USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 661 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 136:sc= -0.737 (180deg=-3.63!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0268 USER MOD Single : A 6 LYS NZ :NH3+ -141:sc=-0.00194 (180deg=-0.0727) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= -1.44 (180deg=-2.09) USER MOD Single : A 18 ASN : amide:sc= -0.0955 K(o=-0.095,f=-0.73) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 69:sc= 0.689 USER MOD Single : A 37 SER OG : rot 180:sc= -0.206 USER MOD Single : A 38 THR OG1 : rot -140:sc= -1.28 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0563) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 176:sc= -1.79 (180deg=-2) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -2.25 K(o=-2.2,f=-2.9) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.851 F(o=-2.9,f=-0.85) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 58 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.056) USER MOD Single : A 60 MET CE :methyl -167:sc= 0 (180deg=-0.0906) USER MOD Single : A 69 SER OG : rot 93:sc= 0.803 USER MOD Single : A 71 THR OG1 : rot -170:sc= 0 USER MOD Single : A 80 MET CE :methyl -161:sc= -0.977 (180deg=-2.41) USER MOD Single : A 81 MET CE :methyl 139:sc= -1.54 (180deg=-2.51) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -168:sc= -6.27! (180deg=-6.55!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0102 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.468 -5.146 0.501 1.00 4.12 N ATOM 2 CA MET A 1 1.215 -4.182 -0.299 1.00 1.13 C ATOM 3 C MET A 1 2.587 -4.734 -0.674 1.00 52.41 C ATOM 4 O MET A 1 3.558 -4.563 0.063 1.00 31.03 O ATOM 5 CB MET A 1 1.373 -2.866 0.466 1.00 65.31 C ATOM 6 CG MET A 1 2.282 -1.865 -0.229 1.00 72.01 C ATOM 7 SD MET A 1 2.526 -0.362 0.736 1.00 13.22 S ATOM 8 CE MET A 1 2.419 0.885 -0.546 1.00 31.34 C ATOM 0 H1 MET A 1 -0.462 -4.749 0.744 1.00 4.12 H new ATOM 0 H2 MET A 1 0.338 -6.023 -0.043 1.00 4.12 H new ATOM 0 H3 MET A 1 0.994 -5.355 1.373 1.00 4.12 H new ATOM 0 HA MET A 1 0.655 -3.996 -1.216 1.00 1.13 H new ATOM 0 HB2 MET A 1 0.390 -2.416 0.606 1.00 65.31 H new ATOM 0 HB3 MET A 1 1.771 -3.078 1.459 1.00 65.31 H new ATOM 0 HG2 MET A 1 3.249 -2.330 -0.421 1.00 72.01 H new ATOM 0 HG3 MET A 1 1.856 -1.605 -1.198 1.00 72.01 H new ATOM 0 HE1 MET A 1 1.803 1.714 -0.197 1.00 31.34 H new ATOM 0 HE2 MET A 1 3.418 1.250 -0.783 1.00 31.34 H new ATOM 0 HE3 MET A 1 1.970 0.451 -1.439 1.00 31.34 H new ATOM 18 N ASP A 2 2.659 -5.395 -1.824 1.00 30.33 N ATOM 19 CA ASP A 2 3.912 -5.971 -2.297 1.00 22.50 C ATOM 20 C ASP A 2 4.727 -4.939 -3.070 1.00 61.32 C ATOM 21 O ASP A 2 4.576 -4.797 -4.284 1.00 21.13 O ATOM 22 CB ASP A 2 3.637 -7.189 -3.181 1.00 51.43 C ATOM 23 CG ASP A 2 3.442 -8.458 -2.375 1.00 43.22 C ATOM 24 OD1 ASP A 2 2.295 -8.729 -1.963 1.00 71.43 O ATOM 25 OD2 ASP A 2 4.437 -9.180 -2.157 1.00 3.21 O ATOM 0 H ASP A 2 1.864 -5.545 -2.446 1.00 30.33 H new ATOM 0 HA ASP A 2 4.489 -6.286 -1.428 1.00 22.50 H new ATOM 0 HB2 ASP A 2 2.747 -7.004 -3.783 1.00 51.43 H new ATOM 0 HB3 ASP A 2 4.467 -7.326 -3.874 1.00 51.43 H new ATOM 30 N ASP A 3 5.590 -4.221 -2.360 1.00 35.15 N ATOM 31 CA ASP A 3 6.429 -3.202 -2.979 1.00 14.22 C ATOM 32 C ASP A 3 7.376 -3.824 -3.999 1.00 63.33 C ATOM 33 O ASP A 3 7.842 -3.151 -4.919 1.00 62.43 O ATOM 34 CB ASP A 3 7.229 -2.452 -1.912 1.00 73.42 C ATOM 35 CG ASP A 3 8.342 -3.297 -1.324 1.00 43.53 C ATOM 36 OD1 ASP A 3 8.049 -4.139 -0.451 1.00 25.14 O ATOM 37 OD2 ASP A 3 9.507 -3.114 -1.737 1.00 51.02 O ATOM 0 H ASP A 3 5.727 -4.326 -1.355 1.00 35.15 H new ATOM 0 HA ASP A 3 5.779 -2.497 -3.497 1.00 14.22 H new ATOM 0 HB2 ASP A 3 7.654 -1.549 -2.349 1.00 73.42 H new ATOM 0 HB3 ASP A 3 6.557 -2.135 -1.114 1.00 73.42 H new ATOM 42 N ILE A 4 7.658 -5.112 -3.829 1.00 54.24 N ATOM 43 CA ILE A 4 8.549 -5.824 -4.736 1.00 24.42 C ATOM 44 C ILE A 4 8.031 -5.774 -6.169 1.00 62.41 C ATOM 45 O ILE A 4 8.810 -5.786 -7.123 1.00 21.24 O ATOM 46 CB ILE A 4 8.721 -7.296 -4.315 1.00 4.10 C ATOM 47 CG1 ILE A 4 9.531 -8.058 -5.366 1.00 25.14 C ATOM 48 CG2 ILE A 4 7.363 -7.950 -4.108 1.00 44.23 C ATOM 49 CD1 ILE A 4 10.500 -9.058 -4.773 1.00 74.24 C ATOM 0 H ILE A 4 7.282 -5.683 -3.072 1.00 54.24 H new ATOM 0 HA ILE A 4 9.516 -5.324 -4.685 1.00 24.42 H new ATOM 0 HB ILE A 4 9.265 -7.328 -3.371 1.00 4.10 H new ATOM 0 HG12 ILE A 4 8.845 -8.580 -6.033 1.00 25.14 H new ATOM 0 HG13 ILE A 4 10.086 -7.343 -5.974 1.00 25.14 H new ATOM 0 HG21 ILE A 4 7.501 -8.990 -3.811 1.00 44.23 H new ATOM 0 HG22 ILE A 4 6.819 -7.419 -3.327 1.00 44.23 H new ATOM 0 HG23 ILE A 4 6.795 -7.911 -5.037 1.00 44.23 H new ATOM 0 HD11 ILE A 4 11.040 -9.561 -5.575 1.00 74.24 H new ATOM 0 HD12 ILE A 4 11.209 -8.539 -4.128 1.00 74.24 H new ATOM 0 HD13 ILE A 4 9.950 -9.795 -4.188 1.00 74.24 H new ATOM 61 N TYR A 5 6.712 -5.717 -6.314 1.00 0.25 N ATOM 62 CA TYR A 5 6.089 -5.666 -7.631 1.00 11.53 C ATOM 63 C TYR A 5 6.122 -4.248 -8.194 1.00 73.10 C ATOM 64 O TYR A 5 6.174 -4.050 -9.408 1.00 63.31 O ATOM 65 CB TYR A 5 4.644 -6.163 -7.554 1.00 44.34 C ATOM 66 CG TYR A 5 4.526 -7.628 -7.200 1.00 2.32 C ATOM 67 CD1 TYR A 5 5.358 -8.574 -7.785 1.00 60.02 C ATOM 68 CD2 TYR A 5 3.583 -8.065 -6.278 1.00 72.52 C ATOM 69 CE1 TYR A 5 5.253 -9.914 -7.465 1.00 12.43 C ATOM 70 CE2 TYR A 5 3.471 -9.403 -5.950 1.00 45.14 C ATOM 71 CZ TYR A 5 4.308 -10.323 -6.547 1.00 23.03 C ATOM 72 OH TYR A 5 4.201 -11.656 -6.224 1.00 23.44 O ATOM 0 H TYR A 5 6.053 -5.705 -5.535 1.00 0.25 H new ATOM 0 HA TYR A 5 6.655 -6.316 -8.299 1.00 11.53 H new ATOM 0 HB2 TYR A 5 4.105 -5.574 -6.812 1.00 44.34 H new ATOM 0 HB3 TYR A 5 4.157 -5.989 -8.514 1.00 44.34 H new ATOM 0 HD1 TYR A 5 6.100 -8.257 -8.503 1.00 60.02 H new ATOM 0 HD2 TYR A 5 2.926 -7.347 -5.810 1.00 72.52 H new ATOM 0 HE1 TYR A 5 5.907 -10.637 -7.931 1.00 12.43 H new ATOM 0 HE2 TYR A 5 2.733 -9.726 -5.231 1.00 45.14 H new ATOM 0 HH TYR A 5 3.488 -11.776 -5.562 1.00 23.44 H new ATOM 82 N LYS A 6 6.091 -3.263 -7.302 1.00 72.45 N ATOM 83 CA LYS A 6 6.119 -1.863 -7.707 1.00 51.12 C ATOM 84 C LYS A 6 7.398 -1.544 -8.475 1.00 11.02 C ATOM 85 O LYS A 6 7.362 -0.882 -9.512 1.00 32.33 O ATOM 86 CB LYS A 6 6.007 -0.954 -6.481 1.00 43.01 C ATOM 87 CG LYS A 6 4.581 -0.757 -5.998 1.00 30.45 C ATOM 88 CD LYS A 6 3.951 -2.072 -5.569 1.00 61.23 C ATOM 89 CE LYS A 6 2.872 -1.857 -4.519 1.00 24.43 C ATOM 90 NZ LYS A 6 1.796 -2.882 -4.612 1.00 12.04 N ATOM 0 H LYS A 6 6.046 -3.409 -6.294 1.00 72.45 H new ATOM 0 HA LYS A 6 5.268 -1.683 -8.364 1.00 51.12 H new ATOM 0 HB2 LYS A 6 6.601 -1.376 -5.671 1.00 43.01 H new ATOM 0 HB3 LYS A 6 6.438 0.018 -6.719 1.00 43.01 H new ATOM 0 HG2 LYS A 6 4.572 -0.058 -5.161 1.00 30.45 H new ATOM 0 HG3 LYS A 6 3.985 -0.309 -6.793 1.00 30.45 H new ATOM 0 HD2 LYS A 6 3.521 -2.571 -6.437 1.00 61.23 H new ATOM 0 HD3 LYS A 6 4.721 -2.733 -5.171 1.00 61.23 H new ATOM 0 HE2 LYS A 6 3.320 -1.890 -3.526 1.00 24.43 H new ATOM 0 HE3 LYS A 6 2.439 -0.864 -4.641 1.00 24.43 H new ATOM 0 HZ1 LYS A 6 0.874 -2.433 -4.441 1.00 12.04 H new ATOM 0 HZ2 LYS A 6 1.803 -3.308 -5.561 1.00 12.04 H new ATOM 0 HZ3 LYS A 6 1.959 -3.622 -3.900 1.00 12.04 H new ATOM 104 N ALA A 7 8.526 -2.020 -7.959 1.00 65.12 N ATOM 105 CA ALA A 7 9.816 -1.788 -8.598 1.00 72.54 C ATOM 106 C ALA A 7 9.905 -2.518 -9.934 1.00 63.23 C ATOM 107 O ALA A 7 10.791 -2.245 -10.744 1.00 11.53 O ATOM 108 CB ALA A 7 10.947 -2.226 -7.679 1.00 53.32 C ATOM 0 H ALA A 7 8.573 -2.569 -7.100 1.00 65.12 H new ATOM 0 HA ALA A 7 9.912 -0.719 -8.790 1.00 72.54 H new ATOM 0 HB1 ALA A 7 11.904 -2.047 -8.169 1.00 53.32 H new ATOM 0 HB2 ALA A 7 10.903 -1.657 -6.751 1.00 53.32 H new ATOM 0 HB3 ALA A 7 10.846 -3.289 -7.458 1.00 53.32 H new ATOM 114 N ALA A 8 8.983 -3.449 -10.158 1.00 51.40 N ATOM 115 CA ALA A 8 8.957 -4.217 -11.397 1.00 4.34 C ATOM 116 C ALA A 8 8.312 -3.419 -12.524 1.00 41.54 C ATOM 117 O ALA A 8 8.863 -3.317 -13.621 1.00 33.42 O ATOM 118 CB ALA A 8 8.219 -5.530 -11.188 1.00 30.54 C ATOM 0 H ALA A 8 8.244 -3.690 -9.497 1.00 51.40 H new ATOM 0 HA ALA A 8 9.986 -4.433 -11.683 1.00 4.34 H new ATOM 0 HB1 ALA A 8 8.207 -6.093 -12.121 1.00 30.54 H new ATOM 0 HB2 ALA A 8 8.725 -6.113 -10.418 1.00 30.54 H new ATOM 0 HB3 ALA A 8 7.195 -5.326 -10.874 1.00 30.54 H new ATOM 124 N VAL A 9 7.141 -2.853 -12.248 1.00 60.34 N ATOM 125 CA VAL A 9 6.421 -2.064 -13.240 1.00 13.41 C ATOM 126 C VAL A 9 7.215 -0.825 -13.638 1.00 53.41 C ATOM 127 O VAL A 9 7.145 -0.372 -14.780 1.00 11.40 O ATOM 128 CB VAL A 9 5.040 -1.628 -12.715 1.00 73.11 C ATOM 129 CG1 VAL A 9 4.075 -2.804 -12.709 1.00 63.41 C ATOM 130 CG2 VAL A 9 5.165 -1.024 -11.325 1.00 11.32 C ATOM 0 H VAL A 9 6.671 -2.926 -11.346 1.00 60.34 H new ATOM 0 HA VAL A 9 6.285 -2.701 -14.114 1.00 13.41 H new ATOM 0 HB VAL A 9 4.641 -0.865 -13.383 1.00 73.11 H new ATOM 0 HG11 VAL A 9 3.105 -2.477 -12.335 1.00 63.41 H new ATOM 0 HG12 VAL A 9 3.962 -3.187 -13.723 1.00 63.41 H new ATOM 0 HG13 VAL A 9 4.465 -3.592 -12.065 1.00 63.41 H new ATOM 0 HG21 VAL A 9 4.180 -0.722 -10.970 1.00 11.32 H new ATOM 0 HG22 VAL A 9 5.585 -1.764 -10.643 1.00 11.32 H new ATOM 0 HG23 VAL A 9 5.820 -0.153 -11.364 1.00 11.32 H new ATOM 140 N GLU A 10 7.970 -0.282 -12.688 1.00 52.30 N ATOM 141 CA GLU A 10 8.777 0.906 -12.940 1.00 41.05 C ATOM 142 C GLU A 10 9.896 0.602 -13.933 1.00 1.53 C ATOM 143 O GLU A 10 10.420 1.504 -14.586 1.00 65.23 O ATOM 144 CB GLU A 10 9.370 1.434 -11.633 1.00 11.45 C ATOM 145 CG GLU A 10 8.360 2.150 -10.752 1.00 34.45 C ATOM 146 CD GLU A 10 9.013 2.918 -9.619 1.00 63.32 C ATOM 147 OE1 GLU A 10 10.154 2.571 -9.247 1.00 35.31 O ATOM 148 OE2 GLU A 10 8.384 3.866 -9.106 1.00 12.34 O ATOM 0 H GLU A 10 8.040 -0.646 -11.738 1.00 52.30 H new ATOM 0 HA GLU A 10 8.129 1.670 -13.371 1.00 41.05 H new ATOM 0 HB2 GLU A 10 9.799 0.601 -11.076 1.00 11.45 H new ATOM 0 HB3 GLU A 10 10.187 2.118 -11.864 1.00 11.45 H new ATOM 0 HG2 GLU A 10 7.775 2.838 -11.362 1.00 34.45 H new ATOM 0 HG3 GLU A 10 7.664 1.421 -10.338 1.00 34.45 H new ATOM 155 N GLN A 11 10.256 -0.673 -14.038 1.00 53.31 N ATOM 156 CA GLN A 11 11.313 -1.095 -14.949 1.00 51.12 C ATOM 157 C GLN A 11 10.744 -1.435 -16.323 1.00 1.11 C ATOM 158 O GLN A 11 11.489 -1.619 -17.287 1.00 32.54 O ATOM 159 CB GLN A 11 12.055 -2.304 -14.378 1.00 33.43 C ATOM 160 CG GLN A 11 12.660 -2.054 -13.006 1.00 31.42 C ATOM 161 CD GLN A 11 14.176 -2.042 -13.030 1.00 53.41 C ATOM 162 OE1 GLN A 11 14.808 -2.982 -13.511 1.00 23.33 O ATOM 163 NE2 GLN A 11 14.767 -0.972 -12.511 1.00 23.34 N ATOM 0 H GLN A 11 9.832 -1.431 -13.504 1.00 53.31 H new ATOM 0 HA GLN A 11 12.013 -0.267 -15.061 1.00 51.12 H new ATOM 0 HB2 GLN A 11 11.366 -3.146 -14.314 1.00 33.43 H new ATOM 0 HB3 GLN A 11 12.848 -2.593 -15.068 1.00 33.43 H new ATOM 0 HG2 GLN A 11 12.299 -1.100 -12.622 1.00 31.42 H new ATOM 0 HG3 GLN A 11 12.317 -2.825 -12.316 1.00 31.42 H new ATOM 0 HE21 GLN A 11 14.203 -0.216 -12.123 1.00 23.34 H new ATOM 0 HE22 GLN A 11 15.785 -0.906 -12.501 1.00 23.34 H new ATOM 172 N LEU A 12 9.421 -1.517 -16.406 1.00 12.31 N ATOM 173 CA LEU A 12 8.751 -1.835 -17.662 1.00 43.03 C ATOM 174 C LEU A 12 8.923 -0.705 -18.672 1.00 52.13 C ATOM 175 O LEU A 12 9.418 0.372 -18.338 1.00 61.00 O ATOM 176 CB LEU A 12 7.264 -2.095 -17.419 1.00 33.14 C ATOM 177 CG LEU A 12 6.924 -3.356 -16.623 1.00 3.12 C ATOM 178 CD1 LEU A 12 5.421 -3.472 -16.422 1.00 63.24 C ATOM 179 CD2 LEU A 12 7.468 -4.592 -17.325 1.00 11.04 C ATOM 0 H LEU A 12 8.791 -1.368 -15.618 1.00 12.31 H new ATOM 0 HA LEU A 12 9.208 -2.736 -18.071 1.00 43.03 H new ATOM 0 HB2 LEU A 12 6.846 -1.235 -16.895 1.00 33.14 H new ATOM 0 HB3 LEU A 12 6.763 -2.154 -18.385 1.00 33.14 H new ATOM 0 HG LEU A 12 7.395 -3.282 -15.643 1.00 3.12 H new ATOM 0 HD11 LEU A 12 5.199 -4.375 -15.854 1.00 63.24 H new ATOM 0 HD12 LEU A 12 5.059 -2.601 -15.876 1.00 63.24 H new ATOM 0 HD13 LEU A 12 4.927 -3.523 -17.392 1.00 63.24 H new ATOM 0 HD21 LEU A 12 7.217 -5.480 -16.745 1.00 11.04 H new ATOM 0 HD22 LEU A 12 7.026 -4.670 -18.318 1.00 11.04 H new ATOM 0 HD23 LEU A 12 8.551 -4.512 -17.415 1.00 11.04 H new ATOM 191 N THR A 13 8.508 -0.956 -19.910 1.00 60.22 N ATOM 192 CA THR A 13 8.614 0.040 -20.969 1.00 25.31 C ATOM 193 C THR A 13 7.320 0.832 -21.111 1.00 31.12 C ATOM 194 O THR A 13 6.289 0.459 -20.552 1.00 23.52 O ATOM 195 CB THR A 13 8.955 -0.613 -22.322 1.00 74.00 C ATOM 196 OG1 THR A 13 9.168 0.398 -23.314 1.00 23.35 O ATOM 197 CG2 THR A 13 7.837 -1.542 -22.771 1.00 32.34 C ATOM 0 H THR A 13 8.095 -1.841 -20.204 1.00 60.22 H new ATOM 0 HA THR A 13 9.421 0.716 -20.687 1.00 25.31 H new ATOM 0 HB THR A 13 9.866 -1.199 -22.199 1.00 74.00 H new ATOM 0 HG1 THR A 13 9.386 -0.025 -24.171 1.00 23.35 H new ATOM 0 HG21 THR A 13 8.100 -1.992 -23.729 1.00 32.34 H new ATOM 0 HG22 THR A 13 7.696 -2.327 -22.028 1.00 32.34 H new ATOM 0 HG23 THR A 13 6.913 -0.974 -22.879 1.00 32.34 H new ATOM 205 N GLU A 14 7.381 1.927 -21.863 1.00 34.44 N ATOM 206 CA GLU A 14 6.211 2.771 -22.077 1.00 63.01 C ATOM 207 C GLU A 14 5.068 1.971 -22.695 1.00 23.32 C ATOM 208 O GLU A 14 3.896 2.261 -22.459 1.00 40.33 O ATOM 209 CB GLU A 14 6.567 3.953 -22.981 1.00 3.31 C ATOM 210 CG GLU A 14 7.621 4.875 -22.391 1.00 25.33 C ATOM 211 CD GLU A 14 7.058 5.805 -21.334 1.00 53.13 C ATOM 212 OE1 GLU A 14 6.845 5.347 -20.192 1.00 41.42 O ATOM 213 OE2 GLU A 14 6.829 6.992 -21.650 1.00 64.44 O ATOM 0 H GLU A 14 8.227 2.250 -22.333 1.00 34.44 H new ATOM 0 HA GLU A 14 5.885 3.148 -21.108 1.00 63.01 H new ATOM 0 HB2 GLU A 14 6.924 3.573 -23.938 1.00 3.31 H new ATOM 0 HB3 GLU A 14 5.664 4.529 -23.183 1.00 3.31 H new ATOM 0 HG2 GLU A 14 8.419 4.275 -21.954 1.00 25.33 H new ATOM 0 HG3 GLU A 14 8.068 5.467 -23.189 1.00 25.33 H new ATOM 220 N GLU A 15 5.420 0.962 -23.486 1.00 52.25 N ATOM 221 CA GLU A 15 4.423 0.121 -24.139 1.00 44.22 C ATOM 222 C GLU A 15 3.559 -0.599 -23.108 1.00 1.52 C ATOM 223 O GLU A 15 2.331 -0.568 -23.183 1.00 1.52 O ATOM 224 CB GLU A 15 5.105 -0.901 -25.052 1.00 11.42 C ATOM 225 CG GLU A 15 6.012 -0.273 -26.097 1.00 73.43 C ATOM 226 CD GLU A 15 6.675 -1.305 -26.989 1.00 22.23 C ATOM 227 OE1 GLU A 15 5.958 -1.962 -27.772 1.00 23.42 O ATOM 228 OE2 GLU A 15 7.912 -1.455 -26.903 1.00 1.12 O ATOM 0 H GLU A 15 6.386 0.707 -23.690 1.00 52.25 H new ATOM 0 HA GLU A 15 3.780 0.764 -24.741 1.00 44.22 H new ATOM 0 HB2 GLU A 15 5.690 -1.588 -24.441 1.00 11.42 H new ATOM 0 HB3 GLU A 15 4.341 -1.493 -25.555 1.00 11.42 H new ATOM 0 HG2 GLU A 15 5.431 0.414 -26.712 1.00 73.43 H new ATOM 0 HG3 GLU A 15 6.780 0.318 -25.598 1.00 73.43 H new ATOM 235 N GLN A 16 4.210 -1.246 -22.147 1.00 4.21 N ATOM 236 CA GLN A 16 3.502 -1.974 -21.101 1.00 74.23 C ATOM 237 C GLN A 16 2.633 -1.032 -20.275 1.00 32.13 C ATOM 238 O GLN A 16 1.463 -1.315 -20.017 1.00 15.20 O ATOM 239 CB GLN A 16 4.495 -2.700 -20.193 1.00 5.34 C ATOM 240 CG GLN A 16 5.427 -3.642 -20.939 1.00 14.42 C ATOM 241 CD GLN A 16 4.765 -4.960 -21.289 1.00 42.11 C ATOM 242 OE1 GLN A 16 4.444 -5.217 -22.449 1.00 74.44 O ATOM 243 NE2 GLN A 16 4.559 -5.804 -20.285 1.00 75.00 N ATOM 0 H GLN A 16 5.227 -1.281 -22.071 1.00 4.21 H new ATOM 0 HA GLN A 16 2.855 -2.709 -21.580 1.00 74.23 H new ATOM 0 HB2 GLN A 16 5.091 -1.961 -19.657 1.00 5.34 H new ATOM 0 HB3 GLN A 16 3.942 -3.267 -19.444 1.00 5.34 H new ATOM 0 HG2 GLN A 16 5.771 -3.158 -21.853 1.00 14.42 H new ATOM 0 HG3 GLN A 16 6.309 -3.834 -20.328 1.00 14.42 H new ATOM 0 HE21 GLN A 16 4.841 -5.549 -19.339 1.00 75.00 H new ATOM 0 HE22 GLN A 16 4.118 -6.707 -20.460 1.00 75.00 H new ATOM 252 N LYS A 17 3.213 0.089 -19.861 1.00 11.42 N ATOM 253 CA LYS A 17 2.492 1.075 -19.064 1.00 24.15 C ATOM 254 C LYS A 17 1.330 1.668 -19.853 1.00 13.33 C ATOM 255 O LYS A 17 0.286 1.993 -19.288 1.00 42.41 O ATOM 256 CB LYS A 17 3.440 2.190 -18.615 1.00 70.22 C ATOM 257 CG LYS A 17 4.611 1.695 -17.783 1.00 53.24 C ATOM 258 CD LYS A 17 4.149 1.136 -16.448 1.00 1.31 C ATOM 259 CE LYS A 17 4.692 1.952 -15.285 1.00 0.13 C ATOM 260 NZ LYS A 17 3.743 1.982 -14.137 1.00 62.33 N ATOM 0 H LYS A 17 4.181 0.338 -20.064 1.00 11.42 H new ATOM 0 HA LYS A 17 2.091 0.571 -18.184 1.00 24.15 H new ATOM 0 HB2 LYS A 17 3.823 2.706 -19.495 1.00 70.22 H new ATOM 0 HB3 LYS A 17 2.878 2.922 -18.036 1.00 70.22 H new ATOM 0 HG2 LYS A 17 5.150 0.925 -18.334 1.00 53.24 H new ATOM 0 HG3 LYS A 17 5.310 2.514 -17.613 1.00 53.24 H new ATOM 0 HD2 LYS A 17 3.060 1.130 -16.412 1.00 1.31 H new ATOM 0 HD3 LYS A 17 4.477 0.101 -16.352 1.00 1.31 H new ATOM 0 HE2 LYS A 17 5.643 1.531 -14.959 1.00 0.13 H new ATOM 0 HE3 LYS A 17 4.892 2.971 -15.618 1.00 0.13 H new ATOM 0 HZ1 LYS A 17 4.271 2.138 -13.254 1.00 62.33 H new ATOM 0 HZ2 LYS A 17 3.059 2.753 -14.272 1.00 62.33 H new ATOM 0 HZ3 LYS A 17 3.236 1.075 -14.082 1.00 62.33 H new ATOM 274 N ASN A 18 1.517 1.805 -21.161 1.00 62.14 N ATOM 275 CA ASN A 18 0.483 2.358 -22.028 1.00 11.30 C ATOM 276 C ASN A 18 -0.720 1.422 -22.106 1.00 5.51 C ATOM 277 O ASN A 18 -1.866 1.869 -22.107 1.00 32.14 O ATOM 278 CB ASN A 18 1.042 2.606 -23.430 1.00 42.04 C ATOM 279 CG ASN A 18 1.453 4.051 -23.642 1.00 75.54 C ATOM 280 OD1 ASN A 18 0.773 4.973 -23.191 1.00 65.10 O ATOM 281 ND2 ASN A 18 2.569 4.253 -24.332 1.00 52.15 N ATOM 0 H ASN A 18 2.375 1.541 -21.644 1.00 62.14 H new ATOM 0 HA ASN A 18 0.156 3.306 -21.602 1.00 11.30 H new ATOM 0 HB2 ASN A 18 1.903 1.958 -23.595 1.00 42.04 H new ATOM 0 HB3 ASN A 18 0.291 2.332 -24.171 1.00 42.04 H new ATOM 0 HD21 ASN A 18 2.895 5.203 -24.508 1.00 52.15 H new ATOM 0 HD22 ASN A 18 3.100 3.458 -24.687 1.00 52.15 H new ATOM 288 N GLU A 19 -0.448 0.123 -22.171 1.00 21.22 N ATOM 289 CA GLU A 19 -1.508 -0.875 -22.249 1.00 61.51 C ATOM 290 C GLU A 19 -2.294 -0.938 -20.943 1.00 12.23 C ATOM 291 O GLU A 19 -3.517 -1.084 -20.947 1.00 43.42 O ATOM 292 CB GLU A 19 -0.920 -2.251 -22.570 1.00 35.53 C ATOM 293 CG GLU A 19 -0.328 -2.350 -23.965 1.00 71.24 C ATOM 294 CD GLU A 19 0.546 -3.577 -24.143 1.00 14.21 C ATOM 295 OE1 GLU A 19 0.966 -4.158 -23.120 1.00 41.24 O ATOM 296 OE2 GLU A 19 0.809 -3.955 -25.303 1.00 60.42 O ATOM 0 H GLU A 19 0.496 -0.263 -22.171 1.00 21.22 H new ATOM 0 HA GLU A 19 -2.189 -0.583 -23.048 1.00 61.51 H new ATOM 0 HB2 GLU A 19 -0.146 -2.486 -21.839 1.00 35.53 H new ATOM 0 HB3 GLU A 19 -1.700 -3.004 -22.461 1.00 35.53 H new ATOM 0 HG2 GLU A 19 -1.135 -2.374 -24.697 1.00 71.24 H new ATOM 0 HG3 GLU A 19 0.261 -1.456 -24.170 1.00 71.24 H new ATOM 303 N PHE A 20 -1.583 -0.827 -19.825 1.00 53.14 N ATOM 304 CA PHE A 20 -2.213 -0.872 -18.511 1.00 12.01 C ATOM 305 C PHE A 20 -3.128 0.332 -18.305 1.00 33.52 C ATOM 306 O PHE A 20 -4.140 0.245 -17.608 1.00 41.23 O ATOM 307 CB PHE A 20 -1.148 -0.911 -17.413 1.00 34.22 C ATOM 308 CG PHE A 20 -0.286 -2.140 -17.458 1.00 32.35 C ATOM 309 CD1 PHE A 20 -0.842 -3.383 -17.716 1.00 64.11 C ATOM 310 CD2 PHE A 20 1.080 -2.053 -17.242 1.00 14.24 C ATOM 311 CE1 PHE A 20 -0.050 -4.516 -17.757 1.00 14.41 C ATOM 312 CE2 PHE A 20 1.876 -3.182 -17.282 1.00 11.13 C ATOM 313 CZ PHE A 20 1.310 -4.415 -17.541 1.00 0.22 C ATOM 0 H PHE A 20 -0.571 -0.705 -19.803 1.00 53.14 H new ATOM 0 HA PHE A 20 -2.816 -1.778 -18.455 1.00 12.01 H new ATOM 0 HB2 PHE A 20 -0.514 -0.029 -17.501 1.00 34.22 H new ATOM 0 HB3 PHE A 20 -1.638 -0.856 -16.441 1.00 34.22 H new ATOM 0 HD1 PHE A 20 -1.905 -3.468 -17.887 1.00 64.11 H new ATOM 0 HD2 PHE A 20 1.528 -1.091 -17.040 1.00 14.24 H new ATOM 0 HE1 PHE A 20 -0.495 -5.479 -17.958 1.00 14.41 H new ATOM 0 HE2 PHE A 20 2.939 -3.100 -17.111 1.00 11.13 H new ATOM 0 HZ PHE A 20 1.930 -5.299 -17.575 1.00 0.22 H new ATOM 323 N LYS A 21 -2.765 1.455 -18.915 1.00 73.53 N ATOM 324 CA LYS A 21 -3.552 2.677 -18.801 1.00 30.21 C ATOM 325 C LYS A 21 -4.737 2.653 -19.761 1.00 33.23 C ATOM 326 O LYS A 21 -5.810 3.171 -19.451 1.00 25.03 O ATOM 327 CB LYS A 21 -2.677 3.900 -19.085 1.00 62.41 C ATOM 328 CG LYS A 21 -3.211 5.185 -18.477 1.00 32.31 C ATOM 329 CD LYS A 21 -2.111 6.217 -18.299 1.00 4.13 C ATOM 330 CE LYS A 21 -1.685 6.814 -19.631 1.00 54.24 C ATOM 331 NZ LYS A 21 -0.830 8.019 -19.451 1.00 44.44 N ATOM 0 H LYS A 21 -1.930 1.544 -19.494 1.00 73.53 H new ATOM 0 HA LYS A 21 -3.934 2.739 -17.782 1.00 30.21 H new ATOM 0 HB2 LYS A 21 -1.674 3.716 -18.700 1.00 62.41 H new ATOM 0 HB3 LYS A 21 -2.586 4.029 -20.164 1.00 62.41 H new ATOM 0 HG2 LYS A 21 -3.994 5.593 -19.116 1.00 32.31 H new ATOM 0 HG3 LYS A 21 -3.668 4.969 -17.511 1.00 32.31 H new ATOM 0 HD2 LYS A 21 -2.459 7.011 -17.638 1.00 4.13 H new ATOM 0 HD3 LYS A 21 -1.251 5.754 -17.815 1.00 4.13 H new ATOM 0 HE2 LYS A 21 -1.141 6.065 -20.207 1.00 54.24 H new ATOM 0 HE3 LYS A 21 -2.570 7.080 -20.209 1.00 54.24 H new ATOM 0 HZ1 LYS A 21 -0.561 8.396 -20.382 1.00 44.44 H new ATOM 0 HZ2 LYS A 21 -1.358 8.743 -18.924 1.00 44.44 H new ATOM 0 HZ3 LYS A 21 0.027 7.761 -18.921 1.00 44.44 H new ATOM 345 N ALA A 22 -4.537 2.047 -20.926 1.00 62.33 N ATOM 346 CA ALA A 22 -5.590 1.952 -21.929 1.00 52.24 C ATOM 347 C ALA A 22 -6.654 0.942 -21.514 1.00 73.25 C ATOM 348 O ALA A 22 -7.831 1.281 -21.391 1.00 22.22 O ATOM 349 CB ALA A 22 -5.000 1.576 -23.280 1.00 73.34 C ATOM 0 H ALA A 22 -3.655 1.614 -21.199 1.00 62.33 H new ATOM 0 HA ALA A 22 -6.067 2.929 -22.013 1.00 52.24 H new ATOM 0 HB1 ALA A 22 -5.798 1.509 -24.019 1.00 73.34 H new ATOM 0 HB2 ALA A 22 -4.283 2.337 -23.588 1.00 73.34 H new ATOM 0 HB3 ALA A 22 -4.496 0.613 -23.201 1.00 73.34 H new ATOM 355 N ALA A 23 -6.233 -0.301 -21.302 1.00 10.54 N ATOM 356 CA ALA A 23 -7.150 -1.360 -20.899 1.00 50.24 C ATOM 357 C ALA A 23 -7.879 -0.995 -19.611 1.00 11.32 C ATOM 358 O ALA A 23 -8.973 -1.492 -19.343 1.00 11.15 O ATOM 359 CB ALA A 23 -6.399 -2.672 -20.730 1.00 3.15 C ATOM 0 H ALA A 23 -5.263 -0.599 -21.403 1.00 10.54 H new ATOM 0 HA ALA A 23 -7.896 -1.480 -21.685 1.00 50.24 H new ATOM 0 HB1 ALA A 23 -7.096 -3.454 -20.429 1.00 3.15 H new ATOM 0 HB2 ALA A 23 -5.931 -2.947 -21.675 1.00 3.15 H new ATOM 0 HB3 ALA A 23 -5.631 -2.556 -19.965 1.00 3.15 H new ATOM 365 N PHE A 24 -7.266 -0.124 -18.816 1.00 11.11 N ATOM 366 CA PHE A 24 -7.857 0.306 -17.554 1.00 5.31 C ATOM 367 C PHE A 24 -8.980 1.311 -17.793 1.00 63.04 C ATOM 368 O PHE A 24 -9.930 1.393 -17.015 1.00 51.11 O ATOM 369 CB PHE A 24 -6.787 0.925 -16.651 1.00 54.20 C ATOM 370 CG PHE A 24 -7.341 1.520 -15.387 1.00 64.35 C ATOM 371 CD1 PHE A 24 -7.561 0.727 -14.272 1.00 55.43 C ATOM 372 CD2 PHE A 24 -7.639 2.871 -15.315 1.00 33.44 C ATOM 373 CE1 PHE A 24 -8.071 1.272 -13.109 1.00 32.12 C ATOM 374 CE2 PHE A 24 -8.149 3.421 -14.154 1.00 21.15 C ATOM 375 CZ PHE A 24 -8.364 2.620 -13.049 1.00 11.41 C ATOM 0 H PHE A 24 -6.361 0.298 -19.023 1.00 11.11 H new ATOM 0 HA PHE A 24 -8.277 -0.571 -17.061 1.00 5.31 H new ATOM 0 HB2 PHE A 24 -6.054 0.161 -16.393 1.00 54.20 H new ATOM 0 HB3 PHE A 24 -6.258 1.699 -17.206 1.00 54.20 H new ATOM 0 HD1 PHE A 24 -7.332 -0.328 -14.312 1.00 55.43 H new ATOM 0 HD2 PHE A 24 -7.471 3.501 -16.176 1.00 33.44 H new ATOM 0 HE1 PHE A 24 -8.240 0.644 -12.247 1.00 32.12 H new ATOM 0 HE2 PHE A 24 -8.379 4.475 -14.111 1.00 21.15 H new ATOM 0 HZ PHE A 24 -8.761 3.047 -12.140 1.00 11.41 H new ATOM 385 N ASP A 25 -8.863 2.073 -18.875 1.00 5.41 N ATOM 386 CA ASP A 25 -9.867 3.073 -19.218 1.00 75.35 C ATOM 387 C ASP A 25 -11.194 2.409 -19.576 1.00 44.14 C ATOM 388 O ASP A 25 -12.262 2.889 -19.195 1.00 24.33 O ATOM 389 CB ASP A 25 -9.383 3.934 -20.386 1.00 3.24 C ATOM 390 CG ASP A 25 -10.143 5.241 -20.495 1.00 44.50 C ATOM 391 OD1 ASP A 25 -11.167 5.392 -19.797 1.00 2.11 O ATOM 392 OD2 ASP A 25 -9.714 6.114 -21.280 1.00 23.35 O ATOM 0 H ASP A 25 -8.083 2.017 -19.530 1.00 5.41 H new ATOM 0 HA ASP A 25 -10.022 3.710 -18.347 1.00 75.35 H new ATOM 0 HB2 ASP A 25 -8.321 4.144 -20.263 1.00 3.24 H new ATOM 0 HB3 ASP A 25 -9.492 3.375 -21.315 1.00 3.24 H new ATOM 397 N ILE A 26 -11.117 1.305 -20.312 1.00 14.12 N ATOM 398 CA ILE A 26 -12.312 0.576 -20.721 1.00 4.41 C ATOM 399 C ILE A 26 -13.029 -0.023 -19.516 1.00 72.45 C ATOM 400 O ILE A 26 -14.259 -0.054 -19.465 1.00 60.40 O ATOM 401 CB ILE A 26 -11.971 -0.550 -21.715 1.00 10.14 C ATOM 402 CG1 ILE A 26 -11.292 0.026 -22.959 1.00 54.21 C ATOM 403 CG2 ILE A 26 -13.228 -1.317 -22.097 1.00 51.21 C ATOM 404 CD1 ILE A 26 -9.791 -0.157 -22.968 1.00 1.31 C ATOM 0 H ILE A 26 -10.241 0.896 -20.637 1.00 14.12 H new ATOM 0 HA ILE A 26 -12.969 1.295 -21.211 1.00 4.41 H new ATOM 0 HB ILE A 26 -11.279 -1.242 -21.235 1.00 10.14 H new ATOM 0 HG12 ILE A 26 -11.713 -0.449 -23.845 1.00 54.21 H new ATOM 0 HG13 ILE A 26 -11.521 1.090 -23.028 1.00 54.21 H new ATOM 0 HG21 ILE A 26 -12.971 -2.109 -22.800 1.00 51.21 H new ATOM 0 HG22 ILE A 26 -13.673 -1.755 -21.203 1.00 51.21 H new ATOM 0 HG23 ILE A 26 -13.942 -0.637 -22.562 1.00 51.21 H new ATOM 0 HD11 ILE A 26 -9.377 0.275 -23.879 1.00 1.31 H new ATOM 0 HD12 ILE A 26 -9.358 0.342 -22.101 1.00 1.31 H new ATOM 0 HD13 ILE A 26 -9.554 -1.220 -22.931 1.00 1.31 H new ATOM 416 N PHE A 27 -12.253 -0.498 -18.548 1.00 2.31 N ATOM 417 CA PHE A 27 -12.814 -1.096 -17.342 1.00 60.12 C ATOM 418 C PHE A 27 -13.627 -0.073 -16.555 1.00 11.31 C ATOM 419 O PHE A 27 -14.788 -0.309 -16.222 1.00 35.11 O ATOM 420 CB PHE A 27 -11.698 -1.664 -16.462 1.00 53.23 C ATOM 421 CG PHE A 27 -11.359 -3.094 -16.773 1.00 11.34 C ATOM 422 CD1 PHE A 27 -10.936 -3.460 -18.040 1.00 51.22 C ATOM 423 CD2 PHE A 27 -11.463 -4.072 -15.797 1.00 3.44 C ATOM 424 CE1 PHE A 27 -10.624 -4.775 -18.328 1.00 52.04 C ATOM 425 CE2 PHE A 27 -11.152 -5.389 -16.079 1.00 3.52 C ATOM 426 CZ PHE A 27 -10.731 -5.740 -17.346 1.00 61.33 C ATOM 0 H PHE A 27 -11.234 -0.481 -18.575 1.00 2.31 H new ATOM 0 HA PHE A 27 -13.478 -1.907 -17.643 1.00 60.12 H new ATOM 0 HB2 PHE A 27 -10.804 -1.052 -16.583 1.00 53.23 H new ATOM 0 HB3 PHE A 27 -11.997 -1.589 -15.416 1.00 53.23 H new ATOM 0 HD1 PHE A 27 -10.849 -2.709 -18.812 1.00 51.22 H new ATOM 0 HD2 PHE A 27 -11.791 -3.802 -14.804 1.00 3.44 H new ATOM 0 HE1 PHE A 27 -10.297 -5.048 -19.320 1.00 52.04 H new ATOM 0 HE2 PHE A 27 -11.238 -6.142 -15.310 1.00 3.52 H new ATOM 0 HZ PHE A 27 -10.486 -6.768 -17.569 1.00 61.33 H new ATOM 436 N VAL A 28 -13.008 1.066 -16.260 1.00 23.12 N ATOM 437 CA VAL A 28 -13.673 2.126 -15.512 1.00 43.41 C ATOM 438 C VAL A 28 -14.495 3.017 -16.436 1.00 14.40 C ATOM 439 O VAL A 28 -15.066 4.019 -16.004 1.00 14.53 O ATOM 440 CB VAL A 28 -12.657 2.997 -14.748 1.00 62.54 C ATOM 441 CG1 VAL A 28 -11.786 2.134 -13.847 1.00 42.35 C ATOM 442 CG2 VAL A 28 -11.804 3.797 -15.721 1.00 60.10 C ATOM 0 H VAL A 28 -12.047 1.278 -16.528 1.00 23.12 H new ATOM 0 HA VAL A 28 -14.335 1.640 -14.795 1.00 43.41 H new ATOM 0 HB VAL A 28 -13.205 3.699 -14.119 1.00 62.54 H new ATOM 0 HG11 VAL A 28 -11.074 2.766 -13.315 1.00 42.35 H new ATOM 0 HG12 VAL A 28 -12.414 1.610 -13.127 1.00 42.35 H new ATOM 0 HG13 VAL A 28 -11.244 1.407 -14.452 1.00 42.35 H new ATOM 0 HG21 VAL A 28 -11.092 4.407 -15.165 1.00 60.10 H new ATOM 0 HG22 VAL A 28 -11.263 3.115 -16.377 1.00 60.10 H new ATOM 0 HG23 VAL A 28 -12.445 4.444 -16.320 1.00 60.10 H new ATOM 452 N LEU A 29 -14.553 2.646 -17.710 1.00 45.01 N ATOM 453 CA LEU A 29 -15.306 3.411 -18.697 1.00 54.40 C ATOM 454 C LEU A 29 -16.796 3.406 -18.368 1.00 61.14 C ATOM 455 O LEU A 29 -17.539 4.289 -18.794 1.00 72.11 O ATOM 456 CB LEU A 29 -15.079 2.839 -20.097 1.00 54.03 C ATOM 457 CG LEU A 29 -16.260 2.090 -20.716 1.00 13.21 C ATOM 458 CD1 LEU A 29 -17.196 3.059 -21.422 1.00 10.01 C ATOM 459 CD2 LEU A 29 -15.768 1.022 -21.681 1.00 42.15 C ATOM 0 H LEU A 29 -14.087 1.819 -18.084 1.00 45.01 H new ATOM 0 HA LEU A 29 -14.950 4.441 -18.671 1.00 54.40 H new ATOM 0 HB2 LEU A 29 -14.805 3.658 -20.762 1.00 54.03 H new ATOM 0 HB3 LEU A 29 -14.226 2.162 -20.057 1.00 54.03 H new ATOM 0 HG LEU A 29 -16.814 1.600 -19.915 1.00 13.21 H new ATOM 0 HD11 LEU A 29 -18.030 2.508 -21.856 1.00 10.01 H new ATOM 0 HD12 LEU A 29 -17.576 3.786 -20.704 1.00 10.01 H new ATOM 0 HD13 LEU A 29 -16.654 3.578 -22.212 1.00 10.01 H new ATOM 0 HD21 LEU A 29 -16.622 0.499 -22.112 1.00 42.15 H new ATOM 0 HD22 LEU A 29 -15.190 1.490 -22.478 1.00 42.15 H new ATOM 0 HD23 LEU A 29 -15.139 0.310 -21.146 1.00 42.15 H new ATOM 471 N GLY A 30 -17.225 2.405 -17.606 1.00 21.24 N ATOM 472 CA GLY A 30 -18.623 2.304 -17.231 1.00 13.32 C ATOM 473 C GLY A 30 -18.919 2.981 -15.907 1.00 41.21 C ATOM 474 O GLY A 30 -20.053 3.383 -15.647 1.00 64.13 O ATOM 0 H GLY A 30 -16.629 1.662 -17.242 1.00 21.24 H new ATOM 0 HA2 GLY A 30 -19.238 2.753 -18.011 1.00 13.32 H new ATOM 0 HA3 GLY A 30 -18.904 1.253 -17.169 1.00 13.32 H new ATOM 478 N ALA A 31 -17.897 3.106 -15.067 1.00 44.41 N ATOM 479 CA ALA A 31 -18.052 3.739 -13.763 1.00 54.34 C ATOM 480 C ALA A 31 -18.198 5.251 -13.901 1.00 13.00 C ATOM 481 O ALA A 31 -17.998 5.807 -14.980 1.00 60.23 O ATOM 482 CB ALA A 31 -16.870 3.401 -12.868 1.00 30.44 C ATOM 0 H ALA A 31 -16.952 2.777 -15.266 1.00 44.41 H new ATOM 0 HA ALA A 31 -18.962 3.352 -13.305 1.00 54.34 H new ATOM 0 HB1 ALA A 31 -16.999 3.881 -11.898 1.00 30.44 H new ATOM 0 HB2 ALA A 31 -16.812 2.321 -12.734 1.00 30.44 H new ATOM 0 HB3 ALA A 31 -15.950 3.759 -13.330 1.00 30.44 H new ATOM 488 N GLU A 32 -18.549 5.910 -12.801 1.00 30.32 N ATOM 489 CA GLU A 32 -18.723 7.357 -12.801 1.00 11.51 C ATOM 490 C GLU A 32 -17.572 8.044 -12.071 1.00 32.12 C ATOM 491 O GLU A 32 -17.311 9.229 -12.277 1.00 51.22 O ATOM 492 CB GLU A 32 -20.054 7.734 -12.146 1.00 23.53 C ATOM 493 CG GLU A 32 -20.365 9.219 -12.210 1.00 14.20 C ATOM 494 CD GLU A 32 -21.695 9.565 -11.569 1.00 34.44 C ATOM 495 OE1 GLU A 32 -22.694 8.878 -11.870 1.00 14.15 O ATOM 496 OE2 GLU A 32 -21.737 10.521 -10.767 1.00 35.34 O ATOM 0 H GLU A 32 -18.718 5.465 -11.899 1.00 30.32 H new ATOM 0 HA GLU A 32 -18.727 7.696 -13.837 1.00 11.51 H new ATOM 0 HB2 GLU A 32 -20.858 7.182 -12.633 1.00 23.53 H new ATOM 0 HB3 GLU A 32 -20.038 7.420 -11.102 1.00 23.53 H new ATOM 0 HG2 GLU A 32 -19.570 9.775 -11.712 1.00 14.20 H new ATOM 0 HG3 GLU A 32 -20.374 9.540 -13.252 1.00 14.20 H new ATOM 503 N ASP A 33 -16.888 7.291 -11.217 1.00 33.43 N ATOM 504 CA ASP A 33 -15.765 7.825 -10.456 1.00 20.03 C ATOM 505 C ASP A 33 -14.442 7.280 -10.985 1.00 1.31 C ATOM 506 O ASP A 33 -13.438 7.262 -10.275 1.00 3.55 O ATOM 507 CB ASP A 33 -15.916 7.481 -8.973 1.00 61.11 C ATOM 508 CG ASP A 33 -16.493 6.096 -8.756 1.00 63.31 C ATOM 509 OD1 ASP A 33 -16.076 5.160 -9.472 1.00 15.52 O ATOM 510 OD2 ASP A 33 -17.360 5.947 -7.870 1.00 63.30 O ATOM 0 H ASP A 33 -17.092 6.308 -11.034 1.00 33.43 H new ATOM 0 HA ASP A 33 -15.763 8.909 -10.571 1.00 20.03 H new ATOM 0 HB2 ASP A 33 -14.943 7.546 -8.487 1.00 61.11 H new ATOM 0 HB3 ASP A 33 -16.561 8.219 -8.496 1.00 61.11 H new ATOM 515 N GLY A 34 -14.450 6.835 -12.238 1.00 4.21 N ATOM 516 CA GLY A 34 -13.245 6.295 -12.840 1.00 71.35 C ATOM 517 C GLY A 34 -12.601 5.221 -11.986 1.00 70.02 C ATOM 518 O GLY A 34 -11.378 5.180 -11.846 1.00 11.41 O ATOM 0 H GLY A 34 -15.269 6.839 -12.846 1.00 4.21 H new ATOM 0 HA2 GLY A 34 -13.486 5.880 -13.819 1.00 71.35 H new ATOM 0 HA3 GLY A 34 -12.531 7.102 -13.003 1.00 71.35 H new ATOM 522 N CYS A 35 -13.424 4.351 -11.413 1.00 34.42 N ATOM 523 CA CYS A 35 -12.928 3.273 -10.565 1.00 21.51 C ATOM 524 C CYS A 35 -13.710 1.986 -10.807 1.00 74.01 C ATOM 525 O CYS A 35 -14.685 1.973 -11.560 1.00 1.02 O ATOM 526 CB CYS A 35 -13.021 3.671 -9.091 1.00 60.42 C ATOM 527 SG CYS A 35 -11.922 5.028 -8.622 1.00 54.15 S ATOM 0 H CYS A 35 -14.438 4.371 -11.520 1.00 34.42 H new ATOM 0 HA CYS A 35 -11.883 3.095 -10.821 1.00 21.51 H new ATOM 0 HB2 CYS A 35 -14.049 3.956 -8.867 1.00 60.42 H new ATOM 0 HB3 CYS A 35 -12.790 2.801 -8.476 1.00 60.42 H new ATOM 0 HG CYS A 35 -12.324 6.127 -9.187 1.00 54.15 H new ATOM 533 N ILE A 36 -13.276 0.906 -10.166 1.00 14.10 N ATOM 534 CA ILE A 36 -13.936 -0.385 -10.312 1.00 70.45 C ATOM 535 C ILE A 36 -14.314 -0.967 -8.954 1.00 44.03 C ATOM 536 O ILE A 36 -13.455 -1.177 -8.097 1.00 74.13 O ATOM 537 CB ILE A 36 -13.042 -1.393 -11.059 1.00 41.21 C ATOM 538 CG1 ILE A 36 -12.687 -0.861 -12.449 1.00 55.23 C ATOM 539 CG2 ILE A 36 -13.737 -2.742 -11.164 1.00 10.03 C ATOM 540 CD1 ILE A 36 -11.241 -1.084 -12.831 1.00 2.42 C ATOM 0 H ILE A 36 -12.470 0.900 -9.541 1.00 14.10 H new ATOM 0 HA ILE A 36 -14.841 -0.212 -10.895 1.00 70.45 H new ATOM 0 HB ILE A 36 -12.119 -1.525 -10.494 1.00 41.21 H new ATOM 0 HG12 ILE A 36 -13.328 -1.342 -13.188 1.00 55.23 H new ATOM 0 HG13 ILE A 36 -12.904 0.207 -12.487 1.00 55.23 H new ATOM 0 HG21 ILE A 36 -13.092 -3.443 -11.694 1.00 10.03 H new ATOM 0 HG22 ILE A 36 -13.943 -3.124 -10.164 1.00 10.03 H new ATOM 0 HG23 ILE A 36 -14.674 -2.627 -11.709 1.00 10.03 H new ATOM 0 HD11 ILE A 36 -11.062 -0.682 -13.828 1.00 2.42 H new ATOM 0 HD12 ILE A 36 -10.593 -0.579 -12.114 1.00 2.42 H new ATOM 0 HD13 ILE A 36 -11.024 -2.152 -12.826 1.00 2.42 H new ATOM 552 N SER A 37 -15.603 -1.227 -8.766 1.00 15.21 N ATOM 553 CA SER A 37 -16.096 -1.783 -7.511 1.00 1.31 C ATOM 554 C SER A 37 -16.071 -3.308 -7.546 1.00 12.23 C ATOM 555 O SER A 37 -16.345 -3.922 -8.577 1.00 64.33 O ATOM 556 CB SER A 37 -17.518 -1.291 -7.234 1.00 4.54 C ATOM 557 OG SER A 37 -18.307 -1.324 -8.410 1.00 13.42 O ATOM 0 H SER A 37 -16.326 -1.062 -9.467 1.00 15.21 H new ATOM 0 HA SER A 37 -15.440 -1.444 -6.709 1.00 1.31 H new ATOM 0 HB2 SER A 37 -17.978 -1.913 -6.466 1.00 4.54 H new ATOM 0 HB3 SER A 37 -17.485 -0.274 -6.843 1.00 4.54 H new ATOM 0 HG SER A 37 -19.211 -1.007 -8.206 1.00 13.42 H new ATOM 563 N THR A 38 -15.741 -3.914 -6.409 1.00 72.24 N ATOM 564 CA THR A 38 -15.679 -5.367 -6.308 1.00 51.33 C ATOM 565 C THR A 38 -16.960 -6.009 -6.828 1.00 31.32 C ATOM 566 O THR A 38 -16.945 -7.135 -7.327 1.00 4.15 O ATOM 567 CB THR A 38 -15.444 -5.819 -4.855 1.00 31.22 C ATOM 568 OG1 THR A 38 -15.703 -7.222 -4.731 1.00 25.14 O ATOM 569 CG2 THR A 38 -16.338 -5.047 -3.896 1.00 52.15 C ATOM 0 H THR A 38 -15.513 -3.421 -5.546 1.00 72.24 H new ATOM 0 HA THR A 38 -14.839 -5.691 -6.922 1.00 51.33 H new ATOM 0 HB THR A 38 -14.404 -5.617 -4.599 1.00 31.22 H new ATOM 0 HG1 THR A 38 -16.167 -7.395 -3.886 1.00 25.14 H new ATOM 0 HG21 THR A 38 -16.154 -5.384 -2.876 1.00 52.15 H new ATOM 0 HG22 THR A 38 -16.119 -3.982 -3.972 1.00 52.15 H new ATOM 0 HG23 THR A 38 -17.383 -5.221 -4.153 1.00 52.15 H new ATOM 577 N LYS A 39 -18.069 -5.287 -6.709 1.00 31.23 N ATOM 578 CA LYS A 39 -19.360 -5.785 -7.168 1.00 31.50 C ATOM 579 C LYS A 39 -19.369 -5.957 -8.684 1.00 31.44 C ATOM 580 O LYS A 39 -19.686 -7.032 -9.193 1.00 13.40 O ATOM 581 CB LYS A 39 -20.478 -4.830 -6.746 1.00 13.31 C ATOM 582 CG LYS A 39 -21.858 -5.265 -7.210 1.00 4.42 C ATOM 583 CD LYS A 39 -22.867 -4.134 -7.095 1.00 22.53 C ATOM 584 CE LYS A 39 -23.097 -3.738 -5.644 1.00 45.14 C ATOM 585 NZ LYS A 39 -23.847 -4.784 -4.896 1.00 3.14 N ATOM 0 H LYS A 39 -18.099 -4.354 -6.298 1.00 31.23 H new ATOM 0 HA LYS A 39 -19.530 -6.759 -6.708 1.00 31.50 H new ATOM 0 HB2 LYS A 39 -20.480 -4.744 -5.659 1.00 13.31 H new ATOM 0 HB3 LYS A 39 -20.266 -3.838 -7.144 1.00 13.31 H new ATOM 0 HG2 LYS A 39 -21.805 -5.603 -8.245 1.00 4.42 H new ATOM 0 HG3 LYS A 39 -22.192 -6.114 -6.614 1.00 4.42 H new ATOM 0 HD2 LYS A 39 -22.513 -3.270 -7.657 1.00 22.53 H new ATOM 0 HD3 LYS A 39 -23.812 -4.441 -7.544 1.00 22.53 H new ATOM 0 HE2 LYS A 39 -22.137 -3.563 -5.159 1.00 45.14 H new ATOM 0 HE3 LYS A 39 -23.649 -2.799 -5.607 1.00 45.14 H new ATOM 0 HZ1 LYS A 39 -24.116 -4.416 -3.961 1.00 3.14 H new ATOM 0 HZ2 LYS A 39 -24.704 -5.043 -5.426 1.00 3.14 H new ATOM 0 HZ3 LYS A 39 -23.246 -5.624 -4.778 1.00 3.14 H new ATOM 599 N GLU A 40 -19.018 -4.893 -9.398 1.00 4.44 N ATOM 600 CA GLU A 40 -18.985 -4.928 -10.855 1.00 50.20 C ATOM 601 C GLU A 40 -17.798 -5.748 -11.353 1.00 53.31 C ATOM 602 O GLU A 40 -17.863 -6.376 -12.410 1.00 75.53 O ATOM 603 CB GLU A 40 -18.911 -3.508 -11.420 1.00 41.31 C ATOM 604 CG GLU A 40 -19.961 -2.570 -10.849 1.00 54.14 C ATOM 605 CD GLU A 40 -21.372 -2.971 -11.234 1.00 52.25 C ATOM 606 OE1 GLU A 40 -21.752 -2.751 -12.404 1.00 34.23 O ATOM 607 OE2 GLU A 40 -22.096 -3.503 -10.367 1.00 62.44 O ATOM 0 H GLU A 40 -18.752 -3.996 -8.991 1.00 4.44 H new ATOM 0 HA GLU A 40 -19.903 -5.402 -11.202 1.00 50.20 H new ATOM 0 HB2 GLU A 40 -17.921 -3.097 -11.219 1.00 41.31 H new ATOM 0 HB3 GLU A 40 -19.025 -3.551 -12.503 1.00 41.31 H new ATOM 0 HG2 GLU A 40 -19.876 -2.553 -9.762 1.00 54.14 H new ATOM 0 HG3 GLU A 40 -19.767 -1.556 -11.200 1.00 54.14 H new ATOM 614 N LEU A 41 -16.715 -5.736 -10.585 1.00 3.12 N ATOM 615 CA LEU A 41 -15.512 -6.477 -10.947 1.00 62.51 C ATOM 616 C LEU A 41 -15.810 -7.967 -11.081 1.00 33.43 C ATOM 617 O LEU A 41 -15.137 -8.682 -11.823 1.00 12.45 O ATOM 618 CB LEU A 41 -14.418 -6.257 -9.901 1.00 12.34 C ATOM 619 CG LEU A 41 -13.132 -7.061 -10.094 1.00 32.03 C ATOM 620 CD1 LEU A 41 -12.694 -7.026 -11.550 1.00 33.14 C ATOM 621 CD2 LEU A 41 -12.029 -6.529 -9.190 1.00 54.32 C ATOM 0 H LEU A 41 -16.645 -5.221 -9.707 1.00 3.12 H new ATOM 0 HA LEU A 41 -15.164 -6.106 -11.911 1.00 62.51 H new ATOM 0 HB2 LEU A 41 -14.162 -5.198 -9.890 1.00 12.34 H new ATOM 0 HB3 LEU A 41 -14.828 -6.496 -8.920 1.00 12.34 H new ATOM 0 HG LEU A 41 -13.330 -8.097 -9.820 1.00 32.03 H new ATOM 0 HD11 LEU A 41 -11.777 -7.604 -11.668 1.00 33.14 H new ATOM 0 HD12 LEU A 41 -13.476 -7.455 -12.176 1.00 33.14 H new ATOM 0 HD13 LEU A 41 -12.514 -5.994 -11.851 1.00 33.14 H new ATOM 0 HD21 LEU A 41 -11.121 -7.113 -9.341 1.00 54.32 H new ATOM 0 HD22 LEU A 41 -11.833 -5.484 -9.432 1.00 54.32 H new ATOM 0 HD23 LEU A 41 -12.342 -6.608 -8.149 1.00 54.32 H new ATOM 633 N GLY A 42 -16.826 -8.430 -10.358 1.00 54.52 N ATOM 634 CA GLY A 42 -17.198 -9.831 -10.412 1.00 23.41 C ATOM 635 C GLY A 42 -17.942 -10.186 -11.684 1.00 45.33 C ATOM 636 O GLY A 42 -17.876 -11.322 -12.155 1.00 54.50 O ATOM 0 H GLY A 42 -17.398 -7.859 -9.736 1.00 54.52 H new ATOM 0 HA2 GLY A 42 -16.301 -10.445 -10.337 1.00 23.41 H new ATOM 0 HA3 GLY A 42 -17.822 -10.071 -9.551 1.00 23.41 H new ATOM 640 N LYS A 43 -18.653 -9.212 -12.243 1.00 24.13 N ATOM 641 CA LYS A 43 -19.413 -9.426 -13.468 1.00 52.32 C ATOM 642 C LYS A 43 -18.481 -9.628 -14.659 1.00 33.24 C ATOM 643 O LYS A 43 -18.705 -10.505 -15.493 1.00 75.21 O ATOM 644 CB LYS A 43 -20.342 -8.238 -13.730 1.00 43.31 C ATOM 645 CG LYS A 43 -21.805 -8.537 -13.456 1.00 32.45 C ATOM 646 CD LYS A 43 -22.721 -7.634 -14.265 1.00 22.50 C ATOM 647 CE LYS A 43 -23.675 -8.441 -15.132 1.00 63.44 C ATOM 648 NZ LYS A 43 -24.230 -7.629 -16.250 1.00 41.01 N ATOM 0 H LYS A 43 -18.718 -8.266 -11.866 1.00 24.13 H new ATOM 0 HA LYS A 43 -20.012 -10.328 -13.341 1.00 52.32 H new ATOM 0 HB2 LYS A 43 -20.029 -7.399 -13.109 1.00 43.31 H new ATOM 0 HB3 LYS A 43 -20.232 -7.924 -14.768 1.00 43.31 H new ATOM 0 HG2 LYS A 43 -22.015 -9.579 -13.696 1.00 32.45 H new ATOM 0 HG3 LYS A 43 -22.011 -8.407 -12.393 1.00 32.45 H new ATOM 0 HD2 LYS A 43 -23.292 -6.995 -13.591 1.00 22.50 H new ATOM 0 HD3 LYS A 43 -22.122 -6.977 -14.896 1.00 22.50 H new ATOM 0 HE2 LYS A 43 -23.153 -9.308 -15.537 1.00 63.44 H new ATOM 0 HE3 LYS A 43 -24.492 -8.820 -14.518 1.00 63.44 H new ATOM 0 HZ1 LYS A 43 -24.875 -8.215 -16.817 1.00 41.01 H new ATOM 0 HZ2 LYS A 43 -24.750 -6.816 -15.863 1.00 41.01 H new ATOM 0 HZ3 LYS A 43 -23.453 -7.289 -16.851 1.00 41.01 H new ATOM 662 N VAL A 44 -17.434 -8.812 -14.730 1.00 72.53 N ATOM 663 CA VAL A 44 -16.467 -8.904 -15.817 1.00 63.12 C ATOM 664 C VAL A 44 -15.761 -10.255 -15.812 1.00 64.20 C ATOM 665 O VAL A 44 -15.360 -10.762 -16.860 1.00 10.53 O ATOM 666 CB VAL A 44 -15.412 -7.786 -15.725 1.00 42.44 C ATOM 667 CG1 VAL A 44 -14.394 -7.918 -16.848 1.00 52.42 C ATOM 668 CG2 VAL A 44 -16.080 -6.419 -15.758 1.00 72.45 C ATOM 0 H VAL A 44 -17.234 -8.080 -14.048 1.00 72.53 H new ATOM 0 HA VAL A 44 -17.025 -8.792 -16.747 1.00 63.12 H new ATOM 0 HB VAL A 44 -14.885 -7.885 -14.776 1.00 42.44 H new ATOM 0 HG11 VAL A 44 -13.657 -7.119 -16.766 1.00 52.42 H new ATOM 0 HG12 VAL A 44 -13.893 -8.883 -16.773 1.00 52.42 H new ATOM 0 HG13 VAL A 44 -14.902 -7.846 -17.810 1.00 52.42 H new ATOM 0 HG21 VAL A 44 -15.320 -5.641 -15.692 1.00 72.45 H new ATOM 0 HG22 VAL A 44 -16.634 -6.307 -16.690 1.00 72.45 H new ATOM 0 HG23 VAL A 44 -16.766 -6.329 -14.916 1.00 72.45 H new ATOM 678 N MET A 45 -15.612 -10.834 -14.625 1.00 60.41 N ATOM 679 CA MET A 45 -14.955 -12.129 -14.484 1.00 13.23 C ATOM 680 C MET A 45 -15.564 -13.154 -15.435 1.00 35.23 C ATOM 681 O MET A 45 -14.881 -14.067 -15.899 1.00 1.20 O ATOM 682 CB MET A 45 -15.065 -12.626 -13.041 1.00 13.40 C ATOM 683 CG MET A 45 -14.331 -11.750 -12.039 1.00 12.51 C ATOM 684 SD MET A 45 -12.735 -12.434 -11.556 1.00 22.51 S ATOM 685 CE MET A 45 -12.087 -12.938 -13.148 1.00 22.11 C ATOM 0 H MET A 45 -15.937 -10.428 -13.748 1.00 60.41 H new ATOM 0 HA MET A 45 -13.903 -12.004 -14.739 1.00 13.23 H new ATOM 0 HB2 MET A 45 -16.118 -12.679 -12.763 1.00 13.40 H new ATOM 0 HB3 MET A 45 -14.669 -13.640 -12.983 1.00 13.40 H new ATOM 0 HG2 MET A 45 -14.182 -10.759 -12.469 1.00 12.51 H new ATOM 0 HG3 MET A 45 -14.951 -11.622 -11.151 1.00 12.51 H new ATOM 0 HE1 MET A 45 -11.072 -13.316 -13.025 1.00 22.11 H new ATOM 0 HE2 MET A 45 -12.718 -13.722 -13.566 1.00 22.11 H new ATOM 0 HE3 MET A 45 -12.075 -12.083 -13.823 1.00 22.11 H new ATOM 695 N ARG A 46 -16.853 -12.998 -15.720 1.00 50.20 N ATOM 696 CA ARG A 46 -17.554 -13.911 -16.614 1.00 61.34 C ATOM 697 C ARG A 46 -16.933 -13.891 -18.008 1.00 51.42 C ATOM 698 O ARG A 46 -16.796 -14.930 -18.652 1.00 65.04 O ATOM 699 CB ARG A 46 -19.035 -13.540 -16.699 1.00 14.22 C ATOM 700 CG ARG A 46 -19.769 -13.658 -15.373 1.00 54.41 C ATOM 701 CD ARG A 46 -19.883 -15.107 -14.926 1.00 41.30 C ATOM 702 NE ARG A 46 -21.225 -15.428 -14.447 1.00 64.10 N ATOM 703 CZ ARG A 46 -22.262 -15.636 -15.251 1.00 24.43 C ATOM 704 NH1 ARG A 46 -22.112 -15.558 -16.566 1.00 3.43 N ATOM 705 NH2 ARG A 46 -23.452 -15.925 -14.739 1.00 44.52 N ATOM 0 H ARG A 46 -17.433 -12.248 -15.344 1.00 50.20 H new ATOM 0 HA ARG A 46 -17.462 -14.918 -16.208 1.00 61.34 H new ATOM 0 HB2 ARG A 46 -19.124 -12.517 -17.064 1.00 14.22 H new ATOM 0 HB3 ARG A 46 -19.521 -14.184 -17.432 1.00 14.22 H new ATOM 0 HG2 ARG A 46 -19.243 -13.082 -14.612 1.00 54.41 H new ATOM 0 HG3 ARG A 46 -20.765 -13.226 -15.468 1.00 54.41 H new ATOM 0 HD2 ARG A 46 -19.628 -15.764 -15.758 1.00 41.30 H new ATOM 0 HD3 ARG A 46 -19.160 -15.300 -14.134 1.00 41.30 H new ATOM 0 HE ARG A 46 -21.374 -15.496 -13.440 1.00 64.10 H new ATOM 0 HH11 ARG A 46 -21.199 -15.338 -16.963 1.00 3.43 H new ATOM 0 HH12 ARG A 46 -22.910 -15.718 -17.181 1.00 3.43 H new ATOM 0 HH21 ARG A 46 -23.571 -15.987 -13.728 1.00 44.52 H new ATOM 0 HH22 ARG A 46 -24.248 -16.085 -15.357 1.00 44.52 H new ATOM 719 N MET A 47 -16.561 -12.700 -18.467 1.00 23.11 N ATOM 720 CA MET A 47 -15.954 -12.545 -19.784 1.00 11.41 C ATOM 721 C MET A 47 -14.588 -13.220 -19.836 1.00 64.42 C ATOM 722 O MET A 47 -14.152 -13.682 -20.892 1.00 1.31 O ATOM 723 CB MET A 47 -15.816 -11.062 -20.134 1.00 14.44 C ATOM 724 CG MET A 47 -17.129 -10.298 -20.072 1.00 33.15 C ATOM 725 SD MET A 47 -18.072 -10.412 -21.604 1.00 41.44 S ATOM 726 CE MET A 47 -18.704 -8.741 -21.738 1.00 32.15 C ATOM 0 H MET A 47 -16.669 -11.829 -17.947 1.00 23.11 H new ATOM 0 HA MET A 47 -16.605 -13.025 -20.515 1.00 11.41 H new ATOM 0 HB2 MET A 47 -15.104 -10.600 -19.450 1.00 14.44 H new ATOM 0 HB3 MET A 47 -15.399 -10.971 -21.137 1.00 14.44 H new ATOM 0 HG2 MET A 47 -17.731 -10.684 -19.250 1.00 33.15 H new ATOM 0 HG3 MET A 47 -16.925 -9.250 -19.853 1.00 33.15 H new ATOM 0 HE1 MET A 47 -19.310 -8.652 -22.640 1.00 32.15 H new ATOM 0 HE2 MET A 47 -19.316 -8.512 -20.866 1.00 32.15 H new ATOM 0 HE3 MET A 47 -17.871 -8.040 -21.790 1.00 32.15 H new ATOM 736 N LEU A 48 -13.916 -13.275 -18.692 1.00 24.44 N ATOM 737 CA LEU A 48 -12.598 -13.895 -18.607 1.00 44.01 C ATOM 738 C LEU A 48 -12.698 -15.410 -18.748 1.00 72.45 C ATOM 739 O LEU A 48 -11.744 -16.071 -19.156 1.00 43.23 O ATOM 740 CB LEU A 48 -11.929 -13.539 -17.278 1.00 40.53 C ATOM 741 CG LEU A 48 -11.301 -12.147 -17.195 1.00 1.10 C ATOM 742 CD1 LEU A 48 -10.268 -11.961 -18.295 1.00 45.11 C ATOM 743 CD2 LEU A 48 -12.374 -11.071 -17.281 1.00 60.43 C ATOM 0 H LEU A 48 -14.262 -12.898 -17.810 1.00 24.44 H new ATOM 0 HA LEU A 48 -11.991 -13.511 -19.427 1.00 44.01 H new ATOM 0 HB2 LEU A 48 -12.671 -13.629 -16.485 1.00 40.53 H new ATOM 0 HB3 LEU A 48 -11.154 -14.278 -17.075 1.00 40.53 H new ATOM 0 HG LEU A 48 -10.798 -12.054 -16.233 1.00 1.10 H new ATOM 0 HD11 LEU A 48 -9.832 -10.965 -18.220 1.00 45.11 H new ATOM 0 HD12 LEU A 48 -9.483 -12.710 -18.187 1.00 45.11 H new ATOM 0 HD13 LEU A 48 -10.747 -12.075 -19.267 1.00 45.11 H new ATOM 0 HD21 LEU A 48 -11.908 -10.087 -17.220 1.00 60.43 H new ATOM 0 HD22 LEU A 48 -12.906 -11.163 -18.228 1.00 60.43 H new ATOM 0 HD23 LEU A 48 -13.077 -11.191 -16.457 1.00 60.43 H new ATOM 755 N GLY A 49 -13.863 -15.955 -18.410 1.00 60.31 N ATOM 756 CA GLY A 49 -14.068 -17.389 -18.508 1.00 43.32 C ATOM 757 C GLY A 49 -14.264 -18.040 -17.154 1.00 21.33 C ATOM 758 O GLY A 49 -14.301 -19.266 -17.048 1.00 11.22 O ATOM 0 H GLY A 49 -14.668 -15.429 -18.070 1.00 60.31 H new ATOM 0 HA2 GLY A 49 -14.939 -17.587 -19.132 1.00 43.32 H new ATOM 0 HA3 GLY A 49 -13.210 -17.842 -19.005 1.00 43.32 H new ATOM 762 N GLN A 50 -14.388 -17.219 -16.116 1.00 62.10 N ATOM 763 CA GLN A 50 -14.579 -17.724 -14.761 1.00 44.05 C ATOM 764 C GLN A 50 -15.716 -16.988 -14.061 1.00 42.32 C ATOM 765 O GLN A 50 -16.036 -15.850 -14.404 1.00 24.31 O ATOM 766 CB GLN A 50 -13.288 -17.579 -13.954 1.00 5.20 C ATOM 767 CG GLN A 50 -12.171 -18.498 -14.422 1.00 22.03 C ATOM 768 CD GLN A 50 -11.553 -18.047 -15.731 1.00 12.14 C ATOM 769 OE1 GLN A 50 -11.512 -18.801 -16.703 1.00 41.23 O ATOM 770 NE2 GLN A 50 -11.069 -16.811 -15.762 1.00 3.11 N ATOM 0 H GLN A 50 -14.360 -16.202 -16.187 1.00 62.10 H new ATOM 0 HA GLN A 50 -14.841 -18.780 -14.827 1.00 44.05 H new ATOM 0 HB2 GLN A 50 -12.946 -16.546 -14.014 1.00 5.20 H new ATOM 0 HB3 GLN A 50 -13.500 -17.784 -12.905 1.00 5.20 H new ATOM 0 HG2 GLN A 50 -11.397 -18.542 -13.656 1.00 22.03 H new ATOM 0 HG3 GLN A 50 -12.562 -19.509 -14.539 1.00 22.03 H new ATOM 0 HE21 GLN A 50 -11.124 -16.221 -14.932 1.00 3.11 H new ATOM 0 HE22 GLN A 50 -10.642 -16.452 -16.616 1.00 3.11 H new ATOM 779 N ASN A 51 -16.323 -17.645 -13.079 1.00 12.15 N ATOM 780 CA ASN A 51 -17.426 -17.053 -12.330 1.00 51.53 C ATOM 781 C ASN A 51 -17.302 -17.363 -10.842 1.00 35.43 C ATOM 782 O ASN A 51 -18.106 -18.098 -10.267 1.00 22.31 O ATOM 783 CB ASN A 51 -18.765 -17.568 -12.861 1.00 71.50 C ATOM 784 CG ASN A 51 -19.946 -17.011 -12.090 1.00 51.23 C ATOM 785 OD1 ASN A 51 -19.921 -15.709 -11.831 1.00 24.21 O flip ATOM 786 ND2 ASN A 51 -20.870 -17.742 -11.733 1.00 13.33 N flip ATOM 0 H ASN A 51 -16.070 -18.588 -12.783 1.00 12.15 H new ATOM 0 HA ASN A 51 -17.383 -15.972 -12.462 1.00 51.53 H new ATOM 0 HB2 ASN A 51 -18.863 -17.300 -13.913 1.00 71.50 H new ATOM 0 HB3 ASN A 51 -18.780 -18.657 -12.806 1.00 71.50 H new ATOM 0 HD21 ASN A 51 -20.847 -18.737 -11.954 1.00 13.33 H new ATOM 0 HD22 ASN A 51 -21.658 -17.352 -11.216 1.00 13.33 H new ATOM 793 N PRO A 52 -16.272 -16.791 -10.201 1.00 54.22 N ATOM 794 CA PRO A 52 -16.020 -16.991 -8.771 1.00 44.22 C ATOM 795 C PRO A 52 -17.068 -16.312 -7.897 1.00 11.14 C ATOM 796 O PRO A 52 -17.858 -15.497 -8.375 1.00 3.44 O ATOM 797 CB PRO A 52 -14.648 -16.346 -8.560 1.00 3.41 C ATOM 798 CG PRO A 52 -14.534 -15.333 -9.647 1.00 10.25 C ATOM 799 CD PRO A 52 -15.276 -15.903 -10.824 1.00 23.44 C ATOM 0 HA PRO A 52 -16.059 -18.044 -8.493 1.00 44.22 H new ATOM 0 HB2 PRO A 52 -14.576 -15.881 -7.577 1.00 3.41 H new ATOM 0 HB3 PRO A 52 -13.849 -17.085 -8.622 1.00 3.41 H new ATOM 0 HG2 PRO A 52 -14.964 -14.380 -9.339 1.00 10.25 H new ATOM 0 HG3 PRO A 52 -13.490 -15.145 -9.898 1.00 10.25 H new ATOM 0 HD2 PRO A 52 -15.750 -15.121 -11.417 1.00 23.44 H new ATOM 0 HD3 PRO A 52 -14.611 -16.451 -11.492 1.00 23.44 H new ATOM 807 N THR A 53 -17.071 -16.652 -6.611 1.00 62.45 N ATOM 808 CA THR A 53 -18.023 -16.076 -5.670 1.00 64.31 C ATOM 809 C THR A 53 -17.944 -14.554 -5.672 1.00 14.14 C ATOM 810 O THR A 53 -16.955 -13.959 -6.101 1.00 74.51 O ATOM 811 CB THR A 53 -17.778 -16.590 -4.239 1.00 32.13 C ATOM 812 OG1 THR A 53 -16.426 -17.043 -4.105 1.00 75.40 O ATOM 813 CG2 THR A 53 -18.734 -17.724 -3.900 1.00 54.21 C ATOM 0 H THR A 53 -16.424 -17.324 -6.198 1.00 62.45 H new ATOM 0 HA THR A 53 -19.016 -16.386 -5.994 1.00 64.31 H new ATOM 0 HB THR A 53 -17.955 -15.767 -3.546 1.00 32.13 H new ATOM 0 HG1 THR A 53 -16.278 -17.366 -3.192 1.00 75.40 H new ATOM 0 HG21 THR A 53 -18.542 -18.071 -2.885 1.00 54.21 H new ATOM 0 HG22 THR A 53 -19.762 -17.368 -3.974 1.00 54.21 H new ATOM 0 HG23 THR A 53 -18.584 -18.547 -4.599 1.00 54.21 H new ATOM 821 N PRO A 54 -19.010 -13.905 -5.180 1.00 33.35 N ATOM 822 CA PRO A 54 -19.086 -12.443 -5.112 1.00 45.11 C ATOM 823 C PRO A 54 -18.130 -11.860 -4.076 1.00 71.52 C ATOM 824 O PRO A 54 -17.419 -10.894 -4.349 1.00 52.01 O ATOM 825 CB PRO A 54 -20.538 -12.181 -4.707 1.00 12.31 C ATOM 826 CG PRO A 54 -20.961 -13.417 -3.991 1.00 2.11 C ATOM 827 CD PRO A 54 -20.224 -14.550 -4.650 1.00 51.25 C ATOM 0 HA PRO A 54 -18.802 -11.976 -6.055 1.00 45.11 H new ATOM 0 HB2 PRO A 54 -20.618 -11.304 -4.064 1.00 12.31 H new ATOM 0 HB3 PRO A 54 -21.165 -11.995 -5.579 1.00 12.31 H new ATOM 0 HG2 PRO A 54 -20.716 -13.357 -2.931 1.00 2.11 H new ATOM 0 HG3 PRO A 54 -22.039 -13.559 -4.062 1.00 2.11 H new ATOM 0 HD2 PRO A 54 -19.982 -15.339 -3.939 1.00 51.25 H new ATOM 0 HD3 PRO A 54 -20.816 -15.007 -5.444 1.00 51.25 H new ATOM 835 N GLU A 55 -18.119 -12.455 -2.887 1.00 70.44 N ATOM 836 CA GLU A 55 -17.250 -11.994 -1.811 1.00 53.10 C ATOM 837 C GLU A 55 -15.781 -12.172 -2.184 1.00 11.25 C ATOM 838 O GLU A 55 -14.919 -11.425 -1.722 1.00 50.33 O ATOM 839 CB GLU A 55 -17.555 -12.753 -0.518 1.00 75.32 C ATOM 840 CG GLU A 55 -18.856 -12.330 0.144 1.00 4.41 C ATOM 841 CD GLU A 55 -18.848 -12.558 1.643 1.00 12.12 C ATOM 842 OE1 GLU A 55 -17.995 -11.960 2.331 1.00 44.22 O ATOM 843 OE2 GLU A 55 -19.697 -13.335 2.128 1.00 20.05 O ATOM 0 H GLU A 55 -18.702 -13.257 -2.645 1.00 70.44 H new ATOM 0 HA GLU A 55 -17.441 -10.932 -1.654 1.00 53.10 H new ATOM 0 HB2 GLU A 55 -17.598 -13.820 -0.735 1.00 75.32 H new ATOM 0 HB3 GLU A 55 -16.735 -12.603 0.184 1.00 75.32 H new ATOM 0 HG2 GLU A 55 -19.036 -11.274 -0.058 1.00 4.41 H new ATOM 0 HG3 GLU A 55 -19.683 -12.885 -0.300 1.00 4.41 H new ATOM 850 N GLU A 56 -15.505 -13.167 -3.021 1.00 12.14 N ATOM 851 CA GLU A 56 -14.141 -13.444 -3.454 1.00 4.33 C ATOM 852 C GLU A 56 -13.531 -12.226 -4.143 1.00 70.40 C ATOM 853 O GLU A 56 -12.337 -11.954 -4.006 1.00 75.15 O ATOM 854 CB GLU A 56 -14.116 -14.645 -4.401 1.00 33.21 C ATOM 855 CG GLU A 56 -12.789 -15.384 -4.413 1.00 24.12 C ATOM 856 CD GLU A 56 -12.758 -16.545 -3.437 1.00 52.24 C ATOM 857 OE1 GLU A 56 -12.959 -16.308 -2.228 1.00 4.43 O ATOM 858 OE2 GLU A 56 -12.534 -17.689 -3.883 1.00 62.31 O ATOM 0 H GLU A 56 -16.208 -13.794 -3.412 1.00 12.14 H new ATOM 0 HA GLU A 56 -13.547 -13.676 -2.570 1.00 4.33 H new ATOM 0 HB2 GLU A 56 -14.906 -15.339 -4.115 1.00 33.21 H new ATOM 0 HB3 GLU A 56 -14.342 -14.305 -5.412 1.00 33.21 H new ATOM 0 HG2 GLU A 56 -12.593 -15.755 -5.419 1.00 24.12 H new ATOM 0 HG3 GLU A 56 -11.987 -14.687 -4.168 1.00 24.12 H new ATOM 865 N LEU A 57 -14.358 -11.498 -4.884 1.00 54.22 N ATOM 866 CA LEU A 57 -13.902 -10.309 -5.596 1.00 71.02 C ATOM 867 C LEU A 57 -13.174 -9.356 -4.654 1.00 12.21 C ATOM 868 O LEU A 57 -12.028 -8.982 -4.899 1.00 4.21 O ATOM 869 CB LEU A 57 -15.087 -9.594 -6.248 1.00 34.35 C ATOM 870 CG LEU A 57 -15.543 -10.145 -7.599 1.00 61.13 C ATOM 871 CD1 LEU A 57 -14.402 -10.105 -8.604 1.00 22.42 C ATOM 872 CD2 LEU A 57 -16.072 -11.564 -7.446 1.00 51.42 C ATOM 0 H LEU A 57 -15.348 -11.710 -5.008 1.00 54.22 H new ATOM 0 HA LEU A 57 -13.205 -10.626 -6.372 1.00 71.02 H new ATOM 0 HB2 LEU A 57 -15.931 -9.631 -5.560 1.00 34.35 H new ATOM 0 HB3 LEU A 57 -14.826 -8.544 -6.376 1.00 34.35 H new ATOM 0 HG LEU A 57 -16.351 -9.516 -7.972 1.00 61.13 H new ATOM 0 HD11 LEU A 57 -14.745 -10.501 -9.560 1.00 22.42 H new ATOM 0 HD12 LEU A 57 -14.069 -9.075 -8.736 1.00 22.42 H new ATOM 0 HD13 LEU A 57 -13.573 -10.710 -8.237 1.00 22.42 H new ATOM 0 HD21 LEU A 57 -16.392 -11.940 -8.418 1.00 51.42 H new ATOM 0 HD22 LEU A 57 -15.284 -12.205 -7.050 1.00 51.42 H new ATOM 0 HD23 LEU A 57 -16.919 -11.565 -6.760 1.00 51.42 H new ATOM 884 N GLN A 58 -13.848 -8.969 -3.575 1.00 43.24 N ATOM 885 CA GLN A 58 -13.264 -8.060 -2.596 1.00 23.43 C ATOM 886 C GLN A 58 -12.038 -8.685 -1.938 1.00 3.25 C ATOM 887 O GLN A 58 -11.155 -7.978 -1.452 1.00 14.12 O ATOM 888 CB GLN A 58 -14.298 -7.692 -1.530 1.00 64.51 C ATOM 889 CG GLN A 58 -13.702 -6.988 -0.322 1.00 42.41 C ATOM 890 CD GLN A 58 -13.067 -5.658 -0.677 1.00 4.30 C ATOM 891 OE1 GLN A 58 -13.728 -4.761 -1.202 1.00 65.43 O ATOM 892 NE2 GLN A 58 -11.777 -5.522 -0.391 1.00 61.30 N ATOM 0 H GLN A 58 -14.798 -9.271 -3.357 1.00 43.24 H new ATOM 0 HA GLN A 58 -12.953 -7.155 -3.117 1.00 23.43 H new ATOM 0 HB2 GLN A 58 -15.056 -7.049 -1.978 1.00 64.51 H new ATOM 0 HB3 GLN A 58 -14.804 -8.599 -1.199 1.00 64.51 H new ATOM 0 HG2 GLN A 58 -14.482 -6.827 0.422 1.00 42.41 H new ATOM 0 HG3 GLN A 58 -12.953 -7.633 0.137 1.00 42.41 H new ATOM 0 HE21 GLN A 58 -11.267 -6.291 0.044 1.00 61.30 H new ATOM 0 HE22 GLN A 58 -11.296 -4.649 -0.606 1.00 61.30 H new ATOM 901 N GLU A 59 -11.991 -10.013 -1.925 1.00 63.33 N ATOM 902 CA GLU A 59 -10.873 -10.732 -1.325 1.00 42.21 C ATOM 903 C GLU A 59 -9.560 -10.367 -2.012 1.00 62.10 C ATOM 904 O GLU A 59 -8.595 -9.971 -1.359 1.00 41.11 O ATOM 905 CB GLU A 59 -11.103 -12.242 -1.411 1.00 34.03 C ATOM 906 CG GLU A 59 -10.411 -13.027 -0.309 1.00 52.11 C ATOM 907 CD GLU A 59 -8.967 -13.349 -0.641 1.00 72.24 C ATOM 908 OE1 GLU A 59 -8.738 -14.250 -1.476 1.00 0.04 O ATOM 909 OE2 GLU A 59 -8.067 -12.702 -0.068 1.00 0.43 O ATOM 0 H GLU A 59 -12.714 -10.613 -2.323 1.00 63.33 H new ATOM 0 HA GLU A 59 -10.808 -10.441 -0.277 1.00 42.21 H new ATOM 0 HB2 GLU A 59 -12.174 -12.441 -1.370 1.00 34.03 H new ATOM 0 HB3 GLU A 59 -10.749 -12.600 -2.378 1.00 34.03 H new ATOM 0 HG2 GLU A 59 -10.448 -12.455 0.618 1.00 52.11 H new ATOM 0 HG3 GLU A 59 -10.955 -13.955 -0.132 1.00 52.11 H new ATOM 916 N MET A 60 -9.532 -10.505 -3.334 1.00 12.34 N ATOM 917 CA MET A 60 -8.338 -10.189 -4.110 1.00 34.15 C ATOM 918 C MET A 60 -8.067 -8.688 -4.104 1.00 14.02 C ATOM 919 O MET A 60 -6.929 -8.253 -4.282 1.00 13.10 O ATOM 920 CB MET A 60 -8.493 -10.686 -5.548 1.00 53.33 C ATOM 921 CG MET A 60 -7.224 -10.558 -6.375 1.00 53.33 C ATOM 922 SD MET A 60 -7.291 -9.185 -7.542 1.00 11.40 S ATOM 923 CE MET A 60 -8.442 -9.827 -8.755 1.00 44.13 C ATOM 0 H MET A 60 -10.322 -10.833 -3.890 1.00 12.34 H new ATOM 0 HA MET A 60 -7.490 -10.695 -3.648 1.00 34.15 H new ATOM 0 HB2 MET A 60 -8.802 -11.731 -5.531 1.00 53.33 H new ATOM 0 HB3 MET A 60 -9.292 -10.125 -6.034 1.00 53.33 H new ATOM 0 HG2 MET A 60 -6.373 -10.422 -5.708 1.00 53.33 H new ATOM 0 HG3 MET A 60 -7.056 -11.486 -6.921 1.00 53.33 H new ATOM 0 HE1 MET A 60 -8.414 -9.204 -9.649 1.00 44.13 H new ATOM 0 HE2 MET A 60 -8.164 -10.848 -9.016 1.00 44.13 H new ATOM 0 HE3 MET A 60 -9.450 -9.820 -8.340 1.00 44.13 H new ATOM 933 N ILE A 61 -9.119 -7.902 -3.899 1.00 20.24 N ATOM 934 CA ILE A 61 -8.993 -6.450 -3.869 1.00 60.42 C ATOM 935 C ILE A 61 -8.454 -5.972 -2.525 1.00 72.41 C ATOM 936 O ILE A 61 -7.892 -4.882 -2.422 1.00 55.22 O ATOM 937 CB ILE A 61 -10.344 -5.762 -4.142 1.00 64.42 C ATOM 938 CG1 ILE A 61 -10.822 -6.075 -5.561 1.00 74.13 C ATOM 939 CG2 ILE A 61 -10.224 -4.260 -3.937 1.00 5.31 C ATOM 940 CD1 ILE A 61 -12.166 -5.466 -5.894 1.00 15.24 C ATOM 0 H ILE A 61 -10.068 -8.246 -3.751 1.00 20.24 H new ATOM 0 HA ILE A 61 -8.290 -6.178 -4.657 1.00 60.42 H new ATOM 0 HB ILE A 61 -11.081 -6.147 -3.437 1.00 64.42 H new ATOM 0 HG12 ILE A 61 -10.081 -5.712 -6.274 1.00 74.13 H new ATOM 0 HG13 ILE A 61 -10.881 -7.156 -5.686 1.00 74.13 H new ATOM 0 HG21 ILE A 61 -11.187 -3.788 -4.134 1.00 5.31 H new ATOM 0 HG22 ILE A 61 -9.923 -4.056 -2.909 1.00 5.31 H new ATOM 0 HG23 ILE A 61 -9.476 -3.858 -4.621 1.00 5.31 H new ATOM 0 HD11 ILE A 61 -12.442 -5.729 -6.915 1.00 15.24 H new ATOM 0 HD12 ILE A 61 -12.919 -5.848 -5.205 1.00 15.24 H new ATOM 0 HD13 ILE A 61 -12.107 -4.381 -5.802 1.00 15.24 H new ATOM 952 N ASP A 62 -8.628 -6.797 -1.498 1.00 3.53 N ATOM 953 CA ASP A 62 -8.156 -6.460 -0.159 1.00 54.24 C ATOM 954 C ASP A 62 -6.635 -6.349 -0.131 1.00 32.01 C ATOM 955 O ASP A 62 -6.084 -5.374 0.378 1.00 14.51 O ATOM 956 CB ASP A 62 -8.622 -7.512 0.848 1.00 15.23 C ATOM 957 CG ASP A 62 -8.510 -7.030 2.281 1.00 31.55 C ATOM 958 OD1 ASP A 62 -7.434 -7.216 2.887 1.00 23.04 O ATOM 959 OD2 ASP A 62 -9.498 -6.467 2.797 1.00 31.40 O ATOM 0 H ASP A 62 -9.092 -7.703 -1.567 1.00 3.53 H new ATOM 0 HA ASP A 62 -8.578 -5.493 0.116 1.00 54.24 H new ATOM 0 HB2 ASP A 62 -9.658 -7.779 0.637 1.00 15.23 H new ATOM 0 HB3 ASP A 62 -8.028 -8.417 0.725 1.00 15.23 H new ATOM 964 N GLU A 63 -5.963 -7.356 -0.680 1.00 30.11 N ATOM 965 CA GLU A 63 -4.505 -7.371 -0.715 1.00 74.52 C ATOM 966 C GLU A 63 -3.974 -6.336 -1.702 1.00 50.11 C ATOM 967 O GLU A 63 -2.828 -5.899 -1.603 1.00 45.51 O ATOM 968 CB GLU A 63 -3.997 -8.763 -1.096 1.00 60.45 C ATOM 969 CG GLU A 63 -3.130 -9.408 -0.028 1.00 60.44 C ATOM 970 CD GLU A 63 -2.161 -10.425 -0.599 1.00 62.43 C ATOM 971 OE1 GLU A 63 -1.224 -10.016 -1.317 1.00 14.25 O ATOM 972 OE2 GLU A 63 -2.339 -11.631 -0.328 1.00 73.40 O ATOM 0 H GLU A 63 -6.404 -8.171 -1.106 1.00 30.11 H new ATOM 0 HA GLU A 63 -4.140 -7.119 0.281 1.00 74.52 H new ATOM 0 HB2 GLU A 63 -4.851 -9.409 -1.298 1.00 60.45 H new ATOM 0 HB3 GLU A 63 -3.426 -8.691 -2.021 1.00 60.45 H new ATOM 0 HG2 GLU A 63 -2.571 -8.634 0.497 1.00 60.44 H new ATOM 0 HG3 GLU A 63 -3.769 -9.895 0.709 1.00 60.44 H new ATOM 979 N VAL A 64 -4.816 -5.948 -2.655 1.00 31.42 N ATOM 980 CA VAL A 64 -4.433 -4.964 -3.660 1.00 23.30 C ATOM 981 C VAL A 64 -4.558 -3.546 -3.116 1.00 5.31 C ATOM 982 O VAL A 64 -3.605 -2.767 -3.159 1.00 23.32 O ATOM 983 CB VAL A 64 -5.296 -5.093 -4.929 1.00 65.34 C ATOM 984 CG1 VAL A 64 -4.986 -3.966 -5.902 1.00 41.15 C ATOM 985 CG2 VAL A 64 -5.079 -6.449 -5.585 1.00 10.13 C ATOM 0 H VAL A 64 -5.768 -6.301 -2.752 1.00 31.42 H new ATOM 0 HA VAL A 64 -3.392 -5.161 -3.916 1.00 23.30 H new ATOM 0 HB VAL A 64 -6.345 -5.016 -4.643 1.00 65.34 H new ATOM 0 HG11 VAL A 64 -5.605 -4.074 -6.793 1.00 41.15 H new ATOM 0 HG12 VAL A 64 -5.196 -3.007 -5.427 1.00 41.15 H new ATOM 0 HG13 VAL A 64 -3.934 -4.008 -6.184 1.00 41.15 H new ATOM 0 HG21 VAL A 64 -5.696 -6.523 -6.480 1.00 10.13 H new ATOM 0 HG22 VAL A 64 -4.029 -6.557 -5.858 1.00 10.13 H new ATOM 0 HG23 VAL A 64 -5.356 -7.239 -4.887 1.00 10.13 H new ATOM 995 N ASP A 65 -5.738 -3.216 -2.604 1.00 32.21 N ATOM 996 CA ASP A 65 -5.988 -1.891 -2.049 1.00 51.12 C ATOM 997 C ASP A 65 -5.102 -1.634 -0.834 1.00 72.50 C ATOM 998 O ASP A 65 -5.444 -2.014 0.286 1.00 41.35 O ATOM 999 CB ASP A 65 -7.461 -1.746 -1.662 1.00 24.01 C ATOM 1000 CG ASP A 65 -7.976 -0.335 -1.863 1.00 51.43 C ATOM 1001 OD1 ASP A 65 -7.148 0.575 -2.078 1.00 5.11 O ATOM 1002 OD2 ASP A 65 -9.208 -0.140 -1.807 1.00 51.33 O ATOM 0 H ASP A 65 -6.537 -3.848 -2.562 1.00 32.21 H new ATOM 0 HA ASP A 65 -5.747 -1.153 -2.814 1.00 51.12 H new ATOM 0 HB2 ASP A 65 -8.059 -2.436 -2.257 1.00 24.01 H new ATOM 0 HB3 ASP A 65 -7.589 -2.031 -0.618 1.00 24.01 H new ATOM 1007 N GLU A 66 -3.963 -0.990 -1.064 1.00 43.42 N ATOM 1008 CA GLU A 66 -3.027 -0.685 0.012 1.00 14.12 C ATOM 1009 C GLU A 66 -3.598 0.380 0.944 1.00 53.52 C ATOM 1010 O GLU A 66 -3.395 0.333 2.157 1.00 5.10 O ATOM 1011 CB GLU A 66 -1.690 -0.212 -0.562 1.00 74.05 C ATOM 1012 CG GLU A 66 -1.805 1.033 -1.426 1.00 73.21 C ATOM 1013 CD GLU A 66 -0.513 1.365 -2.146 1.00 5.04 C ATOM 1014 OE1 GLU A 66 -0.135 0.609 -3.065 1.00 23.30 O ATOM 1015 OE2 GLU A 66 0.121 2.380 -1.790 1.00 3.23 O ATOM 0 H GLU A 66 -3.666 -0.669 -1.985 1.00 43.42 H new ATOM 0 HA GLU A 66 -2.865 -1.597 0.586 1.00 14.12 H new ATOM 0 HB2 GLU A 66 -1.002 -0.012 0.259 1.00 74.05 H new ATOM 0 HB3 GLU A 66 -1.254 -1.016 -1.154 1.00 74.05 H new ATOM 0 HG2 GLU A 66 -2.599 0.890 -2.159 1.00 73.21 H new ATOM 0 HG3 GLU A 66 -2.096 1.878 -0.802 1.00 73.21 H new ATOM 1022 N ASP A 67 -4.313 1.340 0.367 1.00 11.33 N ATOM 1023 CA ASP A 67 -4.914 2.418 1.145 1.00 74.33 C ATOM 1024 C ASP A 67 -6.361 2.089 1.500 1.00 11.40 C ATOM 1025 O ASP A 67 -6.998 2.802 2.275 1.00 42.02 O ATOM 1026 CB ASP A 67 -4.853 3.733 0.366 1.00 32.31 C ATOM 1027 CG ASP A 67 -5.289 3.572 -1.077 1.00 61.11 C ATOM 1028 OD1 ASP A 67 -6.327 2.919 -1.315 1.00 10.34 O ATOM 1029 OD2 ASP A 67 -4.592 4.099 -1.969 1.00 12.41 O ATOM 0 H ASP A 67 -4.491 1.394 -0.636 1.00 11.33 H new ATOM 0 HA ASP A 67 -4.347 2.526 2.070 1.00 74.33 H new ATOM 0 HB2 ASP A 67 -5.489 4.471 0.854 1.00 32.31 H new ATOM 0 HB3 ASP A 67 -3.835 4.121 0.394 1.00 32.31 H new ATOM 1034 N GLY A 68 -6.875 1.005 0.927 1.00 41.34 N ATOM 1035 CA GLY A 68 -8.243 0.602 1.194 1.00 11.31 C ATOM 1036 C GLY A 68 -9.247 1.672 0.815 1.00 54.42 C ATOM 1037 O GLY A 68 -10.137 2.004 1.598 1.00 3.45 O ATOM 0 H GLY A 68 -6.368 0.399 0.282 1.00 41.34 H new ATOM 0 HA2 GLY A 68 -8.464 -0.311 0.641 1.00 11.31 H new ATOM 0 HA3 GLY A 68 -8.349 0.367 2.253 1.00 11.31 H new ATOM 1041 N SER A 69 -9.105 2.215 -0.390 1.00 41.11 N ATOM 1042 CA SER A 69 -10.004 3.258 -0.870 1.00 2.32 C ATOM 1043 C SER A 69 -11.383 2.686 -1.181 1.00 34.12 C ATOM 1044 O SER A 69 -12.339 3.427 -1.406 1.00 12.13 O ATOM 1045 CB SER A 69 -9.424 3.927 -2.117 1.00 45.05 C ATOM 1046 OG SER A 69 -8.227 4.622 -1.814 1.00 2.45 O ATOM 0 H SER A 69 -8.376 1.950 -1.052 1.00 41.11 H new ATOM 0 HA SER A 69 -10.108 4.004 -0.082 1.00 2.32 H new ATOM 0 HB2 SER A 69 -9.227 3.173 -2.879 1.00 45.05 H new ATOM 0 HB3 SER A 69 -10.154 4.620 -2.535 1.00 45.05 H new ATOM 0 HG SER A 69 -7.459 4.033 -1.969 1.00 2.45 H new ATOM 1052 N GLY A 70 -11.478 1.360 -1.192 1.00 34.45 N ATOM 1053 CA GLY A 70 -12.744 0.709 -1.476 1.00 20.11 C ATOM 1054 C GLY A 70 -12.798 0.133 -2.877 1.00 24.41 C ATOM 1055 O GLY A 70 -13.639 -0.716 -3.176 1.00 42.44 O ATOM 0 H GLY A 70 -10.701 0.725 -1.009 1.00 34.45 H new ATOM 0 HA2 GLY A 70 -12.909 -0.089 -0.752 1.00 20.11 H new ATOM 0 HA3 GLY A 70 -13.555 1.427 -1.350 1.00 20.11 H new ATOM 1059 N THR A 71 -11.898 0.595 -3.740 1.00 73.32 N ATOM 1060 CA THR A 71 -11.848 0.122 -5.118 1.00 12.11 C ATOM 1061 C THR A 71 -10.421 0.141 -5.654 1.00 54.43 C ATOM 1062 O THR A 71 -9.511 0.658 -5.007 1.00 1.43 O ATOM 1063 CB THR A 71 -12.742 0.976 -6.037 1.00 62.35 C ATOM 1064 OG1 THR A 71 -12.448 2.365 -5.854 1.00 45.14 O ATOM 1065 CG2 THR A 71 -14.214 0.722 -5.749 1.00 63.45 C ATOM 0 H THR A 71 -11.194 1.296 -3.509 1.00 73.32 H new ATOM 0 HA THR A 71 -12.218 -0.903 -5.115 1.00 12.11 H new ATOM 0 HB THR A 71 -12.536 0.695 -7.070 1.00 62.35 H new ATOM 0 HG1 THR A 71 -13.121 2.906 -6.318 1.00 45.14 H new ATOM 0 HG21 THR A 71 -14.825 1.336 -6.410 1.00 63.45 H new ATOM 0 HG22 THR A 71 -14.441 -0.330 -5.918 1.00 63.45 H new ATOM 0 HG23 THR A 71 -14.431 0.978 -4.712 1.00 63.45 H new ATOM 1073 N VAL A 72 -10.233 -0.425 -6.842 1.00 42.31 N ATOM 1074 CA VAL A 72 -8.916 -0.471 -7.467 1.00 12.33 C ATOM 1075 C VAL A 72 -8.734 0.679 -8.451 1.00 75.03 C ATOM 1076 O VAL A 72 -9.518 0.838 -9.387 1.00 71.24 O ATOM 1077 CB VAL A 72 -8.691 -1.804 -8.204 1.00 71.12 C ATOM 1078 CG1 VAL A 72 -7.666 -1.634 -9.315 1.00 2.23 C ATOM 1079 CG2 VAL A 72 -8.256 -2.886 -7.227 1.00 73.02 C ATOM 0 H VAL A 72 -10.976 -0.858 -7.391 1.00 42.31 H new ATOM 0 HA VAL A 72 -8.182 -0.379 -6.666 1.00 12.33 H new ATOM 0 HB VAL A 72 -9.634 -2.112 -8.656 1.00 71.12 H new ATOM 0 HG11 VAL A 72 -7.520 -2.587 -9.824 1.00 2.23 H new ATOM 0 HG12 VAL A 72 -8.023 -0.892 -10.029 1.00 2.23 H new ATOM 0 HG13 VAL A 72 -6.719 -1.302 -8.889 1.00 2.23 H new ATOM 0 HG21 VAL A 72 -8.102 -3.821 -7.765 1.00 73.02 H new ATOM 0 HG22 VAL A 72 -7.326 -2.587 -6.744 1.00 73.02 H new ATOM 0 HG23 VAL A 72 -9.029 -3.026 -6.471 1.00 73.02 H new ATOM 1089 N ASP A 73 -7.696 1.478 -8.234 1.00 1.13 N ATOM 1090 CA ASP A 73 -7.409 2.613 -9.103 1.00 54.50 C ATOM 1091 C ASP A 73 -6.350 2.251 -10.139 1.00 2.02 C ATOM 1092 O ASP A 73 -5.825 1.137 -10.142 1.00 11.20 O ATOM 1093 CB ASP A 73 -6.942 3.812 -8.275 1.00 74.23 C ATOM 1094 CG ASP A 73 -7.580 5.111 -8.726 1.00 75.03 C ATOM 1095 OD1 ASP A 73 -8.735 5.375 -8.329 1.00 61.31 O ATOM 1096 OD2 ASP A 73 -6.925 5.864 -9.476 1.00 11.42 O ATOM 0 H ASP A 73 -7.039 1.361 -7.463 1.00 1.13 H new ATOM 0 HA ASP A 73 -8.327 2.879 -9.627 1.00 54.50 H new ATOM 0 HB2 ASP A 73 -7.179 3.639 -7.225 1.00 74.23 H new ATOM 0 HB3 ASP A 73 -5.858 3.899 -8.347 1.00 74.23 H new ATOM 1101 N PHE A 74 -6.040 3.199 -11.018 1.00 34.52 N ATOM 1102 CA PHE A 74 -5.045 2.978 -12.060 1.00 40.55 C ATOM 1103 C PHE A 74 -3.707 2.561 -11.456 1.00 54.21 C ATOM 1104 O PHE A 74 -2.961 1.784 -12.051 1.00 22.20 O ATOM 1105 CB PHE A 74 -4.865 4.246 -12.899 1.00 74.52 C ATOM 1106 CG PHE A 74 -3.790 4.127 -13.941 1.00 51.22 C ATOM 1107 CD1 PHE A 74 -3.579 2.929 -14.605 1.00 2.33 C ATOM 1108 CD2 PHE A 74 -2.991 5.214 -14.258 1.00 21.14 C ATOM 1109 CE1 PHE A 74 -2.589 2.818 -15.563 1.00 75.33 C ATOM 1110 CE2 PHE A 74 -2.000 5.108 -15.216 1.00 13.43 C ATOM 1111 CZ PHE A 74 -1.800 3.909 -15.870 1.00 71.21 C ATOM 0 H PHE A 74 -6.464 4.127 -11.029 1.00 34.52 H new ATOM 0 HA PHE A 74 -5.401 2.172 -12.702 1.00 40.55 H new ATOM 0 HB2 PHE A 74 -5.809 4.486 -13.388 1.00 74.52 H new ATOM 0 HB3 PHE A 74 -4.628 5.079 -12.237 1.00 74.52 H new ATOM 0 HD1 PHE A 74 -4.195 2.073 -14.371 1.00 2.33 H new ATOM 0 HD2 PHE A 74 -3.144 6.155 -13.751 1.00 21.14 H new ATOM 0 HE1 PHE A 74 -2.432 1.878 -16.071 1.00 75.33 H new ATOM 0 HE2 PHE A 74 -1.383 5.962 -15.452 1.00 13.43 H new ATOM 0 HZ PHE A 74 -1.028 3.824 -16.620 1.00 71.21 H new ATOM 1121 N ASP A 75 -3.412 3.084 -10.271 1.00 61.12 N ATOM 1122 CA ASP A 75 -2.165 2.766 -9.585 1.00 1.31 C ATOM 1123 C ASP A 75 -2.174 1.327 -9.080 1.00 30.21 C ATOM 1124 O ASP A 75 -1.334 0.517 -9.471 1.00 2.24 O ATOM 1125 CB ASP A 75 -1.941 3.728 -8.417 1.00 14.20 C ATOM 1126 CG ASP A 75 -1.787 5.166 -8.873 1.00 20.15 C ATOM 1127 OD1 ASP A 75 -1.051 5.402 -9.854 1.00 1.03 O ATOM 1128 OD2 ASP A 75 -2.403 6.055 -8.248 1.00 62.14 O ATOM 0 H ASP A 75 -4.019 3.730 -9.766 1.00 61.12 H new ATOM 0 HA ASP A 75 -1.348 2.876 -10.298 1.00 1.31 H new ATOM 0 HB2 ASP A 75 -2.781 3.657 -7.725 1.00 14.20 H new ATOM 0 HB3 ASP A 75 -1.049 3.427 -7.868 1.00 14.20 H new ATOM 1133 N GLU A 76 -3.129 1.016 -8.209 1.00 11.52 N ATOM 1134 CA GLU A 76 -3.245 -0.325 -7.649 1.00 74.14 C ATOM 1135 C GLU A 76 -3.484 -1.355 -8.750 1.00 41.21 C ATOM 1136 O GLU A 76 -3.060 -2.505 -8.641 1.00 23.13 O ATOM 1137 CB GLU A 76 -4.385 -0.379 -6.629 1.00 64.44 C ATOM 1138 CG GLU A 76 -4.232 0.617 -5.493 1.00 10.23 C ATOM 1139 CD GLU A 76 -5.557 1.212 -5.056 1.00 60.42 C ATOM 1140 OE1 GLU A 76 -6.537 0.448 -4.933 1.00 33.41 O ATOM 1141 OE2 GLU A 76 -5.614 2.440 -4.838 1.00 61.31 O ATOM 0 H GLU A 76 -3.833 1.675 -7.876 1.00 11.52 H new ATOM 0 HA GLU A 76 -2.307 -0.564 -7.148 1.00 74.14 H new ATOM 0 HB2 GLU A 76 -5.329 -0.191 -7.141 1.00 64.44 H new ATOM 0 HB3 GLU A 76 -4.442 -1.385 -6.214 1.00 64.44 H new ATOM 0 HG2 GLU A 76 -3.762 0.123 -4.643 1.00 10.23 H new ATOM 0 HG3 GLU A 76 -3.563 1.419 -5.806 1.00 10.23 H new ATOM 1148 N TRP A 77 -4.166 -0.933 -9.809 1.00 4.33 N ATOM 1149 CA TRP A 77 -4.461 -1.818 -10.930 1.00 15.24 C ATOM 1150 C TRP A 77 -3.188 -2.190 -11.680 1.00 43.35 C ATOM 1151 O TRP A 77 -2.929 -3.366 -11.941 1.00 14.33 O ATOM 1152 CB TRP A 77 -5.455 -1.152 -11.883 1.00 64.15 C ATOM 1153 CG TRP A 77 -6.011 -2.090 -12.912 1.00 23.13 C ATOM 1154 CD1 TRP A 77 -7.212 -2.738 -12.865 1.00 62.53 C ATOM 1155 CD2 TRP A 77 -5.386 -2.486 -14.138 1.00 11.33 C ATOM 1156 NE1 TRP A 77 -7.371 -3.513 -13.989 1.00 34.53 N ATOM 1157 CE2 TRP A 77 -6.266 -3.375 -14.785 1.00 63.14 C ATOM 1158 CE3 TRP A 77 -4.171 -2.174 -14.752 1.00 45.25 C ATOM 1159 CZ2 TRP A 77 -5.966 -3.955 -16.015 1.00 43.22 C ATOM 1160 CZ3 TRP A 77 -3.874 -2.750 -15.973 1.00 31.11 C ATOM 1161 CH2 TRP A 77 -4.769 -3.632 -16.594 1.00 44.32 C ATOM 0 H TRP A 77 -4.525 0.016 -9.915 1.00 4.33 H new ATOM 0 HA TRP A 77 -4.905 -2.731 -10.533 1.00 15.24 H new ATOM 0 HB2 TRP A 77 -6.277 -0.731 -11.304 1.00 64.15 H new ATOM 0 HB3 TRP A 77 -4.962 -0.321 -12.388 1.00 64.15 H new ATOM 0 HD1 TRP A 77 -7.931 -2.654 -12.063 1.00 62.53 H new ATOM 0 HE1 TRP A 77 -8.181 -4.097 -14.196 1.00 34.53 H new ATOM 0 HE3 TRP A 77 -3.476 -1.495 -14.281 1.00 45.25 H new ATOM 0 HZ2 TRP A 77 -6.654 -4.636 -16.495 1.00 43.22 H new ATOM 0 HZ3 TRP A 77 -2.937 -2.517 -16.456 1.00 31.11 H new ATOM 0 HH2 TRP A 77 -4.509 -4.065 -17.548 1.00 44.32 H new ATOM 1172 N LEU A 78 -2.394 -1.182 -12.026 1.00 54.13 N ATOM 1173 CA LEU A 78 -1.146 -1.404 -12.748 1.00 0.33 C ATOM 1174 C LEU A 78 -0.274 -2.425 -12.025 1.00 65.10 C ATOM 1175 O LEU A 78 0.159 -3.415 -12.615 1.00 25.23 O ATOM 1176 CB LEU A 78 -0.384 -0.086 -12.906 1.00 34.53 C ATOM 1177 CG LEU A 78 0.293 0.139 -14.258 1.00 54.40 C ATOM 1178 CD1 LEU A 78 0.635 1.609 -14.445 1.00 4.25 C ATOM 1179 CD2 LEU A 78 1.542 -0.721 -14.379 1.00 72.24 C ATOM 0 H LEU A 78 -2.592 -0.203 -11.818 1.00 54.13 H new ATOM 0 HA LEU A 78 -1.390 -1.796 -13.735 1.00 0.33 H new ATOM 0 HB2 LEU A 78 -1.078 0.735 -12.728 1.00 34.53 H new ATOM 0 HB3 LEU A 78 0.377 -0.034 -12.128 1.00 34.53 H new ATOM 0 HG LEU A 78 -0.402 -0.154 -15.044 1.00 54.40 H new ATOM 0 HD11 LEU A 78 1.116 1.750 -15.413 1.00 4.25 H new ATOM 0 HD12 LEU A 78 -0.278 2.203 -14.403 1.00 4.25 H new ATOM 0 HD13 LEU A 78 1.312 1.929 -13.653 1.00 4.25 H new ATOM 0 HD21 LEU A 78 2.011 -0.548 -15.348 1.00 72.24 H new ATOM 0 HD22 LEU A 78 2.242 -0.460 -13.585 1.00 72.24 H new ATOM 0 HD23 LEU A 78 1.270 -1.773 -14.291 1.00 72.24 H new ATOM 1191 N VAL A 79 -0.021 -2.179 -10.743 1.00 42.34 N ATOM 1192 CA VAL A 79 0.797 -3.078 -9.939 1.00 31.43 C ATOM 1193 C VAL A 79 0.155 -4.457 -9.832 1.00 70.12 C ATOM 1194 O VAL A 79 0.845 -5.463 -9.667 1.00 53.22 O ATOM 1195 CB VAL A 79 1.021 -2.517 -8.522 1.00 35.52 C ATOM 1196 CG1 VAL A 79 1.699 -1.158 -8.587 1.00 11.43 C ATOM 1197 CG2 VAL A 79 -0.299 -2.429 -7.770 1.00 1.10 C ATOM 0 H VAL A 79 -0.371 -1.364 -10.239 1.00 42.34 H new ATOM 0 HA VAL A 79 1.759 -3.166 -10.443 1.00 31.43 H new ATOM 0 HB VAL A 79 1.677 -3.197 -7.980 1.00 35.52 H new ATOM 0 HG11 VAL A 79 1.849 -0.778 -7.577 1.00 11.43 H new ATOM 0 HG12 VAL A 79 2.664 -1.256 -9.085 1.00 11.43 H new ATOM 0 HG13 VAL A 79 1.071 -0.464 -9.146 1.00 11.43 H new ATOM 0 HG21 VAL A 79 -0.123 -2.031 -6.771 1.00 1.10 H new ATOM 0 HG22 VAL A 79 -0.981 -1.771 -8.308 1.00 1.10 H new ATOM 0 HG23 VAL A 79 -0.740 -3.423 -7.692 1.00 1.10 H new ATOM 1207 N MET A 80 -1.170 -4.496 -9.928 1.00 40.12 N ATOM 1208 CA MET A 80 -1.905 -5.752 -9.844 1.00 74.32 C ATOM 1209 C MET A 80 -1.390 -6.754 -10.873 1.00 52.31 C ATOM 1210 O MET A 80 -1.151 -7.918 -10.554 1.00 1.21 O ATOM 1211 CB MET A 80 -3.401 -5.508 -10.057 1.00 64.13 C ATOM 1212 CG MET A 80 -4.281 -6.627 -9.525 1.00 11.35 C ATOM 1213 SD MET A 80 -5.861 -6.737 -10.386 1.00 13.12 S ATOM 1214 CE MET A 80 -6.252 -5.002 -10.599 1.00 35.10 C ATOM 0 H MET A 80 -1.756 -3.672 -10.064 1.00 40.12 H new ATOM 0 HA MET A 80 -1.750 -6.168 -8.849 1.00 74.32 H new ATOM 0 HB2 MET A 80 -3.681 -4.574 -9.570 1.00 64.13 H new ATOM 0 HB3 MET A 80 -3.592 -5.382 -11.123 1.00 64.13 H new ATOM 0 HG2 MET A 80 -3.753 -7.576 -9.620 1.00 11.35 H new ATOM 0 HG3 MET A 80 -4.461 -6.468 -8.462 1.00 11.35 H new ATOM 0 HE1 MET A 80 -7.318 -4.891 -10.799 1.00 35.10 H new ATOM 0 HE2 MET A 80 -5.994 -4.457 -9.691 1.00 35.10 H new ATOM 0 HE3 MET A 80 -5.682 -4.601 -11.437 1.00 35.10 H new ATOM 1224 N MET A 81 -1.222 -6.293 -12.108 1.00 51.33 N ATOM 1225 CA MET A 81 -0.734 -7.149 -13.183 1.00 53.13 C ATOM 1226 C MET A 81 0.716 -7.555 -12.940 1.00 13.25 C ATOM 1227 O MET A 81 1.119 -8.672 -13.260 1.00 23.42 O ATOM 1228 CB MET A 81 -0.856 -6.433 -14.530 1.00 13.23 C ATOM 1229 CG MET A 81 -1.211 -7.360 -15.681 1.00 51.31 C ATOM 1230 SD MET A 81 -2.879 -8.030 -15.544 1.00 54.14 S ATOM 1231 CE MET A 81 -3.851 -6.525 -15.559 1.00 21.22 C ATOM 0 H MET A 81 -1.416 -5.332 -12.389 1.00 51.33 H new ATOM 0 HA MET A 81 -1.347 -8.050 -13.202 1.00 53.13 H new ATOM 0 HB2 MET A 81 -1.617 -5.656 -14.452 1.00 13.23 H new ATOM 0 HB3 MET A 81 0.087 -5.934 -14.754 1.00 13.23 H new ATOM 0 HG2 MET A 81 -1.118 -6.817 -16.622 1.00 51.31 H new ATOM 0 HG3 MET A 81 -0.495 -8.181 -15.715 1.00 51.31 H new ATOM 0 HE1 MET A 81 -4.740 -6.672 -16.173 1.00 21.22 H new ATOM 0 HE2 MET A 81 -4.150 -6.275 -14.541 1.00 21.22 H new ATOM 0 HE3 MET A 81 -3.255 -5.711 -15.972 1.00 21.22 H new ATOM 1241 N ALA A 82 1.494 -6.640 -12.371 1.00 42.33 N ATOM 1242 CA ALA A 82 2.898 -6.904 -12.083 1.00 45.23 C ATOM 1243 C ALA A 82 3.054 -8.121 -11.178 1.00 12.45 C ATOM 1244 O ALA A 82 4.003 -8.893 -11.317 1.00 15.34 O ATOM 1245 CB ALA A 82 3.545 -5.683 -11.446 1.00 1.11 C ATOM 0 H ALA A 82 1.176 -5.710 -12.100 1.00 42.33 H new ATOM 0 HA ALA A 82 3.402 -7.118 -13.025 1.00 45.23 H new ATOM 0 HB1 ALA A 82 4.594 -5.895 -11.236 1.00 1.11 H new ATOM 0 HB2 ALA A 82 3.475 -4.836 -12.129 1.00 1.11 H new ATOM 0 HB3 ALA A 82 3.030 -5.442 -10.516 1.00 1.11 H new ATOM 1251 N ARG A 83 2.117 -8.285 -10.250 1.00 33.15 N ATOM 1252 CA ARG A 83 2.151 -9.407 -9.320 1.00 21.44 C ATOM 1253 C ARG A 83 2.044 -10.735 -10.065 1.00 2.40 C ATOM 1254 O ARG A 83 2.484 -11.773 -9.570 1.00 31.11 O ATOM 1255 CB ARG A 83 1.015 -9.289 -8.302 1.00 2.12 C ATOM 1256 CG ARG A 83 -0.262 -9.993 -8.730 1.00 11.31 C ATOM 1257 CD ARG A 83 -1.487 -9.368 -8.080 1.00 41.14 C ATOM 1258 NE ARG A 83 -1.808 -9.995 -6.801 1.00 73.44 N ATOM 1259 CZ ARG A 83 -2.987 -9.876 -6.200 1.00 24.22 C ATOM 1260 NH1 ARG A 83 -3.950 -9.157 -6.759 1.00 33.33 N ATOM 1261 NH2 ARG A 83 -3.203 -10.477 -5.037 1.00 21.32 N ATOM 0 H ARG A 83 1.325 -7.655 -10.122 1.00 33.15 H new ATOM 0 HA ARG A 83 3.105 -9.381 -8.794 1.00 21.44 H new ATOM 0 HB2 ARG A 83 1.347 -9.704 -7.350 1.00 2.12 H new ATOM 0 HB3 ARG A 83 0.799 -8.234 -8.132 1.00 2.12 H new ATOM 0 HG2 ARG A 83 -0.360 -9.945 -9.815 1.00 11.31 H new ATOM 0 HG3 ARG A 83 -0.205 -11.048 -8.462 1.00 11.31 H new ATOM 0 HD2 ARG A 83 -1.313 -8.303 -7.928 1.00 41.14 H new ATOM 0 HD3 ARG A 83 -2.340 -9.459 -8.752 1.00 41.14 H new ATOM 0 HE ARG A 83 -1.088 -10.555 -6.344 1.00 73.44 H new ATOM 0 HH11 ARG A 83 -3.787 -8.693 -7.653 1.00 33.33 H new ATOM 0 HH12 ARG A 83 -4.854 -9.067 -6.295 1.00 33.33 H new ATOM 0 HH21 ARG A 83 -2.464 -11.031 -4.604 1.00 21.32 H new ATOM 0 HH22 ARG A 83 -4.108 -10.385 -4.576 1.00 21.32 H new ATOM 1275 N CYS A 84 1.457 -10.692 -11.256 1.00 24.51 N ATOM 1276 CA CYS A 84 1.291 -11.892 -12.069 1.00 42.12 C ATOM 1277 C CYS A 84 2.636 -12.384 -12.593 1.00 64.12 C ATOM 1278 O CYS A 84 2.773 -13.540 -12.992 1.00 74.23 O ATOM 1279 CB CYS A 84 0.346 -11.613 -13.239 1.00 33.45 C ATOM 1280 SG CYS A 84 -0.500 -13.082 -13.870 1.00 0.51 S ATOM 0 H CYS A 84 1.088 -9.841 -11.680 1.00 24.51 H new ATOM 0 HA CYS A 84 0.860 -12.671 -11.440 1.00 42.12 H new ATOM 0 HB2 CYS A 84 -0.401 -10.884 -12.923 1.00 33.45 H new ATOM 0 HB3 CYS A 84 0.914 -11.157 -14.050 1.00 33.45 H new ATOM 0 HG CYS A 84 -1.278 -12.745 -14.856 1.00 0.51 H new ATOM 1286 N MET A 85 3.627 -11.498 -12.590 1.00 72.01 N ATOM 1287 CA MET A 85 4.962 -11.843 -13.066 1.00 14.13 C ATOM 1288 C MET A 85 5.741 -12.600 -11.995 1.00 63.24 C ATOM 1289 O MET A 85 6.634 -13.389 -12.305 1.00 22.43 O ATOM 1290 CB MET A 85 5.724 -10.580 -13.471 1.00 0.12 C ATOM 1291 CG MET A 85 6.650 -10.054 -12.386 1.00 34.35 C ATOM 1292 SD MET A 85 7.406 -8.477 -12.822 1.00 12.34 S ATOM 1293 CE MET A 85 5.971 -7.405 -12.833 1.00 12.12 C ATOM 0 H MET A 85 3.531 -10.536 -12.263 1.00 72.01 H new ATOM 0 HA MET A 85 4.855 -12.489 -13.938 1.00 14.13 H new ATOM 0 HB2 MET A 85 6.309 -10.790 -14.366 1.00 0.12 H new ATOM 0 HB3 MET A 85 5.007 -9.802 -13.734 1.00 0.12 H new ATOM 0 HG2 MET A 85 6.088 -9.939 -11.459 1.00 34.35 H new ATOM 0 HG3 MET A 85 7.433 -10.788 -12.195 1.00 34.35 H new ATOM 0 HE1 MET A 85 6.234 -6.450 -13.289 1.00 12.12 H new ATOM 0 HE2 MET A 85 5.171 -7.873 -13.407 1.00 12.12 H new ATOM 0 HE3 MET A 85 5.634 -7.238 -11.810 1.00 12.12 H new ATOM 1303 N LYS A 86 5.399 -12.355 -10.735 1.00 54.23 N ATOM 1304 CA LYS A 86 6.065 -13.014 -9.618 1.00 42.25 C ATOM 1305 C LYS A 86 7.557 -13.172 -9.892 1.00 64.43 C ATOM 1306 O LYS A 86 8.112 -14.262 -9.751 1.00 33.54 O ATOM 1307 CB LYS A 86 5.435 -14.384 -9.358 1.00 42.03 C ATOM 1308 CG LYS A 86 4.211 -14.330 -8.461 1.00 22.14 C ATOM 1309 CD LYS A 86 2.965 -14.804 -9.189 1.00 35.35 C ATOM 1310 CE LYS A 86 2.651 -16.258 -8.868 1.00 14.53 C ATOM 1311 NZ LYS A 86 3.571 -17.192 -9.572 1.00 22.41 N ATOM 0 H LYS A 86 4.663 -11.704 -10.461 1.00 54.23 H new ATOM 0 HA LYS A 86 5.940 -12.390 -8.733 1.00 42.25 H new ATOM 0 HB2 LYS A 86 5.157 -14.834 -10.311 1.00 42.03 H new ATOM 0 HB3 LYS A 86 6.180 -15.037 -8.903 1.00 42.03 H new ATOM 0 HG2 LYS A 86 4.377 -14.950 -7.580 1.00 22.14 H new ATOM 0 HG3 LYS A 86 4.062 -13.309 -8.109 1.00 22.14 H new ATOM 0 HD2 LYS A 86 2.118 -14.177 -8.909 1.00 35.35 H new ATOM 0 HD3 LYS A 86 3.105 -14.690 -10.264 1.00 35.35 H new ATOM 0 HE2 LYS A 86 2.726 -16.417 -7.792 1.00 14.53 H new ATOM 0 HE3 LYS A 86 1.622 -16.479 -9.152 1.00 14.53 H new ATOM 0 HZ1 LYS A 86 3.325 -18.172 -9.327 1.00 22.41 H new ATOM 0 HZ2 LYS A 86 3.482 -17.059 -10.600 1.00 22.41 H new ATOM 0 HZ3 LYS A 86 4.551 -16.999 -9.282 1.00 22.41 H new ATOM 1325 N ASP A 87 8.202 -12.079 -10.283 1.00 52.45 N ATOM 1326 CA ASP A 87 9.631 -12.096 -10.575 1.00 13.04 C ATOM 1327 C ASP A 87 10.445 -12.224 -9.291 1.00 42.42 C ATOM 1328 O ASP A 87 11.518 -12.828 -9.282 1.00 51.35 O ATOM 1329 CB ASP A 87 10.035 -10.827 -11.326 1.00 42.31 C ATOM 1330 CG ASP A 87 11.497 -10.833 -11.729 1.00 33.32 C ATOM 1331 OD1 ASP A 87 12.361 -10.846 -10.827 1.00 50.21 O ATOM 1332 OD2 ASP A 87 11.776 -10.827 -12.946 1.00 4.13 O ATOM 0 H ASP A 87 7.758 -11.169 -10.405 1.00 52.45 H new ATOM 0 HA ASP A 87 9.839 -12.962 -11.204 1.00 13.04 H new ATOM 0 HB2 ASP A 87 9.416 -10.723 -12.217 1.00 42.31 H new ATOM 0 HB3 ASP A 87 9.838 -9.958 -10.698 1.00 42.31 H new ATOM 1337 N ASP A 88 9.929 -11.650 -8.210 1.00 22.13 N ATOM 1338 CA ASP A 88 10.609 -11.699 -6.920 1.00 74.42 C ATOM 1339 C ASP A 88 11.983 -11.043 -7.005 1.00 10.04 C ATOM 1340 O ASP A 88 12.960 -11.553 -6.456 1.00 0.50 O ATOM 1341 CB ASP A 88 10.749 -13.148 -6.449 1.00 44.30 C ATOM 1342 CG ASP A 88 10.819 -13.261 -4.939 1.00 3.01 C ATOM 1343 OD1 ASP A 88 9.934 -12.700 -4.260 1.00 10.42 O ATOM 1344 OD2 ASP A 88 11.759 -13.912 -4.436 1.00 51.30 O ATOM 0 H ASP A 88 9.043 -11.145 -8.201 1.00 22.13 H new ATOM 0 HA ASP A 88 10.007 -11.147 -6.198 1.00 74.42 H new ATOM 0 HB2 ASP A 88 9.903 -13.729 -6.815 1.00 44.30 H new ATOM 0 HB3 ASP A 88 11.648 -13.584 -6.885 1.00 44.30 H new ATOM 1349 N SER A 89 12.051 -9.910 -7.696 1.00 54.14 N ATOM 1350 CA SER A 89 13.306 -9.186 -7.857 1.00 22.10 C ATOM 1351 C SER A 89 13.553 -8.257 -6.672 1.00 61.22 C ATOM 1352 O SER A 89 14.684 -7.815 -6.478 1.00 25.34 O ATOM 1353 CB SER A 89 13.292 -8.380 -9.157 1.00 60.12 C ATOM 1354 OG SER A 89 14.264 -7.349 -9.129 1.00 32.12 O ATOM 0 H SER A 89 11.251 -9.473 -8.154 1.00 54.14 H new ATOM 0 HA SER A 89 14.115 -9.916 -7.899 1.00 22.10 H new ATOM 0 HB2 SER A 89 13.484 -9.042 -10.001 1.00 60.12 H new ATOM 0 HB3 SER A 89 12.303 -7.948 -9.310 1.00 60.12 H new ATOM 0 HG SER A 89 14.236 -6.850 -9.972 1.00 32.12 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -7.935 2.401 -3.493 1.00 44.30 CA