USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=17 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.212 (180deg=0.103) USER MOD Single : A 5 TYR OH : rot 180:sc=-0.000111 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.2) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 16 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.1!) USER MOD Single : A 17 LYS NZ :NH3+ -114:sc= 0.194 (180deg=-0.0301) USER MOD Single : A 18 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.55) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.0293 (180deg=-0.284) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.861 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 175:sc= -1.45 (180deg=-1.58) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.789 X(o=-0.79,f=-0.93) USER MOD Single : A 51 ASN : amide:sc= -0.91 K(o=-0.91,f=-5.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.312 USER MOD Single : A 71 THR OG1 : rot -170:sc= 0 USER MOD Single : A 80 MET CE :methyl 154:sc= -2.12 (180deg=-3.35) USER MOD Single : A 81 MET CE :methyl -115:sc= -1.55 (180deg=-2.44!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 0.681 (180deg=0.658) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.205 -2.958 2.277 1.00 61.03 N ATOM 2 CA MET A 1 3.971 -2.353 1.194 1.00 44.15 C ATOM 3 C MET A 1 4.804 -3.403 0.464 1.00 54.40 C ATOM 4 O MET A 1 5.606 -4.108 1.076 1.00 10.33 O ATOM 5 CB MET A 1 4.883 -1.251 1.738 1.00 35.23 C ATOM 6 CG MET A 1 4.218 0.115 1.793 1.00 44.04 C ATOM 7 SD MET A 1 3.159 0.316 3.238 1.00 24.41 S ATOM 8 CE MET A 1 4.335 0.944 4.435 1.00 61.54 C ATOM 0 H1 MET A 1 2.909 -2.220 2.947 1.00 61.03 H new ATOM 0 H2 MET A 1 2.364 -3.428 1.887 1.00 61.03 H new ATOM 0 H3 MET A 1 3.795 -3.658 2.771 1.00 61.03 H new ATOM 0 HA MET A 1 3.267 -1.916 0.486 1.00 44.15 H new ATOM 0 HB2 MET A 1 5.214 -1.526 2.740 1.00 35.23 H new ATOM 0 HB3 MET A 1 5.775 -1.187 1.114 1.00 35.23 H new ATOM 0 HG2 MET A 1 4.986 0.888 1.800 1.00 44.04 H new ATOM 0 HG3 MET A 1 3.625 0.263 0.890 1.00 44.04 H new ATOM 0 HE1 MET A 1 3.829 1.119 5.385 1.00 61.54 H new ATOM 0 HE2 MET A 1 5.133 0.216 4.578 1.00 61.54 H new ATOM 0 HE3 MET A 1 4.759 1.880 4.072 1.00 61.54 H new ATOM 18 N ASP A 2 4.607 -3.501 -0.846 1.00 60.01 N ATOM 19 CA ASP A 2 5.340 -4.465 -1.659 1.00 41.51 C ATOM 20 C ASP A 2 6.245 -3.754 -2.660 1.00 44.51 C ATOM 21 O ASP A 2 5.897 -3.606 -3.832 1.00 14.35 O ATOM 22 CB ASP A 2 4.368 -5.386 -2.397 1.00 33.01 C ATOM 23 CG ASP A 2 3.318 -5.976 -1.476 1.00 55.13 C ATOM 24 OD1 ASP A 2 3.681 -6.802 -0.613 1.00 23.00 O ATOM 25 OD2 ASP A 2 2.132 -5.611 -1.618 1.00 50.24 O ATOM 0 H ASP A 2 3.946 -2.925 -1.368 1.00 60.01 H new ATOM 0 HA ASP A 2 5.963 -5.064 -0.995 1.00 41.51 H new ATOM 0 HB2 ASP A 2 3.876 -4.827 -3.193 1.00 33.01 H new ATOM 0 HB3 ASP A 2 4.926 -6.193 -2.872 1.00 33.01 H new ATOM 30 N ASP A 3 7.408 -3.315 -2.191 1.00 10.44 N ATOM 31 CA ASP A 3 8.364 -2.619 -3.044 1.00 53.35 C ATOM 32 C ASP A 3 8.852 -3.529 -4.167 1.00 43.43 C ATOM 33 O ASP A 3 9.290 -3.056 -5.216 1.00 44.53 O ATOM 34 CB ASP A 3 9.552 -2.124 -2.218 1.00 61.15 C ATOM 35 CG ASP A 3 10.560 -1.360 -3.054 1.00 40.22 C ATOM 36 OD1 ASP A 3 11.450 -2.005 -3.648 1.00 11.32 O ATOM 37 OD2 ASP A 3 10.458 -0.117 -3.115 1.00 44.14 O ATOM 0 H ASP A 3 7.711 -3.429 -1.224 1.00 10.44 H new ATOM 0 HA ASP A 3 7.860 -1.761 -3.489 1.00 53.35 H new ATOM 0 HB2 ASP A 3 9.190 -1.483 -1.415 1.00 61.15 H new ATOM 0 HB3 ASP A 3 10.045 -2.976 -1.749 1.00 61.15 H new ATOM 42 N ILE A 4 8.775 -4.835 -3.939 1.00 33.30 N ATOM 43 CA ILE A 4 9.209 -5.811 -4.931 1.00 40.43 C ATOM 44 C ILE A 4 8.379 -5.705 -6.206 1.00 51.11 C ATOM 45 O ILE A 4 8.874 -5.958 -7.305 1.00 30.35 O ATOM 46 CB ILE A 4 9.113 -7.248 -4.387 1.00 72.32 C ATOM 47 CG1 ILE A 4 9.632 -8.245 -5.425 1.00 73.43 C ATOM 48 CG2 ILE A 4 7.677 -7.574 -4.003 1.00 23.20 C ATOM 49 CD1 ILE A 4 10.437 -9.377 -4.826 1.00 43.02 C ATOM 0 H ILE A 4 8.416 -5.242 -3.076 1.00 33.30 H new ATOM 0 HA ILE A 4 10.251 -5.587 -5.159 1.00 40.43 H new ATOM 0 HB ILE A 4 9.734 -7.325 -3.494 1.00 72.32 H new ATOM 0 HG12 ILE A 4 8.786 -8.661 -5.972 1.00 73.43 H new ATOM 0 HG13 ILE A 4 10.250 -7.714 -6.149 1.00 73.43 H new ATOM 0 HG21 ILE A 4 7.625 -8.593 -3.620 1.00 23.20 H new ATOM 0 HG22 ILE A 4 7.340 -6.880 -3.233 1.00 23.20 H new ATOM 0 HG23 ILE A 4 7.036 -7.483 -4.880 1.00 23.20 H new ATOM 0 HD11 ILE A 4 10.773 -10.045 -5.620 1.00 43.02 H new ATOM 0 HD12 ILE A 4 11.303 -8.971 -4.303 1.00 43.02 H new ATOM 0 HD13 ILE A 4 9.816 -9.932 -4.123 1.00 43.02 H new ATOM 61 N TYR A 5 7.115 -5.327 -6.052 1.00 74.44 N ATOM 62 CA TYR A 5 6.215 -5.188 -7.191 1.00 73.42 C ATOM 63 C TYR A 5 6.386 -3.827 -7.857 1.00 54.44 C ATOM 64 O TYR A 5 6.384 -3.717 -9.084 1.00 11.03 O ATOM 65 CB TYR A 5 4.763 -5.372 -6.746 1.00 71.21 C ATOM 66 CG TYR A 5 4.463 -6.755 -6.214 1.00 22.41 C ATOM 67 CD1 TYR A 5 4.998 -7.885 -6.820 1.00 74.52 C ATOM 68 CD2 TYR A 5 3.646 -6.932 -5.104 1.00 3.11 C ATOM 69 CE1 TYR A 5 4.726 -9.151 -6.338 1.00 13.02 C ATOM 70 CE2 TYR A 5 3.370 -8.194 -4.614 1.00 2.44 C ATOM 71 CZ TYR A 5 3.912 -9.300 -5.234 1.00 52.12 C ATOM 72 OH TYR A 5 3.640 -10.559 -4.750 1.00 13.13 O ATOM 0 H TYR A 5 6.690 -5.111 -5.150 1.00 74.44 H new ATOM 0 HA TYR A 5 6.466 -5.961 -7.917 1.00 73.42 H new ATOM 0 HB2 TYR A 5 4.532 -4.637 -5.975 1.00 71.21 H new ATOM 0 HB3 TYR A 5 4.104 -5.166 -7.590 1.00 71.21 H new ATOM 0 HD1 TYR A 5 5.638 -7.772 -7.683 1.00 74.52 H new ATOM 0 HD2 TYR A 5 3.219 -6.068 -4.616 1.00 3.11 H new ATOM 0 HE1 TYR A 5 5.148 -10.019 -6.823 1.00 13.02 H new ATOM 0 HE2 TYR A 5 2.733 -8.314 -3.750 1.00 2.44 H new ATOM 0 HH TYR A 5 3.053 -10.489 -3.969 1.00 13.13 H new ATOM 82 N LYS A 6 6.534 -2.790 -7.040 1.00 12.22 N ATOM 83 CA LYS A 6 6.708 -1.434 -7.547 1.00 1.23 C ATOM 84 C LYS A 6 7.963 -1.332 -8.408 1.00 73.12 C ATOM 85 O LYS A 6 7.968 -0.655 -9.436 1.00 70.51 O ATOM 86 CB LYS A 6 6.792 -0.440 -6.386 1.00 31.12 C ATOM 87 CG LYS A 6 5.475 -0.247 -5.654 1.00 52.34 C ATOM 88 CD LYS A 6 5.645 -0.394 -4.152 1.00 34.03 C ATOM 89 CE LYS A 6 4.784 0.605 -3.393 1.00 62.20 C ATOM 90 NZ LYS A 6 3.491 0.007 -2.961 1.00 33.13 N ATOM 0 H LYS A 6 6.537 -2.863 -6.023 1.00 12.22 H new ATOM 0 HA LYS A 6 5.844 -1.190 -8.165 1.00 1.23 H new ATOM 0 HB2 LYS A 6 7.545 -0.785 -5.677 1.00 31.12 H new ATOM 0 HB3 LYS A 6 7.131 0.523 -6.767 1.00 31.12 H new ATOM 0 HG2 LYS A 6 5.073 0.741 -5.881 1.00 52.34 H new ATOM 0 HG3 LYS A 6 4.749 -0.977 -6.012 1.00 52.34 H new ATOM 0 HD2 LYS A 6 5.378 -1.407 -3.852 1.00 34.03 H new ATOM 0 HD3 LYS A 6 6.692 -0.248 -3.887 1.00 34.03 H new ATOM 0 HE2 LYS A 6 5.328 0.963 -2.519 1.00 62.20 H new ATOM 0 HE3 LYS A 6 4.590 1.471 -4.025 1.00 62.20 H new ATOM 0 HZ1 LYS A 6 2.934 0.719 -2.448 1.00 33.13 H new ATOM 0 HZ2 LYS A 6 2.960 -0.312 -3.796 1.00 33.13 H new ATOM 0 HZ3 LYS A 6 3.675 -0.804 -2.337 1.00 33.13 H new ATOM 104 N ALA A 7 9.024 -2.010 -7.983 1.00 12.13 N ATOM 105 CA ALA A 7 10.283 -1.998 -8.717 1.00 74.45 C ATOM 106 C ALA A 7 10.102 -2.558 -10.124 1.00 42.15 C ATOM 107 O ALA A 7 10.739 -2.098 -11.072 1.00 23.42 O ATOM 108 CB ALA A 7 11.341 -2.791 -7.964 1.00 12.40 C ATOM 0 H ALA A 7 9.036 -2.575 -7.134 1.00 12.13 H new ATOM 0 HA ALA A 7 10.614 -0.963 -8.805 1.00 74.45 H new ATOM 0 HB1 ALA A 7 12.276 -2.773 -8.524 1.00 12.40 H new ATOM 0 HB2 ALA A 7 11.498 -2.346 -6.981 1.00 12.40 H new ATOM 0 HB3 ALA A 7 11.008 -3.822 -7.847 1.00 12.40 H new ATOM 114 N ALA A 8 9.231 -3.553 -10.253 1.00 54.13 N ATOM 115 CA ALA A 8 8.966 -4.174 -11.545 1.00 52.01 C ATOM 116 C ALA A 8 8.003 -3.330 -12.373 1.00 14.01 C ATOM 117 O ALA A 8 8.009 -3.389 -13.603 1.00 32.14 O ATOM 118 CB ALA A 8 8.409 -5.577 -11.352 1.00 43.21 C ATOM 0 H ALA A 8 8.697 -3.947 -9.478 1.00 54.13 H new ATOM 0 HA ALA A 8 9.909 -4.240 -12.088 1.00 52.01 H new ATOM 0 HB1 ALA A 8 8.216 -6.029 -12.325 1.00 43.21 H new ATOM 0 HB2 ALA A 8 9.132 -6.184 -10.807 1.00 43.21 H new ATOM 0 HB3 ALA A 8 7.479 -5.525 -10.785 1.00 43.21 H new ATOM 124 N VAL A 9 7.175 -2.545 -11.691 1.00 12.21 N ATOM 125 CA VAL A 9 6.206 -1.688 -12.364 1.00 34.14 C ATOM 126 C VAL A 9 6.889 -0.492 -13.016 1.00 43.03 C ATOM 127 O VAL A 9 6.640 -0.182 -14.181 1.00 25.41 O ATOM 128 CB VAL A 9 5.131 -1.180 -11.384 1.00 51.33 C ATOM 129 CG1 VAL A 9 4.126 -0.295 -12.106 1.00 70.12 C ATOM 130 CG2 VAL A 9 4.433 -2.349 -10.705 1.00 45.14 C ATOM 0 H VAL A 9 7.156 -2.485 -10.673 1.00 12.21 H new ATOM 0 HA VAL A 9 5.729 -2.294 -13.134 1.00 34.14 H new ATOM 0 HB VAL A 9 5.619 -0.582 -10.615 1.00 51.33 H new ATOM 0 HG11 VAL A 9 3.374 0.054 -11.398 1.00 70.12 H new ATOM 0 HG12 VAL A 9 4.642 0.562 -12.540 1.00 70.12 H new ATOM 0 HG13 VAL A 9 3.641 -0.866 -12.898 1.00 70.12 H new ATOM 0 HG21 VAL A 9 3.677 -1.971 -10.016 1.00 45.14 H new ATOM 0 HG22 VAL A 9 3.956 -2.976 -11.459 1.00 45.14 H new ATOM 0 HG23 VAL A 9 5.165 -2.939 -10.153 1.00 45.14 H new ATOM 140 N GLU A 10 7.752 0.176 -12.257 1.00 43.35 N ATOM 141 CA GLU A 10 8.472 1.339 -12.763 1.00 51.41 C ATOM 142 C GLU A 10 9.453 0.937 -13.861 1.00 12.42 C ATOM 143 O GLU A 10 9.789 1.740 -14.731 1.00 1.45 O ATOM 144 CB GLU A 10 9.220 2.038 -11.626 1.00 24.21 C ATOM 145 CG GLU A 10 8.480 3.236 -11.056 1.00 45.41 C ATOM 146 CD GLU A 10 9.362 4.465 -10.941 1.00 14.10 C ATOM 147 OE1 GLU A 10 10.361 4.412 -10.194 1.00 72.41 O ATOM 148 OE2 GLU A 10 9.051 5.481 -11.599 1.00 23.44 O ATOM 0 H GLU A 10 7.969 -0.068 -11.291 1.00 43.35 H new ATOM 0 HA GLU A 10 7.743 2.029 -13.187 1.00 51.41 H new ATOM 0 HB2 GLU A 10 9.401 1.320 -10.826 1.00 24.21 H new ATOM 0 HB3 GLU A 10 10.195 2.363 -11.990 1.00 24.21 H new ATOM 0 HG2 GLU A 10 7.624 3.466 -11.691 1.00 45.41 H new ATOM 0 HG3 GLU A 10 8.088 2.981 -10.071 1.00 45.41 H new ATOM 155 N GLN A 11 9.907 -0.311 -13.812 1.00 5.41 N ATOM 156 CA GLN A 11 10.851 -0.819 -14.801 1.00 55.21 C ATOM 157 C GLN A 11 10.116 -1.432 -15.989 1.00 20.44 C ATOM 158 O GLN A 11 10.720 -2.105 -16.825 1.00 72.13 O ATOM 159 CB GLN A 11 11.777 -1.858 -14.167 1.00 12.01 C ATOM 160 CG GLN A 11 11.200 -3.265 -14.162 1.00 42.50 C ATOM 161 CD GLN A 11 12.039 -4.236 -13.356 1.00 21.31 C ATOM 162 OE1 GLN A 11 12.504 -3.914 -12.262 1.00 72.10 O ATOM 163 NE2 GLN A 11 12.237 -5.434 -13.893 1.00 25.51 N ATOM 0 H GLN A 11 9.637 -0.989 -13.099 1.00 5.41 H new ATOM 0 HA GLN A 11 11.449 0.019 -15.160 1.00 55.21 H new ATOM 0 HB2 GLN A 11 12.725 -1.865 -14.706 1.00 12.01 H new ATOM 0 HB3 GLN A 11 11.995 -1.560 -13.141 1.00 12.01 H new ATOM 0 HG2 GLN A 11 10.190 -3.238 -13.754 1.00 42.50 H new ATOM 0 HG3 GLN A 11 11.120 -3.625 -15.188 1.00 42.50 H new ATOM 0 HE21 GLN A 11 11.833 -5.658 -14.802 1.00 25.51 H new ATOM 0 HE22 GLN A 11 12.793 -6.130 -13.396 1.00 25.51 H new ATOM 172 N LEU A 12 8.810 -1.197 -16.056 1.00 44.30 N ATOM 173 CA LEU A 12 7.992 -1.726 -17.142 1.00 25.54 C ATOM 174 C LEU A 12 8.357 -1.069 -18.469 1.00 20.11 C ATOM 175 O LEU A 12 9.224 -0.197 -18.525 1.00 45.31 O ATOM 176 CB LEU A 12 6.508 -1.508 -16.842 1.00 5.02 C ATOM 177 CG LEU A 12 5.872 -2.486 -15.854 1.00 2.05 C ATOM 178 CD1 LEU A 12 4.442 -2.075 -15.541 1.00 52.35 C ATOM 179 CD2 LEU A 12 5.913 -3.904 -16.405 1.00 3.31 C ATOM 0 H LEU A 12 8.295 -0.644 -15.371 1.00 44.30 H new ATOM 0 HA LEU A 12 8.186 -2.796 -17.222 1.00 25.54 H new ATOM 0 HB2 LEU A 12 6.381 -0.497 -16.454 1.00 5.02 H new ATOM 0 HB3 LEU A 12 5.957 -1.561 -17.781 1.00 5.02 H new ATOM 0 HG LEU A 12 6.446 -2.461 -14.928 1.00 2.05 H new ATOM 0 HD11 LEU A 12 4.006 -2.783 -14.836 1.00 52.35 H new ATOM 0 HD12 LEU A 12 4.438 -1.077 -15.102 1.00 52.35 H new ATOM 0 HD13 LEU A 12 3.856 -2.070 -16.460 1.00 52.35 H new ATOM 0 HD21 LEU A 12 5.456 -4.586 -15.688 1.00 3.31 H new ATOM 0 HD22 LEU A 12 5.364 -3.945 -17.346 1.00 3.31 H new ATOM 0 HD23 LEU A 12 6.949 -4.198 -16.576 1.00 3.31 H new ATOM 191 N THR A 13 7.687 -1.492 -19.537 1.00 2.04 N ATOM 192 CA THR A 13 7.939 -0.944 -20.863 1.00 64.24 C ATOM 193 C THR A 13 6.815 -0.009 -21.295 1.00 64.30 C ATOM 194 O THR A 13 5.695 -0.100 -20.795 1.00 12.31 O ATOM 195 CB THR A 13 8.094 -2.061 -21.912 1.00 72.55 C ATOM 196 OG1 THR A 13 8.166 -1.494 -23.225 1.00 74.33 O ATOM 197 CG2 THR A 13 6.929 -3.037 -21.839 1.00 61.31 C ATOM 0 H THR A 13 6.966 -2.213 -19.509 1.00 2.04 H new ATOM 0 HA THR A 13 8.871 -0.382 -20.801 1.00 64.24 H new ATOM 0 HB THR A 13 9.016 -2.603 -21.700 1.00 72.55 H new ATOM 0 HG1 THR A 13 8.266 -2.211 -23.886 1.00 74.33 H new ATOM 0 HG21 THR A 13 7.060 -3.817 -22.589 1.00 61.31 H new ATOM 0 HG22 THR A 13 6.895 -3.489 -20.848 1.00 61.31 H new ATOM 0 HG23 THR A 13 5.996 -2.505 -22.028 1.00 61.31 H new ATOM 205 N GLU A 14 7.123 0.888 -22.227 1.00 33.32 N ATOM 206 CA GLU A 14 6.137 1.839 -22.725 1.00 55.21 C ATOM 207 C GLU A 14 4.856 1.125 -23.146 1.00 74.33 C ATOM 208 O GLU A 14 3.754 1.632 -22.939 1.00 33.41 O ATOM 209 CB GLU A 14 6.706 2.627 -23.907 1.00 25.33 C ATOM 210 CG GLU A 14 8.037 3.297 -23.606 1.00 54.15 C ATOM 211 CD GLU A 14 8.392 4.368 -24.620 1.00 22.42 C ATOM 212 OE1 GLU A 14 8.994 4.024 -25.659 1.00 21.33 O ATOM 213 OE2 GLU A 14 8.069 5.549 -24.374 1.00 61.53 O ATOM 0 H GLU A 14 8.046 0.976 -22.652 1.00 33.32 H new ATOM 0 HA GLU A 14 5.898 2.531 -21.917 1.00 55.21 H new ATOM 0 HB2 GLU A 14 6.831 1.954 -24.755 1.00 25.33 H new ATOM 0 HB3 GLU A 14 5.985 3.388 -24.207 1.00 25.33 H new ATOM 0 HG2 GLU A 14 7.999 3.741 -22.611 1.00 54.15 H new ATOM 0 HG3 GLU A 14 8.824 2.543 -23.589 1.00 54.15 H new ATOM 220 N GLU A 15 5.011 -0.055 -23.739 1.00 55.14 N ATOM 221 CA GLU A 15 3.867 -0.838 -24.191 1.00 35.20 C ATOM 222 C GLU A 15 3.026 -1.306 -23.006 1.00 70.35 C ATOM 223 O GLU A 15 1.797 -1.319 -23.072 1.00 21.14 O ATOM 224 CB GLU A 15 4.336 -2.045 -25.006 1.00 23.23 C ATOM 225 CG GLU A 15 5.388 -1.704 -26.048 1.00 53.02 C ATOM 226 CD GLU A 15 5.409 -2.690 -27.200 1.00 54.21 C ATOM 227 OE1 GLU A 15 4.403 -2.760 -27.938 1.00 24.40 O ATOM 228 OE2 GLU A 15 6.429 -3.391 -27.364 1.00 1.53 O ATOM 0 H GLU A 15 5.917 -0.489 -23.917 1.00 55.14 H new ATOM 0 HA GLU A 15 3.250 -0.200 -24.823 1.00 35.20 H new ATOM 0 HB2 GLU A 15 4.739 -2.797 -24.327 1.00 23.23 H new ATOM 0 HB3 GLU A 15 3.476 -2.493 -25.503 1.00 23.23 H new ATOM 0 HG2 GLU A 15 5.199 -0.703 -26.435 1.00 53.02 H new ATOM 0 HG3 GLU A 15 6.370 -1.683 -25.575 1.00 53.02 H new ATOM 235 N GLN A 16 3.698 -1.690 -21.926 1.00 64.32 N ATOM 236 CA GLN A 16 3.014 -2.160 -20.728 1.00 33.42 C ATOM 237 C GLN A 16 2.120 -1.069 -20.148 1.00 71.20 C ATOM 238 O GLN A 16 0.906 -1.240 -20.036 1.00 31.44 O ATOM 239 CB GLN A 16 4.030 -2.614 -19.679 1.00 24.31 C ATOM 240 CG GLN A 16 4.452 -4.067 -19.829 1.00 21.00 C ATOM 241 CD GLN A 16 3.461 -5.030 -19.205 1.00 2.20 C ATOM 242 OE1 GLN A 16 2.291 -5.067 -19.586 1.00 33.44 O ATOM 243 NE2 GLN A 16 3.926 -5.815 -18.240 1.00 72.45 N ATOM 0 H GLN A 16 4.716 -1.685 -21.856 1.00 64.32 H new ATOM 0 HA GLN A 16 2.388 -3.007 -21.007 1.00 33.42 H new ATOM 0 HB2 GLN A 16 4.914 -1.979 -19.743 1.00 24.31 H new ATOM 0 HB3 GLN A 16 3.604 -2.469 -18.686 1.00 24.31 H new ATOM 0 HG2 GLN A 16 4.563 -4.302 -20.888 1.00 21.00 H new ATOM 0 HG3 GLN A 16 5.429 -4.207 -19.367 1.00 21.00 H new ATOM 0 HE21 GLN A 16 4.904 -5.750 -17.956 1.00 72.45 H new ATOM 0 HE22 GLN A 16 3.306 -6.483 -17.783 1.00 72.45 H new ATOM 252 N LYS A 17 2.728 0.054 -19.781 1.00 20.45 N ATOM 253 CA LYS A 17 1.988 1.174 -19.213 1.00 3.52 C ATOM 254 C LYS A 17 0.848 1.596 -20.134 1.00 12.02 C ATOM 255 O LYS A 17 -0.243 1.931 -19.673 1.00 44.12 O ATOM 256 CB LYS A 17 2.925 2.359 -18.969 1.00 5.52 C ATOM 257 CG LYS A 17 3.257 2.581 -17.503 1.00 63.32 C ATOM 258 CD LYS A 17 4.134 1.467 -16.956 1.00 31.14 C ATOM 259 CE LYS A 17 4.729 1.839 -15.606 1.00 64.42 C ATOM 260 NZ LYS A 17 6.125 2.341 -15.735 1.00 64.34 N ATOM 0 H LYS A 17 3.732 0.212 -19.867 1.00 20.45 H new ATOM 0 HA LYS A 17 1.563 0.852 -18.262 1.00 3.52 H new ATOM 0 HB2 LYS A 17 3.851 2.199 -19.522 1.00 5.52 H new ATOM 0 HB3 LYS A 17 2.466 3.263 -19.370 1.00 5.52 H new ATOM 0 HG2 LYS A 17 3.766 3.538 -17.385 1.00 63.32 H new ATOM 0 HG3 LYS A 17 2.335 2.637 -16.924 1.00 63.32 H new ATOM 0 HD2 LYS A 17 3.546 0.555 -16.857 1.00 31.14 H new ATOM 0 HD3 LYS A 17 4.936 1.254 -17.662 1.00 31.14 H new ATOM 0 HE2 LYS A 17 4.110 2.603 -15.134 1.00 64.42 H new ATOM 0 HE3 LYS A 17 4.715 0.968 -14.951 1.00 64.42 H new ATOM 0 HZ1 LYS A 17 6.778 1.674 -15.276 1.00 64.34 H new ATOM 0 HZ2 LYS A 17 6.371 2.429 -16.742 1.00 64.34 H new ATOM 0 HZ3 LYS A 17 6.203 3.272 -15.277 1.00 64.34 H new ATOM 274 N ASN A 18 1.107 1.575 -21.437 1.00 42.31 N ATOM 275 CA ASN A 18 0.101 1.955 -22.423 1.00 24.33 C ATOM 276 C ASN A 18 -1.043 0.946 -22.448 1.00 62.14 C ATOM 277 O ASN A 18 -2.180 1.292 -22.765 1.00 74.54 O ATOM 278 CB ASN A 18 0.734 2.061 -23.812 1.00 55.30 C ATOM 279 CG ASN A 18 1.337 3.429 -24.069 1.00 72.44 C ATOM 280 OD1 ASN A 18 0.734 4.455 -23.754 1.00 21.31 O ATOM 281 ND2 ASN A 18 2.533 3.448 -24.646 1.00 0.33 N ATOM 0 H ASN A 18 2.005 1.299 -21.835 1.00 42.31 H new ATOM 0 HA ASN A 18 -0.302 2.927 -22.140 1.00 24.33 H new ATOM 0 HB2 ASN A 18 1.508 1.300 -23.915 1.00 55.30 H new ATOM 0 HB3 ASN A 18 -0.021 1.852 -24.570 1.00 55.30 H new ATOM 0 HD21 ASN A 18 2.989 4.338 -24.845 1.00 0.33 H new ATOM 0 HD22 ASN A 18 2.996 2.572 -24.890 1.00 0.33 H new ATOM 288 N GLU A 19 -0.732 -0.302 -22.112 1.00 21.02 N ATOM 289 CA GLU A 19 -1.735 -1.361 -22.097 1.00 4.34 C ATOM 290 C GLU A 19 -2.658 -1.218 -20.890 1.00 70.21 C ATOM 291 O GLU A 19 -3.881 -1.197 -21.029 1.00 72.44 O ATOM 292 CB GLU A 19 -1.059 -2.733 -22.076 1.00 62.41 C ATOM 293 CG GLU A 19 -0.747 -3.279 -23.459 1.00 42.14 C ATOM 294 CD GLU A 19 -1.984 -3.769 -24.186 1.00 32.31 C ATOM 295 OE1 GLU A 19 -3.098 -3.578 -23.655 1.00 12.04 O ATOM 296 OE2 GLU A 19 -1.839 -4.344 -25.285 1.00 20.23 O ATOM 0 H GLU A 19 0.205 -0.604 -21.847 1.00 21.02 H new ATOM 0 HA GLU A 19 -2.334 -1.273 -23.003 1.00 4.34 H new ATOM 0 HB2 GLU A 19 -0.133 -2.664 -21.505 1.00 62.41 H new ATOM 0 HB3 GLU A 19 -1.704 -3.439 -21.553 1.00 62.41 H new ATOM 0 HG2 GLU A 19 -0.266 -2.502 -24.052 1.00 42.14 H new ATOM 0 HG3 GLU A 19 -0.034 -4.099 -23.369 1.00 42.14 H new ATOM 303 N PHE A 20 -2.063 -1.121 -19.706 1.00 15.24 N ATOM 304 CA PHE A 20 -2.832 -0.982 -18.474 1.00 5.12 C ATOM 305 C PHE A 20 -3.614 0.328 -18.466 1.00 33.12 C ATOM 306 O PHE A 20 -4.806 0.351 -18.156 1.00 62.14 O ATOM 307 CB PHE A 20 -1.903 -1.042 -17.259 1.00 42.52 C ATOM 308 CG PHE A 20 -1.014 -2.252 -17.243 1.00 71.31 C ATOM 309 CD1 PHE A 20 -1.464 -3.465 -17.739 1.00 72.13 C ATOM 310 CD2 PHE A 20 0.271 -2.178 -16.731 1.00 43.40 C ATOM 311 CE1 PHE A 20 -0.649 -4.581 -17.726 1.00 62.12 C ATOM 312 CE2 PHE A 20 1.091 -3.290 -16.716 1.00 22.12 C ATOM 313 CZ PHE A 20 0.630 -4.494 -17.213 1.00 3.42 C ATOM 0 H PHE A 20 -1.052 -1.136 -19.573 1.00 15.24 H new ATOM 0 HA PHE A 20 -3.541 -1.808 -18.422 1.00 5.12 H new ATOM 0 HB2 PHE A 20 -1.283 -0.146 -17.241 1.00 42.52 H new ATOM 0 HB3 PHE A 20 -2.505 -1.031 -16.350 1.00 42.52 H new ATOM 0 HD1 PHE A 20 -2.464 -3.539 -18.141 1.00 72.13 H new ATOM 0 HD2 PHE A 20 0.636 -1.240 -16.339 1.00 43.40 H new ATOM 0 HE1 PHE A 20 -1.012 -5.520 -18.117 1.00 62.12 H new ATOM 0 HE2 PHE A 20 2.092 -3.218 -16.316 1.00 22.12 H new ATOM 0 HZ PHE A 20 1.269 -5.365 -17.200 1.00 3.42 H new ATOM 323 N LYS A 21 -2.936 1.418 -18.808 1.00 24.23 N ATOM 324 CA LYS A 21 -3.565 2.733 -18.841 1.00 71.42 C ATOM 325 C LYS A 21 -4.781 2.730 -19.762 1.00 13.21 C ATOM 326 O LYS A 21 -5.765 3.425 -19.508 1.00 21.41 O ATOM 327 CB LYS A 21 -2.561 3.790 -19.307 1.00 74.44 C ATOM 328 CG LYS A 21 -2.973 5.211 -18.967 1.00 54.45 C ATOM 329 CD LYS A 21 -2.332 6.218 -19.908 1.00 23.12 C ATOM 330 CE LYS A 21 -0.909 6.549 -19.483 1.00 52.02 C ATOM 331 NZ LYS A 21 -0.876 7.334 -18.218 1.00 34.51 N ATOM 0 H LYS A 21 -1.949 1.417 -19.067 1.00 24.23 H new ATOM 0 HA LYS A 21 -3.896 2.976 -17.831 1.00 71.42 H new ATOM 0 HB2 LYS A 21 -1.592 3.583 -18.853 1.00 74.44 H new ATOM 0 HB3 LYS A 21 -2.432 3.706 -20.386 1.00 74.44 H new ATOM 0 HG2 LYS A 21 -4.058 5.299 -19.022 1.00 54.45 H new ATOM 0 HG3 LYS A 21 -2.687 5.438 -17.940 1.00 54.45 H new ATOM 0 HD2 LYS A 21 -2.327 5.818 -20.922 1.00 23.12 H new ATOM 0 HD3 LYS A 21 -2.929 7.130 -19.928 1.00 23.12 H new ATOM 0 HE2 LYS A 21 -0.345 5.625 -19.352 1.00 52.02 H new ATOM 0 HE3 LYS A 21 -0.416 7.114 -20.274 1.00 52.02 H new ATOM 0 HZ1 LYS A 21 0.045 7.809 -18.128 1.00 34.51 H new ATOM 0 HZ2 LYS A 21 -1.634 8.046 -18.232 1.00 34.51 H new ATOM 0 HZ3 LYS A 21 -1.016 6.695 -17.409 1.00 34.51 H new ATOM 345 N ALA A 22 -4.707 1.944 -20.831 1.00 30.12 N ATOM 346 CA ALA A 22 -5.803 1.849 -21.787 1.00 33.12 C ATOM 347 C ALA A 22 -6.886 0.899 -21.287 1.00 73.33 C ATOM 348 O ALA A 22 -8.043 1.288 -21.132 1.00 74.14 O ATOM 349 CB ALA A 22 -5.283 1.394 -23.142 1.00 74.14 C ATOM 0 H ALA A 22 -3.899 1.364 -21.057 1.00 30.12 H new ATOM 0 HA ALA A 22 -6.246 2.839 -21.894 1.00 33.12 H new ATOM 0 HB1 ALA A 22 -6.112 1.327 -23.846 1.00 74.14 H new ATOM 0 HB2 ALA A 22 -4.551 2.112 -23.511 1.00 74.14 H new ATOM 0 HB3 ALA A 22 -4.813 0.416 -23.042 1.00 74.14 H new ATOM 355 N ALA A 23 -6.503 -0.349 -21.038 1.00 31.22 N ATOM 356 CA ALA A 23 -7.442 -1.354 -20.555 1.00 24.43 C ATOM 357 C ALA A 23 -8.163 -0.874 -19.300 1.00 53.22 C ATOM 358 O ALA A 23 -9.291 -1.284 -19.025 1.00 20.10 O ATOM 359 CB ALA A 23 -6.717 -2.664 -20.280 1.00 53.02 C ATOM 0 H ALA A 23 -5.549 -0.688 -21.163 1.00 31.22 H new ATOM 0 HA ALA A 23 -8.189 -1.520 -21.331 1.00 24.43 H new ATOM 0 HB1 ALA A 23 -7.430 -3.406 -19.920 1.00 53.02 H new ATOM 0 HB2 ALA A 23 -6.253 -3.023 -21.199 1.00 53.02 H new ATOM 0 HB3 ALA A 23 -5.948 -2.503 -19.524 1.00 53.02 H new ATOM 365 N PHE A 24 -7.506 -0.002 -18.542 1.00 62.52 N ATOM 366 CA PHE A 24 -8.085 0.533 -17.315 1.00 65.24 C ATOM 367 C PHE A 24 -9.204 1.521 -17.628 1.00 74.12 C ATOM 368 O PHE A 24 -10.161 1.654 -16.864 1.00 63.03 O ATOM 369 CB PHE A 24 -7.005 1.217 -16.474 1.00 15.32 C ATOM 370 CG PHE A 24 -7.550 1.943 -15.276 1.00 64.15 C ATOM 371 CD1 PHE A 24 -7.702 1.289 -14.064 1.00 41.42 C ATOM 372 CD2 PHE A 24 -7.908 3.278 -15.363 1.00 51.41 C ATOM 373 CE1 PHE A 24 -8.203 1.955 -12.961 1.00 71.43 C ATOM 374 CE2 PHE A 24 -8.409 3.949 -14.263 1.00 55.03 C ATOM 375 CZ PHE A 24 -8.556 3.286 -13.061 1.00 11.34 C ATOM 0 H PHE A 24 -6.573 0.349 -18.756 1.00 62.52 H new ATOM 0 HA PHE A 24 -8.506 -0.297 -16.748 1.00 65.24 H new ATOM 0 HB2 PHE A 24 -6.287 0.468 -16.140 1.00 15.32 H new ATOM 0 HB3 PHE A 24 -6.460 1.923 -17.101 1.00 15.32 H new ATOM 0 HD1 PHE A 24 -7.426 0.248 -13.980 1.00 41.42 H new ATOM 0 HD2 PHE A 24 -7.794 3.801 -16.301 1.00 51.41 H new ATOM 0 HE1 PHE A 24 -8.318 1.434 -12.022 1.00 71.43 H new ATOM 0 HE2 PHE A 24 -8.685 4.990 -14.344 1.00 55.03 H new ATOM 0 HZ PHE A 24 -8.947 3.808 -12.200 1.00 11.34 H new ATOM 385 N ASP A 25 -9.078 2.212 -18.756 1.00 22.52 N ATOM 386 CA ASP A 25 -10.079 3.187 -19.171 1.00 44.52 C ATOM 387 C ASP A 25 -11.405 2.504 -19.490 1.00 24.11 C ATOM 388 O ASP A 25 -12.471 2.988 -19.109 1.00 22.02 O ATOM 389 CB ASP A 25 -9.586 3.967 -20.392 1.00 31.14 C ATOM 390 CG ASP A 25 -10.257 5.320 -20.524 1.00 0.03 C ATOM 391 OD1 ASP A 25 -10.143 6.134 -19.583 1.00 22.42 O ATOM 392 OD2 ASP A 25 -10.895 5.566 -21.568 1.00 74.22 O ATOM 0 H ASP A 25 -8.292 2.115 -19.399 1.00 22.52 H new ATOM 0 HA ASP A 25 -10.238 3.881 -18.346 1.00 44.52 H new ATOM 0 HB2 ASP A 25 -8.507 4.105 -20.320 1.00 31.14 H new ATOM 0 HB3 ASP A 25 -9.773 3.382 -21.293 1.00 31.14 H new ATOM 397 N ILE A 26 -11.330 1.378 -20.191 1.00 74.13 N ATOM 398 CA ILE A 26 -12.525 0.629 -20.561 1.00 23.51 C ATOM 399 C ILE A 26 -13.224 0.066 -19.328 1.00 61.42 C ATOM 400 O ILE A 26 -14.453 0.035 -19.258 1.00 63.41 O ATOM 401 CB ILE A 26 -12.189 -0.529 -21.520 1.00 41.41 C ATOM 402 CG1 ILE A 26 -11.491 0.005 -22.773 1.00 22.31 C ATOM 403 CG2 ILE A 26 -13.452 -1.290 -21.894 1.00 41.24 C ATOM 404 CD1 ILE A 26 -9.988 -0.170 -22.748 1.00 15.31 C ATOM 0 H ILE A 26 -10.455 0.964 -20.514 1.00 74.13 H new ATOM 0 HA ILE A 26 -13.192 1.327 -21.067 1.00 23.51 H new ATOM 0 HB ILE A 26 -11.511 -1.216 -21.014 1.00 41.41 H new ATOM 0 HG12 ILE A 26 -11.894 -0.505 -23.648 1.00 22.31 H new ATOM 0 HG13 ILE A 26 -11.724 1.064 -22.885 1.00 22.31 H new ATOM 0 HG21 ILE A 26 -13.198 -2.105 -22.572 1.00 41.24 H new ATOM 0 HG22 ILE A 26 -13.912 -1.697 -20.993 1.00 41.24 H new ATOM 0 HG23 ILE A 26 -14.152 -0.614 -22.385 1.00 41.24 H new ATOM 0 HD11 ILE A 26 -9.560 0.231 -23.667 1.00 15.31 H new ATOM 0 HD12 ILE A 26 -9.574 0.363 -21.892 1.00 15.31 H new ATOM 0 HD13 ILE A 26 -9.746 -1.230 -22.667 1.00 15.31 H new ATOM 416 N PHE A 27 -12.433 -0.377 -18.357 1.00 22.43 N ATOM 417 CA PHE A 27 -12.975 -0.939 -17.125 1.00 54.20 C ATOM 418 C PHE A 27 -13.783 0.106 -16.361 1.00 1.25 C ATOM 419 O PHE A 27 -14.936 -0.127 -15.998 1.00 52.24 O ATOM 420 CB PHE A 27 -11.846 -1.473 -16.242 1.00 61.10 C ATOM 421 CG PHE A 27 -11.444 -2.882 -16.571 1.00 23.54 C ATOM 422 CD1 PHE A 27 -11.151 -3.247 -17.875 1.00 31.21 C ATOM 423 CD2 PHE A 27 -11.358 -3.842 -15.575 1.00 62.42 C ATOM 424 CE1 PHE A 27 -10.782 -4.544 -18.180 1.00 4.41 C ATOM 425 CE2 PHE A 27 -10.988 -5.140 -15.874 1.00 75.41 C ATOM 426 CZ PHE A 27 -10.699 -5.491 -17.178 1.00 60.02 C ATOM 0 H PHE A 27 -11.414 -0.358 -18.399 1.00 22.43 H new ATOM 0 HA PHE A 27 -13.638 -1.762 -17.391 1.00 54.20 H new ATOM 0 HB2 PHE A 27 -10.977 -0.823 -16.344 1.00 61.10 H new ATOM 0 HB3 PHE A 27 -12.158 -1.427 -15.199 1.00 61.10 H new ATOM 0 HD1 PHE A 27 -11.212 -2.510 -18.662 1.00 31.21 H new ATOM 0 HD2 PHE A 27 -11.583 -3.573 -14.553 1.00 62.42 H new ATOM 0 HE1 PHE A 27 -10.559 -4.816 -19.201 1.00 4.41 H new ATOM 0 HE2 PHE A 27 -10.925 -5.879 -15.089 1.00 75.41 H new ATOM 0 HZ PHE A 27 -10.409 -6.504 -17.414 1.00 60.02 H new ATOM 436 N VAL A 28 -13.168 1.259 -16.118 1.00 3.32 N ATOM 437 CA VAL A 28 -13.828 2.341 -15.397 1.00 11.11 C ATOM 438 C VAL A 28 -14.673 3.193 -16.337 1.00 73.45 C ATOM 439 O VAL A 28 -15.242 4.207 -15.932 1.00 42.41 O ATOM 440 CB VAL A 28 -12.806 3.245 -14.682 1.00 51.24 C ATOM 441 CG1 VAL A 28 -11.919 2.423 -13.760 1.00 12.44 C ATOM 442 CG2 VAL A 28 -11.970 4.009 -15.698 1.00 0.42 C ATOM 0 H VAL A 28 -12.213 1.468 -16.410 1.00 3.32 H new ATOM 0 HA VAL A 28 -14.474 1.876 -14.652 1.00 11.11 H new ATOM 0 HB VAL A 28 -13.349 3.968 -14.074 1.00 51.24 H new ATOM 0 HG11 VAL A 28 -11.203 3.079 -13.264 1.00 12.44 H new ATOM 0 HG12 VAL A 28 -12.535 1.925 -13.011 1.00 12.44 H new ATOM 0 HG13 VAL A 28 -11.382 1.675 -14.343 1.00 12.44 H new ATOM 0 HG21 VAL A 28 -11.253 4.643 -15.176 1.00 0.42 H new ATOM 0 HG22 VAL A 28 -11.435 3.303 -16.334 1.00 0.42 H new ATOM 0 HG23 VAL A 28 -12.622 4.629 -16.313 1.00 0.42 H new ATOM 452 N LEU A 29 -14.753 2.773 -17.596 1.00 3.35 N ATOM 453 CA LEU A 29 -15.530 3.497 -18.596 1.00 2.24 C ATOM 454 C LEU A 29 -17.016 3.475 -18.252 1.00 24.24 C ATOM 455 O LEU A 29 -17.782 4.321 -18.710 1.00 12.14 O ATOM 456 CB LEU A 29 -15.306 2.890 -19.982 1.00 33.44 C ATOM 457 CG LEU A 29 -16.480 2.103 -20.567 1.00 24.44 C ATOM 458 CD1 LEU A 29 -17.442 3.035 -21.286 1.00 11.05 C ATOM 459 CD2 LEU A 29 -15.978 1.020 -21.511 1.00 24.13 C ATOM 0 H LEU A 29 -14.289 1.935 -17.948 1.00 3.35 H new ATOM 0 HA LEU A 29 -15.193 4.534 -18.602 1.00 2.24 H new ATOM 0 HB2 LEU A 29 -15.054 3.695 -20.673 1.00 33.44 H new ATOM 0 HB3 LEU A 29 -14.440 2.229 -19.932 1.00 33.44 H new ATOM 0 HG LEU A 29 -17.016 1.624 -19.748 1.00 24.44 H new ATOM 0 HD11 LEU A 29 -18.271 2.457 -21.696 1.00 11.05 H new ATOM 0 HD12 LEU A 29 -17.827 3.773 -20.583 1.00 11.05 H new ATOM 0 HD13 LEU A 29 -16.919 3.543 -22.096 1.00 11.05 H new ATOM 0 HD21 LEU A 29 -16.827 0.470 -21.918 1.00 24.13 H new ATOM 0 HD22 LEU A 29 -15.418 1.479 -22.326 1.00 24.13 H new ATOM 0 HD23 LEU A 29 -15.329 0.334 -20.966 1.00 24.13 H new ATOM 471 N GLY A 30 -17.415 2.501 -17.439 1.00 74.24 N ATOM 472 CA GLY A 30 -18.808 2.388 -17.046 1.00 24.23 C ATOM 473 C GLY A 30 -19.127 3.199 -15.806 1.00 53.41 C ATOM 474 O GLY A 30 -20.270 3.608 -15.601 1.00 21.30 O ATOM 0 H GLY A 30 -16.799 1.789 -17.046 1.00 74.24 H new ATOM 0 HA2 GLY A 30 -19.442 2.721 -17.867 1.00 24.23 H new ATOM 0 HA3 GLY A 30 -19.047 1.340 -16.863 1.00 24.23 H new ATOM 478 N ALA A 31 -18.116 3.433 -14.976 1.00 62.32 N ATOM 479 CA ALA A 31 -18.295 4.201 -13.751 1.00 22.15 C ATOM 480 C ALA A 31 -18.474 5.685 -14.054 1.00 31.42 C ATOM 481 O ALA A 31 -18.470 6.095 -15.214 1.00 25.31 O ATOM 482 CB ALA A 31 -17.111 3.990 -12.818 1.00 12.11 C ATOM 0 H ALA A 31 -17.164 3.101 -15.130 1.00 62.32 H new ATOM 0 HA ALA A 31 -19.200 3.846 -13.258 1.00 22.15 H new ATOM 0 HB1 ALA A 31 -17.258 4.570 -11.907 1.00 12.11 H new ATOM 0 HB2 ALA A 31 -17.030 2.933 -12.566 1.00 12.11 H new ATOM 0 HB3 ALA A 31 -16.196 4.316 -13.312 1.00 12.11 H new ATOM 488 N GLU A 32 -18.632 6.484 -13.003 1.00 74.23 N ATOM 489 CA GLU A 32 -18.815 7.922 -13.159 1.00 41.13 C ATOM 490 C GLU A 32 -17.559 8.679 -12.735 1.00 75.15 C ATOM 491 O GLU A 32 -17.138 9.626 -13.400 1.00 74.33 O ATOM 492 CB GLU A 32 -20.013 8.399 -12.336 1.00 34.30 C ATOM 493 CG GLU A 32 -20.542 9.758 -12.761 1.00 51.25 C ATOM 494 CD GLU A 32 -21.498 9.671 -13.936 1.00 5.23 C ATOM 495 OE1 GLU A 32 -22.485 8.912 -13.841 1.00 63.24 O ATOM 496 OE2 GLU A 32 -21.259 10.361 -14.948 1.00 45.53 O ATOM 0 H GLU A 32 -18.637 6.160 -12.036 1.00 74.23 H new ATOM 0 HA GLU A 32 -19.004 8.126 -14.213 1.00 41.13 H new ATOM 0 HB2 GLU A 32 -20.815 7.665 -12.418 1.00 34.30 H new ATOM 0 HB3 GLU A 32 -19.727 8.443 -11.285 1.00 34.30 H new ATOM 0 HG2 GLU A 32 -21.050 10.226 -11.918 1.00 51.25 H new ATOM 0 HG3 GLU A 32 -19.704 10.403 -13.026 1.00 51.25 H new ATOM 503 N ASP A 33 -16.967 8.255 -11.625 1.00 31.04 N ATOM 504 CA ASP A 33 -15.760 8.891 -11.111 1.00 44.42 C ATOM 505 C ASP A 33 -14.513 8.287 -11.750 1.00 52.12 C ATOM 506 O ASP A 33 -13.514 8.974 -11.957 1.00 51.44 O ATOM 507 CB ASP A 33 -15.689 8.748 -9.590 1.00 60.42 C ATOM 508 CG ASP A 33 -14.725 9.734 -8.960 1.00 34.44 C ATOM 509 OD1 ASP A 33 -14.581 10.850 -9.500 1.00 61.23 O ATOM 510 OD2 ASP A 33 -14.115 9.389 -7.926 1.00 30.13 O ATOM 0 H ASP A 33 -17.303 7.473 -11.063 1.00 31.04 H new ATOM 0 HA ASP A 33 -15.801 9.950 -11.366 1.00 44.42 H new ATOM 0 HB2 ASP A 33 -16.683 8.896 -9.167 1.00 60.42 H new ATOM 0 HB3 ASP A 33 -15.383 7.733 -9.337 1.00 60.42 H new ATOM 515 N GLY A 34 -14.579 6.996 -12.059 1.00 75.44 N ATOM 516 CA GLY A 34 -13.450 6.320 -12.670 1.00 44.12 C ATOM 517 C GLY A 34 -12.845 5.266 -11.764 1.00 2.53 C ATOM 518 O GLY A 34 -11.652 5.311 -11.458 1.00 74.14 O ATOM 0 H GLY A 34 -15.395 6.406 -11.897 1.00 75.44 H new ATOM 0 HA2 GLY A 34 -13.771 5.853 -13.601 1.00 44.12 H new ATOM 0 HA3 GLY A 34 -12.687 7.054 -12.928 1.00 44.12 H new ATOM 522 N CYS A 35 -13.668 4.318 -11.331 1.00 63.32 N ATOM 523 CA CYS A 35 -13.207 3.249 -10.452 1.00 34.04 C ATOM 524 C CYS A 35 -13.931 1.942 -10.759 1.00 52.20 C ATOM 525 O CYS A 35 -14.860 1.911 -11.567 1.00 31.02 O ATOM 526 CB CYS A 35 -13.426 3.635 -8.988 1.00 41.11 C ATOM 527 SG CYS A 35 -15.080 4.271 -8.632 1.00 14.25 S ATOM 0 H CYS A 35 -14.657 4.267 -11.574 1.00 63.32 H new ATOM 0 HA CYS A 35 -12.141 3.103 -10.627 1.00 34.04 H new ATOM 0 HB2 CYS A 35 -13.242 2.762 -8.362 1.00 41.11 H new ATOM 0 HB3 CYS A 35 -12.690 4.389 -8.708 1.00 41.11 H new ATOM 0 HG CYS A 35 -15.168 4.567 -7.369 1.00 14.25 H new ATOM 533 N ILE A 36 -13.499 0.866 -10.111 1.00 64.22 N ATOM 534 CA ILE A 36 -14.105 -0.444 -10.316 1.00 12.30 C ATOM 535 C ILE A 36 -14.477 -1.091 -8.986 1.00 70.35 C ATOM 536 O ILE A 36 -13.608 -1.411 -8.175 1.00 41.14 O ATOM 537 CB ILE A 36 -13.163 -1.386 -11.088 1.00 22.24 C ATOM 538 CG1 ILE A 36 -12.808 -0.785 -12.449 1.00 63.32 C ATOM 539 CG2 ILE A 36 -13.805 -2.755 -11.258 1.00 13.32 C ATOM 540 CD1 ILE A 36 -11.338 -0.889 -12.791 1.00 23.33 C ATOM 0 H ILE A 36 -12.731 0.875 -9.439 1.00 64.22 H new ATOM 0 HA ILE A 36 -15.008 -0.286 -10.905 1.00 12.30 H new ATOM 0 HB ILE A 36 -12.244 -1.506 -10.515 1.00 22.24 H new ATOM 0 HG12 ILE A 36 -13.389 -1.288 -13.222 1.00 63.32 H new ATOM 0 HG13 ILE A 36 -13.102 0.264 -12.462 1.00 63.32 H new ATOM 0 HG21 ILE A 36 -13.127 -3.409 -11.806 1.00 13.32 H new ATOM 0 HG22 ILE A 36 -14.011 -3.185 -10.278 1.00 13.32 H new ATOM 0 HG23 ILE A 36 -14.738 -2.653 -11.813 1.00 13.32 H new ATOM 0 HD11 ILE A 36 -11.160 -0.443 -13.769 1.00 23.33 H new ATOM 0 HD12 ILE A 36 -10.751 -0.361 -12.039 1.00 23.33 H new ATOM 0 HD13 ILE A 36 -11.042 -1.938 -12.811 1.00 23.33 H new ATOM 552 N SER A 37 -15.774 -1.284 -8.770 1.00 53.25 N ATOM 553 CA SER A 37 -16.262 -1.892 -7.538 1.00 52.12 C ATOM 554 C SER A 37 -16.343 -3.409 -7.676 1.00 62.20 C ATOM 555 O SER A 37 -16.523 -3.937 -8.774 1.00 54.42 O ATOM 556 CB SER A 37 -17.637 -1.328 -7.176 1.00 12.44 C ATOM 557 OG SER A 37 -18.600 -1.658 -8.161 1.00 51.34 O ATOM 0 H SER A 37 -16.506 -1.028 -9.432 1.00 53.25 H new ATOM 0 HA SER A 37 -15.558 -1.654 -6.741 1.00 52.12 H new ATOM 0 HB2 SER A 37 -17.952 -1.721 -6.209 1.00 12.44 H new ATOM 0 HB3 SER A 37 -17.574 -0.245 -7.074 1.00 12.44 H new ATOM 0 HG SER A 37 -19.470 -1.287 -7.905 1.00 51.34 H new ATOM 563 N THR A 38 -16.207 -4.107 -6.553 1.00 34.33 N ATOM 564 CA THR A 38 -16.263 -5.564 -6.546 1.00 54.44 C ATOM 565 C THR A 38 -17.550 -6.067 -7.190 1.00 32.21 C ATOM 566 O THR A 38 -17.603 -7.184 -7.706 1.00 52.31 O ATOM 567 CB THR A 38 -16.166 -6.123 -5.115 1.00 25.43 C ATOM 568 OG1 THR A 38 -16.491 -7.518 -5.111 1.00 1.14 O ATOM 569 CG2 THR A 38 -17.101 -5.376 -4.176 1.00 74.45 C ATOM 0 H THR A 38 -16.057 -3.687 -5.636 1.00 34.33 H new ATOM 0 HA THR A 38 -15.409 -5.916 -7.124 1.00 54.44 H new ATOM 0 HB THR A 38 -15.143 -5.988 -4.765 1.00 25.43 H new ATOM 0 HG1 THR A 38 -16.426 -7.867 -4.197 1.00 1.14 H new ATOM 0 HG21 THR A 38 -17.014 -5.789 -3.171 1.00 74.45 H new ATOM 0 HG22 THR A 38 -16.832 -4.320 -4.158 1.00 74.45 H new ATOM 0 HG23 THR A 38 -18.128 -5.483 -4.525 1.00 74.45 H new ATOM 577 N LYS A 39 -18.587 -5.237 -7.157 1.00 10.13 N ATOM 578 CA LYS A 39 -19.875 -5.596 -7.739 1.00 23.43 C ATOM 579 C LYS A 39 -19.758 -5.778 -9.249 1.00 3.33 C ATOM 580 O LYS A 39 -20.082 -6.838 -9.782 1.00 31.10 O ATOM 581 CB LYS A 39 -20.918 -4.522 -7.423 1.00 31.44 C ATOM 582 CG LYS A 39 -22.332 -5.065 -7.300 1.00 45.14 C ATOM 583 CD LYS A 39 -23.039 -5.086 -8.645 1.00 11.51 C ATOM 584 CE LYS A 39 -24.550 -5.020 -8.481 1.00 2.32 C ATOM 585 NZ LYS A 39 -25.103 -6.287 -7.928 1.00 14.21 N ATOM 0 H LYS A 39 -18.561 -4.310 -6.733 1.00 10.13 H new ATOM 0 HA LYS A 39 -20.193 -6.542 -7.300 1.00 23.43 H new ATOM 0 HB2 LYS A 39 -20.646 -4.026 -6.491 1.00 31.44 H new ATOM 0 HB3 LYS A 39 -20.896 -3.764 -8.206 1.00 31.44 H new ATOM 0 HG2 LYS A 39 -22.301 -6.074 -6.888 1.00 45.14 H new ATOM 0 HG3 LYS A 39 -22.899 -4.452 -6.599 1.00 45.14 H new ATOM 0 HD2 LYS A 39 -22.700 -4.244 -9.249 1.00 11.51 H new ATOM 0 HD3 LYS A 39 -22.770 -5.994 -9.185 1.00 11.51 H new ATOM 0 HE2 LYS A 39 -24.808 -4.192 -7.820 1.00 2.32 H new ATOM 0 HE3 LYS A 39 -25.012 -4.813 -9.447 1.00 2.32 H new ATOM 0 HZ1 LYS A 39 -26.135 -6.202 -7.831 1.00 14.21 H new ATOM 0 HZ2 LYS A 39 -24.879 -7.073 -8.571 1.00 14.21 H new ATOM 0 HZ3 LYS A 39 -24.682 -6.472 -6.995 1.00 14.21 H new ATOM 599 N GLU A 40 -19.291 -4.736 -9.931 1.00 32.41 N ATOM 600 CA GLU A 40 -19.131 -4.783 -11.380 1.00 13.24 C ATOM 601 C GLU A 40 -17.927 -5.636 -11.767 1.00 22.01 C ATOM 602 O GLU A 40 -17.952 -6.346 -12.773 1.00 53.13 O ATOM 603 CB GLU A 40 -18.971 -3.369 -11.943 1.00 30.22 C ATOM 604 CG GLU A 40 -19.980 -2.376 -11.391 1.00 22.13 C ATOM 605 CD GLU A 40 -21.402 -2.695 -11.810 1.00 42.21 C ATOM 606 OE1 GLU A 40 -21.942 -3.721 -11.346 1.00 40.53 O ATOM 607 OE2 GLU A 40 -21.974 -1.917 -12.602 1.00 73.45 O ATOM 0 H GLU A 40 -19.017 -3.851 -9.504 1.00 32.41 H new ATOM 0 HA GLU A 40 -20.027 -5.236 -11.805 1.00 13.24 H new ATOM 0 HB2 GLU A 40 -17.965 -3.012 -11.724 1.00 30.22 H new ATOM 0 HB3 GLU A 40 -19.067 -3.406 -13.028 1.00 30.22 H new ATOM 0 HG2 GLU A 40 -19.919 -2.369 -10.303 1.00 22.13 H new ATOM 0 HG3 GLU A 40 -19.721 -1.373 -11.732 1.00 22.13 H new ATOM 614 N LEU A 41 -16.873 -5.561 -10.962 1.00 1.02 N ATOM 615 CA LEU A 41 -15.657 -6.326 -11.219 1.00 54.54 C ATOM 616 C LEU A 41 -15.978 -7.801 -11.435 1.00 63.13 C ATOM 617 O LEU A 41 -15.279 -8.498 -12.170 1.00 42.51 O ATOM 618 CB LEU A 41 -14.677 -6.170 -10.055 1.00 51.34 C ATOM 619 CG LEU A 41 -13.370 -6.955 -10.169 1.00 42.43 C ATOM 620 CD1 LEU A 41 -12.809 -6.855 -11.579 1.00 64.22 C ATOM 621 CD2 LEU A 41 -12.355 -6.451 -9.153 1.00 33.32 C ATOM 0 H LEU A 41 -16.835 -4.978 -10.126 1.00 1.02 H new ATOM 0 HA LEU A 41 -15.197 -5.937 -12.127 1.00 54.54 H new ATOM 0 HB2 LEU A 41 -14.434 -5.113 -9.950 1.00 51.34 H new ATOM 0 HB3 LEU A 41 -15.182 -6.474 -9.138 1.00 51.34 H new ATOM 0 HG LEU A 41 -13.578 -8.003 -9.956 1.00 42.43 H new ATOM 0 HD11 LEU A 41 -11.879 -7.420 -11.641 1.00 64.22 H new ATOM 0 HD12 LEU A 41 -13.530 -7.264 -12.287 1.00 64.22 H new ATOM 0 HD13 LEU A 41 -12.616 -5.810 -11.820 1.00 64.22 H new ATOM 0 HD21 LEU A 41 -11.431 -7.021 -9.248 1.00 33.32 H new ATOM 0 HD22 LEU A 41 -12.151 -5.396 -9.335 1.00 33.32 H new ATOM 0 HD23 LEU A 41 -12.755 -6.575 -8.147 1.00 33.32 H new ATOM 633 N GLY A 42 -17.042 -8.271 -10.791 1.00 24.12 N ATOM 634 CA GLY A 42 -17.437 -9.661 -10.927 1.00 13.30 C ATOM 635 C GLY A 42 -17.763 -10.033 -12.360 1.00 12.12 C ATOM 636 O GLY A 42 -17.421 -11.123 -12.820 1.00 12.44 O ATOM 0 H GLY A 42 -17.637 -7.714 -10.178 1.00 24.12 H new ATOM 0 HA2 GLY A 42 -16.634 -10.301 -10.562 1.00 13.30 H new ATOM 0 HA3 GLY A 42 -18.307 -9.852 -10.298 1.00 13.30 H new ATOM 640 N LYS A 43 -18.428 -9.127 -13.068 1.00 52.32 N ATOM 641 CA LYS A 43 -18.802 -9.364 -14.457 1.00 61.34 C ATOM 642 C LYS A 43 -17.564 -9.543 -15.331 1.00 12.42 C ATOM 643 O LYS A 43 -17.562 -10.343 -16.266 1.00 71.11 O ATOM 644 CB LYS A 43 -19.649 -8.204 -14.985 1.00 4.20 C ATOM 645 CG LYS A 43 -18.839 -7.135 -15.698 1.00 5.22 C ATOM 646 CD LYS A 43 -19.715 -5.977 -16.146 1.00 60.43 C ATOM 647 CE LYS A 43 -19.053 -5.174 -17.255 1.00 4.32 C ATOM 648 NZ LYS A 43 -19.321 -5.756 -18.599 1.00 33.23 N ATOM 0 H LYS A 43 -18.719 -8.221 -12.702 1.00 52.32 H new ATOM 0 HA LYS A 43 -19.389 -10.281 -14.497 1.00 61.34 H new ATOM 0 HB2 LYS A 43 -20.400 -8.596 -15.670 1.00 4.20 H new ATOM 0 HB3 LYS A 43 -20.184 -7.748 -14.152 1.00 4.20 H new ATOM 0 HG2 LYS A 43 -18.058 -6.766 -15.034 1.00 5.22 H new ATOM 0 HG3 LYS A 43 -18.341 -7.572 -16.564 1.00 5.22 H new ATOM 0 HD2 LYS A 43 -20.674 -6.359 -16.495 1.00 60.43 H new ATOM 0 HD3 LYS A 43 -19.921 -5.325 -15.297 1.00 60.43 H new ATOM 0 HE2 LYS A 43 -19.416 -4.147 -17.225 1.00 4.32 H new ATOM 0 HE3 LYS A 43 -17.977 -5.137 -17.084 1.00 4.32 H new ATOM 0 HZ1 LYS A 43 -18.852 -5.179 -19.327 1.00 33.23 H new ATOM 0 HZ2 LYS A 43 -18.952 -6.728 -18.636 1.00 33.23 H new ATOM 0 HZ3 LYS A 43 -20.346 -5.768 -18.774 1.00 33.23 H new ATOM 662 N VAL A 44 -16.512 -8.793 -15.019 1.00 10.43 N ATOM 663 CA VAL A 44 -15.267 -8.870 -15.774 1.00 11.23 C ATOM 664 C VAL A 44 -14.596 -10.226 -15.590 1.00 30.34 C ATOM 665 O VAL A 44 -13.998 -10.766 -16.520 1.00 50.42 O ATOM 666 CB VAL A 44 -14.285 -7.762 -15.351 1.00 5.32 C ATOM 667 CG1 VAL A 44 -13.034 -7.798 -16.216 1.00 21.02 C ATOM 668 CG2 VAL A 44 -14.955 -6.398 -15.426 1.00 32.41 C ATOM 0 H VAL A 44 -16.497 -8.125 -14.248 1.00 10.43 H new ATOM 0 HA VAL A 44 -15.525 -8.735 -16.824 1.00 11.23 H new ATOM 0 HB VAL A 44 -13.989 -7.939 -14.317 1.00 5.32 H new ATOM 0 HG11 VAL A 44 -12.352 -7.008 -15.902 1.00 21.02 H new ATOM 0 HG12 VAL A 44 -12.544 -8.765 -16.107 1.00 21.02 H new ATOM 0 HG13 VAL A 44 -13.309 -7.647 -17.260 1.00 21.02 H new ATOM 0 HG21 VAL A 44 -14.246 -5.627 -15.124 1.00 32.41 H new ATOM 0 HG22 VAL A 44 -15.282 -6.209 -16.448 1.00 32.41 H new ATOM 0 HG23 VAL A 44 -15.818 -6.379 -14.760 1.00 32.41 H new ATOM 678 N MET A 45 -14.700 -10.773 -14.383 1.00 10.24 N ATOM 679 CA MET A 45 -14.104 -12.068 -14.077 1.00 32.32 C ATOM 680 C MET A 45 -14.522 -13.115 -15.105 1.00 0.03 C ATOM 681 O MET A 45 -13.740 -13.998 -15.458 1.00 52.00 O ATOM 682 CB MET A 45 -14.512 -12.523 -12.674 1.00 52.21 C ATOM 683 CG MET A 45 -13.981 -11.628 -11.567 1.00 5.44 C ATOM 684 SD MET A 45 -12.533 -12.323 -10.746 1.00 53.10 S ATOM 685 CE MET A 45 -11.542 -12.805 -12.158 1.00 53.41 C ATOM 0 H MET A 45 -15.191 -10.340 -13.601 1.00 10.24 H new ATOM 0 HA MET A 45 -13.020 -11.959 -14.115 1.00 32.32 H new ATOM 0 HB2 MET A 45 -15.600 -12.555 -12.613 1.00 52.21 H new ATOM 0 HB3 MET A 45 -14.153 -13.539 -12.512 1.00 52.21 H new ATOM 0 HG2 MET A 45 -13.725 -10.654 -11.984 1.00 5.44 H new ATOM 0 HG3 MET A 45 -14.767 -11.463 -10.830 1.00 5.44 H new ATOM 0 HE1 MET A 45 -10.574 -13.171 -11.815 1.00 53.41 H new ATOM 0 HE2 MET A 45 -12.054 -13.594 -12.709 1.00 53.41 H new ATOM 0 HE3 MET A 45 -11.394 -11.944 -12.810 1.00 53.41 H new ATOM 695 N ARG A 46 -15.758 -13.010 -15.581 1.00 35.25 N ATOM 696 CA ARG A 46 -16.280 -13.949 -16.567 1.00 3.04 C ATOM 697 C ARG A 46 -15.501 -13.851 -17.875 1.00 62.41 C ATOM 698 O ARG A 46 -15.287 -14.853 -18.558 1.00 12.23 O ATOM 699 CB ARG A 46 -17.764 -13.681 -16.823 1.00 2.41 C ATOM 700 CG ARG A 46 -18.602 -13.632 -15.556 1.00 23.23 C ATOM 701 CD ARG A 46 -18.773 -15.016 -14.948 1.00 54.41 C ATOM 702 NE ARG A 46 -19.820 -15.040 -13.930 1.00 21.12 N ATOM 703 CZ ARG A 46 -21.118 -15.009 -14.209 1.00 71.12 C ATOM 704 NH1 ARG A 46 -21.527 -14.953 -15.469 1.00 73.11 N ATOM 705 NH2 ARG A 46 -22.010 -15.035 -13.227 1.00 52.42 N ATOM 0 H ARG A 46 -16.417 -12.284 -15.300 1.00 35.25 H new ATOM 0 HA ARG A 46 -16.164 -14.957 -16.169 1.00 3.04 H new ATOM 0 HB2 ARG A 46 -17.867 -12.734 -17.353 1.00 2.41 H new ATOM 0 HB3 ARG A 46 -18.157 -14.458 -17.478 1.00 2.41 H new ATOM 0 HG2 ARG A 46 -18.129 -12.971 -14.831 1.00 23.23 H new ATOM 0 HG3 ARG A 46 -19.581 -13.209 -15.782 1.00 23.23 H new ATOM 0 HD2 ARG A 46 -19.016 -15.730 -15.735 1.00 54.41 H new ATOM 0 HD3 ARG A 46 -17.830 -15.337 -14.506 1.00 54.41 H new ATOM 0 HE ARG A 46 -19.539 -15.083 -12.951 1.00 21.12 H new ATOM 0 HH11 ARG A 46 -20.844 -14.934 -16.226 1.00 73.11 H new ATOM 0 HH12 ARG A 46 -22.524 -14.929 -15.681 1.00 73.11 H new ATOM 0 HH21 ARG A 46 -21.699 -15.079 -12.257 1.00 52.42 H new ATOM 0 HH22 ARG A 46 -23.007 -15.011 -13.443 1.00 52.42 H new ATOM 719 N MET A 47 -15.080 -12.638 -18.218 1.00 62.30 N ATOM 720 CA MET A 47 -14.324 -12.410 -19.444 1.00 72.43 C ATOM 721 C MET A 47 -12.959 -13.088 -19.376 1.00 11.25 C ATOM 722 O MET A 47 -12.409 -13.503 -20.396 1.00 44.23 O ATOM 723 CB MET A 47 -14.150 -10.910 -19.690 1.00 74.53 C ATOM 724 CG MET A 47 -15.465 -10.151 -19.768 1.00 61.11 C ATOM 725 SD MET A 47 -16.273 -10.323 -21.371 1.00 23.41 S ATOM 726 CE MET A 47 -16.127 -8.655 -22.005 1.00 4.53 C ATOM 0 H MET A 47 -15.249 -11.798 -17.664 1.00 62.30 H new ATOM 0 HA MET A 47 -14.884 -12.844 -20.272 1.00 72.43 H new ATOM 0 HB2 MET A 47 -13.542 -10.487 -18.890 1.00 74.53 H new ATOM 0 HB3 MET A 47 -13.600 -10.764 -20.619 1.00 74.53 H new ATOM 0 HG2 MET A 47 -16.135 -10.512 -18.987 1.00 61.11 H new ATOM 0 HG3 MET A 47 -15.283 -9.095 -19.569 1.00 61.11 H new ATOM 0 HE1 MET A 47 -16.582 -8.600 -22.994 1.00 4.53 H new ATOM 0 HE2 MET A 47 -16.636 -7.964 -21.333 1.00 4.53 H new ATOM 0 HE3 MET A 47 -15.074 -8.383 -22.075 1.00 4.53 H new ATOM 736 N LEU A 48 -12.418 -13.196 -18.167 1.00 62.33 N ATOM 737 CA LEU A 48 -11.116 -13.823 -17.966 1.00 32.45 C ATOM 738 C LEU A 48 -11.214 -15.339 -18.108 1.00 12.04 C ATOM 739 O LEU A 48 -10.230 -16.008 -18.419 1.00 72.33 O ATOM 740 CB LEU A 48 -10.563 -13.464 -16.585 1.00 53.23 C ATOM 741 CG LEU A 48 -9.949 -12.070 -16.451 1.00 21.13 C ATOM 742 CD1 LEU A 48 -8.834 -11.878 -17.467 1.00 51.21 C ATOM 743 CD2 LEU A 48 -11.016 -10.998 -16.618 1.00 31.32 C ATOM 0 H LEU A 48 -12.860 -12.858 -17.312 1.00 62.33 H new ATOM 0 HA LEU A 48 -10.437 -13.448 -18.732 1.00 32.45 H new ATOM 0 HB2 LEU A 48 -11.369 -13.556 -15.857 1.00 53.23 H new ATOM 0 HB3 LEU A 48 -9.806 -14.200 -16.316 1.00 53.23 H new ATOM 0 HG LEU A 48 -9.523 -11.977 -15.452 1.00 21.13 H new ATOM 0 HD11 LEU A 48 -8.409 -10.880 -17.357 1.00 51.21 H new ATOM 0 HD12 LEU A 48 -8.057 -12.624 -17.300 1.00 51.21 H new ATOM 0 HD13 LEU A 48 -9.236 -11.992 -18.474 1.00 51.21 H new ATOM 0 HD21 LEU A 48 -10.560 -10.013 -16.519 1.00 31.32 H new ATOM 0 HD22 LEU A 48 -11.473 -11.090 -17.603 1.00 31.32 H new ATOM 0 HD23 LEU A 48 -11.780 -11.123 -15.851 1.00 31.32 H new ATOM 755 N GLY A 49 -12.410 -15.874 -17.879 1.00 2.14 N ATOM 756 CA GLY A 49 -12.615 -17.306 -17.988 1.00 61.31 C ATOM 757 C GLY A 49 -12.948 -17.948 -16.656 1.00 5.14 C ATOM 758 O GLY A 49 -12.957 -19.173 -16.535 1.00 44.41 O ATOM 0 H GLY A 49 -13.240 -15.341 -17.620 1.00 2.14 H new ATOM 0 HA2 GLY A 49 -13.422 -17.501 -18.694 1.00 61.31 H new ATOM 0 HA3 GLY A 49 -11.716 -17.768 -18.396 1.00 61.31 H new ATOM 762 N GLN A 50 -13.220 -17.119 -15.653 1.00 43.10 N ATOM 763 CA GLN A 50 -13.552 -17.614 -14.322 1.00 42.42 C ATOM 764 C GLN A 50 -14.787 -16.908 -13.772 1.00 4.25 C ATOM 765 O GLN A 50 -15.122 -15.802 -14.195 1.00 24.35 O ATOM 766 CB GLN A 50 -12.370 -17.415 -13.372 1.00 21.23 C ATOM 767 CG GLN A 50 -11.209 -18.360 -13.639 1.00 10.51 C ATOM 768 CD GLN A 50 -10.329 -17.893 -14.782 1.00 24.34 C ATOM 769 OE1 GLN A 50 -10.105 -18.625 -15.746 1.00 43.14 O ATOM 770 NE2 GLN A 50 -9.824 -16.669 -14.679 1.00 24.51 N ATOM 0 H GLN A 50 -13.217 -16.102 -15.737 1.00 43.10 H new ATOM 0 HA GLN A 50 -13.770 -18.679 -14.401 1.00 42.42 H new ATOM 0 HB2 GLN A 50 -12.017 -16.387 -13.455 1.00 21.23 H new ATOM 0 HB3 GLN A 50 -12.712 -17.553 -12.346 1.00 21.23 H new ATOM 0 HG2 GLN A 50 -10.606 -18.453 -12.736 1.00 10.51 H new ATOM 0 HG3 GLN A 50 -11.598 -19.352 -13.867 1.00 10.51 H new ATOM 0 HE21 GLN A 50 -10.036 -16.097 -13.862 1.00 24.51 H new ATOM 0 HE22 GLN A 50 -9.224 -16.301 -15.417 1.00 24.51 H new ATOM 779 N ASN A 51 -15.460 -17.555 -12.826 1.00 24.03 N ATOM 780 CA ASN A 51 -16.658 -16.989 -12.218 1.00 34.34 C ATOM 781 C ASN A 51 -16.677 -17.243 -10.713 1.00 70.23 C ATOM 782 O ASN A 51 -17.503 -17.996 -10.196 1.00 2.52 O ATOM 783 CB ASN A 51 -17.912 -17.585 -12.862 1.00 41.32 C ATOM 784 CG ASN A 51 -17.966 -19.095 -12.735 1.00 44.12 C ATOM 785 OD1 ASN A 51 -17.094 -19.708 -12.119 1.00 34.54 O ATOM 786 ND2 ASN A 51 -18.992 -19.701 -13.320 1.00 61.51 N ATOM 0 H ASN A 51 -15.196 -18.471 -12.464 1.00 24.03 H new ATOM 0 HA ASN A 51 -16.647 -15.912 -12.387 1.00 34.34 H new ATOM 0 HB2 ASN A 51 -18.797 -17.152 -12.396 1.00 41.32 H new ATOM 0 HB3 ASN A 51 -17.941 -17.311 -13.917 1.00 41.32 H new ATOM 0 HD21 ASN A 51 -19.081 -20.716 -13.270 1.00 61.51 H new ATOM 0 HD22 ASN A 51 -19.691 -19.152 -13.820 1.00 61.51 H new ATOM 793 N PRO A 52 -15.745 -16.601 -9.993 1.00 54.33 N ATOM 794 CA PRO A 52 -15.634 -16.740 -8.538 1.00 54.23 C ATOM 795 C PRO A 52 -16.797 -16.082 -7.803 1.00 20.24 C ATOM 796 O PRO A 52 -17.504 -15.242 -8.361 1.00 24.11 O ATOM 797 CB PRO A 52 -14.322 -16.023 -8.213 1.00 24.14 C ATOM 798 CG PRO A 52 -14.140 -15.044 -9.320 1.00 42.43 C ATOM 799 CD PRO A 52 -14.729 -15.689 -10.544 1.00 51.52 C ATOM 0 HA PRO A 52 -15.654 -17.784 -8.225 1.00 54.23 H new ATOM 0 HB2 PRO A 52 -14.374 -15.522 -7.246 1.00 24.14 H new ATOM 0 HB3 PRO A 52 -13.489 -16.725 -8.164 1.00 24.14 H new ATOM 0 HG2 PRO A 52 -14.642 -14.103 -9.095 1.00 42.43 H new ATOM 0 HG3 PRO A 52 -13.085 -14.815 -9.469 1.00 42.43 H new ATOM 0 HD2 PRO A 52 -15.172 -14.951 -11.213 1.00 51.52 H new ATOM 0 HD3 PRO A 52 -13.974 -16.227 -11.117 1.00 51.52 H new ATOM 807 N THR A 53 -16.991 -16.469 -6.546 1.00 23.15 N ATOM 808 CA THR A 53 -18.068 -15.918 -5.734 1.00 11.34 C ATOM 809 C THR A 53 -17.981 -14.397 -5.663 1.00 24.40 C ATOM 810 O THR A 53 -16.932 -13.800 -5.907 1.00 52.12 O ATOM 811 CB THR A 53 -18.043 -16.489 -4.303 1.00 44.03 C ATOM 812 OG1 THR A 53 -16.719 -16.924 -3.973 1.00 61.22 O ATOM 813 CG2 THR A 53 -19.013 -17.653 -4.168 1.00 40.40 C ATOM 0 H THR A 53 -16.415 -17.163 -6.068 1.00 23.15 H new ATOM 0 HA THR A 53 -19.003 -16.204 -6.215 1.00 11.34 H new ATOM 0 HB THR A 53 -18.348 -15.701 -3.615 1.00 44.03 H new ATOM 0 HG1 THR A 53 -16.711 -17.284 -3.062 1.00 61.22 H new ATOM 0 HG21 THR A 53 -18.978 -18.040 -3.149 1.00 40.40 H new ATOM 0 HG22 THR A 53 -20.024 -17.312 -4.392 1.00 40.40 H new ATOM 0 HG23 THR A 53 -18.733 -18.442 -4.866 1.00 40.40 H new ATOM 821 N PRO A 54 -19.107 -13.754 -5.320 1.00 63.44 N ATOM 822 CA PRO A 54 -19.182 -12.295 -5.208 1.00 50.35 C ATOM 823 C PRO A 54 -18.399 -11.764 -4.013 1.00 1.14 C ATOM 824 O PRO A 54 -17.615 -10.824 -4.141 1.00 14.23 O ATOM 825 CB PRO A 54 -20.679 -12.030 -5.028 1.00 3.52 C ATOM 826 CG PRO A 54 -21.217 -13.286 -4.437 1.00 35.34 C ATOM 827 CD PRO A 54 -20.393 -14.403 -5.015 1.00 52.24 C ATOM 0 HA PRO A 54 -18.748 -11.797 -6.075 1.00 50.35 H new ATOM 0 HB2 PRO A 54 -20.854 -11.177 -4.372 1.00 3.52 H new ATOM 0 HB3 PRO A 54 -21.158 -11.803 -5.980 1.00 3.52 H new ATOM 0 HG2 PRO A 54 -21.142 -13.269 -3.350 1.00 35.34 H new ATOM 0 HG3 PRO A 54 -22.272 -13.412 -4.682 1.00 35.34 H new ATOM 0 HD2 PRO A 54 -20.272 -15.222 -4.306 1.00 52.24 H new ATOM 0 HD3 PRO A 54 -20.854 -14.822 -5.909 1.00 52.24 H new ATOM 835 N GLU A 55 -18.616 -12.373 -2.851 1.00 71.01 N ATOM 836 CA GLU A 55 -17.930 -11.960 -1.633 1.00 3.04 C ATOM 837 C GLU A 55 -16.426 -12.192 -1.750 1.00 31.33 C ATOM 838 O GLU A 55 -15.628 -11.468 -1.156 1.00 52.43 O ATOM 839 CB GLU A 55 -18.482 -12.722 -0.426 1.00 72.13 C ATOM 840 CG GLU A 55 -19.990 -12.611 -0.275 1.00 0.25 C ATOM 841 CD GLU A 55 -20.521 -13.425 0.890 1.00 43.52 C ATOM 842 OE1 GLU A 55 -19.894 -14.449 1.233 1.00 12.42 O ATOM 843 OE2 GLU A 55 -21.563 -13.036 1.458 1.00 72.34 O ATOM 0 H GLU A 55 -19.261 -13.153 -2.728 1.00 71.01 H new ATOM 0 HA GLU A 55 -18.106 -10.894 -1.492 1.00 3.04 H new ATOM 0 HB2 GLU A 55 -18.211 -13.774 -0.516 1.00 72.13 H new ATOM 0 HB3 GLU A 55 -18.006 -12.346 0.479 1.00 72.13 H new ATOM 0 HG2 GLU A 55 -20.261 -11.565 -0.136 1.00 0.25 H new ATOM 0 HG3 GLU A 55 -20.469 -12.945 -1.195 1.00 0.25 H new ATOM 850 N GLU A 56 -16.048 -13.209 -2.519 1.00 13.31 N ATOM 851 CA GLU A 56 -14.641 -13.537 -2.712 1.00 61.45 C ATOM 852 C GLU A 56 -13.923 -12.428 -3.476 1.00 72.21 C ATOM 853 O GLU A 56 -12.726 -12.206 -3.292 1.00 23.23 O ATOM 854 CB GLU A 56 -14.503 -14.862 -3.466 1.00 24.14 C ATOM 855 CG GLU A 56 -14.318 -16.064 -2.554 1.00 42.14 C ATOM 856 CD GLU A 56 -12.920 -16.145 -1.972 1.00 71.01 C ATOM 857 OE1 GLU A 56 -12.052 -15.356 -2.402 1.00 72.51 O ATOM 858 OE2 GLU A 56 -12.694 -16.996 -1.087 1.00 61.52 O ATOM 0 H GLU A 56 -16.696 -13.819 -3.018 1.00 13.31 H new ATOM 0 HA GLU A 56 -14.179 -13.635 -1.730 1.00 61.45 H new ATOM 0 HB2 GLU A 56 -15.390 -15.015 -4.080 1.00 24.14 H new ATOM 0 HB3 GLU A 56 -13.653 -14.797 -4.145 1.00 24.14 H new ATOM 0 HG2 GLU A 56 -15.043 -16.014 -1.742 1.00 42.14 H new ATOM 0 HG3 GLU A 56 -14.528 -16.976 -3.113 1.00 42.14 H new ATOM 865 N LEU A 57 -14.663 -11.735 -4.334 1.00 40.15 N ATOM 866 CA LEU A 57 -14.098 -10.648 -5.128 1.00 34.44 C ATOM 867 C LEU A 57 -13.481 -9.582 -4.229 1.00 22.12 C ATOM 868 O LEU A 57 -12.309 -9.237 -4.375 1.00 64.21 O ATOM 869 CB LEU A 57 -15.178 -10.023 -6.013 1.00 4.20 C ATOM 870 CG LEU A 57 -15.721 -10.908 -7.136 1.00 2.54 C ATOM 871 CD1 LEU A 57 -16.984 -10.303 -7.728 1.00 40.42 C ATOM 872 CD2 LEU A 57 -14.666 -11.108 -8.214 1.00 54.24 C ATOM 0 H LEU A 57 -15.655 -11.906 -4.498 1.00 40.15 H new ATOM 0 HA LEU A 57 -13.313 -11.062 -5.761 1.00 34.44 H new ATOM 0 HB2 LEU A 57 -16.012 -9.724 -5.378 1.00 4.20 H new ATOM 0 HB3 LEU A 57 -14.774 -9.114 -6.458 1.00 4.20 H new ATOM 0 HG LEU A 57 -15.972 -11.882 -6.717 1.00 2.54 H new ATOM 0 HD11 LEU A 57 -17.356 -10.946 -8.525 1.00 40.42 H new ATOM 0 HD12 LEU A 57 -17.743 -10.212 -6.951 1.00 40.42 H new ATOM 0 HD13 LEU A 57 -16.760 -9.316 -8.133 1.00 40.42 H new ATOM 0 HD21 LEU A 57 -15.069 -11.740 -9.005 1.00 54.24 H new ATOM 0 HD22 LEU A 57 -14.384 -10.141 -8.631 1.00 54.24 H new ATOM 0 HD23 LEU A 57 -13.788 -11.586 -7.780 1.00 54.24 H new ATOM 884 N GLN A 58 -14.277 -9.066 -3.298 1.00 52.03 N ATOM 885 CA GLN A 58 -13.807 -8.040 -2.375 1.00 35.02 C ATOM 886 C GLN A 58 -12.593 -8.527 -1.591 1.00 70.55 C ATOM 887 O GLN A 58 -11.784 -7.728 -1.123 1.00 2.31 O ATOM 888 CB GLN A 58 -14.926 -7.642 -1.410 1.00 24.14 C ATOM 889 CG GLN A 58 -14.444 -6.815 -0.229 1.00 12.51 C ATOM 890 CD GLN A 58 -15.448 -5.759 0.192 1.00 43.02 C ATOM 891 OE1 GLN A 58 -16.384 -6.040 0.941 1.00 51.55 O ATOM 892 NE2 GLN A 58 -15.257 -4.536 -0.289 1.00 11.24 N ATOM 0 H GLN A 58 -15.250 -9.342 -3.163 1.00 52.03 H new ATOM 0 HA GLN A 58 -13.513 -7.168 -2.959 1.00 35.02 H new ATOM 0 HB2 GLN A 58 -15.681 -7.076 -1.956 1.00 24.14 H new ATOM 0 HB3 GLN A 58 -15.411 -8.544 -1.038 1.00 24.14 H new ATOM 0 HG2 GLN A 58 -14.242 -7.476 0.614 1.00 12.51 H new ATOM 0 HG3 GLN A 58 -13.502 -6.332 -0.489 1.00 12.51 H new ATOM 0 HE21 GLN A 58 -14.467 -4.349 -0.907 1.00 11.24 H new ATOM 0 HE22 GLN A 58 -15.900 -3.784 -0.041 1.00 11.24 H new ATOM 901 N GLU A 59 -12.473 -9.844 -1.454 1.00 34.34 N ATOM 902 CA GLU A 59 -11.358 -10.437 -0.726 1.00 23.15 C ATOM 903 C GLU A 59 -10.027 -10.063 -1.371 1.00 5.31 C ATOM 904 O GLU A 59 -9.129 -9.542 -0.709 1.00 62.43 O ATOM 905 CB GLU A 59 -11.503 -11.960 -0.677 1.00 10.52 C ATOM 906 CG GLU A 59 -10.835 -12.596 0.530 1.00 32.43 C ATOM 907 CD GLU A 59 -11.697 -12.530 1.776 1.00 30.42 C ATOM 908 OE1 GLU A 59 -12.888 -12.896 1.695 1.00 60.44 O ATOM 909 OE2 GLU A 59 -11.179 -12.113 2.833 1.00 14.34 O ATOM 0 H GLU A 59 -13.134 -10.520 -1.837 1.00 34.34 H new ATOM 0 HA GLU A 59 -11.373 -10.045 0.291 1.00 23.15 H new ATOM 0 HB2 GLU A 59 -12.563 -12.216 -0.672 1.00 10.52 H new ATOM 0 HB3 GLU A 59 -11.076 -12.387 -1.585 1.00 10.52 H new ATOM 0 HG2 GLU A 59 -10.605 -13.638 0.306 1.00 32.43 H new ATOM 0 HG3 GLU A 59 -9.886 -12.094 0.722 1.00 32.43 H new ATOM 916 N MET A 60 -9.907 -10.332 -2.667 1.00 35.22 N ATOM 917 CA MET A 60 -8.687 -10.023 -3.402 1.00 64.32 C ATOM 918 C MET A 60 -8.500 -8.515 -3.537 1.00 22.43 C ATOM 919 O MET A 60 -7.376 -8.029 -3.667 1.00 21.23 O ATOM 920 CB MET A 60 -8.723 -10.670 -4.788 1.00 71.11 C ATOM 921 CG MET A 60 -8.387 -12.152 -4.776 1.00 20.50 C ATOM 922 SD MET A 60 -7.912 -12.770 -6.402 1.00 21.31 S ATOM 923 CE MET A 60 -9.442 -13.534 -6.935 1.00 13.55 C ATOM 0 H MET A 60 -10.640 -10.763 -3.230 1.00 35.22 H new ATOM 0 HA MET A 60 -7.844 -10.427 -2.842 1.00 64.32 H new ATOM 0 HB2 MET A 60 -9.716 -10.534 -5.217 1.00 71.11 H new ATOM 0 HB3 MET A 60 -8.020 -10.152 -5.440 1.00 71.11 H new ATOM 0 HG2 MET A 60 -7.574 -12.331 -4.072 1.00 20.50 H new ATOM 0 HG3 MET A 60 -9.249 -12.713 -4.416 1.00 20.50 H new ATOM 0 HE1 MET A 60 -9.308 -13.963 -7.928 1.00 13.55 H new ATOM 0 HE2 MET A 60 -9.719 -14.321 -6.234 1.00 13.55 H new ATOM 0 HE3 MET A 60 -10.231 -12.783 -6.968 1.00 13.55 H new ATOM 933 N ILE A 61 -9.607 -7.781 -3.505 1.00 61.40 N ATOM 934 CA ILE A 61 -9.564 -6.329 -3.623 1.00 23.23 C ATOM 935 C ILE A 61 -9.067 -5.688 -2.332 1.00 2.43 C ATOM 936 O ILE A 61 -8.567 -4.563 -2.338 1.00 2.40 O ATOM 937 CB ILE A 61 -10.948 -5.751 -3.970 1.00 72.13 C ATOM 938 CG1 ILE A 61 -11.405 -6.253 -5.341 1.00 73.53 C ATOM 939 CG2 ILE A 61 -10.909 -4.230 -3.943 1.00 72.53 C ATOM 940 CD1 ILE A 61 -12.763 -5.731 -5.754 1.00 53.35 C ATOM 0 H ILE A 61 -10.545 -8.168 -3.398 1.00 61.40 H new ATOM 0 HA ILE A 61 -8.870 -6.098 -4.432 1.00 23.23 H new ATOM 0 HB ILE A 61 -11.665 -6.090 -3.222 1.00 72.13 H new ATOM 0 HG12 ILE A 61 -10.669 -5.960 -6.090 1.00 73.53 H new ATOM 0 HG13 ILE A 61 -11.432 -7.343 -5.329 1.00 73.53 H new ATOM 0 HG21 ILE A 61 -11.895 -3.836 -4.190 1.00 72.53 H new ATOM 0 HG22 ILE A 61 -10.622 -3.891 -2.948 1.00 72.53 H new ATOM 0 HG23 ILE A 61 -10.182 -3.872 -4.672 1.00 72.53 H new ATOM 0 HD11 ILE A 61 -13.022 -6.128 -6.736 1.00 53.35 H new ATOM 0 HD12 ILE A 61 -13.511 -6.046 -5.026 1.00 53.35 H new ATOM 0 HD13 ILE A 61 -12.736 -4.642 -5.798 1.00 53.35 H new ATOM 952 N ASP A 62 -9.206 -6.411 -1.226 1.00 73.03 N ATOM 953 CA ASP A 62 -8.769 -5.914 0.073 1.00 1.00 C ATOM 954 C ASP A 62 -7.253 -5.746 0.109 1.00 70.44 C ATOM 955 O ASP A 62 -6.745 -4.697 0.502 1.00 24.43 O ATOM 956 CB ASP A 62 -9.215 -6.866 1.184 1.00 54.03 C ATOM 957 CG ASP A 62 -8.753 -6.413 2.555 1.00 72.32 C ATOM 958 OD1 ASP A 62 -8.411 -5.221 2.702 1.00 30.23 O ATOM 959 OD2 ASP A 62 -8.734 -7.251 3.481 1.00 53.05 O ATOM 0 H ASP A 62 -9.618 -7.344 -1.203 1.00 73.03 H new ATOM 0 HA ASP A 62 -9.229 -4.939 0.234 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -10.302 -6.943 1.177 1.00 54.03 H new ATOM 0 HB3 ASP A 62 -8.823 -7.863 0.983 1.00 54.03 H new ATOM 964 N GLU A 63 -6.538 -6.788 -0.304 1.00 63.14 N ATOM 965 CA GLU A 63 -5.080 -6.756 -0.318 1.00 1.34 C ATOM 966 C GLU A 63 -4.566 -5.823 -1.410 1.00 53.34 C ATOM 967 O GLU A 63 -3.440 -5.331 -1.344 1.00 3.24 O ATOM 968 CB GLU A 63 -4.518 -8.163 -0.528 1.00 33.40 C ATOM 969 CG GLU A 63 -3.934 -8.780 0.732 1.00 60.23 C ATOM 970 CD GLU A 63 -4.780 -8.509 1.961 1.00 42.34 C ATOM 971 OE1 GLU A 63 -5.944 -8.958 1.991 1.00 32.53 O ATOM 972 OE2 GLU A 63 -4.276 -7.846 2.892 1.00 33.31 O ATOM 0 H GLU A 63 -6.944 -7.664 -0.633 1.00 63.14 H new ATOM 0 HA GLU A 63 -4.742 -6.378 0.647 1.00 1.34 H new ATOM 0 HB2 GLU A 63 -5.311 -8.809 -0.905 1.00 33.40 H new ATOM 0 HB3 GLU A 63 -3.745 -8.126 -1.296 1.00 33.40 H new ATOM 0 HG2 GLU A 63 -3.836 -9.857 0.593 1.00 60.23 H new ATOM 0 HG3 GLU A 63 -2.930 -8.387 0.893 1.00 60.23 H new ATOM 979 N VAL A 64 -5.401 -5.584 -2.417 1.00 60.01 N ATOM 980 CA VAL A 64 -5.033 -4.710 -3.525 1.00 22.23 C ATOM 981 C VAL A 64 -5.226 -3.244 -3.155 1.00 51.24 C ATOM 982 O VAL A 64 -4.323 -2.425 -3.328 1.00 24.44 O ATOM 983 CB VAL A 64 -5.860 -5.024 -4.786 1.00 5.12 C ATOM 984 CG1 VAL A 64 -5.575 -4.005 -5.878 1.00 45.15 C ATOM 985 CG2 VAL A 64 -5.571 -6.436 -5.274 1.00 14.33 C ATOM 0 H VAL A 64 -6.337 -5.984 -2.488 1.00 60.01 H new ATOM 0 HA VAL A 64 -3.979 -4.893 -3.736 1.00 22.23 H new ATOM 0 HB VAL A 64 -6.918 -4.962 -4.531 1.00 5.12 H new ATOM 0 HG11 VAL A 64 -6.168 -4.243 -6.761 1.00 45.15 H new ATOM 0 HG12 VAL A 64 -5.837 -3.008 -5.523 1.00 45.15 H new ATOM 0 HG13 VAL A 64 -4.516 -4.033 -6.134 1.00 45.15 H new ATOM 0 HG21 VAL A 64 -6.164 -6.641 -6.166 1.00 14.33 H new ATOM 0 HG22 VAL A 64 -4.512 -6.529 -5.513 1.00 14.33 H new ATOM 0 HG23 VAL A 64 -5.830 -7.151 -4.493 1.00 14.33 H new ATOM 995 N ASP A 65 -6.409 -2.919 -2.647 1.00 13.35 N ATOM 996 CA ASP A 65 -6.721 -1.550 -2.251 1.00 35.33 C ATOM 997 C ASP A 65 -5.820 -1.096 -1.107 1.00 21.41 C ATOM 998 O ASP A 65 -5.976 -1.538 0.031 1.00 62.11 O ATOM 999 CB ASP A 65 -8.189 -1.439 -1.835 1.00 31.33 C ATOM 1000 CG ASP A 65 -8.739 -0.038 -2.018 1.00 64.34 C ATOM 1001 OD1 ASP A 65 -7.941 0.922 -1.975 1.00 55.42 O ATOM 1002 OD2 ASP A 65 -9.965 0.097 -2.206 1.00 55.42 O ATOM 0 H ASP A 65 -7.168 -3.584 -2.499 1.00 13.35 H new ATOM 0 HA ASP A 65 -6.544 -0.901 -3.108 1.00 35.33 H new ATOM 0 HB2 ASP A 65 -8.784 -2.139 -2.422 1.00 31.33 H new ATOM 0 HB3 ASP A 65 -8.291 -1.732 -0.790 1.00 31.33 H new ATOM 1007 N GLU A 66 -4.877 -0.213 -1.418 1.00 42.23 N ATOM 1008 CA GLU A 66 -3.949 0.299 -0.416 1.00 73.20 C ATOM 1009 C GLU A 66 -4.681 1.150 0.618 1.00 43.54 C ATOM 1010 O GLU A 66 -4.410 1.061 1.815 1.00 22.12 O ATOM 1011 CB GLU A 66 -2.846 1.123 -1.083 1.00 60.42 C ATOM 1012 CG GLU A 66 -2.018 0.334 -2.083 1.00 63.33 C ATOM 1013 CD GLU A 66 -1.329 1.223 -3.101 1.00 33.32 C ATOM 1014 OE1 GLU A 66 -2.002 1.665 -4.055 1.00 74.20 O ATOM 1015 OE2 GLU A 66 -0.117 1.476 -2.942 1.00 3.31 O ATOM 0 H GLU A 66 -4.735 0.163 -2.356 1.00 42.23 H new ATOM 0 HA GLU A 66 -3.498 -0.553 0.093 1.00 73.20 H new ATOM 0 HB2 GLU A 66 -3.297 1.976 -1.590 1.00 60.42 H new ATOM 0 HB3 GLU A 66 -2.186 1.523 -0.313 1.00 60.42 H new ATOM 0 HG2 GLU A 66 -1.268 -0.249 -1.548 1.00 63.33 H new ATOM 0 HG3 GLU A 66 -2.662 -0.376 -2.603 1.00 63.33 H new ATOM 1022 N ASP A 67 -5.608 1.976 0.146 1.00 41.35 N ATOM 1023 CA ASP A 67 -6.379 2.844 1.028 1.00 53.44 C ATOM 1024 C ASP A 67 -7.704 2.191 1.410 1.00 3.34 C ATOM 1025 O ASP A 67 -8.433 2.696 2.263 1.00 2.21 O ATOM 1026 CB ASP A 67 -6.637 4.193 0.353 1.00 34.33 C ATOM 1027 CG ASP A 67 -7.806 4.143 -0.612 1.00 4.33 C ATOM 1028 OD1 ASP A 67 -7.675 3.491 -1.669 1.00 40.51 O ATOM 1029 OD2 ASP A 67 -8.851 4.756 -0.309 1.00 62.31 O ATOM 0 H ASP A 67 -5.844 2.063 -0.843 1.00 41.35 H new ATOM 0 HA ASP A 67 -5.799 3.006 1.936 1.00 53.44 H new ATOM 0 HB2 ASP A 67 -6.831 4.947 1.116 1.00 34.33 H new ATOM 0 HB3 ASP A 67 -5.741 4.506 -0.183 1.00 34.33 H new ATOM 1034 N GLY A 68 -8.009 1.065 0.773 1.00 41.34 N ATOM 1035 CA GLY A 68 -9.246 0.362 1.059 1.00 42.30 C ATOM 1036 C GLY A 68 -10.468 1.240 0.875 1.00 43.40 C ATOM 1037 O GLY A 68 -11.345 1.283 1.737 1.00 12.22 O ATOM 0 H GLY A 68 -7.421 0.627 0.064 1.00 41.34 H new ATOM 0 HA2 GLY A 68 -9.325 -0.507 0.406 1.00 42.30 H new ATOM 0 HA3 GLY A 68 -9.220 -0.010 2.083 1.00 42.30 H new ATOM 1041 N SER A 69 -10.525 1.944 -0.251 1.00 44.12 N ATOM 1042 CA SER A 69 -11.645 2.830 -0.543 1.00 55.01 C ATOM 1043 C SER A 69 -12.869 2.031 -0.982 1.00 50.52 C ATOM 1044 O SER A 69 -13.964 2.576 -1.116 1.00 72.40 O ATOM 1045 CB SER A 69 -11.260 3.834 -1.632 1.00 22.54 C ATOM 1046 OG SER A 69 -10.166 3.359 -2.398 1.00 53.31 O ATOM 0 H SER A 69 -9.808 1.918 -0.976 1.00 44.12 H new ATOM 0 HA SER A 69 -11.894 3.373 0.369 1.00 55.01 H new ATOM 0 HB2 SER A 69 -12.115 4.013 -2.284 1.00 22.54 H new ATOM 0 HB3 SER A 69 -11.001 4.789 -1.176 1.00 22.54 H new ATOM 0 HG SER A 69 -9.939 4.017 -3.088 1.00 53.31 H new ATOM 1052 N GLY A 70 -12.673 0.735 -1.205 1.00 53.32 N ATOM 1053 CA GLY A 70 -13.768 -0.118 -1.627 1.00 74.51 C ATOM 1054 C GLY A 70 -13.702 -0.460 -3.102 1.00 60.33 C ATOM 1055 O GLY A 70 -14.518 -1.233 -3.606 1.00 41.14 O ATOM 0 H GLY A 70 -11.776 0.261 -1.101 1.00 53.32 H new ATOM 0 HA2 GLY A 70 -13.753 -1.038 -1.043 1.00 74.51 H new ATOM 0 HA3 GLY A 70 -14.714 0.379 -1.415 1.00 74.51 H new ATOM 1059 N THR A 71 -12.728 0.117 -3.799 1.00 11.50 N ATOM 1060 CA THR A 71 -12.560 -0.128 -5.226 1.00 1.43 C ATOM 1061 C THR A 71 -11.086 -0.122 -5.614 1.00 61.35 C ATOM 1062 O THR A 71 -10.224 0.246 -4.816 1.00 72.01 O ATOM 1063 CB THR A 71 -13.305 0.925 -6.068 1.00 71.22 C ATOM 1064 OG1 THR A 71 -12.779 2.229 -5.799 1.00 54.33 O ATOM 1065 CG2 THR A 71 -14.796 0.902 -5.768 1.00 32.53 C ATOM 0 H THR A 71 -12.043 0.758 -3.398 1.00 11.50 H new ATOM 0 HA THR A 71 -12.983 -1.111 -5.430 1.00 1.43 H new ATOM 0 HB THR A 71 -13.159 0.685 -7.121 1.00 71.22 H new ATOM 0 HG1 THR A 71 -13.355 2.906 -6.212 1.00 54.33 H new ATOM 0 HG21 THR A 71 -15.301 1.654 -6.374 1.00 32.53 H new ATOM 0 HG22 THR A 71 -15.199 -0.083 -6.002 1.00 32.53 H new ATOM 0 HG23 THR A 71 -14.958 1.119 -4.712 1.00 32.53 H new ATOM 1073 N VAL A 72 -10.802 -0.532 -6.847 1.00 31.53 N ATOM 1074 CA VAL A 72 -9.431 -0.573 -7.342 1.00 75.22 C ATOM 1075 C VAL A 72 -9.142 0.613 -8.255 1.00 62.33 C ATOM 1076 O VAL A 72 -9.875 0.868 -9.211 1.00 34.54 O ATOM 1077 CB VAL A 72 -9.151 -1.879 -8.110 1.00 3.33 C ATOM 1078 CG1 VAL A 72 -8.127 -1.642 -9.209 1.00 62.24 C ATOM 1079 CG2 VAL A 72 -8.679 -2.966 -7.156 1.00 74.10 C ATOM 0 H VAL A 72 -11.503 -0.840 -7.521 1.00 31.53 H new ATOM 0 HA VAL A 72 -8.777 -0.525 -6.471 1.00 75.22 H new ATOM 0 HB VAL A 72 -10.078 -2.213 -8.576 1.00 3.33 H new ATOM 0 HG11 VAL A 72 -7.942 -2.575 -9.741 1.00 62.24 H new ATOM 0 HG12 VAL A 72 -8.508 -0.896 -9.907 1.00 62.24 H new ATOM 0 HG13 VAL A 72 -7.196 -1.284 -8.768 1.00 62.24 H new ATOM 0 HG21 VAL A 72 -8.486 -3.882 -7.715 1.00 74.10 H new ATOM 0 HG22 VAL A 72 -7.763 -2.643 -6.661 1.00 74.10 H new ATOM 0 HG23 VAL A 72 -9.449 -3.153 -6.408 1.00 74.10 H new ATOM 1089 N ASP A 73 -8.068 1.334 -7.956 1.00 5.44 N ATOM 1090 CA ASP A 73 -7.679 2.494 -8.751 1.00 21.44 C ATOM 1091 C ASP A 73 -6.606 2.119 -9.769 1.00 13.43 C ATOM 1092 O ASP A 73 -6.036 1.030 -9.713 1.00 23.22 O ATOM 1093 CB ASP A 73 -7.169 3.614 -7.843 1.00 32.25 C ATOM 1094 CG ASP A 73 -7.348 4.987 -8.461 1.00 22.54 C ATOM 1095 OD1 ASP A 73 -8.482 5.507 -8.431 1.00 13.25 O ATOM 1096 OD2 ASP A 73 -6.353 5.540 -8.975 1.00 72.12 O ATOM 0 H ASP A 73 -7.450 1.136 -7.169 1.00 5.44 H new ATOM 0 HA ASP A 73 -8.559 2.846 -9.290 1.00 21.44 H new ATOM 0 HB2 ASP A 73 -7.698 3.575 -6.891 1.00 32.25 H new ATOM 0 HB3 ASP A 73 -6.113 3.451 -7.627 1.00 32.25 H new ATOM 1101 N PHE A 74 -6.338 3.029 -10.699 1.00 43.41 N ATOM 1102 CA PHE A 74 -5.335 2.794 -11.732 1.00 11.24 C ATOM 1103 C PHE A 74 -3.994 2.413 -11.111 1.00 34.30 C ATOM 1104 O PHE A 74 -3.225 1.647 -11.691 1.00 71.54 O ATOM 1105 CB PHE A 74 -5.170 4.040 -12.605 1.00 23.32 C ATOM 1106 CG PHE A 74 -4.089 3.907 -13.639 1.00 41.43 C ATOM 1107 CD1 PHE A 74 -3.886 2.706 -14.299 1.00 74.01 C ATOM 1108 CD2 PHE A 74 -3.275 4.984 -13.952 1.00 2.35 C ATOM 1109 CE1 PHE A 74 -2.893 2.581 -15.252 1.00 21.21 C ATOM 1110 CE2 PHE A 74 -2.280 4.865 -14.904 1.00 11.24 C ATOM 1111 CZ PHE A 74 -2.088 3.662 -15.554 1.00 31.23 C ATOM 0 H PHE A 74 -6.801 3.936 -10.759 1.00 43.41 H new ATOM 0 HA PHE A 74 -5.676 1.966 -12.353 1.00 11.24 H new ATOM 0 HB2 PHE A 74 -6.115 4.252 -13.104 1.00 23.32 H new ATOM 0 HB3 PHE A 74 -4.948 4.895 -11.966 1.00 23.32 H new ATOM 0 HD1 PHE A 74 -4.511 1.857 -14.066 1.00 74.01 H new ATOM 0 HD2 PHE A 74 -3.420 5.927 -13.446 1.00 2.35 H new ATOM 0 HE1 PHE A 74 -2.747 1.639 -15.760 1.00 21.21 H new ATOM 0 HE2 PHE A 74 -1.653 5.712 -15.139 1.00 11.24 H new ATOM 0 HZ PHE A 74 -1.310 3.567 -16.297 1.00 31.23 H new ATOM 1121 N ASP A 75 -3.722 2.953 -9.929 1.00 4.24 N ATOM 1122 CA ASP A 75 -2.474 2.670 -9.228 1.00 14.02 C ATOM 1123 C ASP A 75 -2.432 1.219 -8.759 1.00 11.14 C ATOM 1124 O ASP A 75 -1.555 0.454 -9.157 1.00 62.11 O ATOM 1125 CB ASP A 75 -2.311 3.611 -8.033 1.00 31.52 C ATOM 1126 CG ASP A 75 -1.621 4.908 -8.407 1.00 34.30 C ATOM 1127 OD1 ASP A 75 -0.446 4.856 -8.828 1.00 35.45 O ATOM 1128 OD2 ASP A 75 -2.257 5.975 -8.280 1.00 41.02 O ATOM 0 H ASP A 75 -4.348 3.589 -9.435 1.00 4.24 H new ATOM 0 HA ASP A 75 -1.650 2.832 -9.923 1.00 14.02 H new ATOM 0 HB2 ASP A 75 -3.292 3.833 -7.613 1.00 31.52 H new ATOM 0 HB3 ASP A 75 -1.737 3.109 -7.255 1.00 31.52 H new ATOM 1133 N GLU A 76 -3.385 0.849 -7.909 1.00 53.10 N ATOM 1134 CA GLU A 76 -3.455 -0.510 -7.384 1.00 43.34 C ATOM 1135 C GLU A 76 -3.704 -1.514 -8.506 1.00 50.11 C ATOM 1136 O GLU A 76 -3.286 -2.669 -8.423 1.00 53.14 O ATOM 1137 CB GLU A 76 -4.561 -0.618 -6.333 1.00 23.23 C ATOM 1138 CG GLU A 76 -4.408 0.366 -5.185 1.00 71.11 C ATOM 1139 CD GLU A 76 -5.739 0.906 -4.699 1.00 0.10 C ATOM 1140 OE1 GLU A 76 -6.782 0.314 -5.047 1.00 62.43 O ATOM 1141 OE2 GLU A 76 -5.738 1.920 -3.971 1.00 0.51 O ATOM 0 H GLU A 76 -4.119 1.471 -7.569 1.00 53.10 H new ATOM 0 HA GLU A 76 -2.497 -0.742 -6.918 1.00 43.34 H new ATOM 0 HB2 GLU A 76 -5.525 -0.455 -6.814 1.00 23.23 H new ATOM 0 HB3 GLU A 76 -4.572 -1.632 -5.933 1.00 23.23 H new ATOM 0 HG2 GLU A 76 -3.895 -0.124 -4.357 1.00 71.11 H new ATOM 0 HG3 GLU A 76 -3.778 1.196 -5.504 1.00 71.11 H new ATOM 1148 N TRP A 77 -4.388 -1.065 -9.552 1.00 44.14 N ATOM 1149 CA TRP A 77 -4.694 -1.924 -10.691 1.00 4.12 C ATOM 1150 C TRP A 77 -3.428 -2.268 -11.469 1.00 13.21 C ATOM 1151 O TRP A 77 -3.320 -3.348 -12.051 1.00 50.34 O ATOM 1152 CB TRP A 77 -5.705 -1.242 -11.613 1.00 41.54 C ATOM 1153 CG TRP A 77 -6.354 -2.183 -12.582 1.00 53.34 C ATOM 1154 CD1 TRP A 77 -7.575 -2.781 -12.451 1.00 41.10 C ATOM 1155 CD2 TRP A 77 -5.816 -2.635 -13.830 1.00 0.52 C ATOM 1156 NE1 TRP A 77 -7.828 -3.578 -13.542 1.00 2.53 N ATOM 1157 CE2 TRP A 77 -6.765 -3.504 -14.402 1.00 63.33 C ATOM 1158 CE3 TRP A 77 -4.626 -2.388 -14.520 1.00 12.42 C ATOM 1159 CZ2 TRP A 77 -6.558 -4.127 -15.630 1.00 64.02 C ATOM 1160 CZ3 TRP A 77 -4.422 -3.007 -15.738 1.00 40.42 C ATOM 1161 CH2 TRP A 77 -5.384 -3.867 -16.284 1.00 23.31 C ATOM 0 H TRP A 77 -4.741 -0.112 -9.636 1.00 44.14 H new ATOM 0 HA TRP A 77 -5.127 -2.849 -10.311 1.00 4.12 H new ATOM 0 HB2 TRP A 77 -6.476 -0.767 -11.007 1.00 41.54 H new ATOM 0 HB3 TRP A 77 -5.203 -0.449 -12.168 1.00 41.54 H new ATOM 0 HD1 TRP A 77 -8.243 -2.647 -11.613 1.00 41.10 H new ATOM 0 HE1 TRP A 77 -8.671 -4.134 -13.687 1.00 2.53 H new ATOM 0 HE3 TRP A 77 -3.879 -1.725 -14.108 1.00 12.42 H new ATOM 0 HZ2 TRP A 77 -7.298 -4.792 -16.051 1.00 64.02 H new ATOM 0 HZ3 TRP A 77 -3.505 -2.825 -16.279 1.00 40.42 H new ATOM 0 HH2 TRP A 77 -5.196 -4.334 -17.239 1.00 23.31 H new ATOM 1172 N LEU A 78 -2.473 -1.344 -11.475 1.00 34.42 N ATOM 1173 CA LEU A 78 -1.214 -1.551 -12.182 1.00 11.41 C ATOM 1174 C LEU A 78 -0.365 -2.608 -11.484 1.00 63.12 C ATOM 1175 O LEU A 78 0.111 -3.553 -12.114 1.00 52.35 O ATOM 1176 CB LEU A 78 -0.437 -0.236 -12.275 1.00 15.03 C ATOM 1177 CG LEU A 78 -0.937 0.767 -13.315 1.00 74.12 C ATOM 1178 CD1 LEU A 78 -0.645 2.191 -12.868 1.00 21.42 C ATOM 1179 CD2 LEU A 78 -0.303 0.491 -14.670 1.00 64.43 C ATOM 0 H LEU A 78 -2.547 -0.445 -10.999 1.00 34.42 H new ATOM 0 HA LEU A 78 -1.444 -1.902 -13.188 1.00 11.41 H new ATOM 0 HB2 LEU A 78 -0.457 0.245 -11.297 1.00 15.03 H new ATOM 0 HB3 LEU A 78 0.605 -0.468 -12.495 1.00 15.03 H new ATOM 0 HG LEU A 78 -2.017 0.653 -13.411 1.00 74.12 H new ATOM 0 HD11 LEU A 78 -1.008 2.890 -13.621 1.00 21.42 H new ATOM 0 HD12 LEU A 78 -1.147 2.385 -11.920 1.00 21.42 H new ATOM 0 HD13 LEU A 78 0.430 2.320 -12.742 1.00 21.42 H new ATOM 0 HD21 LEU A 78 -0.670 1.214 -15.398 1.00 64.43 H new ATOM 0 HD22 LEU A 78 0.781 0.576 -14.589 1.00 64.43 H new ATOM 0 HD23 LEU A 78 -0.564 -0.516 -14.996 1.00 64.43 H new ATOM 1191 N VAL A 79 -0.179 -2.444 -10.178 1.00 54.21 N ATOM 1192 CA VAL A 79 0.610 -3.386 -9.394 1.00 13.15 C ATOM 1193 C VAL A 79 -0.011 -4.778 -9.419 1.00 72.04 C ATOM 1194 O VAL A 79 0.687 -5.782 -9.284 1.00 32.41 O ATOM 1195 CB VAL A 79 0.745 -2.923 -7.931 1.00 33.03 C ATOM 1196 CG1 VAL A 79 -0.626 -2.676 -7.320 1.00 13.11 C ATOM 1197 CG2 VAL A 79 1.523 -3.947 -7.118 1.00 52.10 C ATOM 0 H VAL A 79 -0.564 -1.667 -9.641 1.00 54.21 H new ATOM 0 HA VAL A 79 1.600 -3.425 -9.849 1.00 13.15 H new ATOM 0 HB VAL A 79 1.298 -1.984 -7.915 1.00 33.03 H new ATOM 0 HG11 VAL A 79 -0.510 -2.350 -6.286 1.00 13.11 H new ATOM 0 HG12 VAL A 79 -1.144 -1.904 -7.889 1.00 13.11 H new ATOM 0 HG13 VAL A 79 -1.208 -3.598 -7.347 1.00 13.11 H new ATOM 0 HG21 VAL A 79 1.609 -3.604 -6.087 1.00 52.10 H new ATOM 0 HG22 VAL A 79 0.999 -4.903 -7.140 1.00 52.10 H new ATOM 0 HG23 VAL A 79 2.519 -4.069 -7.544 1.00 52.10 H new ATOM 1207 N MET A 80 -1.328 -4.830 -9.595 1.00 5.33 N ATOM 1208 CA MET A 80 -2.043 -6.100 -9.640 1.00 42.33 C ATOM 1209 C MET A 80 -1.439 -7.027 -10.690 1.00 44.54 C ATOM 1210 O MET A 80 -1.184 -8.200 -10.423 1.00 23.34 O ATOM 1211 CB MET A 80 -3.524 -5.865 -9.942 1.00 51.21 C ATOM 1212 CG MET A 80 -4.324 -7.148 -10.094 1.00 34.24 C ATOM 1213 SD MET A 80 -6.098 -6.850 -10.216 1.00 35.12 S ATOM 1214 CE MET A 80 -6.134 -5.488 -11.379 1.00 24.41 C ATOM 0 H MET A 80 -1.921 -4.008 -9.709 1.00 5.33 H new ATOM 0 HA MET A 80 -1.950 -6.576 -8.664 1.00 42.33 H new ATOM 0 HB2 MET A 80 -3.959 -5.268 -9.141 1.00 51.21 H new ATOM 0 HB3 MET A 80 -3.611 -5.281 -10.858 1.00 51.21 H new ATOM 0 HG2 MET A 80 -3.987 -7.679 -10.984 1.00 34.24 H new ATOM 0 HG3 MET A 80 -4.126 -7.798 -9.242 1.00 34.24 H new ATOM 0 HE1 MET A 80 -7.089 -5.484 -11.905 1.00 24.41 H new ATOM 0 HE2 MET A 80 -6.011 -4.548 -10.842 1.00 24.41 H new ATOM 0 HE3 MET A 80 -5.324 -5.603 -12.099 1.00 24.41 H new ATOM 1224 N MET A 81 -1.213 -6.491 -11.886 1.00 24.42 N ATOM 1225 CA MET A 81 -0.637 -7.271 -12.975 1.00 74.44 C ATOM 1226 C MET A 81 0.808 -7.651 -12.668 1.00 74.42 C ATOM 1227 O MET A 81 1.205 -8.804 -12.836 1.00 41.12 O ATOM 1228 CB MET A 81 -0.702 -6.483 -14.285 1.00 73.20 C ATOM 1229 CG MET A 81 -0.844 -7.362 -15.517 1.00 71.20 C ATOM 1230 SD MET A 81 -2.540 -7.912 -15.787 1.00 11.14 S ATOM 1231 CE MET A 81 -3.370 -6.343 -16.027 1.00 34.15 C ATOM 0 H MET A 81 -1.420 -5.521 -12.125 1.00 24.42 H new ATOM 0 HA MET A 81 -1.220 -8.186 -13.080 1.00 74.44 H new ATOM 0 HB2 MET A 81 -1.544 -5.792 -14.243 1.00 73.20 H new ATOM 0 HB3 MET A 81 0.201 -5.879 -14.382 1.00 73.20 H new ATOM 0 HG2 MET A 81 -0.501 -6.811 -16.393 1.00 71.20 H new ATOM 0 HG3 MET A 81 -0.196 -8.232 -15.414 1.00 71.20 H new ATOM 0 HE1 MET A 81 -4.079 -6.178 -15.215 1.00 34.15 H new ATOM 0 HE2 MET A 81 -2.634 -5.539 -16.034 1.00 34.15 H new ATOM 0 HE3 MET A 81 -3.903 -6.355 -16.978 1.00 34.15 H new ATOM 1241 N ALA A 82 1.589 -6.675 -12.218 1.00 34.02 N ATOM 1242 CA ALA A 82 2.989 -6.908 -11.886 1.00 34.34 C ATOM 1243 C ALA A 82 3.129 -8.009 -10.840 1.00 34.31 C ATOM 1244 O ALA A 82 4.110 -8.752 -10.835 1.00 21.40 O ATOM 1245 CB ALA A 82 3.635 -5.623 -11.391 1.00 50.31 C ATOM 0 H ALA A 82 1.276 -5.715 -12.075 1.00 34.02 H new ATOM 0 HA ALA A 82 3.502 -7.235 -12.791 1.00 34.34 H new ATOM 0 HB1 ALA A 82 4.680 -5.812 -11.147 1.00 50.31 H new ATOM 0 HB2 ALA A 82 3.576 -4.863 -12.170 1.00 50.31 H new ATOM 0 HB3 ALA A 82 3.112 -5.272 -10.501 1.00 50.31 H new ATOM 1251 N ARG A 83 2.142 -8.108 -9.955 1.00 54.24 N ATOM 1252 CA ARG A 83 2.156 -9.117 -8.904 1.00 24.35 C ATOM 1253 C ARG A 83 2.118 -10.522 -9.498 1.00 32.23 C ATOM 1254 O ARG A 83 2.590 -11.480 -8.884 1.00 0.33 O ATOM 1255 CB ARG A 83 0.969 -8.918 -7.960 1.00 30.33 C ATOM 1256 CG ARG A 83 0.785 -10.053 -6.965 1.00 11.30 C ATOM 1257 CD ARG A 83 -0.450 -9.842 -6.102 1.00 64.43 C ATOM 1258 NE ARG A 83 -1.164 -11.092 -5.856 1.00 13.25 N ATOM 1259 CZ ARG A 83 -0.696 -12.066 -5.083 1.00 71.15 C ATOM 1260 NH1 ARG A 83 0.480 -11.936 -4.486 1.00 3.31 N ATOM 1261 NH2 ARG A 83 -1.405 -13.174 -4.907 1.00 53.34 N ATOM 0 H ARG A 83 1.322 -7.501 -9.946 1.00 54.24 H new ATOM 0 HA ARG A 83 3.082 -9.005 -8.340 1.00 24.35 H new ATOM 0 HB2 ARG A 83 1.103 -7.985 -7.413 1.00 30.33 H new ATOM 0 HB3 ARG A 83 0.059 -8.813 -8.551 1.00 30.33 H new ATOM 0 HG2 ARG A 83 0.699 -10.998 -7.501 1.00 11.30 H new ATOM 0 HG3 ARG A 83 1.667 -10.127 -6.329 1.00 11.30 H new ATOM 0 HD2 ARG A 83 -0.156 -9.399 -5.151 1.00 64.43 H new ATOM 0 HD3 ARG A 83 -1.118 -9.133 -6.591 1.00 64.43 H new ATOM 0 HE ARG A 83 -2.072 -11.225 -6.302 1.00 13.25 H new ATOM 0 HH11 ARG A 83 1.028 -11.086 -4.619 1.00 3.31 H new ATOM 0 HH12 ARG A 83 0.837 -12.685 -3.893 1.00 3.31 H new ATOM 0 HH21 ARG A 83 -2.310 -13.278 -5.365 1.00 53.34 H new ATOM 0 HH22 ARG A 83 -1.045 -13.921 -4.313 1.00 53.34 H new ATOM 1275 N CYS A 84 1.552 -10.637 -10.694 1.00 64.41 N ATOM 1276 CA CYS A 84 1.451 -11.926 -11.371 1.00 13.51 C ATOM 1277 C CYS A 84 2.821 -12.403 -11.840 1.00 41.34 C ATOM 1278 O CYS A 84 3.048 -13.601 -12.008 1.00 3.53 O ATOM 1279 CB CYS A 84 0.496 -11.825 -12.562 1.00 24.42 C ATOM 1280 SG CYS A 84 -0.604 -13.248 -12.747 1.00 55.32 S ATOM 0 H CYS A 84 1.156 -9.855 -11.215 1.00 64.41 H new ATOM 0 HA CYS A 84 1.058 -12.653 -10.660 1.00 13.51 H new ATOM 0 HB2 CYS A 84 -0.108 -10.924 -12.455 1.00 24.42 H new ATOM 0 HB3 CYS A 84 1.081 -11.710 -13.475 1.00 24.42 H new ATOM 0 HG CYS A 84 -1.375 -13.070 -13.779 1.00 55.32 H new ATOM 1286 N MET A 85 3.730 -11.457 -12.053 1.00 24.03 N ATOM 1287 CA MET A 85 5.079 -11.781 -12.504 1.00 32.33 C ATOM 1288 C MET A 85 5.932 -12.289 -11.346 1.00 31.24 C ATOM 1289 O MET A 85 6.747 -13.196 -11.513 1.00 23.43 O ATOM 1290 CB MET A 85 5.737 -10.554 -13.137 1.00 73.02 C ATOM 1291 CG MET A 85 4.929 -9.950 -14.274 1.00 75.12 C ATOM 1292 SD MET A 85 5.156 -10.830 -15.832 1.00 11.34 S ATOM 1293 CE MET A 85 3.479 -11.361 -16.168 1.00 71.13 C ATOM 0 H MET A 85 3.557 -10.460 -11.921 1.00 24.03 H new ATOM 0 HA MET A 85 5.005 -12.571 -13.252 1.00 32.33 H new ATOM 0 HB2 MET A 85 5.890 -9.797 -12.368 1.00 73.02 H new ATOM 0 HB3 MET A 85 6.723 -10.832 -13.510 1.00 73.02 H new ATOM 0 HG2 MET A 85 3.872 -9.958 -14.008 1.00 75.12 H new ATOM 0 HG3 MET A 85 5.217 -8.907 -14.405 1.00 75.12 H new ATOM 0 HE1 MET A 85 3.455 -11.921 -17.103 1.00 71.13 H new ATOM 0 HE2 MET A 85 3.129 -11.997 -15.355 1.00 71.13 H new ATOM 0 HE3 MET A 85 2.831 -10.489 -16.251 1.00 71.13 H new ATOM 1303 N LYS A 86 5.739 -11.699 -10.171 1.00 41.51 N ATOM 1304 CA LYS A 86 6.490 -12.091 -8.984 1.00 74.23 C ATOM 1305 C LYS A 86 7.972 -12.254 -9.307 1.00 14.22 C ATOM 1306 O LYS A 86 8.651 -13.107 -8.736 1.00 11.14 O ATOM 1307 CB LYS A 86 5.935 -13.398 -8.414 1.00 74.41 C ATOM 1308 CG LYS A 86 5.450 -13.279 -6.980 1.00 14.23 C ATOM 1309 CD LYS A 86 6.537 -12.738 -6.067 1.00 1.23 C ATOM 1310 CE LYS A 86 7.667 -13.740 -5.891 1.00 22.51 C ATOM 1311 NZ LYS A 86 8.894 -13.102 -5.340 1.00 25.02 N ATOM 0 H LYS A 86 5.068 -10.947 -10.015 1.00 41.51 H new ATOM 0 HA LYS A 86 6.383 -11.302 -8.240 1.00 74.23 H new ATOM 0 HB2 LYS A 86 5.110 -13.736 -9.041 1.00 74.41 H new ATOM 0 HB3 LYS A 86 6.709 -14.164 -8.465 1.00 74.41 H new ATOM 0 HG2 LYS A 86 4.581 -12.622 -6.942 1.00 14.23 H new ATOM 0 HG3 LYS A 86 5.126 -14.256 -6.622 1.00 14.23 H new ATOM 0 HD2 LYS A 86 6.933 -11.811 -6.481 1.00 1.23 H new ATOM 0 HD3 LYS A 86 6.109 -12.496 -5.094 1.00 1.23 H new ATOM 0 HE2 LYS A 86 7.343 -14.539 -5.225 1.00 22.51 H new ATOM 0 HE3 LYS A 86 7.897 -14.200 -6.852 1.00 22.51 H new ATOM 0 HZ1 LYS A 86 9.606 -13.833 -5.140 1.00 25.02 H new ATOM 0 HZ2 LYS A 86 9.276 -12.428 -6.034 1.00 25.02 H new ATOM 0 HZ3 LYS A 86 8.659 -12.598 -4.461 1.00 25.02 H new ATOM 1325 N ASP A 87 8.467 -11.430 -10.224 1.00 14.33 N ATOM 1326 CA ASP A 87 9.869 -11.481 -10.620 1.00 41.50 C ATOM 1327 C ASP A 87 10.342 -12.924 -10.762 1.00 74.02 C ATOM 1328 O ASP A 87 11.460 -13.262 -10.376 1.00 25.34 O ATOM 1329 CB ASP A 87 10.737 -10.745 -9.598 1.00 30.13 C ATOM 1330 CG ASP A 87 10.773 -11.449 -8.256 1.00 31.15 C ATOM 1331 OD1 ASP A 87 9.857 -11.217 -7.440 1.00 12.04 O ATOM 1332 OD2 ASP A 87 11.718 -12.232 -8.021 1.00 13.33 O ATOM 0 H ASP A 87 7.918 -10.719 -10.707 1.00 14.33 H new ATOM 0 HA ASP A 87 9.965 -10.989 -11.588 1.00 41.50 H new ATOM 0 HB2 ASP A 87 11.752 -10.655 -9.985 1.00 30.13 H new ATOM 0 HB3 ASP A 87 10.356 -9.733 -9.464 1.00 30.13 H new ATOM 1337 N ASP A 88 9.482 -13.770 -11.318 1.00 72.41 N ATOM 1338 CA ASP A 88 9.811 -15.178 -11.511 1.00 40.14 C ATOM 1339 C ASP A 88 10.271 -15.437 -12.943 1.00 4.44 C ATOM 1340 O ASP A 88 9.473 -15.395 -13.879 1.00 24.41 O ATOM 1341 CB ASP A 88 8.602 -16.056 -11.185 1.00 1.02 C ATOM 1342 CG ASP A 88 8.970 -17.521 -11.050 1.00 52.44 C ATOM 1343 OD1 ASP A 88 10.027 -17.814 -10.455 1.00 22.21 O ATOM 1344 OD2 ASP A 88 8.201 -18.373 -11.542 1.00 35.34 O ATOM 0 H ASP A 88 8.552 -13.506 -11.643 1.00 72.41 H new ATOM 0 HA ASP A 88 10.627 -15.431 -10.834 1.00 40.14 H new ATOM 0 HB2 ASP A 88 8.146 -15.712 -10.257 1.00 1.02 H new ATOM 0 HB3 ASP A 88 7.853 -15.943 -11.969 1.00 1.02 H new ATOM 1349 N SER A 89 11.564 -15.702 -13.104 1.00 72.23 N ATOM 1350 CA SER A 89 12.132 -15.963 -14.422 1.00 14.31 C ATOM 1351 C SER A 89 11.907 -14.776 -15.354 1.00 64.13 C ATOM 1352 O SER A 89 12.113 -14.909 -16.560 1.00 12.02 O ATOM 1353 CB SER A 89 11.514 -17.225 -15.026 1.00 54.24 C ATOM 1354 OG SER A 89 11.351 -18.234 -14.045 1.00 2.23 O ATOM 0 H SER A 89 12.237 -15.742 -12.339 1.00 72.23 H new ATOM 0 HA SER A 89 13.205 -16.113 -14.305 1.00 14.31 H new ATOM 0 HB2 SER A 89 10.547 -16.984 -15.468 1.00 54.24 H new ATOM 0 HB3 SER A 89 12.149 -17.595 -15.831 1.00 54.24 H new ATOM 0 HG SER A 89 10.953 -19.029 -14.457 1.00 2.23 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.475 1.846 -3.790 1.00 23.14 CA