.25 H new ATOM 119 N THR A 7 8.809 2.374 -19.956 1.00 12.31 N ATOM 120 CA THR A 7 9.547 2.996 -21.048 1.00 2.55 C ATOM 121 C THR A 7 9.059 2.490 -22.400 1.00 42.41 C ATOM 122 O THR A 7 8.377 1.468 -22.483 1.00 14.43 O ATOM 123 CB THR A 7 11.059 2.729 -20.927 1.00 63.12 C ATOM 124 OG1 THR A 7 11.438 2.668 -19.547 1.00 52.35 O ATOM 125 CG2 THR A 7 11.859 3.816 -21.630 1.00 72.53 C ATOM 0 H THR A 7 9.052 1.398 -19.785 1.00 12.31 H new ATOM 0 HA THR A 7 9.368 4.069 -20.980 1.00 2.55 H new ATOM 0 HB THR A 7 11.275 1.774 -21.405 1.00 63.12 H new ATOM 0 HG1 THR A 7 11.113 1.831 -19.155 1.00 52.35 H new ATOM 0 HG21 THR A 7 12.924 3.606 -21.531 1.00 72.53 H new ATOM 0 HG22 THR A 7 11.591 3.840 -22.686 1.00 72.53 H new ATOM 0 HG23 THR A 7 11.636 4.782 -21.177 1.00 72.53 H new ATOM 133 N LEU A 8 9.413 3.210 -23.459 1.00 4.53 N ATOM 134 CA LEU A 8 9.012 2.834 -24.810 1.00 32.44 C ATOM 135 C LEU A 8 9.709 1.549 -25.246 1.00 73.04 C ATOM 136 O LEU A 8 9.336 0.936 -26.247 1.00 55.24 O ATOM 137 CB LEU A 8 9.334 3.961 -25.792 1.00 14.22 C ATOM 138 CG LEU A 8 10.816 4.190 -26.088 1.00 41.44 C ATOM 139 CD1 LEU A 8 11.069 4.176 -27.588 1.00 12.41 C ATOM 140 CD2 LEU A 8 11.285 5.503 -25.479 1.00 1.43 C ATOM 0 H LEU A 8 9.977 4.058 -23.408 1.00 4.53 H new ATOM 0 HA LEU A 8 7.936 2.660 -24.808 1.00 32.44 H new ATOM 0 HB2 LEU A 8 8.824 3.753 -26.733 1.00 14.22 H new ATOM 0 HB3 LEU A 8 8.915 4.888 -25.400 1.00 14.22 H new ATOM 0 HG LEU A 8 11.387 3.379 -25.636 1.00 41.44 H new ATOM 0 HD11 LEU A 8 12.129 4.341 -27.780 1.00 12.41 H new ATOM 0 HD12 LEU A 8 10.772 3.211 -27.998 1.00 12.41 H new ATOM 0 HD13 LEU A 8 10.488 4.967 -28.062 1.00 12.41 H new ATOM 0 HD21 LEU A 8 12.342 5.649 -25.700 1.00 1.43 H new ATOM 0 HD22 LEU A 8 10.709 6.326 -25.901 1.00 1.43 H new ATOM 0 HD23 LEU A 8 11.140 5.475 -24.399 1.00 1.43 H new ATOM 152 N THR A 9 10.723 1.144 -24.488 1.00 13.43 N ATOM 153 CA THR A 9 11.471 -0.068 -24.795 1.00 43.44 C ATOM 154 C THR A 9 10.889 -1.273 -24.067 1.00 74.53 C ATOM 155 O THR A 9 11.353 -2.399 -24.240 1.00 63.41 O ATOM 156 CB THR A 9 12.957 0.078 -24.416 1.00 1.22 C ATOM 157 OG1 THR A 9 13.309 1.464 -24.336 1.00 54.02 O ATOM 158 CG2 THR A 9 13.847 -0.618 -25.435 1.00 33.14 C ATOM 0 H THR A 9 11.045 1.639 -23.656 1.00 13.43 H new ATOM 0 HA THR A 9 11.391 -0.224 -25.871 1.00 43.44 H new ATOM 0 HB THR A 9 13.108 -0.392 -23.444 1.00 1.22 H new ATOM 0 HG1 THR A 9 14.255 1.548 -24.093 1.00 54.02 H new ATOM 0 HG21 THR A 9 14.891 -0.501 -25.146 1.00 33.14 H new ATOM 0 HG22 THR A 9 13.597 -1.678 -25.472 1.00 33.14 H new ATOM 0 HG23 THR A 9 13.691 -0.174 -26.418 1.00 33.14 H new ATOM 166 N GLY A 10 9.867 -1.030 -23.252 1.00 73.11 N ATOM 167 CA GLY A 10 9.237 -2.107 -22.510 1.00 52.43 C ATOM 168 C GLY A 10 9.894 -2.346 -21.166 1.00 22.24 C ATOM 169 O GLY A 10 9.673 -3.379 -20.533 1.00 10.02 O ATOM 0 H GLY A 10 9.464 -0.107 -23.092 1.00 73.11 H new ATOM 0 HA2 GLY A 10 8.183 -1.872 -22.359 1.00 52.43 H new ATOM 0 HA3 GLY A 10 9.279 -3.023 -23.099 1.00 52.43 H new ATOM 173 N LYS A 11 10.707 -1.391 -20.727 1.00 52.34 N ATOM 174 CA LYS A 11 11.400 -1.501 -19.449 1.00 72.54 C ATOM 175 C LYS A 11 10.543 -0.947 -18.316 1.00 11.11 C ATOM 176 O LYS A 11 10.061 0.184 -18.384 1.00 14.20 O ATOM 177 CB LYS A 11 12.736 -0.757 -19.504 1.00 71.21 C ATOM 178 CG LYS A 11 13.812 -1.375 -18.629 1.00 4.35 C ATOM 179 CD LYS A 11 14.933 -1.973 -19.462 1.00 25.24 C ATOM 180 CE LYS A 11 15.474 -3.249 -18.834 1.00 60.03 C ATOM 181 NZ LYS A 11 16.913 -3.459 -19.156 1.00 12.20 N ATOM 0 H LYS A 11 10.902 -0.531 -21.239 1.00 52.34 H new ATOM 0 HA LYS A 11 11.588 -2.557 -19.255 1.00 72.54 H new ATOM 0 HB2 LYS A 11 13.087 -0.734 -20.536 1.00 71.21 H new ATOM 0 HB3 LYS A 11 12.579 0.277 -19.197 1.00 71.21 H new ATOM 0 HG2 LYS A 11 14.219 -0.616 -17.961 1.00 4.35 H new ATOM 0 HG3 LYS A 11 13.371 -2.149 -18.001 1.00 4.35 H new ATOM 0 HD2 LYS A 11 14.567 -2.187 -20.466 1.00 25.24 H new ATOM 0 HD3 LYS A 11 15.739 -1.246 -19.565 1.00 25.24 H new ATOM 0 HE2 LYS A 11 15.347 -3.204 -17.752 1.00 60.03 H new ATOM 0 HE3 LYS A 11 14.895 -4.102 -19.188 1.00 60.03 H new ATOM 0 HZ1 LYS A 11 17.244 -4.338 -18.710 1.00 12.20 H new ATOM 0 HZ2 LYS A 11 17.032 -3.528 -20.187 1.00 12.20 H new ATOM 0 HZ3 LYS A 11 17.470 -2.658 -18.796 1.00 12.20 H new ATOM 195 N THR A 12 10.358 -1.750 -17.272 1.00 51.44 N ATOM 196 CA THR A 12 9.560 -1.339 -16.124 1.00 51.02 C ATOM 197 C THR A 12 10.448 -0.897 -14.967 1.00 22.32 C ATOM 198 O THR A 12 11.220 -1.690 -14.427 1.00 62.51 O ATOM 199 CB THR A 12 8.639 -2.477 -15.644 1.00 51.34 C ATOM 200 OG1 THR A 12 9.397 -3.679 -15.467 1.00 53.33 O ATOM 201 CG2 THR A 12 7.516 -2.721 -16.641 1.00 63.14 C ATOM 0 H THR A 12 10.750 -2.689 -17.199 1.00 51.44 H new ATOM 0 HA THR A 12 8.947 -0.498 -16.450 1.00 51.02 H new ATOM 0 HB THR A 12 8.199 -2.182 -14.691 1.00 51.34 H new ATOM 0 HG1 THR A 12 10.308 -3.453 -15.187 1.00 53.33 H new ATOM 0 HG21 THR A 12 6.879 -3.529 -16.281 1.00 63.14 H new ATOM 0 HG22 THR A 12 6.923 -1.813 -16.751 1.00 63.14 H new ATOM 0 HG23 THR A 12 7.940 -2.997 -17.607 1.00 63.14 H new ATOM 209 N ILE A 13 10.334 0.372 -14.590 1.00 34.40 N ATOM 210 CA ILE A 13 11.126 0.917 -13.495 1.00 50.40 C ATOM 211 C ILE A 13 10.238 1.330 -12.326 1.00 72.21 C ATOM 212 O ILE A 13 9.182 1.935 -12.516 1.00 45.45 O ATOM 213 CB ILE A 13 11.953 2.134 -13.951 1.00 24.24 C ATOM 214 CG1 ILE A 13 12.648 1.836 -15.281 1.00 53.43 C ATOM 215 CG2 ILE A 13 12.974 2.509 -12.887 1.00 21.45 C ATOM 216 CD1 ILE A 13 13.541 0.616 -15.237 1.00 53.34 C ATOM 0 H ILE A 13 9.701 1.042 -15.027 1.00 34.40 H new ATOM 0 HA ILE A 13 11.804 0.127 -13.172 1.00 50.40 H new ATOM 0 HB ILE A 13 11.280 2.979 -14.095 1.00 24.24 H new ATOM 0 HG12 ILE A 13 11.892 1.695 -16.053 1.00 53.43 H new ATOM 0 HG13 ILE A 13 13.243 2.701 -15.572 1.00 53.43 H new ATOM 0 HG21 ILE A 13 13.551 3.371 -13.224 1.00 21.45 H new ATOM 0 HG22 ILE A 13 12.458 2.758 -11.959 1.00 21.45 H new ATOM 0 HG23 ILE A 13 13.646 1.668 -12.715 1.00 21.45 H new ATOM 0 HD11 ILE A 13 14.000 0.466 -16.214 1.00 53.34 H new ATOM 0 HD12 ILE A 13 14.320 0.762 -14.488 1.00 53.34 H new ATOM 0 HD13 ILE A 13 12.947 -0.260 -14.977 1.00 53.34 H new ATOM 228 N THR A 14 10.673 0.999 -11.114 1.00 13.40 N ATOM 229 CA THR A 14 9.918 1.335 -9.913 1.00 41.53 C ATOM 230 C THR A 14 10.611 2.436 -9.118 1.00 44.14 C ATOM 231 O THR A 14 11.831 2.420 -8.950 1.00 45.10 O ATOM 232 CB THR A 14 9.728 0.105 -9.006 1.00 71.05 C ATOM 233 OG1 THR A 14 8.905 0.445 -7.885 1.00 55.14 O ATOM 234 CG2 THR A 14 11.069 -0.419 -8.516 1.00 45.34 C ATOM 0 H THR A 14 11.544 0.499 -10.938 1.00 13.40 H new ATOM 0 HA THR A 14 8.941 1.688 -10.243 1.00 41.53 H new ATOM 0 HB THR A 14 9.242 -0.677 -9.590 1.00 71.05 H new ATOM 0 HG1 THR A 14 8.788 -0.343 -7.314 1.00 55.14 H new ATOM 0 HG21 THR A 14 10.909 -1.288 -7.877 1.00 45.34 H new ATOM 0 HG22 THR A 14 11.682 -0.705 -9.371 1.00 45.34 H new ATOM 0 HG23 THR A 14 11.578 0.360 -7.948 1.00 45.34 H new ATOM 242 N LEU A 15 9.827 3.391 -8.631 1.00 31.34 N ATOM 243 CA LEU A 15 10.366 4.500 -7.852 1.00 12.32 C ATOM 244 C LEU A 15 9.400 4.908 -6.744 1.00 31.42 C ATOM 245 O LEU A 15 8.273 4.418 -6.679 1.00 51.15 O ATOM 246 CB LEU A 15 10.650 5.697 -8.761 1.00 63.14 C ATOM 247 CG LEU A 15 12.060 5.774 -9.348 1.00 63.30 C ATOM 248 CD1 LEU A 15 12.002 5.887 -10.863 1.00 65.35 C ATOM 249 CD2 LEU A 15 12.822 6.949 -8.753 1.00 24.45 C ATOM 0 H LEU A 15 8.816 3.420 -8.762 1.00 31.34 H new ATOM 0 HA LEU A 15 11.298 4.170 -7.393 1.00 12.32 H new ATOM 0 HB2 LEU A 15 9.936 5.680 -9.584 1.00 63.14 H new ATOM 0 HB3 LEU A 15 10.463 6.610 -8.195 1.00 63.14 H new ATOM 0 HG LEU A 15 12.590 4.856 -9.093 1.00 63.30 H new ATOM 0 HD11 LEU A 15 13.015 5.941 -11.263 1.00 65.35 H new ATOM 0 HD12 LEU A 15 11.495 5.014 -11.274 1.00 65.35 H new ATOM 0 HD13 LEU A 15 11.454 6.788 -11.140 1.00 65.35 H new ATOM 0 HD21 LEU A 15 13.823 6.988 -9.182 1.00 24.45 H new ATOM 0 HD22 LEU A 15 12.294 7.876 -8.977 1.00 24.45 H new ATOM 0 HD23 LEU A 15 12.895 6.826 -7.672 1.00 24.45 H new ATOM 261 N GLU A 16 9.849 5.808 -5.875 1.00 45.02 N ATOM 262 CA GLU A 16 9.024 6.282 -4.771 1.00 34.22 C ATOM 263 C GLU A 16 8.849 7.797 -4.833 1.00 31.52 C ATOM 264 O GLU A 16 9.817 8.538 -5.004 1.00 73.10 O ATOM 265 CB GLU A 16 9.647 5.884 -3.431 1.00 71.23 C ATOM 266 CG GLU A 16 8.668 5.219 -2.478 1.00 62.31 C ATOM 267 CD GLU A 16 8.404 6.051 -1.239 1.00 0.25 C ATOM 268 OE1 GLU A 16 9.237 6.013 -0.309 1.00 51.10 O ATOM 269 OE2 GLU A 16 7.364 6.741 -1.199 1.00 13.14 O ATOM 0 H GLU A 16 10.780 6.223 -5.915 1.00 45.02 H new ATOM 0 HA GLU A 16 8.042 5.816 -4.860 1.00 34.22 H new ATOM 0 HB2 GLU A 16 10.480 5.205 -3.615 1.00 71.23 H new ATOM 0 HB3 GLU A 16 10.059 6.773 -2.953 1.00 71.23 H new ATOM 0 HG2 GLU A 16 7.727 5.039 -2.997 1.00 62.31 H new ATOM 0 HG3 GLU A 16 9.060 4.246 -2.181 1.00 62.31 H new ATOM 276 N VAL A 17 7.607 8.249 -4.693 1.00 11.30 N ATOM 277 CA VAL A 17 7.304 9.675 -4.732 1.00 70.14 C ATOM 278 C VAL A 17 6.186 10.026 -3.757 1.00 51.44 C ATOM 279 O VAL A 17 5.563 9.144 -3.169 1.00 32.43 O ATOM 280 CB VAL A 17 6.895 10.123 -6.148 1.00 62.13 C ATOM 281 CG1 VAL A 17 7.345 11.553 -6.407 1.00 32.22 C ATOM 282 CG2 VAL A 17 7.470 9.178 -7.192 1.00 71.44 C ATOM 0 H VAL A 17 6.795 7.649 -4.552 1.00 11.30 H new ATOM 0 HA VAL A 17 8.214 10.200 -4.441 1.00 70.14 H new ATOM 0 HB VAL A 17 5.808 10.091 -6.220 1.00 62.13 H new ATOM 0 HG11 VAL A 17 7.047 11.852 -7.412 1.00 32.22 H new ATOM 0 HG12 VAL A 17 6.881 12.218 -5.678 1.00 32.22 H new ATOM 0 HG13 VAL A 17 8.429 11.615 -6.316 1.00 32.22 H new ATOM 0 HG21 VAL A 17 7.171 9.509 -8.187 1.00 71.44 H new ATOM 0 HG22 VAL A 17 8.558 9.176 -7.122 1.00 71.44 H new ATOM 0 HG23 VAL A 17 7.094 8.170 -7.017 1.00 71.44 H new ATOM 292 N GLU A 18 5.937 11.322 -3.593 1.00 23.15 N ATOM 293 CA GLU A 18 4.894 11.790 -2.688 1.00 31.33 C ATOM 294 C GLU A 18 3.930 12.729 -3.408 1.00 22.44 C ATOM 295 O GLU A 18 4.206 13.223 -4.501 1.00 73.42 O ATOM 296 CB GLU A 18 5.514 12.502 -1.484 1.00 13.32 C ATOM 297 CG GLU A 18 7.033 12.532 -1.510 1.00 33.23 C ATOM 298 CD GLU A 18 7.625 13.158 -0.262 1.00 43.24 C ATOM 299 OE1 GLU A 18 7.270 12.714 0.850 1.00 43.13 O ATOM 300 OE2 GLU A 18 8.443 14.092 -0.398 1.00 22.11 O ATOM 0 H GLU A 18 6.443 12.065 -4.075 1.00 23.15 H new ATOM 0 HA GLU A 18 4.335 10.922 -2.339 1.00 31.33 H new ATOM 0 HB2 GLU A 18 5.139 13.525 -1.445 1.00 13.32 H new ATOM 0 HB3 GLU A 18 5.184 12.007 -0.571 1.00 13.32 H new ATOM 0 HG2 GLU A 18 7.411 11.515 -1.616 1.00 33.23 H new ATOM 0 HG3 GLU A 18 7.367 13.089 -2.385 1.00 33.23 H new ATOM 307 N PRO A 19 2.772 12.981 -2.781 1.00 34.12 N ATOM 308 CA PRO A 19 1.743 13.862 -3.343 1.00 20.55 C ATOM 309 C PRO A 19 2.172 15.325 -3.347 1.00 61.32 C ATOM 310 O PRO A 19 1.779 16.094 -4.224 1.00 72.00 O ATOM 311 CB PRO A 19 0.550 13.657 -2.405 1.00 44.00 C ATOM 312 CG PRO A 19 1.154 13.223 -1.114 1.00 14.22 C ATOM 313 CD PRO A 19 2.377 12.426 -1.475 1.00 54.50 C ATOM 0 HA PRO A 19 1.529 13.626 -4.385 1.00 20.55 H new ATOM 0 HB2 PRO A 19 -0.022 14.577 -2.285 1.00 44.00 H new ATOM 0 HB3 PRO A 19 -0.135 12.904 -2.795 1.00 44.00 H new ATOM 0 HG2 PRO A 19 1.417 14.083 -0.498 1.00 14.22 H new ATOM 0 HG3 PRO A 19 0.452 12.620 -0.538 1.00 14.22 H new ATOM 0 HD2 PRO A 19 3.167 12.543 -0.733 1.00 54.50 H new ATOM 0 HD3 PRO A 19 2.157 11.360 -1.541 1.00 54.50 H new ATOM 321 N SER A 20 2.981 15.703 -2.363 1.00 22.43 N ATOM 322 CA SER A 20 3.461 17.075 -2.252 1.00 1.12 C ATOM 323 C SER A 20 4.677 17.299 -3.146 1.00 0.43 C ATOM 324 O SER A 20 5.220 18.403 -3.209 1.00 75.31 O ATOM 325 CB SER A 20 3.815 17.398 -0.799 1.00 44.10 C ATOM 326 OG SER A 20 4.024 18.789 -0.622 1.00 33.51 O ATOM 0 H SER A 20 3.318 15.078 -1.631 1.00 22.43 H new ATOM 0 HA SER A 20 2.663 17.741 -2.580 1.00 1.12 H new ATOM 0 HB2 SER A 20 3.013 17.061 -0.142 1.00 44.10 H new ATOM 0 HB3 SER A 20 4.713 16.852 -0.510 1.00 44.10 H new ATOM 0 HG SER A 20 4.532 19.143 -1.382 1.00 33.51 H new ATOM 332 N ASP A 21 5.099 16.245 -3.834 1.00 63.15 N ATOM 333 CA ASP A 21 6.250 16.325 -4.726 1.00 43.23 C ATOM 334 C ASP A 21 5.857 16.936 -6.068 1.00 32.23 C ATOM 335 O ASP A 21 4.851 16.552 -6.667 1.00 24.15 O ATOM 336 CB ASP A 21 6.854 14.936 -4.941 1.00 53.35 C ATOM 337 CG ASP A 21 8.320 14.877 -4.561 1.00 61.14 C ATOM 338 OD1 ASP A 21 9.023 15.893 -4.746 1.00 32.14 O ATOM 339 OD2 ASP A 21 8.765 13.815 -4.079 1.00 32.41 O ATOM 0 H ASP A 21 4.662 15.325 -3.792 1.00 63.15 H new ATOM 0 HA ASP A 21 6.996 16.968 -4.259 1.00 43.23 H new ATOM 0 HB2 ASP A 21 6.299 14.206 -4.351 1.00 53.35 H new ATOM 0 HB3 ASP A 21 6.741 14.652 -5.987 1.00 53.35 H new ATOM 344 N THR A 22 6.656 17.891 -6.535 1.00 35.51 N ATOM 345 CA THR A 22 6.390 18.556 -7.804 1.00 0.00 C ATOM 346 C THR A 22 7.336 18.062 -8.892 1.00 45.42 C ATOM 347 O THR A 22 8.474 17.683 -8.613 1.00 2.01 O ATOM 348 CB THR A 22 6.526 20.085 -7.676 1.00 22.02 C ATOM 349 OG1 THR A 22 6.678 20.450 -6.299 1.00 61.45 O ATOM 350 CG2 THR A 22 5.310 20.787 -8.261 1.00 1.55 C ATOM 0 H THR A 22 7.492 18.221 -6.053 1.00 35.51 H new ATOM 0 HA THR A 22 5.364 18.312 -8.080 1.00 0.00 H new ATOM 0 HB THR A 22 7.409 20.397 -8.234 1.00 22.02 H new ATOM 0 HG1 THR A 22 6.766 21.423 -6.226 1.00 61.45 H new ATOM 0 HG21 THR A 22 5.429 21.866 -8.159 1.00 1.55 H new ATOM 0 HG22 THR A 22 5.214 20.530 -9.316 1.00 1.55 H new ATOM 0 HG23 THR A 22 4.414 20.469 -7.727 1.00 1.55 H new ATOM 358 N ILE A 23 6.860 18.071 -10.133 1.00 21.35 N ATOM 359 CA ILE A 23 7.666 17.625 -11.263 1.00 14.23 C ATOM 360 C ILE A 23 8.958 18.428 -11.367 1.00 71.20 C ATOM 361 O ILE A 23 9.971 17.929 -11.855 1.00 44.44 O ATOM 362 CB ILE A 23 6.891 17.746 -12.588 1.00 61.04 C ATOM 363 CG1 ILE A 23 5.900 16.589 -12.732 1.00 51.34 C ATOM 364 CG2 ILE A 23 7.856 17.774 -13.765 1.00 34.23 C ATOM 365 CD1 ILE A 23 4.759 16.644 -11.741 1.00 53.52 C ATOM 0 H ILE A 23 5.921 18.382 -10.381 1.00 21.35 H new ATOM 0 HA ILE A 23 7.906 16.577 -11.086 1.00 14.23 H new ATOM 0 HB ILE A 23 6.330 18.681 -12.580 1.00 61.04 H new ATOM 0 HG12 ILE A 23 5.493 16.594 -13.743 1.00 51.34 H new ATOM 0 HG13 ILE A 23 6.434 15.647 -12.608 1.00 51.34 H new ATOM 0 HG21 ILE A 23 7.294 17.860 -14.695 1.00 34.23 H new ATOM 0 HG22 ILE A 23 8.526 18.628 -13.666 1.00 34.23 H new ATOM 0 HG23 ILE A 23 8.441 16.854 -13.778 1.00 34.23 H new ATOM 0 HD11 ILE A 23 4.096 15.794 -11.901 1.00 53.52 H new ATOM 0 HD12 ILE A 23 5.156 16.608 -10.727 1.00 53.52 H new ATOM 0 HD13 ILE A 23 4.201 17.570 -11.880 1.00 53.52 H new ATOM 377 N GLU A 24 8.914 19.673 -10.903 1.00 21.22 N ATOM 378 CA GLU A 24 10.083 20.544 -10.943 1.00 53.15 C ATOM 379 C GLU A 24 11.110 20.126 -9.895 1.00 15.32 C ATOM 380 O GLU A 24 12.312 20.125 -10.154 1.00 50.44 O ATOM 381 CB GLU A 24 9.669 22.000 -10.717 1.00 22.32 C ATOM 382 CG GLU A 24 8.533 22.457 -11.616 1.00 33.32 C ATOM 383 CD GLU A 24 8.607 23.935 -11.943 1.00 55.53 C ATOM 384 OE1 GLU A 24 9.569 24.595 -11.499 1.00 64.22 O ATOM 385 OE2 GLU A 24 7.701 24.433 -12.645 1.00 14.05 O ATOM 0 H GLU A 24 8.082 20.101 -10.495 1.00 21.22 H new ATOM 0 HA GLU A 24 10.539 20.452 -11.929 1.00 53.15 H new ATOM 0 HB2 GLU A 24 9.371 22.127 -9.676 1.00 22.32 H new ATOM 0 HB3 GLU A 24 10.533 22.644 -10.882 1.00 22.32 H new ATOM 0 HG2 GLU A 24 8.554 21.882 -12.542 1.00 33.32 H new ATOM 0 HG3 GLU A 24 7.581 22.243 -11.130 1.00 33.32 H new ATOM 392 N ASN A 25 10.625 19.772 -8.709 1.00 0.31 N ATOM 393 CA ASN A 25 11.500 19.354 -7.620 1.00 30.42 C ATOM 394 C ASN A 25 12.047 17.952 -7.870 1.00 62.41 C ATOM 395 O ASN A 25 13.242 17.702 -7.710 1.00 41.12 O ATOM 396 CB ASN A 25 10.745 19.389 -6.289 1.00 63.43 C ATOM 397 CG ASN A 25 10.939 20.698 -5.549 1.00 22.20 C ATOM 398 OD1 ASN A 25 11.646 21.590 -6.018 1.00 0.12 O ATOM 399 ND2 ASN A 25 10.311 20.818 -4.385 1.00 55.05 N ATOM 0 H ASN A 25 9.632 19.766 -8.478 1.00 0.31 H new ATOM 0 HA ASN A 25 12.338 20.049 -7.573 1.00 30.42 H new ATOM 0 HB2 ASN A 25 9.682 19.233 -6.473 1.00 63.43 H new ATOM 0 HB3 ASN A 25 11.084 18.566 -5.660 1.00 63.43 H new ATOM 0 HD21 ASN A 25 10.405 21.676 -3.841 1.00 55.05 H new ATOM 0 HD22 ASN A 25 9.735 20.052 -4.035 1.00 55.05 H new ATOM 406 N VAL A 26 11.165 17.039 -8.265 1.00 15.34 N ATOM 407 CA VAL A 26 11.559 15.663 -8.539 1.00 34.41 C ATOM 408 C VAL A 26 12.677 15.607 -9.573 1.00 62.12 C ATOM 409 O VAL A 26 13.518 14.708 -9.547 1.00 4.32 O ATOM 410 CB VAL A 26 10.367 14.827 -9.043 1.00 15.45 C ATOM 411 CG1 VAL A 26 10.775 13.375 -9.235 1.00 23.13 C ATOM 412 CG2 VAL A 26 9.195 14.937 -8.079 1.00 33.03 C ATOM 0 H VAL A 26 10.172 17.228 -8.402 1.00 15.34 H new ATOM 0 HA VAL A 26 11.916 15.243 -7.599 1.00 34.41 H new ATOM 0 HB VAL A 26 10.052 15.221 -10.009 1.00 15.45 H new ATOM 0 HG11 VAL A 26 9.920 12.801 -9.591 1.00 23.13 H new ATOM 0 HG12 VAL A 26 11.581 13.317 -9.967 1.00 23.13 H new ATOM 0 HG13 VAL A 26 11.117 12.965 -8.285 1.00 23.13 H new ATOM 0 HG21 VAL A 26 8.361 14.341 -8.450 1.00 33.03 H new ATOM 0 HG22 VAL A 26 9.495 14.570 -7.098 1.00 33.03 H new ATOM 0 HG23 VAL A 26 8.887 15.980 -7.998 1.00 33.03 H new ATOM 422 N LYS A 27 12.682 16.574 -10.484 1.00 74.14 N ATOM 423 CA LYS A 27 13.698 16.638 -11.528 1.00 73.22 C ATOM 424 C LYS A 27 15.098 16.538 -10.931 1.00 52.52 C ATOM 425 O LYS A 27 15.962 15.844 -11.465 1.00 44.30 O ATOM 426 CB LYS A 27 13.561 17.939 -12.322 1.00 64.24 C ATOM 427 CG LYS A 27 14.843 18.364 -13.017 1.00 41.25 C ATOM 428 CD LYS A 27 15.645 19.333 -12.165 1.00 20.25 C ATOM 429 CE LYS A 27 15.621 20.738 -12.745 1.00 43.34 C ATOM 430 NZ LYS A 27 16.780 21.550 -12.281 1.00 10.22 N ATOM 0 H LYS A 27 11.993 17.325 -10.520 1.00 74.14 H new ATOM 0 HA LYS A 27 13.548 15.793 -12.200 1.00 73.22 H new ATOM 0 HB2 LYS A 27 12.776 17.819 -13.068 1.00 64.24 H new ATOM 0 HB3 LYS A 27 13.242 18.734 -11.648 1.00 64.24 H new ATOM 0 HG2 LYS A 27 15.448 17.484 -13.236 1.00 41.25 H new ATOM 0 HG3 LYS A 27 14.602 18.831 -13.972 1.00 41.25 H new ATOM 0 HD2 LYS A 27 15.241 19.349 -11.153 1.00 20.25 H new ATOM 0 HD3 LYS A 27 16.676 18.987 -12.091 1.00 20.25 H new ATOM 0 HE2 LYS A 27 15.630 20.682 -13.834 1.00 43.34 H new ATOM 0 HE3 LYS A 27 14.693 21.233 -12.459 1.00 43.34 H new ATOM 0 HZ1 LYS A 27 16.727 22.501 -12.699 1.00 10.22 H new ATOM 0 HZ2 LYS A 27 16.758 21.626 -11.244 1.00 10.22 H new ATOM 0 HZ3 LYS A 27 17.666 21.091 -12.576 1.00 10.22 H new ATOM 444 N ALA A 28 15.314 17.236 -9.821 1.00 35.24 N ATOM 445 CA ALA A 28 16.607 17.223 -9.150 1.00 25.13 C ATOM 446 C ALA A 28 16.918 15.842 -8.583 1.00 64.32 C ATOM 447 O ALA A 28 18.052 15.368 -8.662 1.00 31.52 O ATOM 448 CB ALA A 28 16.639 18.268 -8.045 1.00 3.25 C ATOM 0 H ALA A 28 14.609 17.818 -9.368 1.00 35.24 H new ATOM 0 HA ALA A 28 17.373 17.465 -9.887 1.00 25.13 H new ATOM 0 HB1 ALA A 28 17.611 18.247 -7.552 1.00 3.25 H new ATOM 0 HB2 ALA A 28 16.471 19.256 -8.474 1.00 3.25 H new ATOM 0 HB3 ALA A 28 15.858 18.051 -7.316 1.00 3.25 H new ATOM 454 N LYS A 29 15.905 15.200 -8.011 1.00 41.23 N ATOM 455 CA LYS A 29 16.069 13.873 -7.431 1.00 62.52 C ATOM 456 C LYS A 29 16.514 12.868 -8.489 1.00 72.32 C ATOM 457 O LYS A 29 17.411 12.058 -8.251 1.00 53.24 O ATOM 458 CB LYS A 29 14.760 13.408 -6.790 1.00 14.20 C ATOM 459 CG LYS A 29 14.885 12.098 -6.031 1.00 52.41 C ATOM 460 CD LYS A 29 13.635 11.802 -5.220 1.00 13.44 C ATOM 461 CE LYS A 29 13.456 10.309 -4.996 1.00 22.42 C ATOM 462 NZ LYS A 29 14.225 9.829 -3.814 1.00 12.21 N ATOM 0 H LYS A 29 14.961 15.578 -7.937 1.00 41.23 H new ATOM 0 HA LYS A 29 16.841 13.933 -6.664 1.00 62.52 H new ATOM 0 HB2 LYS A 29 14.405 14.181 -6.108 1.00 14.20 H new ATOM 0 HB3 LYS A 29 14.004 13.297 -7.567 1.00 14.20 H new ATOM 0 HG2 LYS A 29 15.065 11.285 -6.734 1.00 52.41 H new ATOM 0 HG3 LYS A 29 15.748 12.142 -5.367 1.00 52.41 H new ATOM 0 HD2 LYS A 29 13.696 12.311 -4.258 1.00 13.44 H new ATOM 0 HD3 LYS A 29 12.762 12.201 -5.737 1.00 13.44 H new ATOM 0 HE2 LYS A 29 12.398 10.087 -4.855 1.00 22.42 H new ATOM 0 HE3 LYS A 29 13.780 9.767 -5.885 1.00 22.42 H new ATOM 0 HZ1 LYS A 29 14.077 8.807 -3.695 1.00 12.21 H new ATOM 0 HZ2 LYS A 29 15.237 10.017 -3.959 1.00 12.21 H new ATOM 0 HZ3 LYS A 29 13.898 10.327 -2.962 1.00 12.21 H new ATOM 476 N ILE A 30 15.882 12.926 -9.657 1.00 2.43 N ATOM 477 CA ILE A 30 16.215 12.023 -10.751 1.00 63.01 C ATOM 478 C ILE A 30 17.590 12.343 -11.329 1.00 55.03 C ATOM 479 O ILE A 30 18.334 11.444 -11.718 1.00 62.32 O ATOM 480 CB ILE A 30 15.168 12.093 -11.878 1.00 14.32 C ATOM 481 CG1 ILE A 30 13.768 11.829 -11.320 1.00 32.25 C ATOM 482 CG2 ILE A 30 15.503 11.095 -12.976 1.00 1.21 C ATOM 483 CD1 ILE A 30 12.659 12.109 -12.310 1.00 64.00 C ATOM 0 H ILE A 30 15.137 13.589 -9.869 1.00 2.43 H new ATOM 0 HA ILE A 30 16.223 11.015 -10.336 1.00 63.01 H new ATOM 0 HB ILE A 30 15.185 13.095 -12.307 1.00 14.32 H new ATOM 0 HG12 ILE A 30 13.704 10.789 -11.000 1.00 32.25 H new ATOM 0 HG13 ILE A 30 13.617 12.445 -10.434 1.00 32.25 H new ATOM 0 HG21 ILE A 30 14.754 11.157 -13.765 1.00 1.21 H new ATOM 0 HG22 ILE A 30 16.485 11.325 -13.389 1.00 1.21 H new ATOM 0 HG23 ILE A 30 15.511 10.087 -12.561 1.00 1.21 H new ATOM 0 HD11 ILE A 30 11.695 11.900 -11.846 1.00 64.00 H new ATOM 0 HD12 ILE A 30 12.697 13.156 -12.612 1.00 64.00 H new ATOM 0 HD13 ILE A 30 12.785 11.474 -13.187 1.00 64.00 H new ATOM 495 N GLN A 31 17.919 13.630 -11.381 1.00 32.43 N ATOM 496 CA GLN A 31 19.205 14.068 -11.910 1.00 74.04 C ATOM 497 C GLN A 31 20.338 13.707 -10.956 1.00 62.22 C ATOM 498 O GLN A 31 21.469 13.468 -11.382 1.00 35.14 O ATOM 499 CB GLN A 31 19.191 15.578 -12.157 1.00 32.44 C ATOM 500 CG GLN A 31 19.623 15.969 -13.560 1.00 42.23 C ATOM 501 CD GLN A 31 18.771 17.078 -14.146 1.00 1.04 C ATOM 502 OE1 GLN A 31 17.543 17.042 -14.064 1.00 70.54 O ATOM 503 NE2 GLN A 31 19.420 18.073 -14.740 1.00 32.41 N ATOM 0 H GLN A 31 17.313 14.387 -11.064 1.00 32.43 H new ATOM 0 HA GLN A 31 19.374 13.554 -12.856 1.00 74.04 H new ATOM 0 HB2 GLN A 31 18.185 15.958 -11.976 1.00 32.44 H new ATOM 0 HB3 GLN A 31 19.849 16.062 -11.435 1.00 32.44 H new ATOM 0 HG2 GLN A 31 20.665 16.289 -13.539 1.00 42.23 H new ATOM 0 HG3 GLN A 31 19.571 15.095 -14.209 1.00 42.23 H new ATOM 0 HE21 GLN A 31 20.439 18.062 -14.785 1.00 32.41 H new ATOM 0 HE22 GLN A 31 18.899 18.848 -15.151 1.00 32.41 H new ATOM 512 N ASP A 32 20.028 13.669 -9.665 1.00 4.30 N ATOM 513 CA ASP A 32 21.021 13.337 -8.650 1.00 22.22 C ATOM 514 C ASP A 32 21.271 11.832 -8.606 1.00 13.50 C ATOM 515 O ASP A 32 22.197 11.365 -7.943 1.00 72.41 O ATOM 516 CB ASP A 32 20.563 13.831 -7.277 1.00 31.53 C ATOM 517 CG ASP A 32 21.721 14.279 -6.407 1.00 33.13 C ATOM 518 OD1 ASP A 32 22.715 13.529 -6.309 1.00 11.32 O ATOM 519 OD2 ASP A 32 21.633 15.380 -5.824 1.00 71.13 O ATOM 0 H ASP A 32 19.097 13.864 -9.296 1.00 4.30 H new ATOM 0 HA ASP A 32 21.954 13.835 -8.913 1.00 22.22 H new ATOM 0 HB2 ASP A 32 19.867 14.660 -7.406 1.00 31.53 H new ATOM 0 HB3 ASP A 32 20.019 13.034 -6.770 1.00 31.53 H new ATOM 524 N LYS A 33 20.438 11.079 -9.316 1.00 34.24 N ATOM 525 CA LYS A 33 20.567 9.627 -9.359 1.00 14.11 C ATOM 526 C LYS A 33 21.045 9.164 -10.731 1.00 41.12 C ATOM 527 O LYS A 33 21.860 8.248 -10.837 1.00 73.03 O ATOM 528 CB LYS A 33 19.228 8.965 -9.024 1.00 1.44 C ATOM 529 CG LYS A 33 19.366 7.547 -8.497 1.00 13.42 C ATOM 530 CD LYS A 33 18.386 6.604 -9.174 1.00 31.44 C ATOM 531 CE LYS A 33 18.356 5.246 -8.488 1.00 54.20 C ATOM 532 NZ LYS A 33 19.613 4.482 -8.716 1.00 21.43 N ATOM 0 H LYS A 33 19.666 11.450 -9.870 1.00 34.24 H new ATOM 0 HA LYS A 33 21.308 9.331 -8.616 1.00 14.11 H new ATOM 0 HB2 LYS A 33 18.708 9.571 -8.282 1.00 1.44 H new ATOM 0 HB3 LYS A 33 18.605 8.952 -9.918 1.00 1.44 H new ATOM 0 HG2 LYS A 33 20.384 7.194 -8.661 1.00 13.42 H new ATOM 0 HG3 LYS A 33 19.195 7.540 -7.420 1.00 13.42 H new ATOM 0 HD2 LYS A 33 17.388 7.042 -9.160 1.00 31.44 H new ATOM 0 HD3 LYS A 33 18.664 6.478 -10.220 1.00 31.44 H new ATOM 0 HE2 LYS A 33 18.203 5.383 -7.417 1.00 54.20 H new ATOM 0 HE3 LYS A 33 17.508 4.670 -8.860 1.00 54.20 H new ATOM 0 HZ1 LYS A 33 19.553 3.563 -8.233 1.00 21.43 H new ATOM 0 HZ2 LYS A 33 19.746 4.329 -9.736 1.00 21.43 H new ATOM 0 HZ3 LYS A 33 20.419 5.020 -8.339 1.00 21.43 H new ATOM 546 N GLU A 34 20.534 9.804 -11.778 1.00 43.42 N ATOM 547 CA GLU A 34 20.911 9.457 -13.143 1.00 41.24 C ATOM 548 C GLU A 34 21.493 10.666 -13.871 1.00 70.33 C ATOM 549 O GLU A 34 22.393 10.531 -14.699 1.00 50.32 O ATOM 550 CB GLU A 34 19.700 8.921 -13.910 1.00 21.03 C ATOM 551 CG GLU A 34 19.007 7.760 -13.217 1.00 62.52 C ATOM 552 CD GLU A 34 18.018 7.048 -14.120 1.00 13.52 C ATOM 553 OE1 GLU A 34 18.463 6.285 -15.002 1.00 62.02 O ATOM 554 OE2 GLU A 34 16.799 7.255 -13.944 1.00 51.34 O ATOM 0 H GLU A 34 19.858 10.565 -11.707 1.00 43.42 H new ATOM 0 HA GLU A 34 21.675 8.681 -13.095 1.00 41.24 H new ATOM 0 HB2 GLU A 34 18.983 9.730 -14.051 1.00 21.03 H new ATOM 0 HB3 GLU A 34 20.020 8.602 -14.902 1.00 21.03 H new ATOM 0 HG2 GLU A 34 19.757 7.048 -12.872 1.00 62.52 H new ATOM 0 HG3 GLU A 34 18.486 8.128 -12.333 1.00 62.52 H new ATOM 561 N GLY A 35 20.971 11.847 -13.556 1.00 12.21 N ATOM 562 CA GLY A 35 21.449 13.062 -14.189 1.00 2.43 C ATOM 563 C GLY A 35 20.878 13.256 -15.579 1.00 73.53 C ATOM 564 O GLY A 35 21.397 14.048 -16.366 1.00 72.22 O ATOM 0 H GLY A 35 20.225 11.984 -12.874 1.00 12.21 H new ATOM 0 HA2 GLY A 35 21.186 13.919 -13.569 1.00 2.43 H new ATOM 0 HA3 GLY A 35 22.537 13.033 -14.247 1.00 2.43 H new ATOM 568 N ILE A 36 19.808 12.529 -15.884 1.00 15.24 N ATOM 569 CA ILE A 36 19.166 12.624 -17.189 1.00 42.50 C ATOM 570 C ILE A 36 18.336 13.899 -17.302 1.00 62.31 C ATOM 571 O ILE A 36 17.501 14.203 -16.450 1.00 73.44 O ATOM 572 CB ILE A 36 18.260 11.409 -17.461 1.00 42.22 C ATOM 573 CG1 ILE A 36 19.033 10.108 -17.235 1.00 3.31 C ATOM 574 CG2 ILE A 36 17.710 11.465 -18.879 1.00 5.33 C ATOM 575 CD1 ILE A 36 20.286 9.996 -18.075 1.00 60.12 C ATOM 0 H ILE A 36 19.368 11.868 -15.245 1.00 15.24 H new ATOM 0 HA ILE A 36 19.963 12.645 -17.932 1.00 42.50 H new ATOM 0 HB ILE A 36 17.421 11.437 -16.765 1.00 42.22 H new ATOM 0 HG12 ILE A 36 19.304 10.034 -16.182 1.00 3.31 H new ATOM 0 HG13 ILE A 36 18.380 9.264 -17.457 1.00 3.31 H new ATOM 0 HG21 ILE A 36 17.072 10.599 -19.056 1.00 5.33 H new ATOM 0 HG22 ILE A 36 17.128 12.378 -19.008 1.00 5.33 H new ATOM 0 HG23 ILE A 36 18.536 11.458 -19.590 1.00 5.33 H new ATOM 0 HD11 ILE A 36 20.783 9.049 -17.863 1.00 60.12 H new ATOM 0 HD12 ILE A 36 20.021 10.038 -19.131 1.00 60.12 H new ATOM 0 HD13 ILE A 36 20.959 10.820 -17.837 1.00 60.12 H new ATOM 587 N PRO A 37 18.569 14.663 -18.380 1.00 32.42 N ATOM 588 CA PRO A 37 17.851 15.916 -18.632 1.00 32.42 C ATOM 589 C PRO A 37 16.387 15.683 -18.991 1.00 63.00 C ATOM 590 O PRO A 37 16.061 15.144 -20.048 1.00 72.55 O ATOM 591 CB PRO A 37 18.603 16.523 -19.819 1.00 32.32 C ATOM 592 CG PRO A 37 19.219 15.357 -20.513 1.00 3.52 C ATOM 593 CD PRO A 37 19.550 14.362 -19.436 1.00 21.43 C ATOM 0 HA PRO A 37 17.829 16.558 -17.751 1.00 32.42 H new ATOM 0 HB2 PRO A 37 17.927 17.066 -20.480 1.00 32.32 H new ATOM 0 HB3 PRO A 37 19.361 17.232 -19.487 1.00 32.32 H new ATOM 0 HG2 PRO A 37 18.531 14.929 -21.242 1.00 3.52 H new ATOM 0 HG3 PRO A 37 20.115 15.656 -21.057 1.00 3.52 H new ATOM 0 HD2 PRO A 37 19.454 13.337 -19.793 1.00 21.43 H new ATOM 0 HD3 PRO A 37 20.573 14.481 -19.080 1.00 21.43 H new ATOM 601 N PRO A 38 15.483 16.099 -18.092 1.00 1.01 N ATOM 602 CA PRO A 38 14.039 15.947 -18.293 1.00 50.30 C ATOM 603 C PRO A 38 13.508 16.859 -19.394 1.00 61.32 C ATOM 604 O PRO A 38 12.301 16.929 -19.627 1.00 1.24 O ATOM 605 CB PRO A 38 13.448 16.346 -16.938 1.00 64.42 C ATOM 606 CG PRO A 38 14.465 17.250 -16.333 1.00 4.42 C ATOM 607 CD PRO A 38 15.801 16.750 -16.810 1.00 11.20 C ATOM 0 HA PRO A 38 13.776 14.937 -18.608 1.00 50.30 H new ATOM 0 HB2 PRO A 38 12.490 16.852 -17.057 1.00 64.42 H new ATOM 0 HB3 PRO A 38 13.271 15.472 -16.310 1.00 64.42 H new ATOM 0 HG2 PRO A 38 14.302 18.283 -16.642 1.00 4.42 H new ATOM 0 HG3 PRO A 38 14.407 17.230 -15.245 1.00 4.42 H new ATOM 0 HD2 PRO A 38 16.513 17.565 -16.939 1.00 11.20 H new ATOM 0 HD3 PRO A 38 16.244 16.049 -16.102 1.00 11.20 H new ATOM 615 N ASP A 39 14.417 17.554 -20.069 1.00 54.13 N ATOM 616 CA ASP A 39 14.039 18.460 -21.148 1.00 4.43 C ATOM 617 C ASP A 39 13.619 17.681 -22.390 1.00 45.53 C ATOM 618 O ASP A 39 12.907 18.202 -23.248 1.00 62.35 O ATOM 619 CB ASP A 39 15.201 19.396 -21.486 1.00 11.43 C ATOM 620 CG ASP A 39 15.146 20.693 -20.703 1.00 0.34 C ATOM 621 OD1 ASP A 39 14.065 21.317 -20.662 1.00 53.24 O ATOM 622 OD2 ASP A 39 16.184 21.084 -20.129 1.00 41.12 O ATOM 0 H ASP A 39 15.420 17.508 -19.889 1.00 54.13 H new ATOM 0 HA ASP A 39 13.190 19.054 -20.810 1.00 4.43 H new ATOM 0 HB2 ASP A 39 16.144 18.890 -21.279 1.00 11.43 H new ATOM 0 HB3 ASP A 39 15.186 19.618 -22.553 1.00 11.43 H new ATOM 627 N GLN A 40 14.067 16.433 -22.479 1.00 52.12 N ATOM 628 CA GLN A 40 13.739 15.584 -23.618 1.00 73.21 C ATOM 629 C GLN A 40 12.752 14.492 -23.217 1.00 12.50 C ATOM 630 O GLN A 40 12.279 13.731 -24.060 1.00 21.41 O ATOM 631 CB GLN A 40 15.008 14.954 -24.194 1.00 21.53 C ATOM 632 CG GLN A 40 16.107 15.961 -24.489 1.00 44.05 C ATOM 633 CD GLN A 40 17.333 15.759 -23.621 1.00 65.32 C ATOM 634 OE1 GLN A 40 17.724 14.627 -23.333 1.00 2.23 O ATOM 635 NE2 GLN A 40 17.948 16.857 -23.199 1.00 44.54 N ATOM 0 H GLN A 40 14.658 15.988 -21.777 1.00 52.12 H new ATOM 0 HA GLN A 40 13.273 16.207 -24.381 1.00 73.21 H new ATOM 0 HB2 GLN A 40 15.386 14.211 -23.491 1.00 21.53 H new ATOM 0 HB3 GLN A 40 14.756 14.424 -25.113 1.00 21.53 H new ATOM 0 HG2 GLN A 40 16.393 15.884 -25.538 1.00 44.05 H new ATOM 0 HG3 GLN A 40 15.721 16.969 -24.337 1.00 44.05 H new ATOM 0 HE21 GLN A 40 17.590 17.775 -23.462 1.00 44.54 H new ATOM 0 HE22 GLN A 40 18.779 16.783 -22.612 1.00 44.54 H new ATOM 644 N GLN A 41 12.446 14.424 -21.925 1.00 61.53 N ATOM 645 CA GLN A 41 11.516 13.424 -21.413 1.00 41.12 C ATOM 646 C GLN A 41 10.087 13.957 -21.418 1.00 41.05 C ATOM 647 O GLN A 41 9.819 15.046 -20.911 1.00 53.22 O ATOM 648 CB GLN A 41 11.912 13.007 -19.996 1.00 3.02 C ATOM 649 CG GLN A 41 11.689 11.530 -19.711 1.00 43.45 C ATOM 650 CD GLN A 41 12.933 10.697 -19.947 1.00 23.54 C ATOM 651 OE1 GLN A 41 13.662 10.908 -20.916 1.00 62.23 O ATOM 652 NE2 GLN A 41 13.183 9.742 -19.058 1.00 21.10 N ATOM 0 H GLN A 41 12.828 15.049 -21.215 1.00 61.53 H new ATOM 0 HA GLN A 41 11.562 12.553 -22.067 1.00 41.12 H new ATOM 0 HB2 GLN A 41 12.964 13.244 -19.837 1.00 3.02 H new ATOM 0 HB3 GLN A 41 11.340 13.597 -19.280 1.00 3.02 H new ATOM 0 HG2 GLN A 41 11.365 11.408 -18.677 1.00 43.45 H new ATOM 0 HG3 GLN A 41 10.882 11.159 -20.344 1.00 43.45 H new ATOM 0 HE21 GLN A 41 12.552 9.602 -18.269 1.00 21.10 H new ATOM 0 HE22 GLN A 41 14.006 9.149 -19.164 1.00 21.10 H new ATOM 661 N ARG A 42 9.174 13.182 -21.995 1.00 41.53 N ATOM 662 CA ARG A 42 7.773 13.578 -22.068 1.00 33.41 C ATOM 663 C ARG A 42 6.883 12.556 -21.367 1.00 34.51 C ATOM 664 O ARG A 42 6.668 11.453 -21.872 1.00 72.05 O ATOM 665 CB ARG A 42 7.339 13.732 -23.527 1.00 21.12 C ATOM 666 CG ARG A 42 6.940 15.151 -23.897 1.00 34.13 C ATOM 667 CD ARG A 42 5.555 15.194 -24.525 1.00 45.11 C ATOM 668 NE ARG A 42 5.581 14.808 -25.933 1.00 44.34 N ATOM 669 CZ ARG A 42 4.495 14.731 -26.694 1.00 63.23 C ATOM 670 NH1 ARG A 42 3.304 15.011 -26.185 1.00 52.41 N ATOM 671 NH2 ARG A 42 4.600 14.372 -27.968 1.00 0.34 N ATOM 0 H ARG A 42 9.379 12.277 -22.418 1.00 41.53 H new ATOM 0 HA ARG A 42 7.666 14.537 -21.561 1.00 33.41 H new ATOM 0 HB2 ARG A 42 8.155 13.412 -24.176 1.00 21.12 H new ATOM 0 HB3 ARG A 42 6.498 13.065 -23.720 1.00 21.12 H new ATOM 0 HG2 ARG A 42 6.957 15.779 -23.006 1.00 34.13 H new ATOM 0 HG3 ARG A 42 7.669 15.566 -24.593 1.00 34.13 H new ATOM 0 HD2 ARG A 42 4.888 14.527 -23.978 1.00 45.11 H new ATOM 0 HD3 ARG A 42 5.146 16.200 -24.432 1.00 45.11 H new ATOM 0 HE ARG A 42 6.482 14.585 -26.355 1.00 44.34 H new ATOM 0 HH11 ARG A 42 3.220 15.286 -25.207 1.00 52.41 H new ATOM 0 HH12 ARG A 42 2.472 14.951 -26.772 1.00 52.41 H new ATOM 0 HH21 ARG A 42 5.515 14.155 -28.363 1.00 0.34 H new ATOM 0 HH22 ARG A 42 3.766 14.313 -28.552 1.00 0.34 H new ATOM 685 N LEU A 43 6.368 12.928 -20.200 1.00 51.45 N ATOM 686 CA LEU A 43 5.501 12.044 -19.429 1.00 2.21 C ATOM 687 C LEU A 43 4.041 12.224 -19.833 1.00 4.33 C ATOM 688 O LEU A 43 3.539 13.347 -19.895 1.00 75.44 O ATOM 689 CB LEU A 43 5.665 12.315 -17.932 1.00 44.34 C ATOM 690 CG LEU A 43 6.660 11.420 -17.193 1.00 61.42 C ATOM 691 CD1 LEU A 43 8.074 11.662 -17.698 1.00 60.22 C ATOM 692 CD2 LEU A 43 6.580 11.658 -15.692 1.00 55.15 C ATOM 0 H LEU A 43 6.536 13.836 -19.767 1.00 51.45 H new ATOM 0 HA LEU A 43 5.793 11.015 -19.640 1.00 2.21 H new ATOM 0 HB2 LEU A 43 5.974 13.352 -17.803 1.00 44.34 H new ATOM 0 HB3 LEU A 43 4.690 12.211 -17.455 1.00 44.34 H new ATOM 0 HG LEU A 43 6.399 10.380 -17.390 1.00 61.42 H new ATOM 0 HD11 LEU A 43 8.768 11.016 -17.160 1.00 60.22 H new ATOM 0 HD12 LEU A 43 8.123 11.439 -18.764 1.00 60.22 H new ATOM 0 HD13 LEU A 43 8.346 12.704 -17.532 1.00 60.22 H new ATOM 0 HD21 LEU A 43 7.295 11.012 -15.183 1.00 55.15 H new ATOM 0 HD22 LEU A 43 6.814 12.700 -15.476 1.00 55.15 H new ATOM 0 HD23 LEU A 43 5.573 11.432 -15.341 1.00 55.15 H new ATOM 704 N ILE A 44 3.366 11.112 -20.103 1.00 43.44 N ATOM 705 CA ILE A 44 1.963 11.148 -20.498 1.00 25.34 C ATOM 706 C ILE A 44 1.116 10.259 -19.594 1.00 30.30 C ATOM 707 O ILE A 44 1.470 9.110 -19.326 1.00 1.42 O ATOM 708 CB ILE A 44 1.778 10.700 -21.959 1.00 40.05 C ATOM 709 CG1 ILE A 44 2.719 11.481 -22.878 1.00 44.34 C ATOM 710 CG2 ILE A 44 0.331 10.887 -22.391 1.00 43.43 C ATOM 711 CD1 ILE A 44 2.416 12.962 -22.937 1.00 12.14 C ATOM 0 H ILE A 44 3.767 10.175 -20.056 1.00 43.44 H new ATOM 0 HA ILE A 44 1.633 12.182 -20.400 1.00 25.34 H new ATOM 0 HB ILE A 44 2.025 9.641 -22.033 1.00 40.05 H new ATOM 0 HG12 ILE A 44 3.745 11.342 -22.537 1.00 44.34 H new ATOM 0 HG13 ILE A 44 2.658 11.066 -23.884 1.00 44.34 H new ATOM 0 HG21 ILE A 44 0.216 10.566 -23.426 1.00 43.43 H new ATOM 0 HG22 ILE A 44 -0.320 10.290 -21.752 1.00 43.43 H new ATOM 0 HG23 ILE A 44 0.059 11.939 -22.305 1.00 43.43 H new ATOM 0 HD11 ILE A 44 3.123 13.452 -23.607 1.00 12.14 H new ATOM 0 HD12 ILE A 44 1.402 13.111 -23.307 1.00 12.14 H new ATOM 0 HD13 ILE A 44 2.505 13.392 -21.939 1.00 12.14 H new ATOM 723 N PHE A 45 -0.006 10.797 -19.128 1.00 75.53 N ATOM 724 CA PHE A 45 -0.906 10.052 -18.255 1.00 31.10 C ATOM 725 C PHE A 45 -2.338 10.562 -18.387 1.00 71.00 C ATOM 726 O PHE A 45 -2.588 11.765 -18.324 1.00 0.31 O ATOM 727 CB PHE A 45 -0.446 10.162 -16.800 1.00 24.10 C ATOM 728 CG PHE A 45 -1.250 9.320 -15.851 1.00 60.23 C ATOM 729 CD1 PHE A 45 -1.228 7.937 -15.942 1.00 5.31 C ATOM 730 CD2 PHE A 45 -2.028 9.911 -14.869 1.00 30.52 C ATOM 731 CE1 PHE A 45 -1.967 7.160 -15.071 1.00 14.33 C ATOM 732 CE2 PHE A 45 -2.770 9.139 -13.994 1.00 63.55 C ATOM 733 CZ PHE A 45 -2.738 7.761 -14.095 1.00 54.51 C ATOM 0 H PHE A 45 -0.314 11.746 -19.340 1.00 75.53 H new ATOM 0 HA PHE A 45 -0.882 9.005 -18.559 1.00 31.10 H new ATOM 0 HB2 PHE A 45 0.602 9.868 -16.735 1.00 24.10 H new ATOM 0 HB3 PHE A 45 -0.504 11.204 -16.487 1.00 24.10 H new ATOM 0 HD1 PHE A 45 -0.626 7.462 -16.702 1.00 5.31 H new ATOM 0 HD2 PHE A 45 -2.055 10.987 -14.786 1.00 30.52 H new ATOM 0 HE1 PHE A 45 -1.942 6.083 -15.153 1.00 14.33 H new ATOM 0 HE2 PHE A 45 -3.373 9.612 -13.233 1.00 63.55 H new ATOM 0 HZ PHE A 45 -3.315 7.155 -13.412 1.00 54.51 H new ATOM 743 N ALA A 46 -3.275 9.637 -18.571 1.00 44.23 N ATOM 744 CA ALA A 46 -4.681 9.992 -18.711 1.00 75.01 C ATOM 745 C ALA A 46 -4.904 10.888 -19.925 1.00 3.02 C ATOM 746 O ALA A 46 -5.882 11.631 -19.989 1.00 2.41 O ATOM 747 CB ALA A 46 -5.181 10.678 -17.448 1.00 21.51 C ATOM 0 H ALA A 46 -3.085 8.636 -18.626 1.00 44.23 H new ATOM 0 HA ALA A 46 -5.248 9.073 -18.861 1.00 75.01 H new ATOM 0 HB1 ALA A 46 -6.233 10.938 -17.567 1.00 21.51 H new ATOM 0 HB2 ALA A 46 -5.067 10.004 -16.599 1.00 21.51 H new ATOM 0 HB3 ALA A 46 -4.601 11.584 -17.272 1.00 21.51 H new ATOM 753 N GLY A 47 -3.988 10.813 -20.886 1.00 72.42 N ATOM 754 CA GLY A 47 -4.103 11.623 -22.085 1.00 23.23 C ATOM 755 C GLY A 47 -3.639 13.049 -21.867 1.00 10.44 C ATOM 756 O GLY A 47 -3.664 13.866 -22.788 1.00 4.25 O ATOM 0 H GLY A 47 -3.169 10.206 -20.856 1.00 72.42 H new ATOM 0 HA2 GLY A 47 -3.515 11.171 -22.883 1.00 23.23 H new ATOM 0 HA3 GLY A 47 -5.141 11.629 -22.418 1.00 23.23 H new ATOM 760 N LYS A 48 -3.216 13.352 -20.644 1.00 31.01 N ATOM 761 CA LYS A 48 -2.745 14.690 -20.306 1.00 31.21 C ATOM 762 C LYS A 48 -1.224 14.720 -20.199 1.00 42.21 C ATOM 763 O LYS A 48 -0.622 13.871 -19.543 1.00 33.33 O ATOM 764 CB LYS A 48 -3.369 15.155 -18.988 1.00 61.30 C ATOM 765 CG LYS A 48 -4.584 16.048 -19.172 1.00 22.53 C ATOM 766 CD LYS A 48 -4.194 17.418 -19.700 1.00 30.03 C ATOM 767 CE LYS A 48 -5.046 17.818 -20.894 1.00 55.31 C ATOM 768 NZ LYS A 48 -6.205 18.663 -20.491 1.00 4.03 N ATOM 0 H LYS A 48 -3.190 12.688 -19.870 1.00 31.01 H new ATOM 0 HA LYS A 48 -3.049 15.368 -21.104 1.00 31.21 H new ATOM 0 HB2 LYS A 48 -3.656 14.281 -18.403 1.00 61.30 H new ATOM 0 HB3 LYS A 48 -2.618 15.693 -18.410 1.00 61.30 H new ATOM 0 HG2 LYS A 48 -5.282 15.576 -19.863 1.00 22.53 H new ATOM 0 HG3 LYS A 48 -5.103 16.158 -18.220 1.00 22.53 H new ATOM 0 HD2 LYS A 48 -4.304 18.159 -18.908 1.00 30.03 H new ATOM 0 HD3 LYS A 48 -3.143 17.413 -19.987 1.00 30.03 H new ATOM 0 HE2 LYS A 48 -4.432 18.362 -21.612 1.00 55.31 H new ATOM 0 HE3 LYS A 48 -5.408 16.922 -21.398 1.00 55.31 H new ATOM 0 HZ1 LYS A 48 -6.761 18.915 -21.333 1.00 4.03 H new ATOM 0 HZ2 LYS A 48 -6.805 18.135 -19.825 1.00 4.03 H new ATOM 0 HZ3 LYS A 48 -5.860 19.530 -20.033 1.00 4.03 H new ATOM 782 N GLN A 49 -0.609 15.705 -20.847 1.00 72.51 N ATOM 783 CA GLN A 49 0.842 15.845 -20.823 1.00 60.35 C ATOM 784 C GLN A 49 1.316 16.378 -19.475 1.00 74.23 C ATOM 785 O GLN A 49 0.956 17.485 -19.072 1.00 73.24 O ATOM 786 CB GLN A 49 1.304 16.777 -21.945 1.00 13.13 C ATOM 787 CG GLN A 49 0.556 18.100 -21.983 1.00 12.04 C ATOM 788 CD GLN A 49 -0.474 18.157 -23.094 1.00 32.55 C ATOM 789 OE1 GLN A 49 -0.733 17.159 -23.767 1.00 33.31 O ATOM 790 NE2 GLN A 49 -1.068 19.327 -23.291 1.00 55.42 N ATOM 0 H GLN A 49 -1.093 16.417 -21.394 1.00 72.51 H new ATOM 0 HA GLN A 49 1.279 14.858 -20.976 1.00 60.35 H new ATOM 0 HB2 GLN A 49 2.369 16.975 -21.826 1.00 13.13 H new ATOM 0 HB3 GLN A 49 1.178 16.270 -22.902 1.00 13.13 H new ATOM 0 HG2 GLN A 49 0.061 18.261 -21.025 1.00 12.04 H new ATOM 0 HG3 GLN A 49 1.270 18.913 -22.113 1.00 12.04 H new ATOM 0 HE21 GLN A 49 -0.822 20.128 -22.709 1.00 55.42 H new ATOM 0 HE22 GLN A 49 -1.770 19.425 -24.024 1.00 55.42 H new ATOM 799 N LEU A 50 2.124 15.584 -18.782 1.00 31.12 N ATOM 800 CA LEU A 50 2.647 15.976 -17.478 1.00 20.34 C ATOM 801 C LEU A 50 3.303 17.351 -17.545 1.00 11.13 C ATOM 802 O LEU A 50 4.408 17.497 -18.066 1.00 0.03 O ATOM 803 CB LEU A 50 3.657 14.940 -16.979 1.00 52.42 C ATOM 804 CG LEU A 50 4.484 15.343 -15.758 1.00 15.05 C ATOM 805 CD1 LEU A 50 4.515 14.214 -14.739 1.00 11.43 C ATOM 806 CD2 LEU A 50 5.896 15.729 -16.173 1.00 31.52 C ATOM 0 H LEU A 50 2.431 14.665 -19.101 1.00 31.12 H new ATOM 0 HA LEU A 50 1.812 16.026 -16.779 1.00 20.34 H new ATOM 0 HB2 LEU A 50 3.119 14.022 -16.742 1.00 52.42 H new ATOM 0 HB3 LEU A 50 4.341 14.706 -17.795 1.00 52.42 H new ATOM 0 HG LEU A 50 4.014 16.211 -15.295 1.00 15.05 H new ATOM 0 HD11 LEU A 50 5.108 14.518 -13.877 1.00 11.43 H new ATOM 0 HD12 LEU A 50 3.499 13.986 -14.418 1.00 11.43 H new ATOM 0 HD13 LEU A 50 4.961 13.328 -15.191 1.00 11.43 H new ATOM 0 HD21 LEU A 50 6.470 16.013 -15.291 1.00 31.52 H new ATOM 0 HD22 LEU A 50 6.376 14.881 -16.661 1.00 31.52 H new ATOM 0 HD23 LEU A 50 5.855 16.570 -16.865 1.00 31.52 H new ATOM 818 N GLU A 51 2.615 18.356 -17.012 1.00 55.01 N ATOM 819 CA GLU A 51 3.132 19.719 -17.011 1.00 53.40 C ATOM 820 C GLU A 51 4.089 19.937 -15.843 1.00 3.10 C ATOM 821 O GLU A 51 3.825 19.505 -14.721 1.00 11.32 O ATOM 822 CB GLU A 51 1.981 20.725 -16.936 1.00 10.04 C ATOM 823 CG GLU A 51 2.439 22.174 -16.910 1.00 21.50 C ATOM 824 CD GLU A 51 1.489 23.099 -17.645 1.00 0.01 C ATOM 825 OE1 GLU A 51 0.339 22.686 -17.901 1.00 34.41 O ATOM 826 OE2 GLU A 51 1.895 24.236 -17.964 1.00 63.32 O ATOM 0 H GLU A 51 1.699 18.252 -16.576 1.00 55.01 H new ATOM 0 HA GLU A 51 3.680 19.873 -17.941 1.00 53.40 H new ATOM 0 HB2 GLU A 51 1.323 20.576 -17.792 1.00 10.04 H new ATOM 0 HB3 GLU A 51 1.391 20.523 -16.042 1.00 10.04 H new ATOM 0 HG2 GLU A 51 2.533 22.503 -15.875 1.00 21.50 H new ATOM 0 HG3 GLU A 51 3.430 22.246 -17.358 1.00 21.50 H new ATOM 833 N ASP A 52 5.202 20.609 -16.116 1.00 24.13 N ATOM 834 CA ASP A 52 6.200 20.885 -15.089 1.00 20.05 C ATOM 835 C ASP A 52 5.620 21.775 -13.993 1.00 64.42 C ATOM 836 O ASP A 52 6.026 21.695 -12.835 1.00 25.54 O ATOM 837 CB ASP A 52 7.429 21.552 -15.707 1.00 43.24 C ATOM 838 CG ASP A 52 8.039 20.723 -16.821 1.00 1.23 C ATOM 839 OD1 ASP A 52 7.994 19.478 -16.727 1.00 51.51 O ATOM 840 OD2 ASP A 52 8.561 21.319 -17.786 1.00 53.10 O ATOM 0 H ASP A 52 5.436 20.973 -17.040 1.00 24.13 H new ATOM 0 HA ASP A 52 6.498 19.936 -14.643 1.00 20.05 H new ATOM 0 HB2 ASP A 52 7.150 22.531 -16.097 1.00 43.24 H new ATOM 0 HB3 ASP A 52 8.176 21.719 -14.932 1.00 43.24 H new ATOM 845 N GLY A 53 4.669 22.624 -14.369 1.00 34.40 N ATOM 846 CA GLY A 53 4.050 23.517 -13.407 1.00 75.04 C ATOM 847 C GLY A 53 2.992 22.825 -12.571 1.00 15.22 C ATOM 848 O GLY A 53 2.364 23.447 -11.713 1.00 41.13 O ATOM 0 H GLY A 53 4.316 22.709 -15.322 1.00 34.40 H new ATOM 0 HA2 GLY A 53 4.817 23.927 -12.750 1.00 75.04 H new ATOM 0 HA3 GLY A 53 3.600 24.358 -13.934 1.00 75.04 H new ATOM 852 N ARG A 54 2.791 21.535 -12.821 1.00 44.41 N ATOM 853 CA ARG A 54 1.800 20.760 -12.086 1.00 73.53 C ATOM 854 C ARG A 54 2.462 19.927 -10.993 1.00 23.51 C ATOM 855 O ARG A 54 3.679 19.737 -10.993 1.00 21.34 O ATOM 856 CB ARG A 54 1.027 19.847 -13.040 1.00 35.32 C ATOM 857 CG ARG A 54 -0.131 20.539 -13.741 1.00 62.21 C ATOM 858 CD ARG A 54 -1.275 20.822 -12.781 1.00 32.15 C ATOM 859 NE ARG A 54 -2.579 20.643 -13.414 1.00 43.14 N ATOM 860 CZ ARG A 54 -3.724 21.022 -12.859 1.00 12.51 C ATOM 861 NH1 ARG A 54 -3.727 21.599 -11.665 1.00 41.00 N ATOM 862 NH2 ARG A 54 -4.870 20.826 -13.498 1.00 72.33 N ATOM 0 H ARG A 54 3.302 21.005 -13.527 1.00 44.41 H new ATOM 0 HA ARG A 54 1.105 21.457 -11.617 1.00 73.53 H new ATOM 0 HB2 ARG A 54 1.713 19.456 -13.791 1.00 35.32 H new ATOM 0 HB3 ARG A 54 0.644 18.993 -12.482 1.00 35.32 H new ATOM 0 HG2 ARG A 54 0.215 21.474 -14.181 1.00 62.21 H new ATOM 0 HG3 ARG A 54 -0.488 19.914 -14.560 1.00 62.21 H new ATOM 0 HD2 ARG A 54 -1.197 20.160 -11.919 1.00 32.15 H new ATOM 0 HD3 ARG A 54 -1.191 21.843 -12.408 1.00 32.15 H new ATOM 0 HE ARG A 54 -2.612 20.202 -14.333 1.00 43.14 H new ATOM 0 HH11 ARG A 54 -2.848 21.753 -11.171 1.00 41.00 H new ATOM 0 HH12 ARG A 54 -4.608 21.889 -11.241 1.00 41.00 H new ATOM 0 HH21 ARG A 54 -4.872 20.384 -14.417 1.00 72.33 H new ATOM 0 HH22 ARG A 54 -5.749 21.118 -13.070 1.00 72.33 H new ATOM 876 N THR A 55 1.653 19.431 -10.061 1.00 44.32 N ATOM 877 CA THR A 55 2.160 18.620 -8.962 1.00 5.35 C ATOM 878 C THR A 55 1.578 17.212 -9.003 1.00 2.11 C ATOM 879 O THR A 55 0.571 16.965 -9.667 1.00 15.12 O ATOM 880 CB THR A 55 1.836 19.258 -7.597 1.00 61.23 C ATOM 881 OG1 THR A 55 1.925 20.684 -7.690 1.00 10.05 O ATOM 882 CG2 THR A 55 2.789 18.754 -6.524 1.00 61.41 C ATOM 0 H THR A 55 0.644 19.577 -10.046 1.00 44.32 H new ATOM 0 HA THR A 55 3.242 18.566 -9.082 1.00 5.35 H new ATOM 0 HB THR A 55 0.821 18.975 -7.320 1.00 61.23 H new ATOM 0 HG1 THR A 55 1.716 21.082 -6.819 1.00 10.05 H new ATOM 0 HG21 THR A 55 2.541 19.218 -5.570 1.00 61.41 H new ATOM 0 HG22 THR A 55 2.698 17.671 -6.436 1.00 61.41 H new ATOM 0 HG23 THR A 55 3.813 19.011 -6.797 1.00 61.41 H new ATOM 890 N LEU A 56 2.217 16.292 -8.289 1.00 63.45 N ATOM 891 CA LEU A 56 1.762 14.907 -8.244 1.00 32.50 C ATOM 892 C LEU A 56 0.309 14.826 -7.786 1.00 22.24 C ATOM 893 O LEU A 56 -0.540 14.265 -8.478 1.00 13.11 O ATOM 894 CB LEU A 56 2.651 14.087 -7.306 1.00 54.35 C ATOM 895 CG LEU A 56 2.965 12.660 -7.757 1.00 2.24 C ATOM 896 CD1 LEU A 56 4.362 12.584 -8.353 1.00 1.30 C ATOM 897 CD2 LEU A 56 2.827 11.691 -6.592 1.00 22.13 C ATOM 0 H LEU A 56 3.052 16.480 -7.733 1.00 63.45 H new ATOM 0 HA LEU A 56 1.830 14.495 -9.251 1.00 32.50 H new ATOM 0 HB2 LEU A 56 3.592 14.620 -7.172 1.00 54.35 H new ATOM 0 HB3 LEU A 56 2.169 14.040 -6.329 1.00 54.35 H new ATOM 0 HG LEU A 56 2.248 12.376 -8.527 1.00 2.24 H new ATOM 0 HD11 LEU A 56 4.568 11.561 -8.668 1.00 1.30 H new ATOM 0 HD12 LEU A 56 4.427 13.249 -9.214 1.00 1.30 H new ATOM 0 HD13 LEU A 56 5.094 12.887 -7.604 1.00 1.30 H new ATOM 0 HD21 LEU A 56 3.054 10.680 -6.931 1.00 22.13 H new ATOM 0 HD22 LEU A 56 3.521 11.973 -5.800 1.00 22.13 H new ATOM 0 HD23 LEU A 56 1.807 11.725 -6.209 1.00 22.13 H new ATOM 909 N SER A 57 0.031 15.391 -6.615 1.00 51.45 N ATOM 910 CA SER A 57 -1.319 15.382 -6.064 1.00 22.14 C ATOM 911 C SER A 57 -2.283 16.137 -6.973 1.00 70.14 C ATOM 912 O SER A 57 -3.472 15.824 -7.032 1.00 72.22 O ATOM 913 CB SER A 57 -1.325 16.004 -4.666 1.00 14.21 C ATOM 914 OG SER A 57 -2.452 16.845 -4.488 1.00 1.25 O ATOM 0 H SER A 57 0.722 15.860 -6.030 1.00 51.45 H new ATOM 0 HA SER A 57 -1.650 14.346 -5.995 1.00 22.14 H new ATOM 0 HB2 SER A 57 -1.333 15.215 -3.914 1.00 14.21 H new ATOM 0 HB3 SER A 57 -0.411 16.579 -4.516 1.00 14.21 H new ATOM 0 HG SER A 57 -2.434 17.229 -3.587 1.00 1.25 H new ATOM 920 N ASP A 58 -1.761 17.133 -7.681 1.00 74.20 N ATOM 921 CA ASP A 58 -2.574 17.933 -8.589 1.00 54.23 C ATOM 922 C ASP A 58 -3.070 17.091 -9.761 1.00 31.35 C ATOM 923 O ASP A 58 -4.119 17.372 -10.341 1.00 11.14 O ATOM 924 CB ASP A 58 -1.772 19.128 -9.108 1.00 32.23 C ATOM 925 CG ASP A 58 -2.316 20.451 -8.607 1.00 40.51 C ATOM 926 OD1 ASP A 58 -3.531 20.692 -8.767 1.00 22.10 O ATOM 927 OD2 ASP A 58 -1.527 21.247 -8.056 1.00 44.43 O ATOM 0 H ASP A 58 -0.779 17.405 -7.643 1.00 74.20 H new ATOM 0 HA ASP A 58 -3.439 18.298 -8.035 1.00 54.23 H new ATOM 0 HB2 ASP A 58 -0.732 19.026 -8.799 1.00 32.23 H new ATOM 0 HB3 ASP A 58 -1.783 19.123 -10.198 1.00 32.23 H new ATOM 932 N TYR A 59 -2.309 16.058 -10.103 1.00 63.24 N ATOM 933 CA TYR A 59 -2.668 15.176 -11.208 1.00 14.50 C ATOM 934 C TYR A 59 -3.539 14.022 -10.722 1.00 71.22 C ATOM 935 O TYR A 59 -4.009 13.208 -11.516 1.00 21.32 O ATOM 936 CB TYR A 59 -1.409 14.631 -11.884 1.00 11.23 C ATOM 937 CG TYR A 59 -1.034 15.367 -13.150 1.00 53.50 C ATOM 938 CD1 TYR A 59 -1.910 15.428 -14.227 1.00 63.12 C ATOM 939 CD2 TYR A 59 0.195 16.004 -13.269 1.00 23.33 C ATOM 940 CE1 TYR A 59 -1.571 16.099 -15.386 1.00 62.12 C ATOM 941 CE2 TYR A 59 0.542 16.678 -14.423 1.00 40.34 C ATOM 942 CZ TYR A 59 -0.344 16.723 -15.479 1.00 72.44 C ATOM 943 OH TYR A 59 -0.003 17.393 -16.632 1.00 15.23 O ATOM 0 H TYR A 59 -1.439 15.810 -9.631 1.00 63.24 H new ATOM 0 HA TYR A 59 -3.238 15.757 -11.933 1.00 14.50 H new ATOM 0 HB2 TYR A 59 -0.577 14.686 -11.182 1.00 11.23 H new ATOM 0 HB3 TYR A 59 -1.560 13.577 -12.118 1.00 11.23 H new ATOM 0 HD1 TYR A 59 -2.872 14.943 -14.157 1.00 63.12 H new ATOM 0 HD2 TYR A 59 0.891 15.971 -12.444 1.00 23.33 H new ATOM 0 HE1 TYR A 59 -2.263 16.135 -16.215 1.00 62.12 H new ATOM 0 HE2 TYR A 59 1.502 17.167 -14.498 1.00 40.34 H new ATOM 0 HH TYR A 59 -0.324 16.890 -17.410 1.00 15.23 H new ATOM 953 N ASN A 60 -3.750 13.959 -9.411 1.00 50.14 N ATOM 954 CA ASN A 60 -4.564 12.905 -8.818 1.00 31.41 C ATOM 955 C ASN A 60 -3.956 11.531 -9.087 1.00 12.40 C ATOM 956 O ASN A 60 -4.675 10.550 -9.278 1.00 40.02 O ATOM 957 CB ASN A 60 -5.990 12.961 -9.370 1.00 60.40 C ATOM 958 CG ASN A 60 -6.997 13.405 -8.327 1.00 1.02 C ATOM 959 OD1 ASN A 60 -7.383 14.573 -8.279 1.00 33.11 O ATOM 960 ND2 ASN A 60 -7.427 12.473 -7.485 1.00 24.45 N ATOM 0 H ASN A 60 -3.368 14.625 -8.740 1.00 50.14 H new ATOM 0 HA ASN A 60 -4.592 13.066 -7.740 1.00 31.41 H new ATOM 0 HB2 ASN A 60 -6.022 13.646 -10.217 1.00 60.40 H new ATOM 0 HB3 ASN A 60 -6.270 11.977 -9.746 1.00 60.40 H new ATOM 0 HD21 ASN A 60 -8.105 12.713 -6.761 1.00 24.45 H new ATOM 0 HD22 ASN A 60 -7.080 11.517 -7.562 1.00 24.45 H new ATOM 967 N ILE A 61 -2.629 11.470 -9.100 1.00 0.34 N ATOM 968 CA ILE A 61 -1.925 10.218 -9.343 1.00 63.44 C ATOM 969 C ILE A 61 -1.988 9.305 -8.123 1.00 43.12 C ATOM 970 O ILE A 61 -1.274 9.514 -7.143 1.00 13.54 O ATOM 971 CB ILE A 61 -0.449 10.463 -9.711 1.00 15.40 C ATOM 972 CG1 ILE A 61 -0.352 11.363 -10.945 1.00 23.12 C ATOM 973 CG2 ILE A 61 0.263 9.141 -9.955 1.00 10.43 C ATOM 974 CD1 ILE A 61 1.044 11.885 -11.203 1.00 64.42 C ATOM 0 H ILE A 61 -2.020 12.273 -8.945 1.00 0.34 H new ATOM 0 HA ILE A 61 -2.425 9.734 -10.182 1.00 63.44 H new ATOM 0 HB ILE A 61 0.040 10.967 -8.877 1.00 15.40 H new ATOM 0 HG12 ILE A 61 -0.690 10.806 -11.819 1.00 23.12 H new ATOM 0 HG13 ILE A 61 -1.030 12.207 -10.823 1.00 23.12 H new ATOM 0 HG21 ILE A 61 1.305 9.331 -10.214 1.00 10.43 H new ATOM 0 HG22 ILE A 61 0.219 8.532 -9.052 1.00 10.43 H new ATOM 0 HG23 ILE A 61 -0.224 8.611 -10.774 1.00 10.43 H new ATOM 0 HD11 ILE A 61 1.038 12.515 -12.092 1.00 64.42 H new ATOM 0 HD12 ILE A 61 1.378 12.470 -10.346 1.00 64.42 H new ATOM 0 HD13 ILE A 61 1.723 11.047 -11.357 1.00 64.42 H new ATOM 986 N GLN A 62 -2.845 8.292 -8.193 1.00 21.34 N ATOM 987 CA GLN A 62 -3.000 7.346 -7.093 1.00 42.25 C ATOM 988 C GLN A 62 -1.784 6.432 -6.986 1.00 44.22 C ATOM 989 O GLN A 62 -0.856 6.518 -7.791 1.00 3.41 O ATOM 990 CB GLN A 62 -4.266 6.510 -7.287 1.00 23.31 C ATOM 991 CG GLN A 62 -5.546 7.255 -6.944 1.00 64.05 C ATOM 992 CD GLN A 62 -5.702 7.493 -5.455 1.00 42.05 C ATOM 993 OE1 GLN A 62 -5.087 8.399 -4.892 1.00 24.30 O ATOM 994 NE2 GLN A 62 -6.528 6.679 -4.809 1.00 30.00 N ATOM 0 H GLN A 62 -3.442 8.105 -8.998 1.00 21.34 H new ATOM 0 HA GLN A 62 -3.087 7.914 -6.167 1.00 42.25 H new ATOM 0 HB2 GLN A 62 -4.316 6.177 -8.324 1.00 23.31 H new ATOM 0 HB3 GLN A 62 -4.199 5.616 -6.668 1.00 23.31 H new ATOM 0 HG2 GLN A 62 -5.555 8.213 -7.464 1.00 64.05 H new ATOM 0 HG3 GLN A 62 -6.402 6.687 -7.309 1.00 64.05 H new ATOM 0 HE21 GLN A 62 -7.017 5.941 -5.316 1.00 30.00 H new ATOM 0 HE22 GLN A 62 -6.674 6.791 -3.806 1.00 30.00 H new ATOM 1003 N LYS A 63 -1.794 5.557 -5.987 1.00 31.41 N ATOM 1004 CA LYS A 63 -0.693 4.625 -5.774 1.00 21.13 C ATOM 1005 C LYS A 63 -0.716 3.508 -6.812 1.00 54.04 C ATOM 1006 O LYS A 63 -1.783 3.036 -7.205 1.00 1.40 O ATOM 1007 CB LYS A 63 -0.767 4.029 -4.366 1.00 74.43 C ATOM 1008 CG LYS A 63 -2.089 3.344 -4.065 1.00 15.31 C ATOM 1009 CD LYS A 63 -1.941 2.301 -2.970 1.00 4.20 C ATOM 1010 CE LYS A 63 -3.156 2.275 -2.056 1.00 0.31 C ATOM 1011 NZ LYS A 63 -3.042 1.220 -1.011 1.00 41.32 N ATOM 0 H LYS A 63 -2.553 5.473 -5.311 1.00 31.41 H new ATOM 0 HA LYS A 63 0.241 5.176 -5.880 1.00 21.13 H new ATOM 0 HB2 LYS A 63 0.042 3.309 -4.242 1.00 74.43 H new ATOM 0 HB3 LYS A 63 -0.603 4.822 -3.636 1.00 74.43 H new ATOM 0 HG2 LYS A 63 -2.825 4.089 -3.762 1.00 15.31 H new ATOM 0 HG3 LYS A 63 -2.469 2.871 -4.970 1.00 15.31 H new ATOM 0 HD2 LYS A 63 -1.802 1.318 -3.419 1.00 4.20 H new ATOM 0 HD3 LYS A 63 -1.047 2.513 -2.383 1.00 4.20 H new ATOM 0 HE2 LYS A 63 -3.272 3.248 -1.579 1.00 0.31 H new ATOM 0 HE3 LYS A 63 -4.054 2.102 -2.650 1.00 0.31 H new ATOM 0 HZ1 LYS A 63 -3.890 1.235 -0.409 1.00 41.32 H new ATOM 0 HZ2 LYS A 63 -2.957 0.289 -1.466 1.00 41.32 H new ATOM 0 HZ3 LYS A 63 -2.200 1.399 -0.428 1.00 41.32 H new ATOM 1025 N GLU A 64 0.466 3.089 -7.252 1.00 5.44 N ATOM 1026 CA GLU A 64 0.580 2.027 -8.244 1.00 53.44 C ATOM 1027 C GLU A 64 0.227 2.544 -9.636 1.00 73.22 C ATOM 1028 O GLU A 64 -0.237 1.789 -10.491 1.00 21.00 O ATOM 1029 CB GLU A 64 -0.333 0.856 -7.877 1.00 21.45 C ATOM 1030 CG GLU A 64 0.337 -0.502 -8.008 1.00 53.00 C ATOM 1031 CD GLU A 64 -0.651 -1.650 -7.929 1.00 51.25 C ATOM 1032 OE1 GLU A 64 -1.807 -1.411 -7.523 1.00 75.41 O ATOM 1033 OE2 GLU A 64 -0.267 -2.787 -8.275 1.00 0.10 O ATOM 0 H GLU A 64 1.359 3.469 -6.937 1.00 5.44 H new ATOM 0 HA GLU A 64 1.614 1.683 -8.254 1.00 53.44 H new ATOM 0 HB2 GLU A 64 -0.679 0.984 -6.851 1.00 21.45 H new ATOM 0 HB3 GLU A 64 -1.215 0.880 -8.517 1.00 21.45 H new ATOM 0 HG2 GLU A 64 0.869 -0.550 -8.958 1.00 53.00 H new ATOM 0 HG3 GLU A 64 1.081 -0.613 -7.220 1.00 53.00 H new ATOM 1040 N SER A 65 0.449 3.836 -9.856 1.00 20.24 N ATOM 1041 CA SER A 65 0.151 4.455 -11.141 1.00 55.35 C ATOM 1042 C SER A 65 1.244 4.147 -12.160 1.00 31.02 C ATOM 1043 O SER A 65 2.403 3.935 -11.800 1.00 75.53 O ATOM 1044 CB SER A 65 0.001 5.969 -10.980 1.00 13.24 C ATOM 1045 OG SER A 65 -1.345 6.372 -11.169 1.00 22.34 O ATOM 0 H SER A 65 0.835 4.474 -9.160 1.00 20.24 H new ATOM 0 HA SER A 65 -0.789 4.040 -11.506 1.00 55.35 H new ATOM 0 HB2 SER A 65 0.337 6.267 -9.987 1.00 13.24 H new ATOM 0 HB3 SER A 65 0.641 6.479 -11.700 1.00 13.24 H new ATOM 0 HG SER A 65 -1.453 6.739 -12.071 1.00 22.34 H new ATOM 1051 N THR A 66 0.867 4.124 -13.435 1.00 3.03 N ATOM 1052 CA THR A 66 1.814 3.841 -14.506 1.00 74.22 C ATOM 1053 C THR A 66 1.967 5.039 -15.436 1.00 12.45 C ATOM 1054 O THR A 66 0.990 5.518 -16.014 1.00 4.41 O ATOM 1055 CB THR A 66 1.376 2.617 -15.333 1.00 41.12 C ATOM 1056 OG1 THR A 66 1.294 1.461 -14.492 1.00 10.31 O ATOM 1057 CG2 THR A 66 2.353 2.355 -16.470 1.00 35.01 C ATOM 0 H THR A 66 -0.087 4.298 -13.751 1.00 3.03 H new ATOM 0 HA THR A 66 2.772 3.628 -14.032 1.00 74.22 H new ATOM 0 HB THR A 66 0.395 2.826 -15.759 1.00 41.12 H new ATOM 0 HG1 THR A 66 1.013 0.688 -15.025 1.00 10.31 H new ATOM 0 HG21 THR A 66 2.023 1.486 -17.040 1.00 35.01 H new ATOM 0 HG22 THR A 66 2.391 3.226 -17.125 1.00 35.01 H new ATOM 0 HG23 THR A 66 3.345 2.165 -16.061 1.00 35.01 H new ATOM 1065 N LEU A 67 3.197 5.520 -15.576 1.00 23.14 N ATOM 1066 CA LEU A 67 3.479 6.663 -16.436 1.00 52.55 C ATOM 1067 C LEU A 67 4.284 6.239 -17.660 1.00 63.21 C ATOM 1068 O LEU A 67 5.069 5.292 -17.602 1.00 23.44 O ATOM 1069 CB LEU A 67 4.240 7.738 -15.658 1.00 24.30 C ATOM 1070 CG LEU A 67 3.437 8.977 -15.264 1.00 12.35 C ATOM 1071 CD1 LEU A 67 3.164 9.846 -16.481 1.00 41.54 C ATOM 1072 CD2 LEU A 67 2.133 8.576 -14.590 1.00 32.41 C ATOM 0 H LEU A 67 4.016 5.136 -15.104 1.00 23.14 H new ATOM 0 HA LEU A 67 2.528 7.074 -16.774 1.00 52.55 H new ATOM 0 HB2 LEU A 67 4.641 7.286 -14.751 1.00 24.30 H new ATOM 0 HB3 LEU A 67 5.092 8.058 -16.258 1.00 24.30 H new ATOM 0 HG LEU A 67 4.027 9.557 -14.554 1.00 12.35 H new ATOM 0 HD11 LEU A 67 2.591 10.723 -16.181 1.00 41.54 H new ATOM 0 HD12 LEU A 67 4.109 10.163 -16.921 1.00 41.54 H new ATOM 0 HD13 LEU A 67 2.595 9.275 -17.215 1.00 41.54 H new ATOM 0 HD21 LEU A 67 1.575 9.471 -14.316 1.00 32.41 H new ATOM 0 HD22 LEU A 67 1.539 7.973 -15.277 1.00 32.41 H new ATOM 0 HD23 LEU A 67 2.350 7.996 -13.693 1.00 32.41 H new ATOM 1084 N HIS A 68 4.086 6.947 -18.768 1.00 24.14 N ATOM 1085 CA HIS A 68 4.797 6.645 -20.005 1.00 73.12 C ATOM 1086 C HIS A 68 6.078 7.467 -20.111 1.00 32.23 C ATOM 1087 O HIS A 68 6.106 8.642 -19.744 1.00 12.33 O ATOM 1088 CB HIS A 68 3.900 6.919 -21.213 1.00 11.43 C ATOM 1089 CG HIS A 68 4.259 6.112 -22.422 1.00 22.54 C ATOM 1090 ND1 HIS A 68 5.360 6.382 -23.207 1.00 74.55 N ATOM 1091 CD2 HIS A 68 3.657 5.034 -22.977 1.00 63.11 C ATOM 1092 CE1 HIS A 68 5.418 5.506 -24.195 1.00 41.10 C ATOM 1093 NE2 HIS A 68 4.397 4.677 -24.078 1.00 33.22 N ATOM 0 H HIS A 68 3.439 7.733 -18.834 1.00 24.14 H new ATOM 0 HA HIS A 68 5.065 5.588 -19.992 1.00 73.12 H new ATOM 0 HB2 HIS A 68 2.865 6.710 -20.941 1.00 11.43 H new ATOM 0 HB3 HIS A 68 3.956 7.978 -21.464 1.00 11.43 H new ATOM 0 HD2 HIS A 68 2.762 4.546 -22.621 1.00 63.11 H new ATOM 0 HE1 HIS A 68 6.173 5.474 -24.967 1.00 41.10 H new ATOM 0 HE2 HIS A 68 4.191 3.898 -24.703 1.00 33.22 H new ATOM 1101 N LEU A 69 7.136 6.841 -20.613 1.00 45.24 N ATOM 1102 CA LEU A 69 8.422 7.514 -20.767 1.00 14.34 C ATOM 1103 C LEU A 69 8.901 7.449 -22.213 1.00 43.21 C ATOM 1104 O LEU A 69 9.293 6.389 -22.701 1.00 45.21 O ATOM 1105 CB LEU A 69 9.464 6.882 -19.843 1.00 0.33 C ATOM 1106 CG LEU A 69 9.039 6.684 -18.387 1.00 72.14 C ATOM 1107 CD1 LEU A 69 9.761 5.492 -17.778 1.00 53.20 C ATOM 1108 CD2 LEU A 69 9.307 7.944 -17.577 1.00 32.31 C ATOM 0 H LEU A 69 7.130 5.868 -20.921 1.00 45.24 H new ATOM 0 HA LEU A 69 8.291 8.561 -20.494 1.00 14.34 H new ATOM 0 HB2 LEU A 69 9.744 5.912 -20.254 1.00 0.33 H new ATOM 0 HB3 LEU A 69 10.359 7.505 -19.858 1.00 0.33 H new ATOM 0 HG LEU A 69 7.968 6.484 -18.365 1.00 72.14 H new ATOM 0 HD11 LEU A 69 9.446 5.366 -16.742 1.00 53.20 H new ATOM 0 HD12 LEU A 69 9.518 4.592 -18.343 1.00 53.20 H new ATOM 0 HD13 LEU A 69 10.837 5.662 -17.812 1.00 53.20 H new ATOM 0 HD21 LEU A 69 8.998 7.785 -16.544 1.00 32.31 H new ATOM 0 HD22 LEU A 69 10.372 8.176 -17.606 1.00 32.31 H new ATOM 0 HD23 LEU A 69 8.743 8.775 -18.000 1.00 32.31 H new ATOM 1120 N VAL A 70 8.869 8.591 -22.894 1.00 23.42 N ATOM 1121 CA VAL A 70 9.304 8.664 -24.283 1.00 41.35 C ATOM 1122 C VAL A 70 10.711 9.241 -24.389 1.00 42.41 C ATOM 1123 O VAL A 70 11.143 10.015 -23.533 1.00 71.11 O ATOM 1124 CB VAL A 70 8.344 9.524 -25.127 1.00 71.22 C ATOM 1125 CG1 VAL A 70 8.627 11.003 -24.918 1.00 3.45 C ATOM 1126 CG2 VAL A 70 8.453 9.155 -26.599 1.00 30.11 C ATOM 0 H VAL A 70 8.546 9.477 -22.506 1.00 23.42 H new ATOM 0 HA VAL A 70 9.302 7.645 -24.669 1.00 41.35 H new ATOM 0 HB VAL A 70 7.323 9.325 -24.800 1.00 71.22 H new ATOM 0 HG11 VAL A 70 7.939 11.594 -25.522 1.00 3.45 H new ATOM 0 HG12 VAL A 70 8.493 11.254 -23.866 1.00 3.45 H new ATOM 0 HG13 VAL A 70 9.652 11.223 -25.216 1.00 3.45 H new ATOM 0 HG21 VAL A 70 7.768 9.772 -27.180 1.00 30.11 H new ATOM 0 HG22 VAL A 70 9.474 9.324 -26.942 1.00 30.11 H new ATOM 0 HG23 VAL A 70 8.195 8.104 -26.731 1.00 30.11 H new ATOM 1136 N LEU A 71 11.423 8.861 -25.444 1.00 52.35 N ATOM 1137 CA LEU A 71 12.783 9.341 -25.664 1.00 12.45 C ATOM 1138 C LEU A 71 12.854 10.228 -26.903 1.00 3.25 C ATOM 1139 O LEU A 71 12.193 9.963 -27.907 1.00 1.24 O ATOM 1140 CB LEU A 71 13.744 8.161 -25.811 1.00 70.43 C ATOM 1141 CG LEU A 71 14.865 8.074 -24.775 1.00 32.42 C ATOM 1142 CD1 LEU A 71 14.881 6.701 -24.120 1.00 42.03 C ATOM 1143 CD2 LEU A 71 16.210 8.376 -25.418 1.00 4.02 C ATOM 0 H LEU A 71 11.081 8.221 -26.161 1.00 52.35 H new ATOM 0 HA LEU A 71 13.077 9.934 -24.798 1.00 12.45 H new ATOM 0 HB2 LEU A 71 13.164 7.239 -25.768 1.00 70.43 H new ATOM 0 HB3 LEU A 71 14.195 8.207 -26.802 1.00 70.43 H new ATOM 0 HG LEU A 71 14.679 8.820 -24.003 1.00 32.42 H new ATOM 0 HD11 LEU A 71 15.685 6.658 -23.386 1.00 42.03 H new ATOM 0 HD12 LEU A 71 13.927 6.523 -23.624 1.00 42.03 H new ATOM 0 HD13 LEU A 71 15.042 5.937 -24.880 1.00 42.03 H new ATOM 0 HD21 LEU A 71 16.996 8.309 -24.666 1.00 4.02 H new ATOM 0 HD22 LEU A 71 16.405 7.654 -26.211 1.00 4.02 H new ATOM 0 HD23 LEU A 71 16.195 9.381 -25.839 1.00 4.02 H new ATOM 1155 N ARG A 72 13.662 11.280 -26.825 1.00 5.41 N ATOM 1156 CA ARG A 72 13.821 12.206 -27.940 1.00 62.33 C ATOM 1157 C ARG A 72 15.092 11.897 -28.726 1.00 70.34 C ATOM 1158 O ARG A 72 16.198 11.954 -28.187 1.00 50.11 O ATOM 1159 CB ARG A 72 13.861 13.648 -27.432 1.00 41.13 C ATOM 1160 CG ARG A 72 13.373 14.666 -28.450 1.00 72.00 C ATOM 1161 CD ARG A 72 11.911 14.443 -28.804 1.00 32.40 C ATOM 1162 NE ARG A 72 11.069 14.341 -27.615 1.00 1.52 N ATOM 1163 CZ ARG A 72 9.786 14.000 -27.650 1.00 31.43 C ATOM 1164 NH1 ARG A 72 9.200 13.727 -28.807 1.00 63.15 N ATOM 1165 NH2 ARG A 72 9.086 13.929 -26.525 1.00 0.35 N ATOM 0 H ARG A 72 14.217 11.513 -26.001 1.00 5.41 H new ATOM 0 HA ARG A 72 12.965 12.086 -28.604 1.00 62.33 H new ATOM 0 HB2 ARG A 72 13.250 13.725 -26.533 1.00 41.13 H new ATOM 0 HB3 ARG A 72 14.883 13.895 -27.145 1.00 41.13 H new ATOM 0 HG2 ARG A 72 13.502 15.672 -28.051 1.00 72.00 H new ATOM 0 HG3 ARG A 72 13.981 14.600 -29.352 1.00 72.00 H new ATOM 0 HD2 ARG A 72 11.560 15.265 -29.427 1.00 32.40 H new ATOM 0 HD3 ARG A 72 11.816 13.532 -29.395 1.00 32.40 H new ATOM 0 HE ARG A 72 11.490 14.543 -26.708 1.00 1.52 H new ATOM 0 HH11 ARG A 72 9.735 13.778 -29.674 1.00 63.15 H new ATOM 0 HH12 ARG A 72 8.214 13.465 -28.830 1.00 63.15 H new ATOM 0 HH21 ARG A 72 9.533 14.136 -25.632 1.00 0.35 H new ATOM 0 HH22 ARG A 72 8.101 13.667 -26.553 1.00 0.35 H new ATOM 1179 N LEU A 73 14.926 11.569 -30.003 1.00 25.40 N ATOM 1180 CA LEU A 73 16.060 11.250 -30.864 1.00 60.31 C ATOM 1181 C LEU A 73 16.650 12.515 -31.479 1.00 14.00 C ATOM 1182 O LEU A 73 15.925 13.458 -31.798 1.00 21.21 O ATOM 1183 CB LEU A 73 15.630 10.284 -31.970 1.00 11.30 C ATOM 1184 CG LEU A 73 16.570 9.108 -32.237 1.00 34.11 C ATOM 1185 CD1 LEU A 73 15.962 7.812 -31.722 1.00 44.21 C ATOM 1186 CD2 LEU A 73 16.880 9.000 -33.723 1.00 4.13 C ATOM 0 H LEU A 73 14.018 11.517 -30.465 1.00 25.40 H new ATOM 0 HA LEU A 73 16.826 10.774 -30.252 1.00 60.31 H new ATOM 0 HB2 LEU A 73 14.647 9.887 -31.716 1.00 11.30 H new ATOM 0 HB3 LEU A 73 15.516 10.850 -32.895 1.00 11.30 H new ATOM 0 HG LEU A 73 17.504 9.285 -31.703 1.00 34.11 H new ATOM 0 HD11 LEU A 73 16.645 6.986 -31.921 1.00 44.21 H new ATOM 0 HD12 LEU A 73 15.791 7.892 -30.648 1.00 44.21 H new ATOM 0 HD13 LEU A 73 15.014 7.629 -32.228 1.00 44.21 H new ATOM 0 HD21 LEU A 73 17.550 8.158 -33.895 1.00 4.13 H new ATOM 0 HD22 LEU A 73 15.954 8.846 -34.278 1.00 4.13 H new ATOM 0 HD23 LEU A 73 17.358 9.919 -34.063 1.00 4.13 H new ATOM 1198 N ARG A 74 17.968 12.527 -31.644 1.00 43.33 N ATOM 1199 CA ARG A 74 18.655 13.676 -32.222 1.00 41.22 C ATOM 1200 C ARG A 74 19.295 13.311 -33.559 1.00 12.44 C ATOM 1201 O ARG A 74 20.244 12.531 -33.612 1.00 4.15 O ATOM 1202 CB ARG A 74 19.723 14.196 -31.259 1.00 2.55 C ATOM 1203 CG ARG A 74 19.652 15.696 -31.022 1.00 54.21 C ATOM 1204 CD ARG A 74 21.035 16.327 -31.023 1.00 43.15 C ATOM 1205 NE ARG A 74 21.564 16.490 -29.672 1.00 13.32 N ATOM 1206 CZ ARG A 74 22.669 17.171 -29.392 1.00 44.44 C ATOM 1207 NH1 ARG A 74 23.359 17.750 -30.366 1.00 4.05 N ATOM 1208 NH2 ARG A 74 23.087 17.275 -28.137 1.00 54.30 N ATOM 0 H ARG A 74 18.582 11.754 -31.386 1.00 43.33 H new ATOM 0 HA ARG A 74 17.917 14.460 -32.394 1.00 41.22 H new ATOM 0 HB2 ARG A 74 19.621 13.681 -30.304 1.00 2.55 H new ATOM 0 HB3 ARG A 74 20.708 13.945 -31.653 1.00 2.55 H new ATOM 0 HG2 ARG A 74 19.039 16.159 -31.796 1.00 54.21 H new ATOM 0 HG3 ARG A 74 19.162 15.892 -30.068 1.00 54.21 H new ATOM 0 HD2 ARG A 74 21.716 15.707 -31.606 1.00 43.15 H new ATOM 0 HD3 ARG A 74 20.989 17.299 -31.514 1.00 43.15 H new ATOM 0 HE ARG A 74 21.057 16.057 -28.900 1.00 13.32 H new ATOM 0 HH11 ARG A 74 23.041 17.673 -31.332 1.00 4.05 H new ATOM 0 HH12 ARG A 74 24.208 18.273 -30.149 1.00 4.05 H new ATOM 0 HH21 ARG A 74 22.559 16.831 -27.385 1.00 54.30 H new ATOM 0 HH22 ARG A 74 23.936 17.799 -27.924 1.00 54.30 H new ATOM 1222 N GLY A 75 18.766 13.882 -34.637 1.00 64.13 N ATOM 1223 CA GLY A 75 19.298 13.604 -35.959 1.00 12.21 C ATOM 1224 C GLY A 75 18.269 12.976 -36.877 1.00 74.43 C ATOM 1225 O GLY A 75 17.843 11.842 -36.660 1.00 70.15 O ATOM 0 H GLY A 75 17.980 14.531 -34.619 1.00 64.13 H new ATOM 0 HA2 GLY A 75 19.660 14.531 -36.404 1.00 12.21 H new ATOM 0 HA3 GLY A 75 20.156 12.937 -35.869 1.00 12.21 H new ATOM 1229 N GLY A 76 17.866 13.715 -37.907 1.00 31.15 N ATOM 1230 CA GLY A 76 16.882 13.207 -38.844 1.00 54.23 C ATOM 1231 C GLY A 76 16.489 14.236 -39.886 1.00 61.34 C ATOM 1232 O GLY A 76 16.576 13.944 -41.078 1.00 43.22 O ATOM 0 H GLY A 76 18.204 14.656 -38.109 1.00 31.15 H new ATOM 0 HA2 GLY A 76 17.281 12.324 -39.342 1.00 54.23 H new ATOM 0 HA3 GLY A 76 15.994 12.890 -38.297 1.00 54.23 H new