USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 ASN :FLIP amide:sc= -3.24! C(o=-5.8!,f=-3.6!) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.333 K(o=-3.6,f=-5.1) USER MOD Set 2.1: A 12 THR OG1 : rot 150:sc= 0.686 USER MOD Set 2.2: A 15 HIS : no HD1:sc= -22.8! C(o=-22!,f=-32!) USER MOD Single : A 1 MET CE :methyl -165:sc= 0 (180deg=-0.405) USER MOD Single : A 1 MET N :NH3+ -159:sc= -1.76! (180deg=-3.48!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -13.5! C(o=-20!,f=-13!) USER MOD Single : A 20 THR OG1 : rot 103:sc= -0.107! USER MOD Single : A 24 GLN : amide:sc= -0.0841 X(o=-0.084,f=-0.084) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -44:sc= 0.959 USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= 0.959 (180deg=-0.73!) USER MOD Single : A 30 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.46) USER MOD Single : A 31 SER OG : rot 15:sc= -6.32! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= -10.9! (180deg=-11.2!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.546 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 160:sc= -0.433 USER MOD Single : A 48 MET CE :methyl 175:sc= -2.2! (180deg=-2.24!) USER MOD Single : A 51 MET CE :methyl 161:sc= -3.56! (180deg=-4.48!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 62 THR OG1 : rot 130:sc= -8.11! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 74 MET CE :methyl -117:sc= -4.45! (180deg=-5.91!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0068 USER MOD Single : A 82 GLN : amide:sc= -11! C(o=-11!,f=-12!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc=-0.00937 X(o=-0.0094,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.665 -12.565 -8.450 1.00 1.00 N ATOM 2 CA MET A 1 -0.177 -11.419 -9.198 1.00 1.00 C ATOM 3 C MET A 1 -1.326 -10.483 -9.581 1.00 1.00 C ATOM 4 O MET A 1 -1.895 -10.604 -10.665 1.00 1.00 O ATOM 5 CB MET A 1 0.533 -11.901 -10.466 1.00 1.00 C ATOM 6 CG MET A 1 1.446 -13.090 -10.163 1.00 1.00 C ATOM 7 SD MET A 1 1.101 -14.428 -11.294 1.00 1.00 S ATOM 8 CE MET A 1 -0.343 -15.129 -10.513 1.00 1.00 C ATOM 0 H1 MET A 1 0.117 -12.984 -7.907 1.00 1.00 H new ATOM 0 H2 MET A 1 -1.415 -12.260 -7.798 1.00 1.00 H new ATOM 0 H3 MET A 1 -1.046 -13.273 -9.109 1.00 1.00 H new ATOM 0 HA MET A 1 0.520 -10.868 -8.567 1.00 1.00 H new ATOM 0 HB2 MET A 1 -0.206 -12.186 -11.215 1.00 1.00 H new ATOM 0 HB3 MET A 1 1.119 -11.086 -10.891 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.490 -12.789 -10.250 1.00 1.00 H new ATOM 0 HG3 MET A 1 1.295 -13.423 -9.136 1.00 1.00 H new ATOM 0 HE1 MET A 1 -0.535 -16.120 -10.925 1.00 1.00 H new ATOM 0 HE2 MET A 1 -0.173 -15.210 -9.439 1.00 1.00 H new ATOM 0 HE3 MET A 1 -1.204 -14.486 -10.697 1.00 1.00 H new ATOM 18 N GLU A 2 -1.632 -9.572 -8.670 1.00 1.00 N ATOM 19 CA GLU A 2 -2.703 -8.616 -8.898 1.00 1.00 C ATOM 20 C GLU A 2 -2.340 -7.258 -8.293 1.00 1.00 C ATOM 21 O GLU A 2 -2.453 -7.063 -7.084 1.00 1.00 O ATOM 22 CB GLU A 2 -4.028 -9.132 -8.332 1.00 1.00 C ATOM 23 CG GLU A 2 -4.502 -10.373 -9.090 1.00 1.00 C ATOM 24 CD GLU A 2 -6.018 -10.344 -9.295 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.701 -9.795 -8.404 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.459 -10.872 -10.339 1.00 1.00 O ATOM 0 H GLU A 2 -1.157 -9.475 -7.772 1.00 1.00 H new ATOM 0 HA GLU A 2 -2.829 -8.491 -9.973 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -3.908 -9.371 -7.275 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.785 -8.350 -8.398 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -4.002 -10.426 -10.057 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.223 -11.270 -8.537 1.00 1.00 H new ATOM 33 N LYS A 3 -1.911 -6.355 -9.163 1.00 1.00 N ATOM 34 CA LYS A 3 -1.531 -5.022 -8.730 1.00 1.00 C ATOM 35 C LYS A 3 -2.746 -4.096 -8.816 1.00 1.00 C ATOM 36 O LYS A 3 -3.626 -4.297 -9.652 1.00 1.00 O ATOM 37 CB LYS A 3 -0.322 -4.524 -9.526 1.00 1.00 C ATOM 38 CG LYS A 3 -0.677 -3.278 -10.340 1.00 1.00 C ATOM 39 CD LYS A 3 0.399 -2.982 -11.387 1.00 1.00 C ATOM 40 CE LYS A 3 0.368 -4.018 -12.513 1.00 1.00 C ATOM 41 NZ LYS A 3 0.444 -3.351 -13.832 1.00 1.00 N ATOM 0 H LYS A 3 -1.818 -6.521 -10.165 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.214 -5.037 -7.687 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.498 -4.296 -8.845 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.028 -5.311 -10.194 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.639 -3.423 -10.832 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.786 -2.423 -9.673 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.245 -1.985 -11.801 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.381 -2.982 -10.914 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.202 -4.711 -12.401 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.547 -4.607 -12.449 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.422 -4.068 -14.585 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -0.365 -2.707 -13.943 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.329 -2.809 -13.896 1.00 1.00 H new ATOM 55 N LYS A 4 -2.757 -3.103 -7.939 1.00 1.00 N ATOM 56 CA LYS A 4 -3.850 -2.146 -7.905 1.00 1.00 C ATOM 57 C LYS A 4 -3.292 -0.751 -7.615 1.00 1.00 C ATOM 58 O LYS A 4 -2.813 -0.488 -6.513 1.00 1.00 O ATOM 59 CB LYS A 4 -4.926 -2.597 -6.916 1.00 1.00 C ATOM 60 CG LYS A 4 -6.201 -1.767 -7.076 1.00 1.00 C ATOM 61 CD LYS A 4 -6.952 -2.158 -8.351 1.00 1.00 C ATOM 62 CE LYS A 4 -8.158 -1.244 -8.578 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.836 -1.587 -9.848 1.00 1.00 N ATOM 0 H LYS A 4 -2.026 -2.940 -7.246 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.344 -2.096 -8.876 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.152 -3.651 -7.075 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.551 -2.501 -5.897 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.846 -1.914 -6.210 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -5.948 -0.707 -7.109 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.279 -2.098 -9.207 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.284 -3.194 -8.279 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.857 -1.342 -7.748 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.834 -0.204 -8.601 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.652 -0.957 -9.987 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.171 -1.471 -10.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.162 -2.574 -9.812 1.00 1.00 H new ATOM 77 N GLU A 5 -3.373 0.105 -8.622 1.00 1.00 N ATOM 78 CA GLU A 5 -2.883 1.467 -8.488 1.00 1.00 C ATOM 79 C GLU A 5 -3.921 2.337 -7.778 1.00 1.00 C ATOM 80 O GLU A 5 -5.121 2.089 -7.882 1.00 1.00 O ATOM 81 CB GLU A 5 -2.516 2.054 -9.852 1.00 1.00 C ATOM 82 CG GLU A 5 -1.622 1.094 -10.640 1.00 1.00 C ATOM 83 CD GLU A 5 -2.412 0.391 -11.746 1.00 1.00 C ATOM 84 OE1 GLU A 5 -2.863 1.109 -12.665 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.547 -0.847 -11.647 1.00 1.00 O ATOM 0 H GLU A 5 -3.771 -0.117 -9.535 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.977 1.449 -7.882 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.424 2.260 -10.419 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -2.003 3.006 -9.716 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.788 1.644 -11.077 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.196 0.352 -9.965 1.00 1.00 H new ATOM 92 N PHE A 6 -3.421 3.340 -7.070 1.00 1.00 N ATOM 93 CA PHE A 6 -4.290 4.249 -6.343 1.00 1.00 C ATOM 94 C PHE A 6 -3.658 5.637 -6.227 1.00 1.00 C ATOM 95 O PHE A 6 -2.608 5.896 -6.812 1.00 1.00 O ATOM 96 CB PHE A 6 -4.473 3.666 -4.940 1.00 1.00 C ATOM 97 CG PHE A 6 -5.049 2.249 -4.925 1.00 1.00 C ATOM 98 CD1 PHE A 6 -6.182 1.968 -5.623 1.00 1.00 C ATOM 99 CD2 PHE A 6 -4.428 1.270 -4.214 1.00 1.00 C ATOM 100 CE1 PHE A 6 -6.717 0.652 -5.610 1.00 1.00 C ATOM 101 CE2 PHE A 6 -4.963 -0.046 -4.201 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.096 -0.327 -4.899 1.00 1.00 C ATOM 0 H PHE A 6 -2.425 3.543 -6.985 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.240 4.355 -6.867 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.509 3.661 -4.431 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.131 4.321 -4.369 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -6.675 2.746 -6.187 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -3.528 1.493 -3.659 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -7.617 0.429 -6.165 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -4.470 -0.824 -3.637 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.503 -1.328 -4.889 1.00 1.00 H new ATOM 112 N HIS A 7 -4.324 6.494 -5.467 1.00 1.00 N ATOM 113 CA HIS A 7 -3.840 7.850 -5.266 1.00 1.00 C ATOM 114 C HIS A 7 -4.275 8.351 -3.888 1.00 1.00 C ATOM 115 O HIS A 7 -5.416 8.142 -3.479 1.00 1.00 O ATOM 116 CB HIS A 7 -4.301 8.765 -6.403 1.00 1.00 C ATOM 117 CG HIS A 7 -4.597 10.181 -5.969 1.00 1.00 C ATOM 118 ND1 HIS A 7 -5.421 10.660 -4.994 1.00 1.00 N flip ATOM 119 CD2 HIS A 7 -4.014 11.285 -6.566 1.00 1.00 C flip ATOM 120 CE1 HIS A 7 -5.344 11.985 -4.993 1.00 1.00 C flip ATOM 121 NE2 HIS A 7 -4.473 12.374 -5.968 1.00 1.00 N flip ATOM 0 H HIS A 7 -5.195 6.276 -4.983 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.750 7.859 -5.290 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.531 8.786 -7.174 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.196 8.340 -6.857 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -3.305 11.262 -7.381 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -5.882 12.646 -4.330 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -4.220 13.335 -6.197 1.00 1.00 H new ATOM 129 N ILE A 8 -3.342 9.003 -3.209 1.00 1.00 N ATOM 130 CA ILE A 8 -3.615 9.536 -1.885 1.00 1.00 C ATOM 131 C ILE A 8 -4.648 10.660 -1.995 1.00 1.00 C ATOM 132 O ILE A 8 -4.463 11.605 -2.760 1.00 1.00 O ATOM 133 CB ILE A 8 -2.314 9.962 -1.201 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.334 8.790 -1.110 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.593 10.584 0.169 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.079 7.459 -0.999 1.00 1.00 C ATOM 0 H ILE A 8 -2.396 9.174 -3.551 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.048 8.766 -1.246 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.841 10.730 -1.813 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.692 8.779 -1.991 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.685 8.921 -0.244 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.652 10.878 0.634 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.228 11.462 0.048 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.099 9.856 0.803 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.359 6.643 -0.936 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.701 7.464 -0.104 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.709 7.320 -1.878 1.00 1.00 H new ATOM 148 N VAL A 9 -5.713 10.519 -1.220 1.00 1.00 N ATOM 149 CA VAL A 9 -6.775 11.510 -1.220 1.00 1.00 C ATOM 150 C VAL A 9 -6.956 12.058 0.196 1.00 1.00 C ATOM 151 O VAL A 9 -7.869 12.843 0.450 1.00 1.00 O ATOM 152 CB VAL A 9 -8.057 10.902 -1.794 1.00 1.00 C ATOM 153 CG1 VAL A 9 -7.914 10.638 -3.295 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.441 9.624 -1.046 1.00 1.00 C ATOM 0 H VAL A 9 -5.863 9.733 -0.588 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.513 12.351 -1.862 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.861 11.624 -1.656 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.839 10.206 -3.678 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.710 11.576 -3.812 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.091 9.944 -3.466 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.355 9.213 -1.474 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.637 8.894 -1.137 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.605 9.854 0.007 1.00 1.00 H new ATOM 164 N ALA A 10 -6.072 11.624 1.082 1.00 1.00 N ATOM 165 CA ALA A 10 -6.122 12.061 2.467 1.00 1.00 C ATOM 166 C ALA A 10 -5.402 13.405 2.599 1.00 1.00 C ATOM 167 O ALA A 10 -5.613 14.134 3.567 1.00 1.00 O ATOM 168 CB ALA A 10 -5.514 10.983 3.366 1.00 1.00 C ATOM 0 H ALA A 10 -5.316 10.974 0.868 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.154 12.207 2.786 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.552 11.312 4.405 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.079 10.057 3.257 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.477 10.811 3.077 1.00 1.00 H new ATOM 174 N GLU A 11 -4.565 13.691 1.612 1.00 1.00 N ATOM 175 CA GLU A 11 -3.813 14.934 1.606 1.00 1.00 C ATOM 176 C GLU A 11 -3.178 15.177 2.977 1.00 1.00 C ATOM 177 O GLU A 11 -2.756 16.291 3.281 1.00 1.00 O ATOM 178 CB GLU A 11 -4.701 16.111 1.197 1.00 1.00 C ATOM 179 CG GLU A 11 -5.817 16.337 2.218 1.00 1.00 C ATOM 180 CD GLU A 11 -6.549 17.653 1.948 1.00 1.00 C ATOM 181 OE1 GLU A 11 -7.134 17.761 0.849 1.00 1.00 O ATOM 182 OE2 GLU A 11 -6.508 18.520 2.847 1.00 1.00 O ATOM 0 H GLU A 11 -4.391 13.083 0.811 1.00 1.00 H new ATOM 0 HA GLU A 11 -3.016 14.849 0.868 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -4.096 17.014 1.108 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.135 15.920 0.215 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.524 15.509 2.178 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.397 16.350 3.224 1.00 1.00 H new ATOM 189 N THR A 12 -3.130 14.115 3.768 1.00 1.00 N ATOM 190 CA THR A 12 -2.554 14.198 5.099 1.00 1.00 C ATOM 191 C THR A 12 -1.026 14.203 5.020 1.00 1.00 C ATOM 192 O THR A 12 -0.382 15.159 5.450 1.00 1.00 O ATOM 193 CB THR A 12 -3.115 13.043 5.931 1.00 1.00 C ATOM 194 OG1 THR A 12 -3.263 13.595 7.236 1.00 1.00 O ATOM 195 CG2 THR A 12 -2.104 11.911 6.118 1.00 1.00 C ATOM 0 H THR A 12 -3.481 13.192 3.512 1.00 1.00 H new ATOM 0 HA THR A 12 -2.826 15.133 5.589 1.00 1.00 H new ATOM 0 HB THR A 12 -4.012 12.653 5.451 1.00 1.00 H new ATOM 0 HG1 THR A 12 -4.009 13.155 7.695 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.553 11.117 6.715 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.818 11.514 5.144 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.220 12.293 6.628 1.00 1.00 H new ATOM 203 N GLY A 13 -0.491 13.125 4.467 1.00 1.00 N ATOM 204 CA GLY A 13 0.949 12.993 4.326 1.00 1.00 C ATOM 205 C GLY A 13 1.403 11.567 4.642 1.00 1.00 C ATOM 206 O GLY A 13 2.555 11.345 5.012 1.00 1.00 O ATOM 0 H GLY A 13 -1.029 12.335 4.111 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.244 13.255 3.310 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.449 13.694 4.994 1.00 1.00 H new ATOM 210 N ILE A 14 0.473 10.636 4.486 1.00 1.00 N ATOM 211 CA ILE A 14 0.763 9.237 4.751 1.00 1.00 C ATOM 212 C ILE A 14 1.770 9.137 5.899 1.00 1.00 C ATOM 213 O ILE A 14 2.948 8.867 5.674 1.00 1.00 O ATOM 214 CB ILE A 14 1.218 8.532 3.471 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.034 8.269 2.539 1.00 1.00 C ATOM 216 CG2 ILE A 14 1.989 7.251 3.795 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.997 9.396 2.631 1.00 1.00 C ATOM 0 H ILE A 14 -0.482 10.823 4.179 1.00 1.00 H new ATOM 0 HA ILE A 14 -0.139 8.716 5.072 1.00 1.00 H new ATOM 0 HB ILE A 14 1.903 9.194 2.941 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.388 8.178 1.512 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.435 7.320 2.800 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.301 6.770 2.868 1.00 1.00 H new ATOM 0 HG22 ILE A 14 2.869 7.496 4.390 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.348 6.573 4.358 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.828 9.184 1.959 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.367 9.468 3.654 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.531 10.339 2.346 1.00 1.00 H new ATOM 229 N HIS A 15 1.268 9.361 7.104 1.00 1.00 N ATOM 230 CA HIS A 15 2.109 9.300 8.288 1.00 1.00 C ATOM 231 C HIS A 15 1.931 7.945 8.975 1.00 1.00 C ATOM 232 O HIS A 15 1.123 7.126 8.539 1.00 1.00 O ATOM 233 CB HIS A 15 1.821 10.479 9.220 1.00 1.00 C ATOM 234 CG HIS A 15 0.379 10.928 9.217 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.572 10.401 10.073 1.00 1.00 N ATOM 236 CD2 HIS A 15 -0.263 11.858 8.453 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.730 10.994 9.827 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.537 11.896 8.823 1.00 1.00 N ATOM 0 H HIS A 15 0.290 9.585 7.287 1.00 1.00 H new ATOM 0 HA HIS A 15 3.156 9.387 7.999 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.102 10.202 10.236 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.453 11.319 8.932 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.189 12.461 7.679 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.664 10.798 10.333 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -2.254 12.501 8.422 1.00 1.00 H new ATOM 246 N ALA A 16 2.698 7.750 10.037 1.00 1.00 N ATOM 247 CA ALA A 16 2.636 6.508 10.788 1.00 1.00 C ATOM 248 C ALA A 16 1.178 6.058 10.900 1.00 1.00 C ATOM 249 O ALA A 16 0.890 4.862 10.869 1.00 1.00 O ATOM 250 CB ALA A 16 3.292 6.705 12.156 1.00 1.00 C ATOM 0 H ALA A 16 3.366 8.432 10.396 1.00 1.00 H new ATOM 0 HA ALA A 16 3.186 5.720 10.273 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.245 5.773 12.719 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.334 6.996 12.021 1.00 1.00 H new ATOM 0 HB3 ALA A 16 2.765 7.487 12.703 1.00 1.00 H new ATOM 256 N ARG A 17 0.297 7.039 11.027 1.00 1.00 N ATOM 257 CA ARG A 17 -1.124 6.759 11.144 1.00 1.00 C ATOM 258 C ARG A 17 -1.648 6.127 9.853 1.00 1.00 C ATOM 259 O ARG A 17 -1.925 4.929 9.811 1.00 1.00 O ATOM 260 CB ARG A 17 -1.915 8.035 11.437 1.00 1.00 C ATOM 261 CG ARG A 17 -2.193 8.176 12.935 1.00 1.00 C ATOM 262 CD ARG A 17 -0.889 8.300 13.725 1.00 1.00 C ATOM 263 NE ARG A 17 -0.622 9.722 14.041 1.00 1.00 N ATOM 264 CZ ARG A 17 0.151 10.133 15.055 1.00 1.00 C ATOM 265 NH1 ARG A 17 0.738 9.235 15.857 1.00 1.00 N ATOM 266 NH2 ARG A 17 0.337 11.443 15.266 1.00 1.00 N ATOM 0 H ARG A 17 0.540 8.029 11.051 1.00 1.00 H new ATOM 0 HA ARG A 17 -1.258 6.064 11.973 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -1.357 8.902 11.084 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.857 8.017 10.889 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.815 9.054 13.112 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.755 7.311 13.287 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.955 7.720 14.646 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -0.063 7.886 13.147 1.00 1.00 H new ATOM 0 HE ARG A 17 -1.053 10.433 13.450 1.00 1.00 H new ATOM 0 HH11 ARG A 17 0.597 8.238 15.696 1.00 1.00 H new ATOM 0 HH12 ARG A 17 1.326 9.548 16.629 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -0.110 12.127 14.655 1.00 1.00 H new ATOM 0 HH22 ARG A 17 0.925 11.757 16.038 1.00 1.00 H new ATOM 280 N PRO A 18 -1.772 6.983 8.803 1.00 1.00 N ATOM 281 CA PRO A 18 -2.257 6.521 7.514 1.00 1.00 C ATOM 282 C PRO A 18 -1.182 5.719 6.778 1.00 1.00 C ATOM 283 O PRO A 18 -1.497 4.811 6.011 1.00 1.00 O ATOM 284 CB PRO A 18 -2.668 7.783 6.773 1.00 1.00 C ATOM 285 CG PRO A 18 -1.970 8.930 7.485 1.00 1.00 C ATOM 286 CD PRO A 18 -1.453 8.408 8.816 1.00 1.00 C ATOM 0 HA PRO A 18 -3.099 5.835 7.603 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.371 7.735 5.725 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.750 7.912 6.792 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -1.148 9.311 6.879 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.661 9.758 7.642 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -0.380 8.573 8.917 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.933 8.914 9.654 1.00 1.00 H new ATOM 294 N ALA A 19 0.065 6.084 7.038 1.00 1.00 N ATOM 295 CA ALA A 19 1.188 5.410 6.410 1.00 1.00 C ATOM 296 C ALA A 19 1.111 3.912 6.711 1.00 1.00 C ATOM 297 O ALA A 19 1.135 3.089 5.797 1.00 1.00 O ATOM 298 CB ALA A 19 2.496 6.036 6.896 1.00 1.00 C ATOM 0 H ALA A 19 0.322 6.838 7.675 1.00 1.00 H new ATOM 0 HA ALA A 19 1.152 5.531 5.327 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.339 5.530 6.425 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.514 7.093 6.632 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.569 5.931 7.978 1.00 1.00 H new ATOM 304 N THR A 20 1.021 3.603 7.996 1.00 1.00 N ATOM 305 CA THR A 20 0.941 2.218 8.429 1.00 1.00 C ATOM 306 C THR A 20 -0.436 1.636 8.103 1.00 1.00 C ATOM 307 O THR A 20 -0.553 0.458 7.769 1.00 1.00 O ATOM 308 CB THR A 20 1.284 2.168 9.919 1.00 1.00 C ATOM 309 OG1 THR A 20 2.074 3.334 10.133 1.00 1.00 O ATOM 310 CG2 THR A 20 2.225 1.012 10.265 1.00 1.00 C ATOM 0 H THR A 20 1.002 4.288 8.752 1.00 1.00 H new ATOM 0 HA THR A 20 1.658 1.595 7.894 1.00 1.00 H new ATOM 0 HB THR A 20 0.366 2.075 10.499 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.529 4.023 10.568 1.00 1.00 H new ATOM 0 HG21 THR A 20 2.436 1.022 11.334 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.753 0.066 9.998 1.00 1.00 H new ATOM 0 HG23 THR A 20 3.157 1.123 9.710 1.00 1.00 H new ATOM 318 N LEU A 21 -1.444 2.489 8.210 1.00 1.00 N ATOM 319 CA LEU A 21 -2.808 2.075 7.930 1.00 1.00 C ATOM 320 C LEU A 21 -2.816 1.147 6.713 1.00 1.00 C ATOM 321 O LEU A 21 -3.369 0.050 6.768 1.00 1.00 O ATOM 322 CB LEU A 21 -3.719 3.295 7.778 1.00 1.00 C ATOM 323 CG LEU A 21 -5.210 3.054 8.022 1.00 1.00 C ATOM 324 CD1 LEU A 21 -6.020 4.326 7.766 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.718 1.874 7.192 1.00 1.00 C ATOM 0 H LEU A 21 -1.343 3.465 8.487 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.212 1.507 8.768 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.378 4.066 8.469 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.596 3.692 6.771 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.346 2.791 9.071 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.076 4.127 7.947 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.680 5.115 8.436 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.882 4.643 6.732 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.780 1.724 7.384 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.567 2.082 6.133 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.169 0.973 7.467 1.00 1.00 H new ATOM 337 N LEU A 22 -2.194 1.621 5.644 1.00 1.00 N ATOM 338 CA LEU A 22 -2.122 0.848 4.416 1.00 1.00 C ATOM 339 C LEU A 22 -1.117 -0.292 4.594 1.00 1.00 C ATOM 340 O LEU A 22 -1.442 -1.454 4.352 1.00 1.00 O ATOM 341 CB LEU A 22 -1.813 1.759 3.226 1.00 1.00 C ATOM 342 CG LEU A 22 -0.713 2.799 3.445 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.419 2.622 2.431 1.00 1.00 C ATOM 344 CD2 LEU A 22 -1.286 4.217 3.424 1.00 1.00 C ATOM 0 H LEU A 22 -1.735 2.531 5.603 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.087 0.392 4.197 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.531 1.134 2.379 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.728 2.281 2.946 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.286 2.640 4.435 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.188 3.374 2.609 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.852 1.628 2.539 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.025 2.738 1.421 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.483 4.936 3.582 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.757 4.405 2.459 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -2.028 4.322 4.216 1.00 1.00 H new ATOM 356 N VAL A 23 0.082 0.080 5.017 1.00 1.00 N ATOM 357 CA VAL A 23 1.136 -0.897 5.231 1.00 1.00 C ATOM 358 C VAL A 23 0.649 -1.959 6.219 1.00 1.00 C ATOM 359 O VAL A 23 0.865 -3.152 6.010 1.00 1.00 O ATOM 360 CB VAL A 23 2.415 -0.195 5.691 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.445 1.258 5.213 1.00 1.00 C ATOM 362 CG2 VAL A 23 2.568 -0.275 7.211 1.00 1.00 C ATOM 0 H VAL A 23 0.347 1.044 5.217 1.00 1.00 H new ATOM 0 HA VAL A 23 1.378 -1.407 4.299 1.00 1.00 H new ATOM 0 HB VAL A 23 3.262 -0.713 5.241 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.365 1.734 5.553 1.00 1.00 H new ATOM 0 HG12 VAL A 23 2.405 1.284 4.124 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.587 1.793 5.620 1.00 1.00 H new ATOM 0 HG21 VAL A 23 3.485 0.232 7.512 1.00 1.00 H new ATOM 0 HG22 VAL A 23 1.714 0.206 7.688 1.00 1.00 H new ATOM 0 HG23 VAL A 23 2.614 -1.320 7.518 1.00 1.00 H new ATOM 372 N GLN A 24 -0.001 -1.487 7.273 1.00 1.00 N ATOM 373 CA GLN A 24 -0.521 -2.381 8.293 1.00 1.00 C ATOM 374 C GLN A 24 -1.525 -3.359 7.680 1.00 1.00 C ATOM 375 O GLN A 24 -1.552 -4.535 8.042 1.00 1.00 O ATOM 376 CB GLN A 24 -1.153 -1.593 9.442 1.00 1.00 C ATOM 377 CG GLN A 24 -2.480 -0.965 9.010 1.00 1.00 C ATOM 378 CD GLN A 24 -3.441 -0.845 10.195 1.00 1.00 C ATOM 379 OE1 GLN A 24 -4.448 -1.527 10.282 1.00 1.00 O ATOM 380 NE2 GLN A 24 -3.074 0.059 11.099 1.00 1.00 N ATOM 0 H GLN A 24 -0.179 -0.497 7.442 1.00 1.00 H new ATOM 0 HA GLN A 24 0.310 -2.955 8.704 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.319 -2.254 10.293 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.468 -0.813 9.773 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.298 0.021 8.583 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.936 -1.571 8.227 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -2.218 0.596 10.964 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -3.649 0.215 11.927 1.00 1.00 H new ATOM 389 N THR A 25 -2.327 -2.838 6.763 1.00 1.00 N ATOM 390 CA THR A 25 -3.330 -3.650 6.097 1.00 1.00 C ATOM 391 C THR A 25 -2.710 -4.403 4.918 1.00 1.00 C ATOM 392 O THR A 25 -3.158 -5.494 4.569 1.00 1.00 O ATOM 393 CB THR A 25 -4.487 -2.734 5.693 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.535 -3.080 6.594 1.00 1.00 O ATOM 395 CG2 THR A 25 -5.053 -3.080 4.313 1.00 1.00 C ATOM 0 H THR A 25 -2.302 -1.863 6.466 1.00 1.00 H new ATOM 0 HA THR A 25 -3.722 -4.419 6.762 1.00 1.00 H new ATOM 0 HB THR A 25 -4.148 -1.698 5.698 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.325 -2.532 6.404 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.871 -2.401 4.075 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.269 -2.981 3.563 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.423 -4.105 4.318 1.00 1.00 H new ATOM 403 N ALA A 26 -1.689 -3.790 4.338 1.00 1.00 N ATOM 404 CA ALA A 26 -1.003 -4.389 3.205 1.00 1.00 C ATOM 405 C ALA A 26 0.041 -5.384 3.715 1.00 1.00 C ATOM 406 O ALA A 26 0.257 -6.430 3.105 1.00 1.00 O ATOM 407 CB ALA A 26 -0.385 -3.287 2.342 1.00 1.00 C ATOM 0 H ALA A 26 -1.320 -2.885 4.631 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.705 -4.939 2.578 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.130 -3.736 1.492 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.171 -2.624 1.981 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.327 -2.715 2.937 1.00 1.00 H new ATOM 413 N SER A 27 0.661 -5.024 4.829 1.00 1.00 N ATOM 414 CA SER A 27 1.677 -5.872 5.428 1.00 1.00 C ATOM 415 C SER A 27 1.033 -6.833 6.430 1.00 1.00 C ATOM 416 O SER A 27 1.542 -7.017 7.535 1.00 1.00 O ATOM 417 CB SER A 27 2.759 -5.036 6.115 1.00 1.00 C ATOM 418 OG SER A 27 2.308 -4.496 7.355 1.00 1.00 O ATOM 0 H SER A 27 0.479 -4.156 5.333 1.00 1.00 H new ATOM 0 HA SER A 27 2.151 -6.449 4.634 1.00 1.00 H new ATOM 0 HB2 SER A 27 3.640 -5.654 6.288 1.00 1.00 H new ATOM 0 HB3 SER A 27 3.064 -4.224 5.455 1.00 1.00 H new ATOM 0 HG SER A 27 1.405 -4.132 7.244 1.00 1.00 H new ATOM 424 N LYS A 28 -0.076 -7.421 6.007 1.00 1.00 N ATOM 425 CA LYS A 28 -0.795 -8.359 6.853 1.00 1.00 C ATOM 426 C LYS A 28 -1.486 -9.405 5.975 1.00 1.00 C ATOM 427 O LYS A 28 -2.457 -10.031 6.398 1.00 1.00 O ATOM 428 CB LYS A 28 -1.750 -7.613 7.788 1.00 1.00 C ATOM 429 CG LYS A 28 -2.649 -6.656 7.004 1.00 1.00 C ATOM 430 CD LYS A 28 -3.784 -7.413 6.312 1.00 1.00 C ATOM 431 CE LYS A 28 -4.773 -7.975 7.335 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.648 -9.447 7.423 1.00 1.00 N ATOM 0 H LYS A 28 -0.495 -7.266 5.090 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.103 -8.895 7.503 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.364 -8.330 8.334 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.177 -7.055 8.529 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.065 -5.907 7.678 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.057 -6.122 6.261 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.305 -6.746 5.626 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.372 -8.226 5.715 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.587 -7.529 8.312 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.791 -7.707 7.051 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -4.829 -9.753 8.400 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -5.340 -9.893 6.787 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.687 -9.731 7.143 1.00 1.00 H new ATOM 446 N PHE A 29 -0.958 -9.561 4.770 1.00 1.00 N ATOM 447 CA PHE A 29 -1.512 -10.521 3.830 1.00 1.00 C ATOM 448 C PHE A 29 -0.475 -11.582 3.455 1.00 1.00 C ATOM 449 O PHE A 29 0.704 -11.273 3.294 1.00 1.00 O ATOM 450 CB PHE A 29 -1.903 -9.740 2.573 1.00 1.00 C ATOM 451 CG PHE A 29 -2.932 -8.635 2.822 1.00 1.00 C ATOM 452 CD1 PHE A 29 -3.969 -8.852 3.674 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.809 -7.437 2.191 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.924 -7.826 3.905 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.763 -6.412 2.422 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.801 -6.628 3.274 1.00 1.00 C ATOM 0 H PHE A 29 -0.153 -9.039 4.423 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.367 -11.029 4.276 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -1.007 -9.297 2.140 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.303 -10.436 1.835 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.067 -9.804 4.175 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -1.985 -7.265 1.514 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.748 -7.998 4.582 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.665 -5.460 1.921 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.527 -5.848 3.449 1.00 1.00 H new ATOM 466 N ASN A 30 -0.953 -12.811 3.326 1.00 1.00 N ATOM 467 CA ASN A 30 -0.083 -13.919 2.973 1.00 1.00 C ATOM 468 C ASN A 30 0.373 -13.761 1.522 1.00 1.00 C ATOM 469 O ASN A 30 1.120 -14.593 1.008 1.00 1.00 O ATOM 470 CB ASN A 30 -0.817 -15.256 3.095 1.00 1.00 C ATOM 471 CG ASN A 30 -0.666 -15.838 4.502 1.00 1.00 C ATOM 472 OD1 ASN A 30 0.410 -15.871 5.076 1.00 1.00 O ATOM 473 ND2 ASN A 30 -1.801 -16.295 5.023 1.00 1.00 N ATOM 0 H ASN A 30 -1.932 -13.064 3.460 1.00 1.00 H new ATOM 0 HA ASN A 30 0.767 -13.911 3.655 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -1.874 -15.117 2.867 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.422 -15.960 2.362 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -1.805 -16.704 5.957 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -2.668 -16.237 4.488 1.00 1.00 H new ATOM 480 N SER A 31 -0.094 -12.688 0.901 1.00 1.00 N ATOM 481 CA SER A 31 0.257 -12.410 -0.481 1.00 1.00 C ATOM 482 C SER A 31 1.287 -11.280 -0.543 1.00 1.00 C ATOM 483 O SER A 31 1.624 -10.687 0.481 1.00 1.00 O ATOM 484 CB SER A 31 -0.982 -12.044 -1.301 1.00 1.00 C ATOM 485 OG SER A 31 -1.662 -13.199 -1.785 1.00 1.00 O ATOM 0 H SER A 31 -0.713 -12.000 1.330 1.00 1.00 H new ATOM 0 HA SER A 31 0.691 -13.312 -0.911 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.662 -11.454 -0.687 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.688 -11.417 -2.143 1.00 1.00 H new ATOM 0 HG SER A 31 -1.343 -13.992 -1.305 1.00 1.00 H new ATOM 491 N ASP A 32 1.758 -11.017 -1.753 1.00 1.00 N ATOM 492 CA ASP A 32 2.742 -9.969 -1.961 1.00 1.00 C ATOM 493 C ASP A 32 2.025 -8.663 -2.307 1.00 1.00 C ATOM 494 O ASP A 32 1.682 -8.427 -3.465 1.00 1.00 O ATOM 495 CB ASP A 32 3.679 -10.316 -3.120 1.00 1.00 C ATOM 496 CG ASP A 32 5.121 -10.626 -2.716 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.295 -11.560 -1.904 1.00 1.00 O ATOM 498 OD2 ASP A 32 6.018 -9.922 -3.228 1.00 1.00 O ATOM 0 H ASP A 32 1.476 -11.512 -2.599 1.00 1.00 H new ATOM 0 HA ASP A 32 3.324 -9.866 -1.045 1.00 1.00 H new ATOM 0 HB2 ASP A 32 3.273 -11.178 -3.650 1.00 1.00 H new ATOM 0 HB3 ASP A 32 3.686 -9.483 -3.823 1.00 1.00 H new ATOM 503 N ILE A 33 1.819 -7.848 -1.283 1.00 1.00 N ATOM 504 CA ILE A 33 1.149 -6.572 -1.464 1.00 1.00 C ATOM 505 C ILE A 33 2.099 -5.441 -1.063 1.00 1.00 C ATOM 506 O ILE A 33 2.602 -5.416 0.059 1.00 1.00 O ATOM 507 CB ILE A 33 -0.182 -6.554 -0.710 1.00 1.00 C ATOM 508 CG1 ILE A 33 -1.061 -5.393 -1.177 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.045 -6.528 0.803 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.858 -4.160 -0.294 1.00 1.00 C ATOM 0 H ILE A 33 2.105 -8.047 -0.324 1.00 1.00 H new ATOM 0 HA ILE A 33 0.896 -6.420 -2.513 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.717 -7.476 -0.940 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.824 -5.146 -2.212 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.109 -5.693 -1.153 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.917 -6.516 1.315 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.604 -7.415 1.102 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.610 -5.635 1.071 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.495 -3.350 -0.649 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -1.119 -4.403 0.736 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.185 -3.848 -0.339 1.00 1.00 H new ATOM 522 N ASN A 34 2.315 -4.532 -2.003 1.00 1.00 N ATOM 523 CA ASN A 34 3.195 -3.401 -1.762 1.00 1.00 C ATOM 524 C ASN A 34 2.555 -2.133 -2.330 1.00 1.00 C ATOM 525 O ASN A 34 1.469 -2.185 -2.906 1.00 1.00 O ATOM 526 CB ASN A 34 4.546 -3.599 -2.451 1.00 1.00 C ATOM 527 CG ASN A 34 5.066 -5.022 -2.241 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.768 -5.537 -1.052 1.00 1.00 O flip ATOM 529 ND2 ASN A 34 5.696 -5.614 -3.102 1.00 1.00 N flip ATOM 0 H ASN A 34 1.896 -4.556 -2.933 1.00 1.00 H new ATOM 0 HA ASN A 34 3.348 -3.315 -0.686 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.447 -3.398 -3.518 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.267 -2.883 -2.057 1.00 1.00 H new ATOM 0 HD21 ASN A 34 5.891 -5.160 -3.994 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.028 -6.563 -2.929 1.00 1.00 H new ATOM 536 N LEU A 35 3.255 -1.023 -2.148 1.00 1.00 N ATOM 537 CA LEU A 35 2.770 0.257 -2.635 1.00 1.00 C ATOM 538 C LEU A 35 3.797 0.854 -3.598 1.00 1.00 C ATOM 539 O LEU A 35 5.002 0.742 -3.375 1.00 1.00 O ATOM 540 CB LEU A 35 2.416 1.177 -1.464 1.00 1.00 C ATOM 541 CG LEU A 35 3.374 2.344 -1.216 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.399 3.297 -2.412 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.029 3.068 0.087 1.00 1.00 C ATOM 0 H LEU A 35 4.155 -0.984 -1.670 1.00 1.00 H new ATOM 0 HA LEU A 35 1.845 0.125 -3.197 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.418 1.581 -1.634 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.366 0.575 -0.557 1.00 1.00 H new ATOM 0 HG LEU A 35 4.381 1.942 -1.105 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.088 4.117 -2.209 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.728 2.758 -3.300 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.399 3.696 -2.580 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.725 3.893 0.240 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.012 3.457 0.029 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.104 2.371 0.921 1.00 1.00 H new ATOM 555 N GLU A 36 3.284 1.477 -4.649 1.00 1.00 N ATOM 556 CA GLU A 36 4.142 2.093 -5.647 1.00 1.00 C ATOM 557 C GLU A 36 3.795 3.575 -5.804 1.00 1.00 C ATOM 558 O GLU A 36 2.732 3.916 -6.319 1.00 1.00 O ATOM 559 CB GLU A 36 4.038 1.361 -6.986 1.00 1.00 C ATOM 560 CG GLU A 36 4.883 2.054 -8.057 1.00 1.00 C ATOM 561 CD GLU A 36 4.066 3.115 -8.797 1.00 1.00 C ATOM 562 OE1 GLU A 36 4.044 4.262 -8.301 1.00 1.00 O ATOM 563 OE2 GLU A 36 3.483 2.756 -9.843 1.00 1.00 O ATOM 0 H GLU A 36 2.285 1.568 -4.831 1.00 1.00 H new ATOM 0 HA GLU A 36 5.175 2.016 -5.307 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.370 0.329 -6.867 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.996 1.326 -7.306 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.754 2.518 -7.594 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.254 1.315 -8.767 1.00 1.00 H new ATOM 570 N TYR A 37 4.713 4.416 -5.349 1.00 1.00 N ATOM 571 CA TYR A 37 4.517 5.853 -5.433 1.00 1.00 C ATOM 572 C TYR A 37 5.506 6.485 -6.415 1.00 1.00 C ATOM 573 O TYR A 37 6.712 6.487 -6.171 1.00 1.00 O ATOM 574 CB TYR A 37 4.791 6.398 -4.030 1.00 1.00 C ATOM 575 CG TYR A 37 4.906 7.922 -3.966 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.102 8.709 -4.765 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.814 8.511 -3.108 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.210 10.144 -4.705 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.922 9.946 -3.048 1.00 1.00 C ATOM 580 CZ TYR A 37 5.114 10.691 -3.849 1.00 1.00 C ATOM 581 OH TYR A 37 5.216 12.046 -3.792 1.00 1.00 O ATOM 0 H TYR A 37 5.594 4.130 -4.921 1.00 1.00 H new ATOM 0 HA TYR A 37 3.511 6.084 -5.782 1.00 1.00 H new ATOM 0 HB2 TYR A 37 3.991 6.076 -3.364 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.715 5.958 -3.655 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.391 8.249 -5.436 1.00 1.00 H new ATOM 0 HD2 TYR A 37 6.443 7.896 -2.482 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.587 10.771 -5.326 1.00 1.00 H new ATOM 0 HE2 TYR A 37 6.628 10.419 -2.382 1.00 1.00 H new ATOM 0 HH TYR A 37 5.901 12.295 -3.137 1.00 1.00 H new ATOM 591 N LYS A 38 4.960 7.005 -7.503 1.00 1.00 N ATOM 592 CA LYS A 38 5.779 7.639 -8.523 1.00 1.00 C ATOM 593 C LYS A 38 6.661 6.582 -9.191 1.00 1.00 C ATOM 594 O LYS A 38 7.667 6.914 -9.817 1.00 1.00 O ATOM 595 CB LYS A 38 6.564 8.809 -7.928 1.00 1.00 C ATOM 596 CG LYS A 38 5.746 9.529 -6.854 1.00 1.00 C ATOM 597 CD LYS A 38 5.862 11.048 -7.003 1.00 1.00 C ATOM 598 CE LYS A 38 7.234 11.541 -6.541 1.00 1.00 C ATOM 599 NZ LYS A 38 7.341 13.008 -6.709 1.00 1.00 N ATOM 0 H LYS A 38 3.960 7.001 -7.702 1.00 1.00 H new ATOM 0 HA LYS A 38 5.152 8.070 -9.303 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.496 8.444 -7.496 1.00 1.00 H new ATOM 0 HB3 LYS A 38 6.832 9.511 -8.718 1.00 1.00 H new ATOM 0 HG2 LYS A 38 4.700 9.232 -6.928 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.093 9.229 -5.865 1.00 1.00 H new ATOM 0 HD2 LYS A 38 5.703 11.328 -8.044 1.00 1.00 H new ATOM 0 HD3 LYS A 38 5.081 11.535 -6.419 1.00 1.00 H new ATOM 0 HE2 LYS A 38 7.389 11.277 -5.495 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.017 11.045 -7.114 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 8.278 13.326 -6.391 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 7.214 13.253 -7.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 6.605 13.477 -6.143 1.00 1.00 H new ATOM 613 N GLY A 39 6.253 5.331 -9.035 1.00 1.00 N ATOM 614 CA GLY A 39 6.994 4.224 -9.615 1.00 1.00 C ATOM 615 C GLY A 39 7.768 3.460 -8.540 1.00 1.00 C ATOM 616 O GLY A 39 8.385 2.434 -8.825 1.00 1.00 O ATOM 0 H GLY A 39 5.418 5.060 -8.515 1.00 1.00 H new ATOM 0 HA2 GLY A 39 6.306 3.548 -10.123 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.686 4.600 -10.369 1.00 1.00 H new ATOM 620 N LYS A 40 7.711 3.987 -7.326 1.00 1.00 N ATOM 621 CA LYS A 40 8.399 3.367 -6.207 1.00 1.00 C ATOM 622 C LYS A 40 7.492 2.307 -5.580 1.00 1.00 C ATOM 623 O LYS A 40 6.727 2.603 -4.663 1.00 1.00 O ATOM 624 CB LYS A 40 8.877 4.431 -5.216 1.00 1.00 C ATOM 625 CG LYS A 40 10.286 4.114 -4.710 1.00 1.00 C ATOM 626 CD LYS A 40 10.662 5.017 -3.533 1.00 1.00 C ATOM 627 CE LYS A 40 10.278 4.369 -2.201 1.00 1.00 C ATOM 628 NZ LYS A 40 8.960 3.704 -2.309 1.00 1.00 N ATOM 0 H LYS A 40 7.198 4.837 -7.093 1.00 1.00 H new ATOM 0 HA LYS A 40 9.299 2.855 -6.549 1.00 1.00 H new ATOM 0 HB2 LYS A 40 8.871 5.410 -5.696 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.187 4.485 -4.374 1.00 1.00 H new ATOM 0 HG2 LYS A 40 10.340 3.069 -4.403 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.005 4.246 -5.519 1.00 1.00 H new ATOM 0 HD2 LYS A 40 11.734 5.215 -3.550 1.00 1.00 H new ATOM 0 HD3 LYS A 40 10.159 5.979 -3.632 1.00 1.00 H new ATOM 0 HE2 LYS A 40 11.036 3.641 -1.912 1.00 1.00 H new ATOM 0 HE3 LYS A 40 10.247 5.126 -1.417 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 8.691 3.313 -1.383 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 8.246 4.396 -2.613 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 9.016 2.935 -3.006 1.00 1.00 H new ATOM 642 N SER A 41 7.607 1.093 -6.099 1.00 1.00 N ATOM 643 CA SER A 41 6.807 -0.013 -5.602 1.00 1.00 C ATOM 644 C SER A 41 7.615 -0.831 -4.592 1.00 1.00 C ATOM 645 O SER A 41 8.516 -1.577 -4.972 1.00 1.00 O ATOM 646 CB SER A 41 6.329 -0.906 -6.748 1.00 1.00 C ATOM 647 OG SER A 41 5.193 -1.684 -6.380 1.00 1.00 O ATOM 0 H SER A 41 8.243 0.851 -6.859 1.00 1.00 H new ATOM 0 HA SER A 41 5.927 0.397 -5.106 1.00 1.00 H new ATOM 0 HB2 SER A 41 6.081 -0.287 -7.610 1.00 1.00 H new ATOM 0 HB3 SER A 41 7.139 -1.569 -7.053 1.00 1.00 H new ATOM 0 HG SER A 41 4.917 -2.239 -7.139 1.00 1.00 H new ATOM 653 N VAL A 42 7.263 -0.663 -3.326 1.00 1.00 N ATOM 654 CA VAL A 42 7.944 -1.377 -2.259 1.00 1.00 C ATOM 655 C VAL A 42 6.944 -1.699 -1.147 1.00 1.00 C ATOM 656 O VAL A 42 5.973 -0.969 -0.949 1.00 1.00 O ATOM 657 CB VAL A 42 9.143 -0.563 -1.768 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.769 0.236 -2.912 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.745 0.356 -0.611 1.00 1.00 C ATOM 0 H VAL A 42 6.515 -0.043 -3.015 1.00 1.00 H new ATOM 0 HA VAL A 42 8.339 -2.325 -2.625 1.00 1.00 H new ATOM 0 HB VAL A 42 9.893 -1.262 -1.398 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.619 0.805 -2.536 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.107 -0.448 -3.691 1.00 1.00 H new ATOM 0 HG13 VAL A 42 9.028 0.920 -3.326 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.615 0.923 -0.281 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.968 1.044 -0.944 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.368 -0.244 0.217 1.00 1.00 H new ATOM 669 N ASN A 43 7.215 -2.793 -0.450 1.00 1.00 N ATOM 670 CA ASN A 43 6.351 -3.220 0.637 1.00 1.00 C ATOM 671 C ASN A 43 5.933 -2.001 1.461 1.00 1.00 C ATOM 672 O ASN A 43 6.603 -1.640 2.427 1.00 1.00 O ATOM 673 CB ASN A 43 7.077 -4.193 1.568 1.00 1.00 C ATOM 674 CG ASN A 43 7.994 -5.128 0.777 1.00 1.00 C ATOM 675 OD1 ASN A 43 7.655 -5.617 -0.289 1.00 1.00 O ATOM 676 ND2 ASN A 43 9.171 -5.348 1.355 1.00 1.00 N ATOM 0 H ASN A 43 8.020 -3.396 -0.617 1.00 1.00 H new ATOM 0 HA ASN A 43 5.483 -3.716 0.202 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.663 -3.635 2.298 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.348 -4.780 2.127 1.00 1.00 H new ATOM 0 HD21 ASN A 43 9.854 -5.958 0.905 1.00 1.00 H new ATOM 0 HD22 ASN A 43 9.391 -4.907 2.248 1.00 1.00 H new ATOM 683 N LEU A 44 4.826 -1.399 1.049 1.00 1.00 N ATOM 684 CA LEU A 44 4.311 -0.227 1.736 1.00 1.00 C ATOM 685 C LEU A 44 4.874 -0.188 3.158 1.00 1.00 C ATOM 686 O LEU A 44 5.217 0.880 3.664 1.00 1.00 O ATOM 687 CB LEU A 44 2.783 -0.202 1.679 1.00 1.00 C ATOM 688 CG LEU A 44 2.124 -1.304 0.848 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.393 -2.683 1.454 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.627 -1.038 0.671 1.00 1.00 C ATOM 0 H LEU A 44 4.272 -1.701 0.248 1.00 1.00 H new ATOM 0 HA LEU A 44 4.641 0.684 1.237 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.400 -0.265 2.698 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.470 0.763 1.280 1.00 1.00 H new ATOM 0 HG LEU A 44 2.572 -1.296 -0.146 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.913 -3.448 0.844 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.467 -2.864 1.484 1.00 1.00 H new ATOM 0 HD13 LEU A 44 1.990 -2.721 2.466 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.183 -1.837 0.076 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.146 -1.003 1.648 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.485 -0.085 0.162 1.00 1.00 H new ATOM 702 N LYS A 45 4.951 -1.364 3.763 1.00 1.00 N ATOM 703 CA LYS A 45 5.467 -1.477 5.117 1.00 1.00 C ATOM 704 C LYS A 45 6.992 -1.586 5.070 1.00 1.00 C ATOM 705 O LYS A 45 7.611 -2.084 6.009 1.00 1.00 O ATOM 706 CB LYS A 45 4.790 -2.635 5.853 1.00 1.00 C ATOM 707 CG LYS A 45 5.342 -2.780 7.273 1.00 1.00 C ATOM 708 CD LYS A 45 6.206 -4.036 7.400 1.00 1.00 C ATOM 709 CE LYS A 45 7.379 -3.800 8.353 1.00 1.00 C ATOM 710 NZ LYS A 45 6.990 -4.126 9.743 1.00 1.00 N ATOM 0 H LYS A 45 4.665 -2.247 3.341 1.00 1.00 H new ATOM 0 HA LYS A 45 5.229 -0.582 5.691 1.00 1.00 H new ATOM 0 HB2 LYS A 45 3.714 -2.466 5.893 1.00 1.00 H new ATOM 0 HB3 LYS A 45 4.947 -3.562 5.302 1.00 1.00 H new ATOM 0 HG2 LYS A 45 5.933 -1.900 7.529 1.00 1.00 H new ATOM 0 HG3 LYS A 45 4.518 -2.828 7.984 1.00 1.00 H new ATOM 0 HD2 LYS A 45 5.598 -4.865 7.764 1.00 1.00 H new ATOM 0 HD3 LYS A 45 6.582 -4.324 6.418 1.00 1.00 H new ATOM 0 HE2 LYS A 45 8.228 -4.414 8.053 1.00 1.00 H new ATOM 0 HE3 LYS A 45 7.700 -2.760 8.293 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 7.797 -3.960 10.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 6.194 -3.522 10.031 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 6.705 -5.125 9.799 1.00 1.00 H new ATOM 724 N SER A 46 7.554 -1.112 3.968 1.00 1.00 N ATOM 725 CA SER A 46 8.995 -1.150 3.786 1.00 1.00 C ATOM 726 C SER A 46 9.614 0.174 4.239 1.00 1.00 C ATOM 727 O SER A 46 9.501 1.185 3.548 1.00 1.00 O ATOM 728 CB SER A 46 9.359 -1.435 2.328 1.00 1.00 C ATOM 729 OG SER A 46 10.641 -0.915 1.986 1.00 1.00 O ATOM 0 H SER A 46 7.037 -0.699 3.192 1.00 1.00 H new ATOM 0 HA SER A 46 9.396 -1.959 4.396 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.346 -2.511 2.155 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.604 -0.998 1.674 1.00 1.00 H new ATOM 0 HG SER A 46 10.977 -1.372 1.187 1.00 1.00 H new ATOM 735 N ILE A 47 10.256 0.125 5.397 1.00 1.00 N ATOM 736 CA ILE A 47 10.893 1.307 5.950 1.00 1.00 C ATOM 737 C ILE A 47 11.574 2.089 4.824 1.00 1.00 C ATOM 738 O ILE A 47 10.968 2.977 4.226 1.00 1.00 O ATOM 739 CB ILE A 47 11.839 0.923 7.090 1.00 1.00 C ATOM 740 CG1 ILE A 47 11.083 0.815 8.416 1.00 1.00 C ATOM 741 CG2 ILE A 47 13.015 1.897 7.179 1.00 1.00 C ATOM 742 CD1 ILE A 47 9.665 0.284 8.198 1.00 1.00 C ATOM 0 H ILE A 47 10.348 -0.716 5.967 1.00 1.00 H new ATOM 0 HA ILE A 47 10.148 1.968 6.393 1.00 1.00 H new ATOM 0 HB ILE A 47 12.253 -0.062 6.873 1.00 1.00 H new ATOM 0 HG12 ILE A 47 11.623 0.153 9.093 1.00 1.00 H new ATOM 0 HG13 ILE A 47 11.039 1.794 8.894 1.00 1.00 H new ATOM 0 HG21 ILE A 47 13.671 1.601 7.997 1.00 1.00 H new ATOM 0 HG22 ILE A 47 13.572 1.881 6.242 1.00 1.00 H new ATOM 0 HG23 ILE A 47 12.640 2.904 7.361 1.00 1.00 H new ATOM 0 HD11 ILE A 47 9.150 0.217 9.156 1.00 1.00 H new ATOM 0 HD12 ILE A 47 9.120 0.961 7.540 1.00 1.00 H new ATOM 0 HD13 ILE A 47 9.713 -0.705 7.742 1.00 1.00 H new ATOM 754 N MET A 48 12.823 1.729 4.569 1.00 1.00 N ATOM 755 CA MET A 48 13.592 2.385 3.525 1.00 1.00 C ATOM 756 C MET A 48 12.724 2.663 2.297 1.00 1.00 C ATOM 757 O MET A 48 12.556 3.814 1.898 1.00 1.00 O ATOM 758 CB MET A 48 14.773 1.498 3.126 1.00 1.00 C ATOM 759 CG MET A 48 14.455 0.021 3.367 1.00 1.00 C ATOM 760 SD MET A 48 15.210 -0.981 2.098 1.00 1.00 S ATOM 761 CE MET A 48 14.323 -0.388 0.667 1.00 1.00 C ATOM 0 H MET A 48 13.322 0.992 5.067 1.00 1.00 H new ATOM 0 HA MET A 48 13.956 3.337 3.912 1.00 1.00 H new ATOM 0 HB2 MET A 48 15.012 1.655 2.074 1.00 1.00 H new ATOM 0 HB3 MET A 48 15.656 1.782 3.699 1.00 1.00 H new ATOM 0 HG2 MET A 48 14.821 -0.283 4.348 1.00 1.00 H new ATOM 0 HG3 MET A 48 13.376 -0.132 3.368 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.734 -0.848 -0.232 1.00 1.00 H new ATOM 0 HE2 MET A 48 13.269 -0.649 0.759 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.424 0.695 0.599 1.00 1.00 H new ATOM 771 N GLY A 49 12.195 1.588 1.731 1.00 1.00 N ATOM 772 CA GLY A 49 11.348 1.701 0.555 1.00 1.00 C ATOM 773 C GLY A 49 10.274 2.773 0.754 1.00 1.00 C ATOM 774 O GLY A 49 9.742 3.312 -0.215 1.00 1.00 O ATOM 0 H GLY A 49 12.336 0.635 2.065 1.00 1.00 H new ATOM 0 HA2 GLY A 49 11.957 1.949 -0.314 1.00 1.00 H new ATOM 0 HA3 GLY A 49 10.875 0.741 0.349 1.00 1.00 H new ATOM 778 N VAL A 50 9.988 3.051 2.018 1.00 1.00 N ATOM 779 CA VAL A 50 8.988 4.049 2.356 1.00 1.00 C ATOM 780 C VAL A 50 9.685 5.365 2.710 1.00 1.00 C ATOM 781 O VAL A 50 9.231 6.438 2.315 1.00 1.00 O ATOM 782 CB VAL A 50 8.089 3.529 3.480 1.00 1.00 C ATOM 783 CG1 VAL A 50 7.578 4.678 4.351 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.926 2.710 2.916 1.00 1.00 C ATOM 0 H VAL A 50 10.431 2.602 2.820 1.00 1.00 H new ATOM 0 HA VAL A 50 8.340 4.244 1.502 1.00 1.00 H new ATOM 0 HB VAL A 50 8.688 2.872 4.111 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.942 4.280 5.142 1.00 1.00 H new ATOM 0 HG12 VAL A 50 8.424 5.202 4.795 1.00 1.00 H new ATOM 0 HG13 VAL A 50 7.003 5.372 3.738 1.00 1.00 H new ATOM 0 HG21 VAL A 50 6.302 2.352 3.735 1.00 1.00 H new ATOM 0 HG22 VAL A 50 6.329 3.335 2.252 1.00 1.00 H new ATOM 0 HG23 VAL A 50 7.317 1.859 2.359 1.00 1.00 H new ATOM 794 N MET A 51 10.777 5.239 3.449 1.00 1.00 N ATOM 795 CA MET A 51 11.541 6.404 3.860 1.00 1.00 C ATOM 796 C MET A 51 11.635 7.426 2.725 1.00 1.00 C ATOM 797 O MET A 51 11.470 8.624 2.949 1.00 1.00 O ATOM 798 CB MET A 51 12.949 5.971 4.275 1.00 1.00 C ATOM 799 CG MET A 51 12.933 5.300 5.650 1.00 1.00 C ATOM 800 SD MET A 51 13.624 6.401 6.874 1.00 1.00 S ATOM 801 CE MET A 51 13.168 7.975 6.167 1.00 1.00 C ATOM 0 H MET A 51 11.151 4.347 3.774 1.00 1.00 H new ATOM 0 HA MET A 51 11.031 6.871 4.703 1.00 1.00 H new ATOM 0 HB2 MET A 51 13.354 5.281 3.535 1.00 1.00 H new ATOM 0 HB3 MET A 51 13.608 6.839 4.297 1.00 1.00 H new ATOM 0 HG2 MET A 51 11.912 5.035 5.923 1.00 1.00 H new ATOM 0 HG3 MET A 51 13.505 4.373 5.618 1.00 1.00 H new ATOM 0 HE1 MET A 51 13.212 8.746 6.936 1.00 1.00 H new ATOM 0 HE2 MET A 51 13.858 8.226 5.362 1.00 1.00 H new ATOM 0 HE3 MET A 51 12.154 7.916 5.771 1.00 1.00 H new ATOM 811 N SER A 52 11.900 6.915 1.532 1.00 1.00 N ATOM 812 CA SER A 52 12.017 7.769 0.361 1.00 1.00 C ATOM 813 C SER A 52 10.643 7.967 -0.281 1.00 1.00 C ATOM 814 O SER A 52 10.434 8.925 -1.025 1.00 1.00 O ATOM 815 CB SER A 52 12.998 7.179 -0.654 1.00 1.00 C ATOM 816 OG SER A 52 12.474 7.205 -1.979 1.00 1.00 O ATOM 0 H SER A 52 12.037 5.921 1.350 1.00 1.00 H new ATOM 0 HA SER A 52 12.404 8.737 0.680 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.933 7.739 -0.623 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.232 6.151 -0.377 1.00 1.00 H new ATOM 0 HG SER A 52 13.130 6.822 -2.598 1.00 1.00 H new ATOM 822 N LEU A 53 9.741 7.048 0.029 1.00 1.00 N ATOM 823 CA LEU A 53 8.393 7.110 -0.509 1.00 1.00 C ATOM 824 C LEU A 53 7.609 8.205 0.217 1.00 1.00 C ATOM 825 O LEU A 53 7.865 9.392 0.020 1.00 1.00 O ATOM 826 CB LEU A 53 7.728 5.734 -0.448 1.00 1.00 C ATOM 827 CG LEU A 53 6.514 5.534 -1.359 1.00 1.00 C ATOM 828 CD1 LEU A 53 6.185 4.048 -1.515 1.00 1.00 C ATOM 829 CD2 LEU A 53 5.314 6.338 -0.856 1.00 1.00 C ATOM 0 H LEU A 53 9.917 6.256 0.647 1.00 1.00 H new ATOM 0 HA LEU A 53 8.416 7.380 -1.565 1.00 1.00 H new ATOM 0 HB2 LEU A 53 8.474 4.980 -0.700 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.420 5.547 0.581 1.00 1.00 H new ATOM 0 HG LEU A 53 6.763 5.914 -2.350 1.00 1.00 H new ATOM 0 HD11 LEU A 53 5.319 3.934 -2.167 1.00 1.00 H new ATOM 0 HD12 LEU A 53 7.039 3.530 -1.952 1.00 1.00 H new ATOM 0 HD13 LEU A 53 5.963 3.620 -0.538 1.00 1.00 H new ATOM 0 HD21 LEU A 53 4.465 6.179 -1.521 1.00 1.00 H new ATOM 0 HD22 LEU A 53 5.053 6.011 0.151 1.00 1.00 H new ATOM 0 HD23 LEU A 53 5.568 7.398 -0.839 1.00 1.00 H new ATOM 841 N GLY A 54 6.669 7.767 1.041 1.00 1.00 N ATOM 842 CA GLY A 54 5.845 8.695 1.798 1.00 1.00 C ATOM 843 C GLY A 54 5.030 9.591 0.864 1.00 1.00 C ATOM 844 O GLY A 54 5.593 10.358 0.084 1.00 1.00 O ATOM 0 H GLY A 54 6.459 6.782 1.201 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.173 8.140 2.453 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.478 9.310 2.438 1.00 1.00 H new ATOM 848 N VAL A 55 3.715 9.464 0.973 1.00 1.00 N ATOM 849 CA VAL A 55 2.816 10.253 0.148 1.00 1.00 C ATOM 850 C VAL A 55 1.904 11.087 1.049 1.00 1.00 C ATOM 851 O VAL A 55 2.090 11.123 2.264 1.00 1.00 O ATOM 852 CB VAL A 55 2.043 9.339 -0.805 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.549 9.488 -2.241 1.00 1.00 C ATOM 854 CG2 VAL A 55 2.116 7.881 -0.346 1.00 1.00 C ATOM 0 H VAL A 55 3.251 8.827 1.620 1.00 1.00 H new ATOM 0 HA VAL A 55 3.379 10.947 -0.475 1.00 1.00 H new ATOM 0 HB VAL A 55 0.997 9.644 -0.786 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.982 8.827 -2.897 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.420 10.520 -2.567 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.605 9.223 -2.284 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.559 7.253 -1.041 1.00 1.00 H new ATOM 0 HG22 VAL A 55 3.157 7.559 -0.321 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.684 7.791 0.651 1.00 1.00 H new ATOM 864 N GLY A 56 0.937 11.738 0.418 1.00 1.00 N ATOM 865 CA GLY A 56 -0.005 12.569 1.148 1.00 1.00 C ATOM 866 C GLY A 56 -0.704 13.557 0.212 1.00 1.00 C ATOM 867 O GLY A 56 -1.725 13.229 -0.392 1.00 1.00 O ATOM 0 H GLY A 56 0.786 11.707 -0.590 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.748 11.939 1.638 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.518 13.114 1.933 1.00 1.00 H new ATOM 871 N GLN A 57 -0.127 14.746 0.120 1.00 1.00 N ATOM 872 CA GLN A 57 -0.683 15.783 -0.733 1.00 1.00 C ATOM 873 C GLN A 57 -1.247 15.170 -2.016 1.00 1.00 C ATOM 874 O GLN A 57 -0.567 15.129 -3.040 1.00 1.00 O ATOM 875 CB GLN A 57 0.366 16.851 -1.050 1.00 1.00 C ATOM 876 CG GLN A 57 0.104 18.131 -0.253 1.00 1.00 C ATOM 877 CD GLN A 57 1.268 19.114 -0.397 1.00 1.00 C ATOM 878 OE1 GLN A 57 2.136 18.969 -1.242 1.00 1.00 O ATOM 879 NE2 GLN A 57 1.236 20.121 0.471 1.00 1.00 N ATOM 0 H GLN A 57 0.720 15.014 0.622 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.499 16.269 -0.198 1.00 1.00 H new ATOM 0 HB2 GLN A 57 1.360 16.470 -0.816 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.353 17.074 -2.117 1.00 1.00 H new ATOM 0 HG2 GLN A 57 -0.817 18.599 -0.601 1.00 1.00 H new ATOM 0 HG3 GLN A 57 -0.041 17.885 0.799 1.00 1.00 H new ATOM 0 HE21 GLN A 57 0.480 20.183 1.153 1.00 1.00 H new ATOM 0 HE22 GLN A 57 1.967 20.832 0.455 1.00 1.00 H new ATOM 888 N GLY A 58 -2.486 14.710 -1.919 1.00 1.00 N ATOM 889 CA GLY A 58 -3.149 14.101 -3.059 1.00 1.00 C ATOM 890 C GLY A 58 -2.181 13.220 -3.851 1.00 1.00 C ATOM 891 O GLY A 58 -2.460 12.852 -4.991 1.00 1.00 O ATOM 0 H GLY A 58 -3.048 14.747 -1.068 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -3.993 13.503 -2.716 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.552 14.879 -3.708 1.00 1.00 H new ATOM 895 N SER A 59 -1.061 12.906 -3.214 1.00 1.00 N ATOM 896 CA SER A 59 -0.050 12.075 -3.845 1.00 1.00 C ATOM 897 C SER A 59 -0.673 10.758 -4.314 1.00 1.00 C ATOM 898 O SER A 59 -1.406 10.113 -3.567 1.00 1.00 O ATOM 899 CB SER A 59 1.112 11.801 -2.889 1.00 1.00 C ATOM 900 OG SER A 59 1.570 12.990 -2.250 1.00 1.00 O ATOM 0 H SER A 59 -0.832 13.212 -2.268 1.00 1.00 H new ATOM 0 HA SER A 59 0.344 12.611 -4.708 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.797 11.081 -2.133 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.935 11.346 -3.440 1.00 1.00 H new ATOM 0 HG SER A 59 2.311 12.773 -1.647 1.00 1.00 H new ATOM 906 N ASP A 60 -0.358 10.399 -5.550 1.00 1.00 N ATOM 907 CA ASP A 60 -0.877 9.172 -6.128 1.00 1.00 C ATOM 908 C ASP A 60 0.176 8.068 -6.003 1.00 1.00 C ATOM 909 O ASP A 60 1.373 8.336 -6.090 1.00 1.00 O ATOM 910 CB ASP A 60 -1.196 9.354 -7.614 1.00 1.00 C ATOM 911 CG ASP A 60 0.024 9.525 -8.521 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.487 10.681 -8.637 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.467 8.497 -9.077 1.00 1.00 O ATOM 0 H ASP A 60 0.250 10.937 -6.167 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.789 8.908 -5.593 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.766 8.490 -7.956 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.840 10.226 -7.728 1.00 1.00 H new ATOM 918 N VAL A 61 -0.309 6.852 -5.800 1.00 1.00 N ATOM 919 CA VAL A 61 0.575 5.708 -5.661 1.00 1.00 C ATOM 920 C VAL A 61 -0.094 4.474 -6.270 1.00 1.00 C ATOM 921 O VAL A 61 -1.261 4.525 -6.658 1.00 1.00 O ATOM 922 CB VAL A 61 0.957 5.516 -4.192 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.762 6.711 -3.675 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.283 5.276 -3.330 1.00 1.00 C ATOM 0 H VAL A 61 -1.303 6.634 -5.728 1.00 1.00 H new ATOM 0 HA VAL A 61 1.504 5.876 -6.205 1.00 1.00 H new ATOM 0 HB VAL A 61 1.589 4.631 -4.123 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.021 6.550 -2.629 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.674 6.817 -4.263 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.165 7.618 -3.765 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.017 5.143 -2.291 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.952 6.133 -3.408 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.799 4.381 -3.676 1.00 1.00 H new ATOM 934 N THR A 62 0.672 3.395 -6.335 1.00 1.00 N ATOM 935 CA THR A 62 0.167 2.151 -6.890 1.00 1.00 C ATOM 936 C THR A 62 0.439 0.990 -5.931 1.00 1.00 C ATOM 937 O THR A 62 1.563 0.817 -5.464 1.00 1.00 O ATOM 938 CB THR A 62 0.798 1.959 -8.271 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.158 2.514 -9.170 1.00 1.00 O ATOM 940 CG2 THR A 62 0.881 0.486 -8.677 1.00 1.00 C ATOM 0 H THR A 62 1.639 3.357 -6.012 1.00 1.00 H new ATOM 0 HA THR A 62 -0.916 2.183 -7.013 1.00 1.00 H new ATOM 0 HB THR A 62 1.797 2.394 -8.277 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.289 3.139 -9.778 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.336 0.406 -9.664 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.488 -0.057 -7.953 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.122 0.059 -8.704 1.00 1.00 H new ATOM 948 N ILE A 63 -0.610 0.226 -5.667 1.00 1.00 N ATOM 949 CA ILE A 63 -0.499 -0.914 -4.772 1.00 1.00 C ATOM 950 C ILE A 63 -0.431 -2.200 -5.597 1.00 1.00 C ATOM 951 O ILE A 63 -0.862 -2.226 -6.749 1.00 1.00 O ATOM 952 CB ILE A 63 -1.633 -0.901 -3.745 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.081 -0.886 -2.318 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.595 -2.069 -3.975 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.242 0.496 -1.682 1.00 1.00 C ATOM 0 H ILE A 63 -1.541 0.373 -6.057 1.00 1.00 H new ATOM 0 HA ILE A 63 0.424 -0.857 -4.194 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.204 0.018 -3.879 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.601 -1.630 -1.715 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.027 -1.165 -2.329 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.391 -2.036 -3.232 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.027 -1.994 -4.973 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.053 -3.010 -3.884 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.842 0.479 -0.668 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.700 1.234 -2.274 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.299 0.761 -1.650 1.00 1.00 H new ATOM 967 N THR A 64 0.112 -3.236 -4.976 1.00 1.00 N ATOM 968 CA THR A 64 0.242 -4.523 -5.638 1.00 1.00 C ATOM 969 C THR A 64 -0.067 -5.659 -4.662 1.00 1.00 C ATOM 970 O THR A 64 0.237 -5.561 -3.474 1.00 1.00 O ATOM 971 CB THR A 64 1.645 -4.604 -6.242 1.00 1.00 C ATOM 972 OG1 THR A 64 1.915 -3.273 -6.673 1.00 1.00 O ATOM 973 CG2 THR A 64 1.681 -5.428 -7.531 1.00 1.00 C ATOM 0 H THR A 64 0.468 -3.211 -4.020 1.00 1.00 H new ATOM 0 HA THR A 64 -0.482 -4.627 -6.446 1.00 1.00 H new ATOM 0 HB THR A 64 2.329 -5.040 -5.514 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.807 -3.234 -7.076 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.700 -5.454 -7.918 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.346 -6.444 -7.323 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.023 -4.974 -8.272 1.00 1.00 H new ATOM 981 N VAL A 65 -0.666 -6.712 -5.199 1.00 1.00 N ATOM 982 CA VAL A 65 -1.018 -7.866 -4.389 1.00 1.00 C ATOM 983 C VAL A 65 -0.799 -9.142 -5.205 1.00 1.00 C ATOM 984 O VAL A 65 -1.366 -9.297 -6.285 1.00 1.00 O ATOM 985 CB VAL A 65 -2.452 -7.725 -3.873 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.463 -8.150 -4.940 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.651 -8.521 -2.582 1.00 1.00 C ATOM 0 H VAL A 65 -0.916 -6.790 -6.185 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.375 -7.927 -3.511 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.625 -6.673 -3.648 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.474 -8.040 -4.548 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.346 -7.522 -5.823 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.290 -9.192 -5.211 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.678 -8.404 -2.237 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.450 -9.576 -2.770 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.967 -8.152 -1.818 1.00 1.00 H new ATOM 997 N ASP A 66 0.025 -10.023 -4.656 1.00 1.00 N ATOM 998 CA ASP A 66 0.326 -11.280 -5.319 1.00 1.00 C ATOM 999 C ASP A 66 0.324 -12.409 -4.287 1.00 1.00 C ATOM 1000 O ASP A 66 0.929 -12.283 -3.223 1.00 1.00 O ATOM 1001 CB ASP A 66 1.708 -11.240 -5.974 1.00 1.00 C ATOM 1002 CG ASP A 66 2.292 -9.839 -6.168 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.483 -8.915 -6.403 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.533 -9.724 -6.076 1.00 1.00 O ATOM 0 H ASP A 66 0.493 -9.891 -3.760 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.431 -11.447 -6.085 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.399 -11.824 -5.366 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.647 -11.730 -6.946 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.362 -13.487 -4.637 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.451 -14.637 -3.754 1.00 1.00 C ATOM 1011 C GLY A 67 -1.905 -15.077 -3.571 1.00 1.00 C ATOM 1012 O GLY A 67 -2.722 -14.925 -4.477 1.00 1.00 O ATOM 0 H GLY A 67 -0.862 -13.588 -5.521 1.00 1.00 H new ATOM 0 HA2 GLY A 67 0.133 -15.461 -4.164 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -0.017 -14.390 -2.785 1.00 1.00 H new ATOM 1016 N ALA A 68 -2.182 -15.614 -2.392 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.523 -16.077 -2.078 1.00 1.00 C ATOM 1018 C ALA A 68 -4.369 -14.893 -1.603 1.00 1.00 C ATOM 1019 O ALA A 68 -5.479 -14.685 -2.089 1.00 1.00 O ATOM 1020 CB ALA A 68 -3.447 -17.194 -1.034 1.00 1.00 C ATOM 0 H ALA A 68 -1.501 -15.739 -1.643 1.00 1.00 H new ATOM 0 HA ALA A 68 -4.003 -16.491 -2.965 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -4.453 -17.541 -0.799 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.861 -18.023 -1.430 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.973 -16.814 -0.129 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.811 -14.149 -0.660 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.500 -12.992 -0.114 1.00 1.00 C ATOM 1028 C ASP A 69 -4.840 -12.025 -1.250 1.00 1.00 C ATOM 1029 O ASP A 69 -5.855 -11.331 -1.196 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.617 -12.249 0.891 1.00 1.00 C ATOM 1031 CG ASP A 69 -3.929 -12.536 2.361 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -4.777 -11.803 2.915 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -3.312 -13.481 2.897 1.00 1.00 O ATOM 0 H ASP A 69 -2.889 -14.325 -0.260 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.402 -13.342 0.388 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.576 -12.508 0.699 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.716 -11.178 0.716 1.00 1.00 H new ATOM 1038 N GLU A 70 -3.973 -12.009 -2.252 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.170 -11.139 -3.398 1.00 1.00 C ATOM 1040 C GLU A 70 -5.515 -10.418 -3.293 1.00 1.00 C ATOM 1041 O GLU A 70 -5.559 -9.205 -3.088 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.070 -11.925 -4.707 1.00 1.00 C ATOM 1043 CG GLU A 70 -4.886 -13.217 -4.634 1.00 1.00 C ATOM 1044 CD GLU A 70 -6.157 -13.112 -5.479 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -6.092 -12.420 -6.518 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -7.164 -13.726 -5.068 1.00 1.00 O ATOM 0 H GLU A 70 -3.132 -12.585 -2.293 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.378 -10.390 -3.401 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -4.428 -11.310 -5.533 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -3.026 -12.161 -4.915 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.281 -14.054 -4.983 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -5.151 -13.426 -3.597 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.579 -11.194 -3.437 1.00 1.00 N ATOM 1054 CA ALA A 71 -7.922 -10.644 -3.361 1.00 1.00 C ATOM 1055 C ALA A 71 -8.102 -9.935 -2.017 1.00 1.00 C ATOM 1056 O ALA A 71 -8.149 -8.707 -1.961 1.00 1.00 O ATOM 1057 CB ALA A 71 -8.944 -11.763 -3.572 1.00 1.00 C ATOM 0 H ALA A 71 -6.539 -12.199 -3.606 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.080 -9.906 -4.147 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -9.952 -11.351 -3.515 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.792 -12.215 -4.552 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.818 -12.521 -2.799 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.199 -10.739 -0.968 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.373 -10.203 0.371 1.00 1.00 C ATOM 1065 C GLU A 72 -7.326 -9.124 0.652 1.00 1.00 C ATOM 1066 O GLU A 72 -7.658 -8.042 1.134 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.309 -11.316 1.419 1.00 1.00 C ATOM 1068 CG GLU A 72 -7.434 -10.903 2.604 1.00 1.00 C ATOM 1069 CD GLU A 72 -8.090 -9.775 3.404 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -9.203 -10.018 3.919 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -7.464 -8.696 3.481 1.00 1.00 O ATOM 0 H GLU A 72 -8.160 -11.757 -1.019 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.361 -9.747 0.433 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -9.315 -11.549 1.769 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -7.910 -12.224 0.967 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -7.265 -11.763 3.252 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -6.458 -10.578 2.244 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.082 -9.456 0.339 1.00 1.00 N ATOM 1079 CA GLY A 73 -4.984 -8.529 0.552 1.00 1.00 C ATOM 1080 C GLY A 73 -5.326 -7.140 0.009 1.00 1.00 C ATOM 1081 O GLY A 73 -5.682 -6.242 0.770 1.00 1.00 O ATOM 0 H GLY A 73 -5.810 -10.354 -0.061 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.761 -8.462 1.617 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.086 -8.904 0.061 1.00 1.00 H new ATOM 1085 N MET A 74 -5.206 -7.007 -1.304 1.00 1.00 N ATOM 1086 CA MET A 74 -5.498 -5.743 -1.958 1.00 1.00 C ATOM 1087 C MET A 74 -6.911 -5.264 -1.619 1.00 1.00 C ATOM 1088 O MET A 74 -7.153 -4.063 -1.506 1.00 1.00 O ATOM 1089 CB MET A 74 -5.365 -5.909 -3.473 1.00 1.00 C ATOM 1090 CG MET A 74 -6.266 -7.036 -3.983 1.00 1.00 C ATOM 1091 SD MET A 74 -7.534 -6.370 -5.048 1.00 1.00 S ATOM 1092 CE MET A 74 -8.967 -7.194 -4.376 1.00 1.00 C ATOM 0 H MET A 74 -4.910 -7.754 -1.932 1.00 1.00 H new ATOM 0 HA MET A 74 -4.787 -4.998 -1.601 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.629 -4.975 -3.969 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.328 -6.124 -3.729 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.671 -7.770 -4.527 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.723 -7.556 -3.141 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.404 -7.842 -5.136 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.672 -7.793 -3.515 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.702 -6.451 -4.066 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.808 -6.228 -1.467 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.190 -5.919 -1.143 1.00 1.00 C ATOM 1104 C ALA A 75 -9.227 -4.889 -0.013 1.00 1.00 C ATOM 1105 O ALA A 75 -9.855 -3.839 -0.145 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.930 -7.209 -0.781 1.00 1.00 C ATOM 0 H ALA A 75 -7.604 -7.223 -1.562 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.697 -5.482 -2.003 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -10.967 -6.978 -0.538 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.900 -7.895 -1.627 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.450 -7.674 0.080 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.548 -5.226 1.074 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.495 -4.343 2.227 1.00 1.00 C ATOM 1114 C ALA A 76 -7.850 -3.017 1.819 1.00 1.00 C ATOM 1115 O ALA A 76 -8.448 -1.954 1.985 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.740 -5.033 3.365 1.00 1.00 C ATOM 0 H ALA A 76 -8.030 -6.098 1.181 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.500 -4.124 2.589 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.700 -4.370 4.230 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.255 -5.954 3.637 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.726 -5.266 3.040 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.638 -3.122 1.294 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.905 -1.944 0.862 1.00 1.00 C ATOM 1124 C ILE A 77 -6.823 -1.059 0.017 1.00 1.00 C ATOM 1125 O ILE A 77 -7.098 0.083 0.381 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.614 -2.349 0.148 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.423 -2.317 1.109 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.375 -1.480 -1.089 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.341 -0.974 1.836 1.00 1.00 C ATOM 0 H ILE A 77 -6.145 -4.005 1.158 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.594 -1.352 1.723 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.723 -3.377 -0.197 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.517 -3.123 1.837 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.500 -2.492 0.556 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.451 -1.789 -1.578 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.208 -1.596 -1.782 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.295 -0.435 -0.790 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.486 -0.978 2.512 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.223 -0.172 1.107 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.255 -0.813 2.407 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.272 -1.620 -1.097 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.154 -0.896 -1.997 1.00 1.00 C ATOM 1143 C VAL A 78 -9.246 -0.199 -1.183 1.00 1.00 C ATOM 1144 O VAL A 78 -9.360 1.025 -1.211 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.713 -1.846 -3.057 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.351 -1.067 -4.209 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.628 -2.794 -3.571 1.00 1.00 C ATOM 0 H VAL A 78 -7.041 -2.567 -1.396 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.603 -0.122 -2.531 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.491 -2.450 -2.589 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.741 -1.766 -4.949 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.166 -0.453 -3.826 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.602 -0.426 -4.674 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -8.052 -3.459 -4.324 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.818 -2.214 -4.014 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.239 -3.386 -2.742 1.00 1.00 H new ATOM 1157 N GLU A 79 -10.021 -1.009 -0.476 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.100 -0.486 0.344 1.00 1.00 C ATOM 1159 C GLU A 79 -10.567 0.577 1.308 1.00 1.00 C ATOM 1160 O GLU A 79 -11.122 1.670 1.401 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.806 -1.610 1.104 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.164 -1.929 0.475 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.304 -1.613 1.445 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.238 -0.531 2.066 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -15.217 -2.462 1.542 1.00 1.00 O ATOM 0 H GLU A 79 -9.923 -2.024 -0.454 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.834 -0.019 -0.312 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.181 -2.503 1.102 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.943 -1.319 2.146 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.290 -1.351 -0.441 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.201 -2.982 0.195 1.00 1.00 H new ATOM 1172 N THR A 80 -9.495 0.218 2.000 1.00 1.00 N ATOM 1173 CA THR A 80 -8.881 1.127 2.953 1.00 1.00 C ATOM 1174 C THR A 80 -8.442 2.415 2.254 1.00 1.00 C ATOM 1175 O THR A 80 -8.718 3.513 2.736 1.00 1.00 O ATOM 1176 CB THR A 80 -7.732 0.386 3.639 1.00 1.00 C ATOM 1177 OG1 THR A 80 -8.029 0.496 5.029 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.393 1.111 3.486 1.00 1.00 C ATOM 0 H THR A 80 -9.036 -0.690 1.920 1.00 1.00 H new ATOM 0 HA THR A 80 -9.591 1.436 3.720 1.00 1.00 H new ATOM 0 HB THR A 80 -7.650 -0.619 3.225 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.334 0.041 5.549 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.612 0.543 3.991 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.148 1.203 2.428 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.464 2.104 3.930 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.766 2.239 1.128 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.286 3.374 0.358 1.00 1.00 C ATOM 1188 C LEU A 81 -8.392 4.427 0.266 1.00 1.00 C ATOM 1189 O LEU A 81 -8.146 5.612 0.485 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.760 2.914 -1.003 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.347 2.326 -1.012 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.347 3.310 -1.622 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.930 1.880 0.390 1.00 1.00 C ATOM 0 H LEU A 81 -7.539 1.327 0.730 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.439 3.844 0.859 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.446 2.166 -1.402 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.783 3.764 -1.685 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.351 1.438 -1.644 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.351 2.867 -1.616 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.638 3.535 -2.648 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.339 4.230 -1.037 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.922 1.466 0.355 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.948 2.736 1.064 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.622 1.119 0.751 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.587 3.956 -0.058 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.732 4.842 -0.182 1.00 1.00 C ATOM 1207 C GLN A 82 -11.538 4.853 1.119 1.00 1.00 C ATOM 1208 O GLN A 82 -12.384 5.722 1.322 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.611 4.440 -1.368 1.00 1.00 C ATOM 1210 CG GLN A 82 -10.891 3.435 -2.268 1.00 1.00 C ATOM 1211 CD GLN A 82 -11.520 2.045 -2.152 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -12.374 1.790 -1.319 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -11.052 1.164 -3.032 1.00 1.00 N ATOM 0 H GLN A 82 -9.787 2.972 -0.238 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.367 5.852 -0.369 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.542 4.006 -1.004 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -11.876 5.326 -1.945 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.935 3.772 -3.304 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -9.837 3.385 -1.993 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -10.336 1.444 -3.703 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -11.409 0.208 -3.036 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.246 3.877 1.966 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.933 3.764 3.242 1.00 1.00 C ATOM 1224 C LYS A 83 -11.293 4.722 4.248 1.00 1.00 C ATOM 1225 O LYS A 83 -11.989 5.341 5.051 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.958 2.307 3.709 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.437 2.182 5.142 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.554 0.742 5.645 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.536 -0.249 4.479 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.804 -1.622 4.962 1.00 1.00 N ATOM 0 H LYS A 83 -10.544 3.158 1.794 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.977 4.060 3.140 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.976 1.921 3.653 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.349 1.697 3.042 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.396 2.502 5.183 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -12.001 2.847 5.797 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.732 0.523 6.326 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.477 0.625 6.212 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.285 0.036 3.740 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.567 -0.215 3.980 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.788 -2.282 4.158 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -11.074 -1.897 5.650 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.738 -1.654 5.418 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.973 4.814 4.172 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.231 5.686 5.066 1.00 1.00 C ATOM 1246 C GLU A 84 -8.951 7.028 4.387 1.00 1.00 C ATOM 1247 O GLU A 84 -8.117 7.802 4.854 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.931 5.022 5.525 1.00 1.00 C ATOM 1249 CG GLU A 84 -8.106 3.509 5.661 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.897 3.159 6.924 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.304 4.114 7.621 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -9.076 1.946 7.164 1.00 1.00 O ATOM 0 H GLU A 84 -9.399 4.299 3.505 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.840 5.869 5.952 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.137 5.237 4.810 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.621 5.443 6.481 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.623 3.119 4.784 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -7.128 3.028 5.695 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.665 7.264 3.296 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.505 8.499 2.549 1.00 1.00 C ATOM 1261 C GLY A 85 -8.032 8.755 2.222 1.00 1.00 C ATOM 1262 O GLY A 85 -7.648 9.880 1.910 1.00 1.00 O ATOM 0 H GLY A 85 -10.356 6.620 2.912 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.082 8.447 1.626 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.903 9.333 3.128 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.247 7.690 2.305 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.825 7.785 2.022 1.00 1.00 C ATOM 1268 C LEU A 86 -5.607 7.743 0.509 1.00 1.00 C ATOM 1269 O LEU A 86 -4.617 8.272 0.006 1.00 1.00 O ATOM 1270 CB LEU A 86 -5.054 6.706 2.785 1.00 1.00 C ATOM 1271 CG LEU A 86 -4.275 7.179 4.013 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.653 5.996 4.758 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -3.229 8.228 3.628 1.00 1.00 C ATOM 0 H LEU A 86 -7.569 6.758 2.564 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.429 8.737 2.375 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.760 5.938 3.101 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.355 6.232 2.096 1.00 1.00 H new ATOM 0 HG LEU A 86 -4.975 7.658 4.698 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -3.105 6.361 5.627 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.441 5.317 5.085 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -2.970 5.466 4.094 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -2.689 8.548 4.519 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.527 7.797 2.914 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.725 9.087 3.176 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.548 7.110 -0.176 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.471 6.992 -1.622 1.00 1.00 C ATOM 1287 C ALA A 87 -7.886 6.923 -2.200 1.00 1.00 C ATOM 1288 O ALA A 87 -8.860 6.817 -1.456 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.630 5.768 -1.991 1.00 1.00 C ATOM 0 H ALA A 87 -7.368 6.673 0.244 1.00 1.00 H new ATOM 0 HA ALA A 87 -5.981 7.865 -2.052 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.572 5.680 -3.076 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.626 5.880 -1.582 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -6.092 4.871 -1.578 1.00 1.00 H new ATOM 1295 N GLU A 88 -7.955 6.986 -3.521 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.235 6.931 -4.207 1.00 1.00 C ATOM 1297 C GLU A 88 -9.442 5.552 -4.837 1.00 1.00 C ATOM 1298 O GLU A 88 -8.638 4.644 -4.629 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.339 8.036 -5.261 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.030 8.177 -6.039 1.00 1.00 C ATOM 1301 CD GLU A 88 -8.292 8.628 -7.478 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -9.378 8.282 -7.991 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -7.402 9.308 -8.031 1.00 1.00 O ATOM 0 H GLU A 88 -7.145 7.075 -4.135 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.025 7.096 -3.474 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -10.153 7.811 -5.950 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -9.583 8.982 -4.778 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -7.383 8.898 -5.540 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.501 7.224 -6.044 1.00 1.00 H new ATOM 1310 N GLN A 89 -10.523 5.438 -5.593 1.00 1.00 N ATOM 1311 CA GLN A 89 -10.846 4.185 -6.254 1.00 1.00 C ATOM 1312 C GLN A 89 -9.584 3.560 -6.852 1.00 1.00 C ATOM 1313 O GLN A 89 -8.584 4.247 -7.058 1.00 1.00 O ATOM 1314 CB GLN A 89 -11.917 4.391 -7.327 1.00 1.00 C ATOM 1315 CG GLN A 89 -13.321 4.259 -6.734 1.00 1.00 C ATOM 1316 CD GLN A 89 -14.362 4.923 -7.636 1.00 1.00 C ATOM 1317 OE1 GLN A 89 -14.677 4.450 -8.716 1.00 1.00 O ATOM 1318 NE2 GLN A 89 -14.878 6.042 -7.135 1.00 1.00 N ATOM 0 H GLN A 89 -11.187 6.193 -5.763 1.00 1.00 H new ATOM 0 HA GLN A 89 -11.251 3.498 -5.511 1.00 1.00 H new ATOM 0 HB2 GLN A 89 -11.800 5.377 -7.778 1.00 1.00 H new ATOM 0 HB3 GLN A 89 -11.785 3.659 -8.123 1.00 1.00 H new ATOM 0 HG2 GLN A 89 -13.567 3.205 -6.604 1.00 1.00 H new ATOM 0 HG3 GLN A 89 -13.346 4.717 -5.745 1.00 1.00 H new ATOM 0 HE21 GLN A 89 -14.570 6.383 -6.224 1.00 1.00 H new ATOM 0 HE22 GLN A 89 -15.582 6.559 -7.661 1.00 1.00 H new TER 1327 GLN A 89