USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 66 MET CE :methyl 161:sc= -0.725 (180deg=-1.75) USER MOD Set 1.2: A 85 MET CE :methyl 157:sc= -3.15! (180deg=-3.97!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 90:sc= -1.17 USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= -0.0122 (180deg=-0.616) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 89:sc= 0.0279 USER MOD Single : A 23 ASN : amide:sc=-0.000587 X(o=-0.00059,f=0) USER MOD Single : A 25 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.8!) USER MOD Single : A 28 HIS : no HE2:sc= -5.99! C(o=-6!,f=-9.2!) USER MOD Single : A 30 TYR OH : rot 165:sc= -3.62! USER MOD Single : A 31 LYS NZ :NH3+ 156:sc=-0.00358 (180deg=-0.161) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 36 GLN : amide:sc= -6.49! C(o=-6.5!,f=-6.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.19 K(o=-4.2,f=-9.4!) USER MOD Single : A 46 MET CE :methyl -117:sc= -0.538 (180deg=-4.48!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.109 X(o=-0.11,f=0.11) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 50:sc= 0.409 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.944 USER MOD Single : A 71 MET CE :methyl 144:sc= -2.96 (180deg=-10.4!) USER MOD Single : A 76 THR OG1 : rot -109:sc= 1.3 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -167:sc= -3.91 (180deg=-5.27!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 108 SER OG : rot 110:sc= -0.226 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot 0:sc= -1.84 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.530 3.494 -1.253 1.00 2.12 N ATOM 2 CA MET A 1 5.561 2.825 -2.038 1.00 55.40 C ATOM 3 C MET A 1 5.606 1.334 -1.719 1.00 43.44 C ATOM 4 O MET A 1 5.864 0.940 -0.583 1.00 21.44 O ATOM 5 CB MET A 1 6.928 3.458 -1.767 1.00 1.43 C ATOM 6 CG MET A 1 7.474 4.253 -2.941 1.00 14.10 C ATOM 7 SD MET A 1 8.447 3.241 -4.072 1.00 63.13 S ATOM 8 CE MET A 1 8.992 4.476 -5.249 1.00 63.32 C ATOM 0 H1 MET A 1 4.518 4.507 -1.487 1.00 2.12 H new ATOM 0 H2 MET A 1 3.602 3.077 -1.471 1.00 2.12 H new ATOM 0 H3 MET A 1 4.733 3.375 -0.240 1.00 2.12 H new ATOM 0 HA MET A 1 5.315 2.945 -3.093 1.00 55.40 H new ATOM 0 HB2 MET A 1 6.850 4.114 -0.900 1.00 1.43 H new ATOM 0 HB3 MET A 1 7.638 2.672 -1.509 1.00 1.43 H new ATOM 0 HG2 MET A 1 6.645 4.705 -3.486 1.00 14.10 H new ATOM 0 HG3 MET A 1 8.092 5.069 -2.566 1.00 14.10 H new ATOM 0 HE1 MET A 1 9.607 4.003 -6.014 1.00 63.32 H new ATOM 0 HE2 MET A 1 8.124 4.941 -5.717 1.00 63.32 H new ATOM 0 HE3 MET A 1 9.577 5.237 -4.733 1.00 63.32 H new ATOM 18 N SER A 2 5.353 0.510 -2.732 1.00 54.23 N ATOM 19 CA SER A 2 5.360 -0.938 -2.558 1.00 32.41 C ATOM 20 C SER A 2 6.668 -1.402 -1.925 1.00 10.23 C ATOM 21 O SER A 2 7.721 -0.796 -2.129 1.00 4.44 O ATOM 22 CB SER A 2 5.156 -1.635 -3.904 1.00 33.45 C ATOM 23 OG SER A 2 6.311 -1.522 -4.717 1.00 15.20 O ATOM 0 H SER A 2 5.141 0.820 -3.680 1.00 54.23 H new ATOM 0 HA SER A 2 4.540 -1.204 -1.891 1.00 32.41 H new ATOM 0 HB2 SER A 2 4.924 -2.687 -3.741 1.00 33.45 H new ATOM 0 HB3 SER A 2 4.301 -1.196 -4.418 1.00 33.45 H new ATOM 0 HG SER A 2 6.156 -1.977 -5.571 1.00 15.20 H new ATOM 29 N LEU A 3 6.594 -2.482 -1.154 1.00 73.31 N ATOM 30 CA LEU A 3 7.772 -3.031 -0.490 1.00 75.02 C ATOM 31 C LEU A 3 8.673 -3.752 -1.487 1.00 14.53 C ATOM 32 O LEU A 3 8.219 -4.612 -2.242 1.00 42.22 O ATOM 33 CB LEU A 3 7.351 -3.991 0.623 1.00 63.32 C ATOM 34 CG LEU A 3 7.262 -3.393 2.027 1.00 12.11 C ATOM 35 CD1 LEU A 3 6.348 -4.232 2.907 1.00 30.40 C ATOM 36 CD2 LEU A 3 8.646 -3.279 2.650 1.00 14.33 C ATOM 0 H LEU A 3 5.731 -2.995 -0.973 1.00 73.31 H new ATOM 0 HA LEU A 3 8.333 -2.204 -0.055 1.00 75.02 H new ATOM 0 HB2 LEU A 3 6.378 -4.409 0.366 1.00 63.32 H new ATOM 0 HB3 LEU A 3 8.058 -4.820 0.647 1.00 63.32 H new ATOM 0 HG LEU A 3 6.839 -2.392 1.947 1.00 12.11 H new ATOM 0 HD11 LEU A 3 6.297 -3.791 3.903 1.00 30.40 H new ATOM 0 HD12 LEU A 3 5.349 -4.261 2.471 1.00 30.40 H new ATOM 0 HD13 LEU A 3 6.742 -5.246 2.979 1.00 30.40 H new ATOM 0 HD21 LEU A 3 8.561 -2.851 3.649 1.00 14.33 H new ATOM 0 HD22 LEU A 3 9.098 -4.269 2.716 1.00 14.33 H new ATOM 0 HD23 LEU A 3 9.271 -2.635 2.032 1.00 14.33 H new ATOM 48 N LYS A 4 9.953 -3.397 -1.483 1.00 74.23 N ATOM 49 CA LYS A 4 10.921 -4.012 -2.384 1.00 53.11 C ATOM 50 C LYS A 4 10.791 -5.532 -2.367 1.00 23.13 C ATOM 51 O LYS A 4 10.722 -6.169 -3.417 1.00 33.14 O ATOM 52 CB LYS A 4 12.344 -3.606 -1.992 1.00 4.34 C ATOM 53 CG LYS A 4 12.662 -3.848 -0.526 1.00 14.11 C ATOM 54 CD LYS A 4 13.754 -2.914 -0.031 1.00 62.11 C ATOM 55 CE LYS A 4 13.799 -2.864 1.488 1.00 4.50 C ATOM 56 NZ LYS A 4 15.187 -2.694 1.996 1.00 25.42 N1+ ATOM 0 H LYS A 4 10.345 -2.686 -0.865 1.00 74.23 H new ATOM 0 HA LYS A 4 10.715 -3.659 -3.394 1.00 53.11 H new ATOM 0 HB2 LYS A 4 13.054 -4.161 -2.606 1.00 4.34 H new ATOM 0 HB3 LYS A 4 12.487 -2.549 -2.217 1.00 4.34 H new ATOM 0 HG2 LYS A 4 11.761 -3.705 0.071 1.00 14.11 H new ATOM 0 HG3 LYS A 4 12.976 -4.882 -0.387 1.00 14.11 H new ATOM 0 HD2 LYS A 4 14.719 -3.246 -0.414 1.00 62.11 H new ATOM 0 HD3 LYS A 4 13.583 -1.912 -0.424 1.00 62.11 H new ATOM 0 HE2 LYS A 4 13.179 -2.041 1.843 1.00 4.50 H new ATOM 0 HE3 LYS A 4 13.373 -3.782 1.894 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 15.175 -2.665 3.036 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 15.773 -3.493 1.679 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 15.585 -1.806 1.629 1.00 25.42 H new ATOM 70 N SER A 5 10.757 -6.105 -1.169 1.00 45.41 N ATOM 71 CA SER A 5 10.637 -7.550 -1.015 1.00 45.22 C ATOM 72 C SER A 5 9.572 -8.109 -1.954 1.00 54.53 C ATOM 73 O SER A 5 9.682 -9.239 -2.432 1.00 44.30 O ATOM 74 CB SER A 5 10.293 -7.904 0.433 1.00 53.55 C ATOM 75 OG SER A 5 10.570 -6.819 1.303 1.00 22.21 O ATOM 0 H SER A 5 10.811 -5.591 -0.290 1.00 45.41 H new ATOM 0 HA SER A 5 11.596 -7.999 -1.272 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.239 -8.172 0.505 1.00 53.55 H new ATOM 0 HB3 SER A 5 10.866 -8.778 0.743 1.00 53.55 H new ATOM 0 HG SER A 5 9.777 -6.248 1.377 1.00 22.21 H new ATOM 81 N ASP A 6 8.543 -7.311 -2.213 1.00 52.44 N ATOM 82 CA ASP A 6 7.458 -7.725 -3.095 1.00 71.01 C ATOM 83 C ASP A 6 7.999 -8.168 -4.450 1.00 21.35 C ATOM 84 O ASP A 6 7.625 -9.223 -4.962 1.00 22.51 O ATOM 85 CB ASP A 6 6.459 -6.582 -3.279 1.00 22.02 C ATOM 86 CG ASP A 6 5.138 -7.054 -3.854 1.00 15.21 C ATOM 87 OD1 ASP A 6 5.025 -7.132 -5.095 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 4.217 -7.347 -3.063 1.00 43.34 O ATOM 0 H ASP A 6 8.437 -6.374 -1.825 1.00 52.44 H new ATOM 0 HA ASP A 6 6.949 -8.571 -2.633 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.282 -6.100 -2.318 1.00 22.02 H new ATOM 0 HB3 ASP A 6 6.890 -5.829 -3.938 1.00 22.02 H new ATOM 93 N GLU A 7 8.879 -7.355 -5.025 1.00 34.23 N ATOM 94 CA GLU A 7 9.469 -7.665 -6.322 1.00 34.02 C ATOM 95 C GLU A 7 10.132 -9.039 -6.305 1.00 65.44 C ATOM 96 O GLU A 7 10.049 -9.794 -7.274 1.00 4.31 O ATOM 97 CB GLU A 7 10.494 -6.597 -6.709 1.00 60.23 C ATOM 98 CG GLU A 7 10.704 -6.468 -8.209 1.00 53.31 C ATOM 99 CD GLU A 7 10.433 -5.065 -8.717 1.00 52.50 C ATOM 100 OE1 GLU A 7 11.203 -4.147 -8.367 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 9.449 -4.886 -9.466 1.00 42.03 O ATOM 0 H GLU A 7 9.199 -6.478 -4.614 1.00 34.23 H new ATOM 0 HA GLU A 7 8.669 -7.676 -7.062 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.171 -5.635 -6.312 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.447 -6.833 -6.236 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.729 -6.748 -8.454 1.00 53.31 H new ATOM 0 HG3 GLU A 7 10.050 -7.170 -8.726 1.00 53.31 H new ATOM 108 N VAL A 8 10.792 -9.356 -5.196 1.00 74.30 N ATOM 109 CA VAL A 8 11.470 -10.640 -5.051 1.00 35.34 C ATOM 110 C VAL A 8 10.494 -11.799 -5.219 1.00 41.31 C ATOM 111 O VAL A 8 10.682 -12.664 -6.074 1.00 60.20 O ATOM 112 CB VAL A 8 12.160 -10.757 -3.679 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.537 -12.204 -3.393 1.00 15.23 C ATOM 114 CG2 VAL A 8 13.385 -9.857 -3.620 1.00 74.14 C ATOM 0 H VAL A 8 10.872 -8.742 -4.385 1.00 74.30 H new ATOM 0 HA VAL A 8 12.226 -10.690 -5.835 1.00 35.34 H new ATOM 0 HB VAL A 8 11.460 -10.430 -2.910 1.00 62.21 H new ATOM 0 HG11 VAL A 8 13.023 -12.268 -2.420 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.638 -12.821 -3.391 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.220 -12.561 -4.164 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.860 -9.952 -2.644 1.00 74.14 H new ATOM 0 HG22 VAL A 8 14.090 -10.151 -4.397 1.00 74.14 H new ATOM 0 HG23 VAL A 8 13.084 -8.821 -3.777 1.00 74.14 H new ATOM 124 N PHE A 9 9.451 -11.810 -4.396 1.00 5.40 N ATOM 125 CA PHE A 9 8.445 -12.864 -4.451 1.00 4.42 C ATOM 126 C PHE A 9 7.974 -13.090 -5.885 1.00 14.12 C ATOM 127 O PHE A 9 7.797 -14.228 -6.319 1.00 72.03 O ATOM 128 CB PHE A 9 7.252 -12.507 -3.561 1.00 14.30 C ATOM 129 CG PHE A 9 7.520 -12.696 -2.096 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.895 -13.935 -1.601 1.00 64.03 C ATOM 131 CD2 PHE A 9 7.398 -11.635 -1.213 1.00 71.40 C ATOM 132 CE1 PHE A 9 8.143 -14.112 -0.252 1.00 45.45 C ATOM 133 CE2 PHE A 9 7.644 -11.806 0.136 1.00 70.23 C ATOM 134 CZ PHE A 9 8.017 -13.046 0.617 1.00 3.11 C ATOM 0 H PHE A 9 9.280 -11.101 -3.683 1.00 5.40 H new ATOM 0 HA PHE A 9 8.899 -13.785 -4.086 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.973 -11.469 -3.740 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.398 -13.121 -3.848 1.00 14.30 H new ATOM 0 HD1 PHE A 9 7.995 -14.772 -2.276 1.00 64.03 H new ATOM 0 HD2 PHE A 9 7.107 -10.663 -1.583 1.00 71.40 H new ATOM 0 HE1 PHE A 9 8.435 -15.082 0.121 1.00 45.45 H new ATOM 0 HE2 PHE A 9 7.545 -10.971 0.814 1.00 70.23 H new ATOM 0 HZ PHE A 9 8.210 -13.182 1.671 1.00 3.11 H new ATOM 144 N ALA A 10 7.771 -11.997 -6.615 1.00 54.15 N ATOM 145 CA ALA A 10 7.322 -12.076 -7.999 1.00 71.40 C ATOM 146 C ALA A 10 8.312 -12.860 -8.854 1.00 23.42 C ATOM 147 O ALA A 10 7.926 -13.749 -9.612 1.00 32.34 O ATOM 148 CB ALA A 10 7.121 -10.679 -8.568 1.00 11.12 C ATOM 0 H ALA A 10 7.911 -11.047 -6.270 1.00 54.15 H new ATOM 0 HA ALA A 10 6.369 -12.605 -8.017 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.786 -10.752 -9.603 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.370 -10.151 -7.980 1.00 11.12 H new ATOM 0 HB3 ALA A 10 8.063 -10.132 -8.530 1.00 11.12 H new ATOM 154 N LYS A 11 9.592 -12.524 -8.727 1.00 53.04 N ATOM 155 CA LYS A 11 10.639 -13.197 -9.487 1.00 71.11 C ATOM 156 C LYS A 11 10.573 -14.707 -9.285 1.00 34.23 C ATOM 157 O LYS A 11 10.592 -15.473 -10.249 1.00 35.32 O ATOM 158 CB LYS A 11 12.016 -12.675 -9.070 1.00 75.32 C ATOM 159 CG LYS A 11 12.221 -11.198 -9.362 1.00 51.04 C ATOM 160 CD LYS A 11 11.966 -10.880 -10.825 1.00 31.12 C ATOM 161 CE LYS A 11 12.890 -11.671 -11.738 1.00 2.51 C ATOM 162 NZ LYS A 11 12.135 -12.603 -12.618 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.929 -11.789 -8.105 1.00 53.04 H new ATOM 0 HA LYS A 11 10.481 -12.983 -10.544 1.00 71.11 H new ATOM 0 HB2 LYS A 11 12.153 -12.848 -8.003 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.785 -13.249 -9.587 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.552 -10.606 -8.738 1.00 51.04 H new ATOM 0 HG3 LYS A 11 13.239 -10.912 -9.098 1.00 51.04 H new ATOM 0 HD2 LYS A 11 10.929 -11.106 -11.072 1.00 31.12 H new ATOM 0 HD3 LYS A 11 12.109 -9.813 -10.997 1.00 31.12 H new ATOM 0 HE2 LYS A 11 13.471 -10.982 -12.352 1.00 2.51 H new ATOM 0 HE3 LYS A 11 13.600 -12.236 -11.134 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 12.712 -12.838 -13.451 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 11.913 -13.473 -12.093 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 11.251 -12.150 -12.926 1.00 32.05 H new ATOM 176 N ILE A 12 10.495 -15.128 -8.027 1.00 21.10 N ATOM 177 CA ILE A 12 10.424 -16.547 -7.700 1.00 64.54 C ATOM 178 C ILE A 12 9.268 -17.222 -8.429 1.00 34.03 C ATOM 179 O ILE A 12 9.413 -18.323 -8.960 1.00 74.53 O ATOM 180 CB ILE A 12 10.260 -16.767 -6.184 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.564 -16.444 -5.455 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.830 -18.200 -5.901 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.527 -16.766 -3.977 1.00 2.33 C ATOM 0 H ILE A 12 10.479 -14.507 -7.218 1.00 21.10 H new ATOM 0 HA ILE A 12 11.364 -16.994 -8.024 1.00 64.54 H new ATOM 0 HB ILE A 12 9.485 -16.095 -5.816 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.378 -17.001 -5.919 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.789 -15.385 -5.582 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.718 -18.341 -4.826 1.00 5.33 H new ATOM 0 HG22 ILE A 12 8.878 -18.398 -6.394 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.585 -18.888 -6.280 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.486 -16.511 -3.525 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.735 -16.189 -3.499 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.333 -17.830 -3.841 1.00 2.33 H new ATOM 195 N ALA A 13 8.119 -16.553 -8.453 1.00 52.24 N ATOM 196 CA ALA A 13 6.939 -17.086 -9.121 1.00 63.33 C ATOM 197 C ALA A 13 7.142 -17.148 -10.631 1.00 65.53 C ATOM 198 O ALA A 13 6.963 -18.196 -11.250 1.00 52.01 O ATOM 199 CB ALA A 13 5.717 -16.244 -8.785 1.00 65.33 C ATOM 0 H ALA A 13 7.981 -15.641 -8.017 1.00 52.24 H new ATOM 0 HA ALA A 13 6.777 -18.102 -8.761 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.843 -16.654 -9.291 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.552 -16.256 -7.708 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.880 -15.218 -9.116 1.00 65.33 H new ATOM 205 N LYS A 14 7.518 -16.017 -11.219 1.00 61.31 N ATOM 206 CA LYS A 14 7.747 -15.941 -12.657 1.00 24.13 C ATOM 207 C LYS A 14 8.757 -16.995 -13.103 1.00 74.23 C ATOM 208 O LYS A 14 8.676 -17.511 -14.218 1.00 64.00 O ATOM 209 CB LYS A 14 8.246 -14.546 -13.042 1.00 55.21 C ATOM 210 CG LYS A 14 7.993 -14.191 -14.497 1.00 43.13 C ATOM 211 CD LYS A 14 8.786 -12.964 -14.916 1.00 15.10 C ATOM 212 CE LYS A 14 8.523 -12.601 -16.370 1.00 0.23 C ATOM 213 NZ LYS A 14 8.869 -11.182 -16.658 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.671 -15.140 -10.721 1.00 61.31 H new ATOM 0 HA LYS A 14 6.800 -16.133 -13.161 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.759 -13.807 -12.406 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.316 -14.484 -12.842 1.00 55.21 H new ATOM 0 HG2 LYS A 14 8.264 -15.035 -15.131 1.00 43.13 H new ATOM 0 HG3 LYS A 14 6.929 -14.007 -14.648 1.00 43.13 H new ATOM 0 HD2 LYS A 14 8.521 -12.122 -14.276 1.00 15.10 H new ATOM 0 HD3 LYS A 14 9.850 -13.151 -14.773 1.00 15.10 H new ATOM 0 HE2 LYS A 14 9.105 -13.256 -17.019 1.00 0.23 H new ATOM 0 HE3 LYS A 14 7.472 -12.773 -16.603 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 8.676 -10.974 -17.658 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 8.296 -10.556 -16.057 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 9.878 -11.024 -16.460 1.00 52.31 H new ATOM 227 N ARG A 15 9.703 -17.309 -12.226 1.00 24.20 N ATOM 228 CA ARG A 15 10.728 -18.302 -12.530 1.00 2.23 C ATOM 229 C ARG A 15 10.125 -19.701 -12.595 1.00 74.55 C ATOM 230 O ARG A 15 10.552 -20.537 -13.394 1.00 13.42 O ATOM 231 CB ARG A 15 11.837 -18.260 -11.477 1.00 52.33 C ATOM 232 CG ARG A 15 12.780 -19.449 -11.539 1.00 60.13 C ATOM 233 CD ARG A 15 13.479 -19.537 -12.886 1.00 64.22 C ATOM 234 NE ARG A 15 13.359 -20.865 -13.482 1.00 31.41 N ATOM 235 CZ ARG A 15 14.136 -21.302 -14.467 1.00 3.45 C ATOM 236 NH1 ARG A 15 15.083 -20.520 -14.965 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 13.965 -22.524 -14.956 1.00 54.20 N ATOM 0 H ARG A 15 9.782 -16.891 -11.299 1.00 24.20 H new ATOM 0 HA ARG A 15 11.154 -18.063 -13.505 1.00 2.23 H new ATOM 0 HB2 ARG A 15 12.413 -17.343 -11.604 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.384 -18.217 -10.486 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.524 -19.366 -10.747 1.00 60.13 H new ATOM 0 HG3 ARG A 15 12.222 -20.367 -11.357 1.00 60.13 H new ATOM 0 HD2 ARG A 15 13.054 -18.796 -13.563 1.00 64.22 H new ATOM 0 HD3 ARG A 15 14.533 -19.289 -12.764 1.00 64.22 H new ATOM 0 HE ARG A 15 12.639 -21.491 -13.122 1.00 31.41 H new ATOM 0 HH11 ARG A 15 15.217 -19.580 -14.592 1.00 71.10 H new ATOM 0 HH12 ARG A 15 15.678 -20.858 -15.721 1.00 71.10 H new ATOM 0 HH21 ARG A 15 13.237 -23.128 -14.576 1.00 54.20 H new ATOM 0 HH22 ARG A 15 14.562 -22.859 -15.712 1.00 54.20 H new ATOM 251 N LEU A 16 9.131 -19.953 -11.750 1.00 62.42 N ATOM 252 CA LEU A 16 8.470 -21.253 -11.710 1.00 42.54 C ATOM 253 C LEU A 16 7.822 -21.574 -13.053 1.00 3.14 C ATOM 254 O LEU A 16 7.764 -22.734 -13.462 1.00 45.05 O ATOM 255 CB LEU A 16 7.416 -21.276 -10.603 1.00 71.15 C ATOM 256 CG LEU A 16 7.948 -21.288 -9.169 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.799 -21.283 -8.173 1.00 44.00 C ATOM 258 CD2 LEU A 16 8.847 -22.495 -8.943 1.00 22.33 C ATOM 0 H LEU A 16 8.765 -19.274 -11.083 1.00 62.42 H new ATOM 0 HA LEU A 16 9.224 -22.012 -11.501 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.773 -20.404 -10.723 1.00 71.15 H new ATOM 0 HB3 LEU A 16 6.789 -22.157 -10.744 1.00 71.15 H new ATOM 0 HG LEU A 16 8.540 -20.386 -9.014 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.197 -21.292 -7.158 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.195 -20.387 -8.318 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.180 -22.167 -8.327 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.216 -22.487 -7.917 1.00 22.33 H new ATOM 0 HD22 LEU A 16 8.279 -23.409 -9.117 1.00 22.33 H new ATOM 0 HD23 LEU A 16 9.690 -22.455 -9.632 1.00 22.33 H new ATOM 270 N GLU A 17 7.338 -20.541 -13.733 1.00 24.21 N ATOM 271 CA GLU A 17 6.696 -20.714 -15.030 1.00 73.03 C ATOM 272 C GLU A 17 7.684 -21.259 -16.059 1.00 53.54 C ATOM 273 O GLU A 17 7.287 -21.767 -17.108 1.00 53.11 O ATOM 274 CB GLU A 17 6.115 -19.386 -15.520 1.00 62.44 C ATOM 275 CG GLU A 17 5.253 -18.681 -14.485 1.00 32.22 C ATOM 276 CD GLU A 17 4.808 -17.304 -14.938 1.00 55.30 C ATOM 277 OE1 GLU A 17 5.354 -16.804 -15.943 1.00 71.21 O1- ATOM 278 OE2 GLU A 17 3.913 -16.726 -14.285 1.00 64.43 O ATOM 0 H GLU A 17 7.378 -19.575 -13.408 1.00 24.21 H new ATOM 0 HA GLU A 17 5.887 -21.434 -14.911 1.00 73.03 H new ATOM 0 HB2 GLU A 17 6.933 -18.726 -15.810 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.519 -19.568 -16.414 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.375 -19.291 -14.272 1.00 32.22 H new ATOM 0 HG3 GLU A 17 5.811 -18.590 -13.553 1.00 32.22 H new ATOM 285 N SER A 18 8.972 -21.150 -15.749 1.00 60.23 N ATOM 286 CA SER A 18 10.017 -21.627 -16.647 1.00 50.12 C ATOM 287 C SER A 18 10.141 -23.146 -16.577 1.00 44.52 C ATOM 288 O SER A 18 10.292 -23.815 -17.600 1.00 12.43 O ATOM 289 CB SER A 18 11.357 -20.977 -16.295 1.00 53.43 C ATOM 290 OG SER A 18 11.235 -19.568 -16.215 1.00 62.03 O ATOM 0 H SER A 18 9.317 -20.736 -14.883 1.00 60.23 H new ATOM 0 HA SER A 18 9.743 -21.349 -17.665 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.716 -21.369 -15.343 1.00 53.43 H new ATOM 0 HB3 SER A 18 12.101 -21.239 -17.048 1.00 53.43 H new ATOM 0 HG SER A 18 10.988 -19.312 -15.302 1.00 62.03 H new ATOM 296 N ILE A 19 10.078 -23.683 -15.363 1.00 61.30 N ATOM 297 CA ILE A 19 10.182 -25.123 -15.159 1.00 41.24 C ATOM 298 C ILE A 19 9.261 -25.881 -16.110 1.00 31.14 C ATOM 299 O ILE A 19 8.047 -25.918 -15.916 1.00 72.51 O ATOM 300 CB ILE A 19 9.838 -25.512 -13.710 1.00 11.12 C ATOM 301 CG1 ILE A 19 10.797 -24.829 -12.733 1.00 33.03 C ATOM 302 CG2 ILE A 19 9.889 -27.023 -13.541 1.00 52.32 C ATOM 303 CD1 ILE A 19 10.133 -24.373 -11.453 1.00 70.51 C ATOM 0 H ILE A 19 9.956 -23.143 -14.506 1.00 61.30 H new ATOM 0 HA ILE A 19 11.217 -25.397 -15.364 1.00 41.24 H new ATOM 0 HB ILE A 19 8.825 -25.175 -13.490 1.00 11.12 H new ATOM 0 HG12 ILE A 19 11.605 -25.518 -12.488 1.00 33.03 H new ATOM 0 HG13 ILE A 19 11.251 -23.968 -13.224 1.00 33.03 H new ATOM 0 HG21 ILE A 19 9.643 -27.282 -12.511 1.00 52.32 H new ATOM 0 HG22 ILE A 19 9.169 -27.489 -14.214 1.00 52.32 H new ATOM 0 HG23 ILE A 19 10.891 -27.382 -13.777 1.00 52.32 H new ATOM 0 HD11 ILE A 19 10.873 -23.898 -10.809 1.00 70.51 H new ATOM 0 HD12 ILE A 19 9.344 -23.659 -11.687 1.00 70.51 H new ATOM 0 HD13 ILE A 19 9.703 -25.233 -10.940 1.00 70.51 H new ATOM 315 N ASP A 20 9.849 -26.486 -17.136 1.00 31.11 N ATOM 316 CA ASP A 20 9.082 -27.246 -18.116 1.00 60.31 C ATOM 317 C ASP A 20 8.443 -28.473 -17.473 1.00 52.22 C ATOM 318 O ASP A 20 9.000 -29.091 -16.565 1.00 2.52 O ATOM 319 CB ASP A 20 9.982 -27.675 -19.277 1.00 72.22 C ATOM 320 CG ASP A 20 9.521 -27.108 -20.606 1.00 72.21 C ATOM 321 OD1 ASP A 20 9.365 -25.873 -20.702 1.00 1.44 O ATOM 322 OD2 ASP A 20 9.319 -27.900 -21.549 1.00 54.13 O1- ATOM 0 H ASP A 20 10.854 -26.465 -17.311 1.00 31.11 H new ATOM 0 HA ASP A 20 8.289 -26.603 -18.498 1.00 60.31 H new ATOM 0 HB2 ASP A 20 11.004 -27.349 -19.081 1.00 72.22 H new ATOM 0 HB3 ASP A 20 10.000 -28.763 -19.336 1.00 72.22 H new ATOM 327 N PRO A 21 7.242 -28.833 -17.951 1.00 3.01 N ATOM 328 CA PRO A 21 6.499 -29.987 -17.435 1.00 51.32 C ATOM 329 C PRO A 21 7.156 -31.313 -17.809 1.00 31.01 C ATOM 330 O PRO A 21 6.912 -32.337 -17.173 1.00 73.52 O ATOM 331 CB PRO A 21 5.132 -29.860 -18.111 1.00 40.32 C ATOM 332 CG PRO A 21 5.396 -29.089 -19.358 1.00 41.15 C ATOM 333 CD PRO A 21 6.518 -28.143 -19.031 1.00 41.12 C ATOM 0 HA PRO A 21 6.453 -29.988 -16.346 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.708 -30.839 -18.333 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.419 -29.342 -17.469 1.00 40.32 H new ATOM 0 HG2 PRO A 21 5.672 -29.754 -20.177 1.00 41.15 H new ATOM 0 HG3 PRO A 21 4.507 -28.545 -19.676 1.00 41.15 H new ATOM 0 HD2 PRO A 21 7.159 -27.966 -19.895 1.00 41.12 H new ATOM 0 HD3 PRO A 21 6.143 -27.172 -18.707 1.00 41.12 H new ATOM 341 N ALA A 22 7.989 -31.284 -18.844 1.00 74.25 N ATOM 342 CA ALA A 22 8.683 -32.483 -19.300 1.00 71.25 C ATOM 343 C ALA A 22 9.998 -32.674 -18.552 1.00 24.44 C ATOM 344 O ALA A 22 10.774 -33.576 -18.864 1.00 64.13 O ATOM 345 CB ALA A 22 8.932 -32.410 -20.800 1.00 74.40 C ATOM 0 H ALA A 22 8.200 -30.444 -19.383 1.00 74.25 H new ATOM 0 HA ALA A 22 8.048 -33.343 -19.090 1.00 71.25 H new ATOM 0 HB1 ALA A 22 9.451 -33.311 -21.127 1.00 74.40 H new ATOM 0 HB2 ALA A 22 7.979 -32.329 -21.323 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.545 -31.537 -21.025 1.00 74.40 H new ATOM 351 N ASN A 23 10.241 -31.819 -17.564 1.00 31.42 N ATOM 352 CA ASN A 23 11.463 -31.895 -16.772 1.00 33.21 C ATOM 353 C ASN A 23 11.339 -31.064 -15.499 1.00 71.22 C ATOM 354 O ASN A 23 11.408 -29.834 -15.538 1.00 21.44 O ATOM 355 CB ASN A 23 12.659 -31.411 -17.596 1.00 24.34 C ATOM 356 CG ASN A 23 13.916 -32.214 -17.318 1.00 24.24 C ATOM 357 OD1 ASN A 23 14.405 -32.941 -18.182 1.00 64.52 O ATOM 358 ND2 ASN A 23 14.443 -32.086 -16.105 1.00 44.13 N ATOM 0 H ASN A 23 9.608 -31.066 -17.293 1.00 31.42 H new ATOM 0 HA ASN A 23 11.620 -32.936 -16.491 1.00 33.21 H new ATOM 0 HB2 ASN A 23 12.416 -31.477 -18.657 1.00 24.34 H new ATOM 0 HB3 ASN A 23 12.847 -30.360 -17.376 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.287 -32.602 -15.859 1.00 44.13 H new ATOM 0 HD22 ASN A 23 14.003 -31.471 -15.420 1.00 44.13 H new ATOM 365 N ARG A 24 11.155 -31.742 -14.371 1.00 31.34 N ATOM 366 CA ARG A 24 11.020 -31.067 -13.086 1.00 3.31 C ATOM 367 C ARG A 24 12.339 -31.090 -12.319 1.00 41.40 C ATOM 368 O ARG A 24 13.383 -31.433 -12.872 1.00 60.52 O ATOM 369 CB ARG A 24 9.919 -31.727 -12.253 1.00 43.24 C ATOM 370 CG ARG A 24 8.571 -31.774 -12.952 1.00 73.04 C ATOM 371 CD ARG A 24 7.891 -30.414 -12.944 1.00 15.52 C ATOM 372 NE ARG A 24 7.879 -29.815 -11.613 1.00 53.32 N ATOM 373 CZ ARG A 24 6.964 -30.093 -10.690 1.00 20.53 C ATOM 374 NH1 ARG A 24 5.991 -30.955 -10.955 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 7.020 -29.508 -9.501 1.00 32.13 N ATOM 0 H ARG A 24 11.096 -32.759 -14.321 1.00 31.34 H new ATOM 0 HA ARG A 24 10.749 -30.028 -13.275 1.00 3.31 H new ATOM 0 HB2 ARG A 24 10.224 -32.743 -12.003 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.812 -31.185 -11.313 1.00 43.24 H new ATOM 0 HG2 ARG A 24 8.705 -32.109 -13.981 1.00 73.04 H new ATOM 0 HG3 ARG A 24 7.930 -32.505 -12.460 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.405 -29.748 -13.636 1.00 15.52 H new ATOM 0 HD3 ARG A 24 6.867 -30.519 -13.303 1.00 15.52 H new ATOM 0 HE ARG A 24 8.613 -29.147 -11.378 1.00 53.32 H new ATOM 0 HH11 ARG A 24 5.944 -31.406 -11.869 1.00 42.41 H new ATOM 0 HH12 ARG A 24 5.290 -31.167 -10.245 1.00 42.41 H new ATOM 0 HH21 ARG A 24 7.766 -28.844 -9.294 1.00 32.13 H new ATOM 0 HH22 ARG A 24 6.317 -29.722 -8.794 1.00 32.13 H new ATOM 389 N GLN A 25 12.280 -30.723 -11.043 1.00 23.44 N ATOM 390 CA GLN A 25 13.471 -30.701 -10.200 1.00 3.41 C ATOM 391 C GLN A 25 13.098 -30.853 -8.728 1.00 43.32 C ATOM 392 O GLN A 25 12.994 -29.868 -7.999 1.00 3.03 O ATOM 393 CB GLN A 25 14.246 -29.400 -10.411 1.00 73.40 C ATOM 394 CG GLN A 25 14.954 -29.324 -11.754 1.00 65.05 C ATOM 395 CD GLN A 25 15.881 -30.500 -11.993 1.00 54.13 C ATOM 396 OE1 GLN A 25 16.303 -31.174 -11.052 1.00 72.12 O ATOM 397 NE2 GLN A 25 16.202 -30.753 -13.255 1.00 12.31 N ATOM 0 H GLN A 25 11.422 -30.437 -10.570 1.00 23.44 H new ATOM 0 HA GLN A 25 14.103 -31.542 -10.484 1.00 3.41 H new ATOM 0 HB2 GLN A 25 13.558 -28.559 -10.324 1.00 73.40 H new ATOM 0 HB3 GLN A 25 14.983 -29.293 -9.615 1.00 73.40 H new ATOM 0 HG2 GLN A 25 14.211 -29.284 -12.550 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.527 -28.398 -11.806 1.00 65.05 H new ATOM 0 HE21 GLN A 25 15.829 -30.168 -14.003 1.00 12.31 H new ATOM 0 HE22 GLN A 25 16.822 -31.532 -13.477 1.00 12.31 H new ATOM 406 N VAL A 26 12.900 -32.096 -8.299 1.00 53.35 N ATOM 407 CA VAL A 26 12.541 -32.377 -6.915 1.00 53.24 C ATOM 408 C VAL A 26 11.222 -31.709 -6.542 1.00 23.30 C ATOM 409 O VAL A 26 11.194 -30.537 -6.166 1.00 23.40 O ATOM 410 CB VAL A 26 13.636 -31.902 -5.942 1.00 62.44 C ATOM 411 CG1 VAL A 26 13.117 -31.897 -4.513 1.00 24.22 C ATOM 412 CG2 VAL A 26 14.874 -32.778 -6.065 1.00 61.33 C ATOM 0 H VAL A 26 12.982 -32.923 -8.890 1.00 53.35 H new ATOM 0 HA VAL A 26 12.435 -33.459 -6.831 1.00 53.24 H new ATOM 0 HB VAL A 26 13.913 -30.881 -6.205 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.905 -31.558 -3.841 1.00 24.22 H new ATOM 0 HG12 VAL A 26 12.263 -31.224 -4.438 1.00 24.22 H new ATOM 0 HG13 VAL A 26 12.810 -32.905 -4.234 1.00 24.22 H new ATOM 0 HG21 VAL A 26 15.638 -32.428 -5.370 1.00 61.33 H new ATOM 0 HG22 VAL A 26 14.614 -33.810 -5.829 1.00 61.33 H new ATOM 0 HG23 VAL A 26 15.258 -32.724 -7.084 1.00 61.33 H new ATOM 422 N GLU A 27 10.131 -32.462 -6.650 1.00 51.22 N ATOM 423 CA GLU A 27 8.809 -31.941 -6.324 1.00 53.14 C ATOM 424 C GLU A 27 8.545 -32.026 -4.824 1.00 20.43 C ATOM 425 O GLU A 27 8.670 -33.091 -4.220 1.00 21.25 O ATOM 426 CB GLU A 27 7.731 -32.713 -7.089 1.00 64.43 C ATOM 427 CG GLU A 27 7.938 -32.721 -8.594 1.00 1.54 C ATOM 428 CD GLU A 27 7.826 -34.111 -9.191 1.00 23.31 C ATOM 429 OE1 GLU A 27 6.686 -34.582 -9.384 1.00 13.03 O ATOM 430 OE2 GLU A 27 8.878 -34.726 -9.463 1.00 0.53 O1- ATOM 0 H GLU A 27 10.137 -33.434 -6.960 1.00 51.22 H new ATOM 0 HA GLU A 27 8.775 -30.893 -6.621 1.00 53.14 H new ATOM 0 HB2 GLU A 27 7.708 -33.741 -6.729 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.757 -32.276 -6.867 1.00 64.43 H new ATOM 0 HG2 GLU A 27 7.201 -32.068 -9.062 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.921 -32.309 -8.824 1.00 1.54 H new ATOM 437 N HIS A 28 8.180 -30.895 -4.229 1.00 1.34 N ATOM 438 CA HIS A 28 7.898 -30.841 -2.798 1.00 23.23 C ATOM 439 C HIS A 28 7.264 -29.505 -2.420 1.00 12.45 C ATOM 440 O HIS A 28 7.067 -28.637 -3.270 1.00 2.54 O ATOM 441 CB HIS A 28 9.181 -31.056 -1.996 1.00 64.15 C ATOM 442 CG HIS A 28 10.227 -30.014 -2.248 1.00 70.02 C ATOM 443 ND1 HIS A 28 10.676 -29.689 -3.511 1.00 64.13 N ATOM 444 CD2 HIS A 28 10.913 -29.222 -1.392 1.00 51.55 C ATOM 445 CE1 HIS A 28 11.593 -28.743 -3.420 1.00 15.35 C ATOM 446 NE2 HIS A 28 11.756 -28.441 -2.145 1.00 63.45 N ATOM 0 H HIS A 28 8.072 -30.004 -4.714 1.00 1.34 H new ATOM 0 HA HIS A 28 7.193 -31.638 -2.560 1.00 23.23 H new ATOM 0 HB2 HIS A 28 8.938 -31.066 -0.933 1.00 64.15 H new ATOM 0 HB3 HIS A 28 9.591 -32.037 -2.238 1.00 64.15 H new ATOM 0 HD1 HIS A 28 10.351 -30.113 -4.380 1.00 64.13 H new ATOM 0 HD2 HIS A 28 10.816 -29.207 -0.316 1.00 51.55 H new ATOM 0 HE1 HIS A 28 12.120 -28.293 -4.248 1.00 15.35 H new ATOM 454 N VAL A 29 6.947 -29.348 -1.139 1.00 54.23 N ATOM 455 CA VAL A 29 6.337 -28.119 -0.648 1.00 31.14 C ATOM 456 C VAL A 29 7.130 -27.538 0.518 1.00 41.44 C ATOM 457 O VAL A 29 7.585 -28.269 1.397 1.00 25.11 O ATOM 458 CB VAL A 29 4.883 -28.355 -0.198 1.00 21.50 C ATOM 459 CG1 VAL A 29 4.260 -27.059 0.301 1.00 32.45 C ATOM 460 CG2 VAL A 29 4.062 -28.946 -1.334 1.00 5.11 C ATOM 0 H VAL A 29 7.103 -30.057 -0.422 1.00 54.23 H new ATOM 0 HA VAL A 29 6.343 -27.411 -1.476 1.00 31.14 H new ATOM 0 HB VAL A 29 4.889 -29.069 0.626 1.00 21.50 H new ATOM 0 HG11 VAL A 29 3.233 -27.246 0.614 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.834 -26.681 1.147 1.00 32.45 H new ATOM 0 HG13 VAL A 29 4.266 -26.320 -0.500 1.00 32.45 H new ATOM 0 HG21 VAL A 29 3.038 -29.106 -0.998 1.00 5.11 H new ATOM 0 HG22 VAL A 29 4.063 -28.258 -2.180 1.00 5.11 H new ATOM 0 HG23 VAL A 29 4.496 -29.898 -1.640 1.00 5.11 H new ATOM 470 N TYR A 30 7.291 -26.219 0.517 1.00 54.15 N ATOM 471 CA TYR A 30 8.031 -25.540 1.574 1.00 42.42 C ATOM 472 C TYR A 30 7.301 -24.279 2.026 1.00 53.31 C ATOM 473 O TYR A 30 6.610 -23.632 1.240 1.00 71.04 O ATOM 474 CB TYR A 30 9.438 -25.183 1.091 1.00 40.44 C ATOM 475 CG TYR A 30 9.550 -25.065 -0.412 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.579 -26.197 -1.217 1.00 63.54 C ATOM 477 CD2 TYR A 30 9.626 -23.821 -1.026 1.00 23.33 C ATOM 478 CE1 TYR A 30 9.683 -26.094 -2.591 1.00 50.54 C ATOM 479 CE2 TYR A 30 9.729 -23.709 -2.400 1.00 42.43 C ATOM 480 CZ TYR A 30 9.758 -24.847 -3.177 1.00 32.12 C ATOM 481 OH TYR A 30 9.859 -24.740 -4.546 1.00 33.15 O ATOM 0 H TYR A 30 6.919 -25.600 -0.203 1.00 54.15 H new ATOM 0 HA TYR A 30 8.107 -26.218 2.424 1.00 42.42 H new ATOM 0 HB2 TYR A 30 9.740 -24.239 1.545 1.00 40.44 H new ATOM 0 HB3 TYR A 30 10.137 -25.943 1.441 1.00 40.44 H new ATOM 0 HD1 TYR A 30 9.519 -27.174 -0.761 1.00 63.54 H new ATOM 0 HD2 TYR A 30 9.604 -22.927 -0.420 1.00 23.33 H new ATOM 0 HE1 TYR A 30 9.705 -26.984 -3.202 1.00 50.54 H new ATOM 0 HE2 TYR A 30 9.786 -22.735 -2.862 1.00 42.43 H new ATOM 0 HH TYR A 30 9.662 -23.819 -4.818 1.00 33.15 H new ATOM 491 N LYS A 31 7.461 -23.936 3.300 1.00 21.53 N ATOM 492 CA LYS A 31 6.820 -22.751 3.860 1.00 33.30 C ATOM 493 C LYS A 31 7.835 -21.633 4.071 1.00 72.40 C ATOM 494 O LYS A 31 9.009 -21.888 4.339 1.00 42.23 O ATOM 495 CB LYS A 31 6.139 -23.094 5.187 1.00 30.01 C ATOM 496 CG LYS A 31 5.047 -22.116 5.581 1.00 12.24 C ATOM 497 CD LYS A 31 5.339 -21.465 6.923 1.00 72.33 C ATOM 498 CE LYS A 31 5.066 -22.419 8.075 1.00 1.42 C ATOM 499 NZ LYS A 31 4.153 -21.819 9.088 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.029 -24.462 3.964 1.00 21.53 H new ATOM 0 HA LYS A 31 6.067 -22.405 3.151 1.00 33.30 H new ATOM 0 HB2 LYS A 31 5.712 -24.094 5.118 1.00 30.01 H new ATOM 0 HB3 LYS A 31 6.891 -23.122 5.975 1.00 30.01 H new ATOM 0 HG2 LYS A 31 4.953 -21.346 4.815 1.00 12.24 H new ATOM 0 HG3 LYS A 31 4.091 -22.637 5.629 1.00 12.24 H new ATOM 0 HD2 LYS A 31 6.380 -21.144 6.954 1.00 72.33 H new ATOM 0 HD3 LYS A 31 4.726 -20.571 7.036 1.00 72.33 H new ATOM 0 HE2 LYS A 31 4.626 -23.338 7.689 1.00 1.42 H new ATOM 0 HE3 LYS A 31 6.008 -22.692 8.551 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 3.673 -22.577 9.615 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.704 -21.234 9.748 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 3.444 -21.227 8.609 1.00 74.42 H new ATOM 513 N PHE A 32 7.374 -20.392 3.950 1.00 21.34 N ATOM 514 CA PHE A 32 8.242 -19.234 4.128 1.00 31.43 C ATOM 515 C PHE A 32 7.743 -18.350 5.268 1.00 73.13 C ATOM 516 O PHE A 32 6.539 -18.238 5.499 1.00 30.25 O ATOM 517 CB PHE A 32 8.315 -18.421 2.834 1.00 2.44 C ATOM 518 CG PHE A 32 9.690 -18.381 2.229 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.136 -19.414 1.421 1.00 25.20 C ATOM 520 CD2 PHE A 32 10.535 -17.310 2.468 1.00 34.32 C ATOM 521 CE1 PHE A 32 11.400 -19.380 0.862 1.00 15.23 C ATOM 522 CE2 PHE A 32 11.800 -17.270 1.912 1.00 31.04 C ATOM 523 CZ PHE A 32 12.233 -18.307 1.109 1.00 34.24 C ATOM 0 H PHE A 32 6.405 -20.163 3.730 1.00 21.34 H new ATOM 0 HA PHE A 32 9.239 -19.595 4.380 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.620 -18.844 2.109 1.00 2.44 H new ATOM 0 HB3 PHE A 32 7.985 -17.402 3.035 1.00 2.44 H new ATOM 0 HD1 PHE A 32 9.489 -20.256 1.225 1.00 25.20 H new ATOM 0 HD2 PHE A 32 10.202 -16.497 3.096 1.00 34.32 H new ATOM 0 HE1 PHE A 32 11.735 -20.191 0.233 1.00 15.23 H new ATOM 0 HE2 PHE A 32 12.449 -16.429 2.105 1.00 31.04 H new ATOM 0 HZ PHE A 32 13.222 -18.279 0.675 1.00 34.24 H new ATOM 533 N ARG A 33 8.677 -17.726 5.977 1.00 2.52 N ATOM 534 CA ARG A 33 8.334 -16.854 7.094 1.00 14.43 C ATOM 535 C ARG A 33 9.016 -15.497 6.954 1.00 75.14 C ATOM 536 O ARG A 33 10.230 -15.418 6.767 1.00 61.42 O ATOM 537 CB ARG A 33 8.737 -17.504 8.418 1.00 2.14 C ATOM 538 CG ARG A 33 7.596 -18.233 9.111 1.00 20.25 C ATOM 539 CD ARG A 33 8.000 -18.709 10.498 1.00 10.22 C ATOM 540 NE ARG A 33 6.887 -18.656 11.441 1.00 11.44 N ATOM 541 CZ ARG A 33 6.949 -19.131 12.680 1.00 10.32 C ATOM 542 NH1 ARG A 33 8.066 -19.693 13.123 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 5.893 -19.046 13.478 1.00 25.32 N ATOM 0 H ARG A 33 9.678 -17.808 5.798 1.00 2.52 H new ATOM 0 HA ARG A 33 7.255 -16.702 7.085 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.549 -18.208 8.235 1.00 2.14 H new ATOM 0 HB3 ARG A 33 9.126 -16.736 9.087 1.00 2.14 H new ATOM 0 HG2 ARG A 33 6.734 -17.571 9.189 1.00 20.25 H new ATOM 0 HG3 ARG A 33 7.288 -19.087 8.507 1.00 20.25 H new ATOM 0 HD2 ARG A 33 8.374 -19.731 10.436 1.00 10.22 H new ATOM 0 HD3 ARG A 33 8.819 -18.092 10.869 1.00 10.22 H new ATOM 0 HE ARG A 33 6.013 -18.231 11.131 1.00 11.44 H new ATOM 0 HH11 ARG A 33 8.880 -19.761 12.512 1.00 23.32 H new ATOM 0 HH12 ARG A 33 8.111 -20.057 14.075 1.00 23.32 H new ATOM 0 HH21 ARG A 33 5.032 -18.616 13.141 1.00 25.32 H new ATOM 0 HH22 ARG A 33 5.942 -19.411 14.429 1.00 25.32 H new ATOM 557 N ILE A 34 8.226 -14.432 7.044 1.00 62.22 N ATOM 558 CA ILE A 34 8.754 -13.078 6.928 1.00 24.14 C ATOM 559 C ILE A 34 8.567 -12.301 8.228 1.00 22.22 C ATOM 560 O ILE A 34 7.489 -11.768 8.496 1.00 15.22 O ATOM 561 CB ILE A 34 8.076 -12.306 5.780 1.00 45.40 C ATOM 562 CG1 ILE A 34 8.225 -13.073 4.464 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.670 -10.911 5.657 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.662 -13.368 4.095 1.00 0.34 C ATOM 0 H ILE A 34 7.219 -14.481 7.197 1.00 62.22 H new ATOM 0 HA ILE A 34 9.819 -13.172 6.714 1.00 24.14 H new ATOM 0 HB ILE A 34 7.014 -12.208 6.004 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.677 -14.012 4.537 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.764 -12.496 3.662 1.00 40.21 H new ATOM 0 HG21 ILE A 34 8.181 -10.378 4.842 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.518 -10.367 6.589 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.738 -10.987 5.452 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.691 -13.913 3.152 1.00 0.34 H new ATOM 0 HD12 ILE A 34 10.210 -12.432 3.990 1.00 0.34 H new ATOM 0 HD13 ILE A 34 10.122 -13.972 4.877 1.00 0.34 H new ATOM 576 N THR A 35 9.624 -12.240 9.032 1.00 73.35 N ATOM 577 CA THR A 35 9.577 -11.528 10.302 1.00 10.14 C ATOM 578 C THR A 35 9.814 -10.036 10.106 1.00 21.43 C ATOM 579 O THR A 35 10.659 -9.633 9.307 1.00 61.13 O ATOM 580 CB THR A 35 10.622 -12.076 11.292 1.00 42.42 C ATOM 581 OG1 THR A 35 11.816 -12.443 10.590 1.00 61.24 O ATOM 582 CG2 THR A 35 10.078 -13.283 12.041 1.00 21.42 C ATOM 0 H THR A 35 10.523 -12.675 8.826 1.00 73.35 H new ATOM 0 HA THR A 35 8.580 -11.683 10.714 1.00 10.14 H new ATOM 0 HB THR A 35 10.851 -11.293 12.015 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.476 -12.789 11.226 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.834 -13.652 12.734 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.186 -12.994 12.597 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.824 -14.069 11.329 1.00 21.42 H new ATOM 590 N GLN A 36 9.063 -9.220 10.839 1.00 63.41 N ATOM 591 CA GLN A 36 9.193 -7.771 10.744 1.00 14.20 C ATOM 592 C GLN A 36 8.818 -7.103 12.063 1.00 45.14 C ATOM 593 O GLN A 36 7.641 -7.002 12.407 1.00 5.11 O ATOM 594 CB GLN A 36 8.311 -7.232 9.617 1.00 55.11 C ATOM 595 CG GLN A 36 8.475 -7.980 8.304 1.00 62.44 C ATOM 596 CD GLN A 36 7.810 -7.271 7.141 1.00 40.34 C ATOM 597 OE1 GLN A 36 8.367 -7.193 6.047 1.00 43.51 O ATOM 598 NE2 GLN A 36 6.611 -6.751 7.372 1.00 20.34 N ATOM 0 H GLN A 36 8.359 -9.538 11.505 1.00 63.41 H new ATOM 0 HA GLN A 36 10.235 -7.538 10.524 1.00 14.20 H new ATOM 0 HB2 GLN A 36 7.267 -7.284 9.927 1.00 55.11 H new ATOM 0 HB3 GLN A 36 8.544 -6.179 9.457 1.00 55.11 H new ATOM 0 HG2 GLN A 36 9.537 -8.103 8.090 1.00 62.44 H new ATOM 0 HG3 GLN A 36 8.052 -8.980 8.405 1.00 62.44 H new ATOM 0 HE21 GLN A 36 6.186 -6.839 8.295 1.00 20.34 H new ATOM 0 HE22 GLN A 36 6.114 -6.263 6.626 1.00 20.34 H new ATOM 607 N GLY A 37 9.828 -6.649 12.799 1.00 64.45 N ATOM 608 CA GLY A 37 9.584 -5.997 14.072 1.00 34.24 C ATOM 609 C GLY A 37 9.911 -6.890 15.253 1.00 24.32 C ATOM 610 O GLY A 37 9.572 -6.573 16.392 1.00 10.20 O ATOM 0 H GLY A 37 10.811 -6.721 12.536 1.00 64.45 H new ATOM 0 HA2 GLY A 37 10.182 -5.088 14.131 1.00 34.24 H new ATOM 0 HA3 GLY A 37 8.538 -5.695 14.127 1.00 34.24 H new ATOM 614 N GLY A 38 10.573 -8.010 14.980 1.00 74.12 N ATOM 615 CA GLY A 38 10.934 -8.935 16.038 1.00 13.31 C ATOM 616 C GLY A 38 10.061 -10.175 16.047 1.00 0.22 C ATOM 617 O GLY A 38 10.385 -11.167 16.701 1.00 3.34 O ATOM 0 H GLY A 38 10.866 -8.293 14.045 1.00 74.12 H new ATOM 0 HA2 GLY A 38 11.977 -9.229 15.919 1.00 13.31 H new ATOM 0 HA3 GLY A 38 10.853 -8.430 17.001 1.00 13.31 H new ATOM 621 N LYS A 39 8.950 -10.120 15.320 1.00 34.44 N ATOM 622 CA LYS A 39 8.027 -11.247 15.246 1.00 44.41 C ATOM 623 C LYS A 39 7.513 -11.435 13.823 1.00 41.22 C ATOM 624 O LYS A 39 7.584 -10.523 13.000 1.00 21.13 O ATOM 625 CB LYS A 39 6.851 -11.033 16.202 1.00 12.35 C ATOM 626 CG LYS A 39 6.449 -12.285 16.961 1.00 61.01 C ATOM 627 CD LYS A 39 5.529 -11.960 18.125 1.00 62.52 C ATOM 628 CE LYS A 39 6.299 -11.847 19.432 1.00 2.21 C ATOM 629 NZ LYS A 39 5.668 -10.874 20.365 1.00 31.32 N1+ ATOM 0 H LYS A 39 8.667 -9.307 14.773 1.00 34.44 H new ATOM 0 HA LYS A 39 8.566 -12.147 15.540 1.00 44.41 H new ATOM 0 HB2 LYS A 39 7.112 -10.253 16.917 1.00 12.35 H new ATOM 0 HB3 LYS A 39 5.994 -10.671 15.635 1.00 12.35 H new ATOM 0 HG2 LYS A 39 5.949 -12.978 16.284 1.00 61.01 H new ATOM 0 HG3 LYS A 39 7.342 -12.789 17.331 1.00 61.01 H new ATOM 0 HD2 LYS A 39 5.008 -11.024 17.927 1.00 62.52 H new ATOM 0 HD3 LYS A 39 4.768 -12.735 18.216 1.00 62.52 H new ATOM 0 HE2 LYS A 39 6.351 -12.826 19.909 1.00 2.21 H new ATOM 0 HE3 LYS A 39 7.324 -11.539 19.224 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 6.222 -10.826 21.244 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 5.641 -9.934 19.921 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 4.699 -11.181 20.584 1.00 31.32 H new ATOM 643 N VAL A 40 6.992 -12.625 13.539 1.00 13.33 N ATOM 644 CA VAL A 40 6.463 -12.932 12.216 1.00 41.44 C ATOM 645 C VAL A 40 5.353 -11.960 11.829 1.00 63.31 C ATOM 646 O VAL A 40 4.402 -11.754 12.584 1.00 63.13 O ATOM 647 CB VAL A 40 5.915 -14.371 12.151 1.00 45.24 C ATOM 648 CG1 VAL A 40 4.797 -14.564 13.163 1.00 55.31 C ATOM 649 CG2 VAL A 40 5.433 -14.693 10.745 1.00 51.40 C ATOM 0 H VAL A 40 6.925 -13.392 14.208 1.00 13.33 H new ATOM 0 HA VAL A 40 7.290 -12.833 11.513 1.00 41.44 H new ATOM 0 HB VAL A 40 6.722 -15.060 12.402 1.00 45.24 H new ATOM 0 HG11 VAL A 40 4.423 -15.586 13.102 1.00 55.31 H new ATOM 0 HG12 VAL A 40 5.178 -14.377 14.167 1.00 55.31 H new ATOM 0 HG13 VAL A 40 3.987 -13.868 12.947 1.00 55.31 H new ATOM 0 HG21 VAL A 40 5.049 -15.713 10.717 1.00 51.40 H new ATOM 0 HG22 VAL A 40 4.641 -13.999 10.464 1.00 51.40 H new ATOM 0 HG23 VAL A 40 6.263 -14.598 10.045 1.00 51.40 H new ATOM 659 N VAL A 41 5.481 -11.366 10.647 1.00 34.35 N ATOM 660 CA VAL A 41 4.488 -10.417 10.158 1.00 44.34 C ATOM 661 C VAL A 41 3.459 -11.106 9.270 1.00 12.15 C ATOM 662 O VAL A 41 2.312 -10.669 9.174 1.00 4.11 O ATOM 663 CB VAL A 41 5.148 -9.273 9.367 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.401 -9.694 7.927 1.00 40.14 C ATOM 665 CG2 VAL A 41 4.285 -8.021 9.420 1.00 22.42 C ATOM 0 H VAL A 41 6.262 -11.525 10.011 1.00 34.35 H new ATOM 0 HA VAL A 41 3.988 -10.003 11.034 1.00 44.34 H new ATOM 0 HB VAL A 41 6.109 -9.045 9.828 1.00 3.41 H new ATOM 0 HG11 VAL A 41 5.868 -8.872 7.384 1.00 40.14 H new ATOM 0 HG12 VAL A 41 6.062 -10.561 7.912 1.00 40.14 H new ATOM 0 HG13 VAL A 41 4.455 -9.951 7.452 1.00 40.14 H new ATOM 0 HG21 VAL A 41 4.767 -7.223 8.856 1.00 22.42 H new ATOM 0 HG22 VAL A 41 3.308 -8.234 8.986 1.00 22.42 H new ATOM 0 HG23 VAL A 41 4.161 -7.708 10.457 1.00 22.42 H new ATOM 675 N LYS A 42 3.875 -12.189 8.622 1.00 42.43 N ATOM 676 CA LYS A 42 2.990 -12.942 7.742 1.00 33.55 C ATOM 677 C LYS A 42 3.682 -14.197 7.218 1.00 43.41 C ATOM 678 O LYS A 42 4.907 -14.243 7.114 1.00 1.03 O ATOM 679 CB LYS A 42 2.538 -12.069 6.569 1.00 52.12 C ATOM 680 CG LYS A 42 1.046 -12.145 6.293 1.00 64.32 C ATOM 681 CD LYS A 42 0.416 -10.763 6.247 1.00 52.31 C ATOM 682 CE LYS A 42 -0.232 -10.402 7.575 1.00 23.22 C ATOM 683 NZ LYS A 42 -1.511 -9.665 7.385 1.00 13.02 N1+ ATOM 0 H LYS A 42 4.821 -12.565 8.690 1.00 42.43 H new ATOM 0 HA LYS A 42 2.116 -13.244 8.320 1.00 33.55 H new ATOM 0 HB2 LYS A 42 2.809 -11.033 6.773 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.080 -12.370 5.673 1.00 52.12 H new ATOM 0 HG2 LYS A 42 0.876 -12.655 5.345 1.00 64.32 H new ATOM 0 HG3 LYS A 42 0.562 -12.741 7.067 1.00 64.32 H new ATOM 0 HD2 LYS A 42 1.177 -10.023 5.999 1.00 52.31 H new ATOM 0 HD3 LYS A 42 -0.332 -10.729 5.455 1.00 52.31 H new ATOM 0 HE2 LYS A 42 -0.418 -11.311 8.147 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.455 -9.792 8.161 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.921 -9.437 8.313 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -1.330 -8.785 6.861 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -2.176 -10.257 6.848 1.00 13.02 H new ATOM 697 N ASN A 43 2.889 -15.211 6.887 1.00 34.54 N ATOM 698 CA ASN A 43 3.426 -16.465 6.372 1.00 55.25 C ATOM 699 C ASN A 43 3.407 -16.479 4.846 1.00 40.53 C ATOM 700 O ASN A 43 2.645 -15.743 4.218 1.00 31.40 O ATOM 701 CB ASN A 43 2.623 -17.648 6.915 1.00 53.41 C ATOM 702 CG ASN A 43 1.175 -17.288 7.188 1.00 44.33 C ATOM 703 OD1 ASN A 43 0.333 -17.330 6.290 1.00 24.42 O ATOM 704 ND2 ASN A 43 0.879 -16.931 8.432 1.00 72.11 N ATOM 0 H ASN A 43 1.872 -15.189 6.966 1.00 34.54 H new ATOM 0 HA ASN A 43 4.460 -16.553 6.705 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.662 -18.469 6.199 1.00 53.41 H new ATOM 0 HB3 ASN A 43 3.085 -18.006 7.835 1.00 53.41 H new ATOM 0 HD21 ASN A 43 -0.078 -16.677 8.676 1.00 72.11 H new ATOM 0 HD22 ASN A 43 1.609 -16.910 9.144 1.00 72.11 H new ATOM 711 N TRP A 44 4.248 -17.323 4.259 1.00 22.12 N ATOM 712 CA TRP A 44 4.328 -17.433 2.806 1.00 23.21 C ATOM 713 C TRP A 44 4.330 -18.895 2.371 1.00 15.33 C ATOM 714 O TRP A 44 4.878 -19.756 3.059 1.00 44.21 O ATOM 715 CB TRP A 44 5.585 -16.733 2.288 1.00 45.14 C ATOM 716 CG TRP A 44 5.294 -15.476 1.526 1.00 71.55 C ATOM 717 CD1 TRP A 44 5.222 -15.338 0.169 1.00 73.33 C ATOM 718 CD2 TRP A 44 5.038 -14.179 2.077 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.936 -14.034 -0.157 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.817 -13.304 0.995 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.970 -13.673 3.377 1.00 55.22 C ATOM 722 CZ2 TRP A 44 4.537 -11.953 1.178 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.692 -12.332 3.557 1.00 62.30 C ATOM 724 CH2 TRP A 44 4.477 -11.483 2.462 1.00 1.02 C ATOM 0 H TRP A 44 4.883 -17.940 4.765 1.00 22.12 H new ATOM 0 HA TRP A 44 3.450 -16.947 2.381 1.00 23.21 H new ATOM 0 HB2 TRP A 44 6.234 -16.496 3.131 1.00 45.14 H new ATOM 0 HB3 TRP A 44 6.136 -17.420 1.645 1.00 45.14 H new ATOM 0 HD1 TRP A 44 5.368 -16.137 -0.543 1.00 73.33 H new ATOM 0 HE1 TRP A 44 4.830 -13.669 -1.104 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.132 -14.319 4.227 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 4.373 -11.298 0.335 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.639 -11.931 4.558 1.00 62.30 H new ATOM 0 HH2 TRP A 44 4.260 -10.439 2.635 1.00 1.02 H new ATOM 735 N VAL A 45 3.712 -19.167 1.226 1.00 5.25 N ATOM 736 CA VAL A 45 3.644 -20.525 0.699 1.00 60.54 C ATOM 737 C VAL A 45 4.094 -20.573 -0.757 1.00 5.42 C ATOM 738 O VAL A 45 3.750 -19.700 -1.552 1.00 33.13 O ATOM 739 CB VAL A 45 2.217 -21.096 0.803 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.074 -22.337 -0.067 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.874 -21.408 2.251 1.00 33.43 C ATOM 0 H VAL A 45 3.252 -18.466 0.646 1.00 5.25 H new ATOM 0 HA VAL A 45 4.316 -21.133 1.304 1.00 60.54 H new ATOM 0 HB VAL A 45 1.515 -20.345 0.441 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.060 -22.727 0.019 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.276 -22.078 -1.106 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.783 -23.096 0.263 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.863 -21.810 2.307 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.579 -22.142 2.642 1.00 33.43 H new ATOM 0 HG23 VAL A 45 1.935 -20.495 2.844 1.00 33.43 H new ATOM 751 N MET A 46 4.867 -21.599 -1.098 1.00 62.23 N ATOM 752 CA MET A 46 5.363 -21.762 -2.460 1.00 35.14 C ATOM 753 C MET A 46 4.521 -22.775 -3.228 1.00 72.04 C ATOM 754 O MET A 46 4.702 -23.984 -3.083 1.00 51.41 O ATOM 755 CB MET A 46 6.827 -22.206 -2.442 1.00 33.01 C ATOM 756 CG MET A 46 7.797 -21.122 -2.879 1.00 43.13 C ATOM 757 SD MET A 46 8.797 -20.493 -1.516 1.00 65.24 S ATOM 758 CE MET A 46 10.397 -20.350 -2.308 1.00 25.52 C ATOM 0 H MET A 46 5.163 -22.329 -0.451 1.00 62.23 H new ATOM 0 HA MET A 46 5.289 -20.799 -2.965 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.087 -22.530 -1.434 1.00 33.01 H new ATOM 0 HB3 MET A 46 6.944 -23.071 -3.095 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.454 -21.518 -3.653 1.00 43.13 H new ATOM 0 HG3 MET A 46 7.239 -20.299 -3.325 1.00 43.13 H new ATOM 0 HE1 MET A 46 11.105 -21.020 -1.821 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.307 -20.619 -3.360 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.754 -19.323 -2.225 1.00 25.52 H new ATOM 768 N ASP A 47 3.601 -22.274 -4.045 1.00 71.12 N ATOM 769 CA ASP A 47 2.731 -23.136 -4.837 1.00 32.40 C ATOM 770 C ASP A 47 3.437 -23.602 -6.106 1.00 53.15 C ATOM 771 O ASP A 47 3.431 -22.907 -7.123 1.00 2.25 O ATOM 772 CB ASP A 47 1.439 -22.400 -5.198 1.00 13.44 C ATOM 773 CG ASP A 47 0.207 -23.257 -4.990 1.00 55.42 C ATOM 774 OD1 ASP A 47 -0.267 -23.348 -3.837 1.00 72.40 O ATOM 775 OD2 ASP A 47 -0.285 -23.839 -5.979 1.00 11.32 O1- ATOM 0 H ASP A 47 3.438 -21.276 -4.176 1.00 71.12 H new ATOM 0 HA ASP A 47 2.485 -24.012 -4.237 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.357 -21.498 -4.592 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.485 -22.081 -6.239 1.00 13.44 H new ATOM 780 N LEU A 48 4.045 -24.781 -6.040 1.00 3.45 N ATOM 781 CA LEU A 48 4.758 -25.341 -7.184 1.00 34.13 C ATOM 782 C LEU A 48 3.798 -26.065 -8.121 1.00 74.54 C ATOM 783 O LEU A 48 4.197 -26.556 -9.177 1.00 65.54 O ATOM 784 CB LEU A 48 5.849 -26.301 -6.709 1.00 41.41 C ATOM 785 CG LEU A 48 7.103 -25.656 -6.117 1.00 71.10 C ATOM 786 CD1 LEU A 48 7.792 -26.611 -5.154 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.057 -25.231 -7.224 1.00 24.33 C ATOM 0 H LEU A 48 4.059 -25.368 -5.206 1.00 3.45 H new ATOM 0 HA LEU A 48 5.220 -24.520 -7.732 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.419 -26.965 -5.960 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.149 -26.923 -7.552 1.00 41.41 H new ATOM 0 HG LEU A 48 6.803 -24.767 -5.562 1.00 71.10 H new ATOM 0 HD11 LEU A 48 8.682 -26.134 -4.743 1.00 72.14 H new ATOM 0 HD12 LEU A 48 7.109 -26.865 -4.343 1.00 72.14 H new ATOM 0 HD13 LEU A 48 8.079 -27.519 -5.685 1.00 72.14 H new ATOM 0 HD21 LEU A 48 8.944 -24.774 -6.785 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.350 -26.104 -7.807 1.00 24.33 H new ATOM 0 HD23 LEU A 48 7.562 -24.510 -7.874 1.00 24.33 H new ATOM 799 N LYS A 49 2.530 -26.126 -7.730 1.00 53.41 N ATOM 800 CA LYS A 49 1.511 -26.787 -8.536 1.00 44.45 C ATOM 801 C LYS A 49 0.943 -25.834 -9.583 1.00 13.33 C ATOM 802 O LYS A 49 0.955 -26.131 -10.778 1.00 1.23 O ATOM 803 CB LYS A 49 0.383 -27.309 -7.643 1.00 43.22 C ATOM 804 CG LYS A 49 0.530 -28.776 -7.273 1.00 30.32 C ATOM 805 CD LYS A 49 -0.504 -29.197 -6.243 1.00 53.45 C ATOM 806 CE LYS A 49 -0.413 -30.684 -5.939 1.00 64.21 C ATOM 807 NZ LYS A 49 0.605 -30.976 -4.892 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.183 -25.725 -6.859 1.00 53.41 H new ATOM 0 HA LYS A 49 1.979 -27.627 -9.049 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.349 -26.714 -6.730 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.569 -27.165 -8.153 1.00 43.22 H new ATOM 0 HG2 LYS A 49 0.425 -29.390 -8.167 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.531 -28.954 -6.879 1.00 30.32 H new ATOM 0 HD2 LYS A 49 -0.358 -28.627 -5.325 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -1.503 -28.960 -6.610 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -1.387 -31.047 -5.610 1.00 64.21 H new ATOM 0 HE3 LYS A 49 -0.162 -31.226 -6.851 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 0.636 -32.000 -4.714 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 1.539 -30.653 -5.216 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 0.352 -30.479 -4.014 1.00 62.40 H new ATOM 821 N ASN A 50 0.449 -24.688 -9.128 1.00 2.35 N ATOM 822 CA ASN A 50 -0.123 -23.691 -10.027 1.00 41.40 C ATOM 823 C ASN A 50 0.954 -22.738 -10.537 1.00 40.41 C ATOM 824 O ASN A 50 0.695 -21.895 -11.396 1.00 2.41 O ATOM 825 CB ASN A 50 -1.222 -22.901 -9.313 1.00 14.33 C ATOM 826 CG ASN A 50 -2.206 -22.276 -10.283 1.00 4.31 C ATOM 827 OD1 ASN A 50 -1.894 -21.291 -10.953 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.403 -22.845 -10.361 1.00 4.23 N ATOM 0 H ASN A 50 0.433 -24.426 -8.142 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.556 -24.213 -10.880 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -1.757 -23.562 -8.632 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.767 -22.118 -8.706 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.107 -22.467 -10.995 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -3.619 -23.660 -9.787 1.00 4.23 H new ATOM 835 N VAL A 51 2.163 -22.880 -10.003 1.00 64.11 N ATOM 836 CA VAL A 51 3.280 -22.034 -10.405 1.00 54.52 C ATOM 837 C VAL A 51 3.100 -20.608 -9.896 1.00 42.10 C ATOM 838 O VAL A 51 3.231 -19.645 -10.653 1.00 10.33 O ATOM 839 CB VAL A 51 3.439 -22.004 -11.937 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.790 -21.422 -12.323 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.264 -23.400 -12.517 1.00 50.43 C ATOM 0 H VAL A 51 2.394 -23.573 -9.291 1.00 64.11 H new ATOM 0 HA VAL A 51 4.178 -22.464 -9.962 1.00 54.52 H new ATOM 0 HB VAL A 51 2.663 -21.362 -12.353 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.884 -21.409 -13.409 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.871 -20.405 -11.940 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.585 -22.034 -11.897 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.379 -23.361 -13.600 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.017 -24.066 -12.096 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.270 -23.774 -12.271 1.00 50.43 H new ATOM 851 N LYS A 52 2.801 -20.479 -8.608 1.00 54.43 N ATOM 852 CA LYS A 52 2.605 -19.171 -7.994 1.00 32.42 C ATOM 853 C LYS A 52 3.036 -19.186 -6.532 1.00 50.21 C ATOM 854 O LYS A 52 3.195 -20.249 -5.931 1.00 11.15 O ATOM 855 CB LYS A 52 1.137 -18.749 -8.101 1.00 21.22 C ATOM 856 CG LYS A 52 0.946 -17.257 -8.304 1.00 10.13 C ATOM 857 CD LYS A 52 -0.303 -16.961 -9.118 1.00 32.21 C ATOM 858 CE LYS A 52 -1.565 -17.357 -8.366 1.00 73.31 C ATOM 859 NZ LYS A 52 -2.533 -18.070 -9.244 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.689 -21.265 -7.968 1.00 54.43 H new ATOM 0 HA LYS A 52 3.223 -18.450 -8.529 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.674 -19.282 -8.931 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.613 -19.054 -7.195 1.00 21.22 H new ATOM 0 HG2 LYS A 52 0.876 -16.763 -7.335 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.818 -16.843 -8.810 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -0.339 -15.898 -9.357 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -0.258 -17.500 -10.065 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -1.300 -17.996 -7.523 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -2.037 -16.465 -7.954 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -3.379 -18.323 -8.695 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -2.805 -17.452 -10.034 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -2.092 -18.935 -9.617 1.00 35.03 H new ATOM 873 N LEU A 53 3.223 -18.000 -5.963 1.00 61.23 N ATOM 874 CA LEU A 53 3.634 -17.876 -4.569 1.00 12.34 C ATOM 875 C LEU A 53 2.607 -17.084 -3.766 1.00 64.35 C ATOM 876 O LEU A 53 2.572 -15.855 -3.823 1.00 64.45 O ATOM 877 CB LEU A 53 5.002 -17.197 -4.479 1.00 22.14 C ATOM 878 CG LEU A 53 6.191 -18.116 -4.196 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.516 -18.960 -5.417 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.404 -17.303 -3.767 1.00 42.33 C ATOM 0 H LEU A 53 3.096 -17.110 -6.446 1.00 61.23 H new ATOM 0 HA LEU A 53 3.703 -18.878 -4.146 1.00 12.34 H new ATOM 0 HB2 LEU A 53 5.188 -16.674 -5.417 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.959 -16.440 -3.696 1.00 22.14 H new ATOM 0 HG LEU A 53 5.921 -18.786 -3.379 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.365 -19.607 -5.196 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.652 -19.571 -5.678 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.765 -18.308 -6.254 1.00 71.22 H new ATOM 0 HD21 LEU A 53 8.240 -17.974 -3.570 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.676 -16.608 -4.562 1.00 42.33 H new ATOM 0 HD23 LEU A 53 7.166 -16.744 -2.862 1.00 42.33 H new ATOM 892 N VAL A 54 1.773 -17.798 -3.016 1.00 5.45 N ATOM 893 CA VAL A 54 0.747 -17.163 -2.199 1.00 41.23 C ATOM 894 C VAL A 54 1.210 -17.012 -0.754 1.00 45.12 C ATOM 895 O VAL A 54 2.290 -17.473 -0.388 1.00 72.40 O ATOM 896 CB VAL A 54 -0.568 -17.966 -2.223 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.928 -18.357 -3.649 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.457 -19.197 -1.336 1.00 11.01 C ATOM 0 H VAL A 54 1.788 -18.816 -2.958 1.00 5.45 H new ATOM 0 HA VAL A 54 0.569 -16.176 -2.626 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.366 -17.335 -1.831 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.859 -18.923 -3.647 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -1.052 -17.458 -4.253 1.00 71.10 H new ATOM 0 HG13 VAL A 54 -0.131 -18.970 -4.070 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.395 -19.752 -1.365 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.352 -19.833 -1.695 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.249 -18.889 -0.311 1.00 11.01 H new ATOM 908 N GLU A 55 0.384 -16.364 0.062 1.00 21.23 N ATOM 909 CA GLU A 55 0.711 -16.153 1.467 1.00 34.21 C ATOM 910 C GLU A 55 -0.183 -17.002 2.367 1.00 31.12 C ATOM 911 O GLU A 55 -1.391 -16.784 2.443 1.00 24.40 O ATOM 912 CB GLU A 55 0.562 -14.674 1.832 1.00 60.31 C ATOM 913 CG GLU A 55 -0.712 -14.041 1.297 1.00 21.34 C ATOM 914 CD GLU A 55 -0.575 -13.580 -0.142 1.00 40.15 C ATOM 915 OE1 GLU A 55 0.381 -12.830 -0.435 1.00 15.53 O ATOM 916 OE2 GLU A 55 -1.421 -13.968 -0.972 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.515 -15.977 -0.225 1.00 21.23 H new ATOM 0 HA GLU A 55 1.747 -16.456 1.622 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.580 -14.572 2.917 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.421 -14.125 1.446 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.528 -14.760 1.368 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -0.981 -13.190 1.923 1.00 21.34 H new ATOM 923 N SER A 56 0.422 -17.971 3.047 1.00 73.41 N ATOM 924 CA SER A 56 -0.318 -18.856 3.938 1.00 43.24 C ATOM 925 C SER A 56 0.635 -19.675 4.804 1.00 1.33 C ATOM 926 O SER A 56 1.832 -19.751 4.530 1.00 11.10 O ATOM 927 CB SER A 56 -1.220 -19.791 3.129 1.00 44.34 C ATOM 928 OG SER A 56 -2.562 -19.336 3.136 1.00 12.25 O ATOM 0 H SER A 56 1.423 -18.163 2.998 1.00 73.41 H new ATOM 0 HA SER A 56 -0.937 -18.240 4.590 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.859 -19.852 2.102 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.172 -20.798 3.544 1.00 44.34 H new ATOM 0 HG SER A 56 -2.586 -18.385 2.902 1.00 12.25 H new ATOM 934 N ASP A 57 0.093 -20.285 5.854 1.00 31.32 N ATOM 935 CA ASP A 57 0.893 -21.099 6.761 1.00 71.22 C ATOM 936 C ASP A 57 0.353 -22.524 6.832 1.00 51.13 C ATOM 937 O ASP A 57 -0.774 -22.751 7.273 1.00 50.20 O ATOM 938 CB ASP A 57 0.908 -20.477 8.158 1.00 63.23 C ATOM 939 CG ASP A 57 -0.454 -19.960 8.578 1.00 3.54 C ATOM 940 OD1 ASP A 57 -0.910 -18.952 8.000 1.00 34.13 O ATOM 941 OD2 ASP A 57 -1.064 -20.567 9.483 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.896 -20.231 6.097 1.00 31.32 H new ATOM 0 HA ASP A 57 1.912 -21.134 6.375 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.249 -21.220 8.879 1.00 63.23 H new ATOM 0 HB3 ASP A 57 1.627 -19.658 8.180 1.00 63.23 H new ATOM 946 N ASP A 58 1.164 -23.480 6.393 1.00 42.15 N ATOM 947 CA ASP A 58 0.769 -24.884 6.407 1.00 13.22 C ATOM 948 C ASP A 58 1.993 -25.793 6.451 1.00 50.02 C ATOM 949 O ASP A 58 3.117 -25.348 6.219 1.00 32.03 O ATOM 950 CB ASP A 58 -0.079 -25.209 5.177 1.00 32.33 C ATOM 951 CG ASP A 58 -0.998 -24.067 4.789 1.00 34.24 C ATOM 952 OD1 ASP A 58 -0.535 -23.141 4.092 1.00 62.33 O ATOM 953 OD2 ASP A 58 -2.183 -24.100 5.184 1.00 21.22 O1- ATOM 0 H ASP A 58 2.099 -23.309 6.023 1.00 42.15 H new ATOM 0 HA ASP A 58 0.176 -25.060 7.305 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.577 -25.444 4.339 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.675 -26.100 5.375 1.00 32.33 H new ATOM 958 N ALA A 59 1.767 -27.067 6.749 1.00 54.42 N ATOM 959 CA ALA A 59 2.851 -28.039 6.823 1.00 64.04 C ATOM 960 C ALA A 59 3.735 -27.970 5.583 1.00 23.53 C ATOM 961 O ALA A 59 3.320 -27.464 4.540 1.00 64.14 O ATOM 962 CB ALA A 59 2.291 -29.444 6.995 1.00 20.01 C ATOM 0 H ALA A 59 0.842 -27.451 6.943 1.00 54.42 H new ATOM 0 HA ALA A 59 3.465 -27.795 7.690 1.00 64.04 H new ATOM 0 HB1 ALA A 59 3.112 -30.159 7.049 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.707 -29.493 7.914 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.653 -29.688 6.146 1.00 20.01 H new ATOM 968 N ALA A 60 4.956 -28.480 5.703 1.00 25.42 N ATOM 969 CA ALA A 60 5.899 -28.476 4.591 1.00 52.24 C ATOM 970 C ALA A 60 7.109 -29.354 4.894 1.00 52.10 C ATOM 971 O ALA A 60 7.611 -29.368 6.017 1.00 32.51 O ATOM 972 CB ALA A 60 6.341 -27.055 4.278 1.00 60.25 C ATOM 0 H ALA A 60 5.316 -28.901 6.559 1.00 25.42 H new ATOM 0 HA ALA A 60 5.394 -28.888 3.717 1.00 52.24 H new ATOM 0 HB1 ALA A 60 7.045 -27.068 3.446 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.472 -26.455 4.009 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.824 -26.623 5.155 1.00 60.25 H new ATOM 978 N GLU A 61 7.570 -30.085 3.885 1.00 12.15 N ATOM 979 CA GLU A 61 8.722 -30.967 4.045 1.00 60.24 C ATOM 980 C GLU A 61 9.980 -30.165 4.367 1.00 60.45 C ATOM 981 O GLU A 61 10.987 -30.721 4.803 1.00 34.32 O ATOM 982 CB GLU A 61 8.940 -31.793 2.776 1.00 40.01 C ATOM 983 CG GLU A 61 8.337 -33.186 2.846 1.00 60.43 C ATOM 984 CD GLU A 61 6.821 -33.166 2.859 1.00 63.55 C ATOM 985 OE1 GLU A 61 6.222 -32.889 1.799 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 6.235 -33.427 3.930 1.00 10.35 O ATOM 0 H GLU A 61 7.165 -30.085 2.949 1.00 12.15 H new ATOM 0 HA GLU A 61 8.519 -31.641 4.877 1.00 60.24 H new ATOM 0 HB2 GLU A 61 8.508 -31.261 1.928 1.00 40.01 H new ATOM 0 HB3 GLU A 61 10.010 -31.878 2.587 1.00 40.01 H new ATOM 0 HG2 GLU A 61 8.681 -33.770 1.993 1.00 60.43 H new ATOM 0 HG3 GLU A 61 8.698 -33.689 3.743 1.00 60.43 H new ATOM 993 N ALA A 62 9.913 -28.857 4.147 1.00 4.02 N ATOM 994 CA ALA A 62 11.045 -27.979 4.414 1.00 60.23 C ATOM 995 C ALA A 62 10.576 -26.601 4.870 1.00 52.32 C ATOM 996 O ALA A 62 9.803 -25.937 4.180 1.00 12.21 O ATOM 997 CB ALA A 62 11.923 -27.857 3.177 1.00 14.02 C ATOM 0 H ALA A 62 9.087 -28.382 3.784 1.00 4.02 H new ATOM 0 HA ALA A 62 11.632 -28.420 5.220 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.764 -27.198 3.392 1.00 14.02 H new ATOM 0 HB2 ALA A 62 12.296 -28.842 2.897 1.00 14.02 H new ATOM 0 HB3 ALA A 62 11.338 -27.443 2.355 1.00 14.02 H new ATOM 1003 N THR A 63 11.049 -26.178 6.038 1.00 64.23 N ATOM 1004 CA THR A 63 10.676 -24.880 6.587 1.00 11.41 C ATOM 1005 C THR A 63 11.767 -23.844 6.339 1.00 73.24 C ATOM 1006 O THR A 63 12.938 -24.075 6.640 1.00 53.04 O ATOM 1007 CB THR A 63 10.405 -24.968 8.101 1.00 31.34 C ATOM 1008 OG1 THR A 63 9.237 -25.762 8.344 1.00 62.11 O ATOM 1009 CG2 THR A 63 10.214 -23.582 8.699 1.00 45.10 C ATOM 0 H THR A 63 11.691 -26.715 6.622 1.00 64.23 H new ATOM 0 HA THR A 63 9.763 -24.572 6.078 1.00 11.41 H new ATOM 0 HB THR A 63 11.268 -25.435 8.575 1.00 31.34 H new ATOM 0 HG1 THR A 63 9.072 -25.815 9.309 1.00 62.11 H new ATOM 0 HG21 THR A 63 10.024 -23.670 9.769 1.00 45.10 H new ATOM 0 HG22 THR A 63 11.114 -22.989 8.538 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.367 -23.092 8.219 1.00 45.10 H new ATOM 1017 N LEU A 64 11.375 -22.700 5.787 1.00 31.21 N ATOM 1018 CA LEU A 64 12.319 -21.628 5.498 1.00 23.22 C ATOM 1019 C LEU A 64 11.845 -20.308 6.097 1.00 10.31 C ATOM 1020 O LEU A 64 10.657 -19.983 6.051 1.00 34.35 O ATOM 1021 CB LEU A 64 12.504 -21.477 3.987 1.00 42.20 C ATOM 1022 CG LEU A 64 13.420 -22.502 3.317 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.651 -23.312 2.285 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.613 -21.811 2.672 1.00 33.52 C ATOM 0 H LEU A 64 10.410 -22.492 5.531 1.00 31.21 H new ATOM 0 HA LEU A 64 13.275 -21.889 5.951 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.524 -21.532 3.514 1.00 42.20 H new ATOM 0 HB3 LEU A 64 12.899 -20.481 3.787 1.00 42.20 H new ATOM 0 HG LEU A 64 13.790 -23.184 4.083 1.00 33.54 H new ATOM 0 HD11 LEU A 64 13.319 -24.036 1.819 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.830 -23.838 2.773 1.00 24.14 H new ATOM 0 HD13 LEU A 64 12.251 -22.644 1.522 1.00 24.14 H new ATOM 0 HD21 LEU A 64 15.254 -22.556 2.200 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.262 -21.106 1.919 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.179 -21.276 3.434 1.00 33.52 H new ATOM 1036 N THR A 65 12.780 -19.548 6.660 1.00 71.33 N ATOM 1037 CA THR A 65 12.457 -18.264 7.267 1.00 73.12 C ATOM 1038 C THR A 65 13.505 -17.212 6.919 1.00 14.11 C ATOM 1039 O THR A 65 14.706 -17.480 6.965 1.00 44.01 O ATOM 1040 CB THR A 65 12.351 -18.378 8.800 1.00 74.44 C ATOM 1041 OG1 THR A 65 11.467 -17.371 9.306 1.00 70.01 O ATOM 1042 CG2 THR A 65 13.719 -18.233 9.449 1.00 42.34 C ATOM 0 H THR A 65 13.767 -19.801 6.708 1.00 71.33 H new ATOM 0 HA THR A 65 11.491 -17.958 6.865 1.00 73.12 H new ATOM 0 HB THR A 65 11.954 -19.364 9.043 1.00 74.44 H new ATOM 0 HG1 THR A 65 11.404 -17.451 10.281 1.00 70.01 H new ATOM 0 HG21 THR A 65 13.619 -18.317 10.531 1.00 42.34 H new ATOM 0 HG22 THR A 65 14.380 -19.019 9.084 1.00 42.34 H new ATOM 0 HG23 THR A 65 14.139 -17.259 9.198 1.00 42.34 H new ATOM 1050 N MET A 66 13.043 -16.016 6.571 1.00 44.23 N ATOM 1051 CA MET A 66 13.942 -14.924 6.216 1.00 35.33 C ATOM 1052 C MET A 66 13.259 -13.573 6.408 1.00 74.32 C ATOM 1053 O MET A 66 12.067 -13.429 6.143 1.00 1.23 O ATOM 1054 CB MET A 66 14.411 -15.070 4.768 1.00 73.33 C ATOM 1055 CG MET A 66 15.525 -16.088 4.590 1.00 31.14 C ATOM 1056 SD MET A 66 14.977 -17.572 3.723 1.00 74.11 S ATOM 1057 CE MET A 66 16.401 -17.903 2.687 1.00 64.32 C ATOM 0 H MET A 66 12.052 -15.778 6.527 1.00 44.23 H new ATOM 0 HA MET A 66 14.808 -14.971 6.877 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.563 -15.359 4.147 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.754 -14.101 4.406 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.345 -15.630 4.037 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.917 -16.367 5.568 1.00 31.14 H new ATOM 0 HE1 MET A 66 16.373 -18.939 2.351 1.00 64.32 H new ATOM 0 HE2 MET A 66 16.383 -17.240 1.822 1.00 64.32 H new ATOM 0 HE3 MET A 66 17.314 -17.731 3.257 1.00 64.32 H new ATOM 1067 N GLU A 67 14.023 -12.589 6.871 1.00 74.44 N ATOM 1068 CA GLU A 67 13.489 -11.251 7.099 1.00 65.21 C ATOM 1069 C GLU A 67 13.313 -10.504 5.780 1.00 21.25 C ATOM 1070 O GLU A 67 13.923 -10.853 4.770 1.00 71.54 O ATOM 1071 CB GLU A 67 14.414 -10.460 8.026 1.00 61.44 C ATOM 1072 CG GLU A 67 14.709 -11.166 9.339 1.00 20.41 C ATOM 1073 CD GLU A 67 15.896 -12.105 9.242 1.00 50.14 C ATOM 1074 OE1 GLU A 67 17.035 -11.647 9.468 1.00 14.41 O1- ATOM 1075 OE2 GLU A 67 15.685 -13.297 8.939 1.00 70.53 O ATOM 0 H GLU A 67 15.013 -12.693 7.095 1.00 74.44 H new ATOM 0 HA GLU A 67 12.512 -11.353 7.572 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.354 -10.266 7.509 1.00 61.44 H new ATOM 0 HB3 GLU A 67 13.961 -9.492 8.238 1.00 61.44 H new ATOM 0 HG2 GLU A 67 14.901 -10.422 10.112 1.00 20.41 H new ATOM 0 HG3 GLU A 67 13.829 -11.729 9.650 1.00 20.41 H new ATOM 1082 N ASP A 68 12.472 -9.475 5.798 1.00 21.12 N ATOM 1083 CA ASP A 68 12.215 -8.677 4.604 1.00 71.10 C ATOM 1084 C ASP A 68 13.520 -8.300 3.911 1.00 24.42 C ATOM 1085 O ASP A 68 13.735 -8.635 2.746 1.00 74.24 O ATOM 1086 CB ASP A 68 11.432 -7.415 4.968 1.00 64.02 C ATOM 1087 CG ASP A 68 10.255 -7.177 4.043 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.626 -8.167 3.616 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 9.963 -5.999 3.745 1.00 12.13 O ATOM 0 H ASP A 68 11.957 -9.174 6.625 1.00 21.12 H new ATOM 0 HA ASP A 68 11.621 -9.278 3.916 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.073 -7.497 5.994 1.00 64.02 H new ATOM 0 HB3 ASP A 68 12.099 -6.554 4.931 1.00 64.02 H new ATOM 1094 N ASP A 69 14.387 -7.600 4.634 1.00 45.41 N ATOM 1095 CA ASP A 69 15.672 -7.176 4.088 1.00 14.54 C ATOM 1096 C ASP A 69 16.433 -8.364 3.508 1.00 22.43 C ATOM 1097 O ASP A 69 17.098 -8.244 2.479 1.00 53.21 O ATOM 1098 CB ASP A 69 16.510 -6.496 5.171 1.00 1.15 C ATOM 1099 CG ASP A 69 17.972 -6.381 4.785 1.00 54.42 C ATOM 1100 OD1 ASP A 69 18.296 -5.523 3.938 1.00 74.02 O ATOM 1101 OD2 ASP A 69 18.791 -7.150 5.329 1.00 30.41 O1- ATOM 0 H ASP A 69 14.224 -7.314 5.599 1.00 45.41 H new ATOM 0 HA ASP A 69 15.482 -6.463 3.286 1.00 14.54 H new ATOM 0 HB2 ASP A 69 16.109 -5.501 5.365 1.00 1.15 H new ATOM 0 HB3 ASP A 69 16.426 -7.061 6.100 1.00 1.15 H new ATOM 1106 N ILE A 70 16.332 -9.508 4.175 1.00 1.14 N ATOM 1107 CA ILE A 70 17.011 -10.717 3.725 1.00 43.35 C ATOM 1108 C ILE A 70 16.451 -11.198 2.390 1.00 31.44 C ATOM 1109 O ILE A 70 17.203 -11.533 1.475 1.00 24.31 O ATOM 1110 CB ILE A 70 16.887 -11.852 4.760 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.824 -11.596 5.942 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.194 -13.194 4.113 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.289 -11.608 5.565 1.00 73.31 C ATOM 0 H ILE A 70 15.787 -9.624 5.029 1.00 1.14 H new ATOM 0 HA ILE A 70 18.063 -10.461 3.604 1.00 43.35 H new ATOM 0 HB ILE A 70 15.863 -11.877 5.131 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.579 -10.631 6.387 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.647 -12.353 6.706 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.102 -13.986 4.856 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.490 -13.376 3.301 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.210 -13.183 3.718 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.894 -11.420 6.452 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.549 -12.581 5.148 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.480 -10.832 4.824 1.00 73.31 H new ATOM 1125 N MET A 71 15.127 -11.228 2.287 1.00 71.51 N ATOM 1126 CA MET A 71 14.466 -11.664 1.063 1.00 43.30 C ATOM 1127 C MET A 71 15.022 -10.924 -0.149 1.00 65.43 C ATOM 1128 O MET A 71 15.293 -11.527 -1.187 1.00 75.00 O ATOM 1129 CB MET A 71 12.957 -11.440 1.164 1.00 72.31 C ATOM 1130 CG MET A 71 12.190 -11.889 -0.070 1.00 1.33 C ATOM 1131 SD MET A 71 12.289 -13.669 -0.339 1.00 74.13 S ATOM 1132 CE MET A 71 11.239 -14.270 0.982 1.00 31.24 C ATOM 0 H MET A 71 14.491 -10.956 3.036 1.00 71.51 H new ATOM 0 HA MET A 71 14.659 -12.729 0.936 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.576 -11.976 2.033 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.766 -10.380 1.334 1.00 72.31 H new ATOM 0 HG2 MET A 71 11.144 -11.598 0.031 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.582 -11.371 -0.945 1.00 1.33 H new ATOM 0 HE1 MET A 71 10.687 -15.145 0.639 1.00 31.24 H new ATOM 0 HE2 MET A 71 11.854 -14.542 1.840 1.00 31.24 H new ATOM 0 HE3 MET A 71 10.536 -13.489 1.272 1.00 31.24 H new ATOM 1142 N PHE A 72 15.189 -9.613 -0.010 1.00 41.54 N ATOM 1143 CA PHE A 72 15.711 -8.789 -1.094 1.00 22.30 C ATOM 1144 C PHE A 72 17.168 -9.135 -1.388 1.00 43.01 C ATOM 1145 O PHE A 72 17.626 -9.024 -2.525 1.00 63.32 O ATOM 1146 CB PHE A 72 15.589 -7.305 -0.740 1.00 44.00 C ATOM 1147 CG PHE A 72 15.880 -6.388 -1.894 1.00 52.50 C ATOM 1148 CD1 PHE A 72 14.924 -6.159 -2.872 1.00 61.23 C ATOM 1149 CD2 PHE A 72 17.107 -5.753 -2.000 1.00 2.12 C ATOM 1150 CE1 PHE A 72 15.189 -5.317 -3.934 1.00 44.43 C ATOM 1151 CE2 PHE A 72 17.376 -4.909 -3.061 1.00 51.42 C ATOM 1152 CZ PHE A 72 16.416 -4.690 -4.029 1.00 61.11 C ATOM 0 H PHE A 72 14.970 -9.098 0.843 1.00 41.54 H new ATOM 0 HA PHE A 72 15.120 -8.992 -1.987 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.581 -7.108 -0.375 1.00 44.00 H new ATOM 0 HB3 PHE A 72 16.274 -7.077 0.077 1.00 44.00 H new ATOM 0 HD1 PHE A 72 13.962 -6.644 -2.802 1.00 61.23 H new ATOM 0 HD2 PHE A 72 17.861 -5.919 -1.245 1.00 2.12 H new ATOM 0 HE1 PHE A 72 14.437 -5.149 -4.690 1.00 44.43 H new ATOM 0 HE2 PHE A 72 18.337 -4.421 -3.133 1.00 51.42 H new ATOM 0 HZ PHE A 72 16.624 -4.030 -4.858 1.00 61.11 H new ATOM 1162 N ALA A 73 17.889 -9.555 -0.353 1.00 72.11 N ATOM 1163 CA ALA A 73 19.293 -9.920 -0.500 1.00 15.10 C ATOM 1164 C ALA A 73 19.440 -11.281 -1.169 1.00 3.03 C ATOM 1165 O ALA A 73 20.057 -11.399 -2.229 1.00 20.54 O ATOM 1166 CB ALA A 73 19.982 -9.919 0.857 1.00 40.23 C ATOM 0 H ALA A 73 17.525 -9.651 0.595 1.00 72.11 H new ATOM 0 HA ALA A 73 19.771 -9.178 -1.139 1.00 15.10 H new ATOM 0 HB1 ALA A 73 21.030 -10.193 0.733 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.917 -8.924 1.297 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.494 -10.639 1.514 1.00 40.23 H new ATOM 1172 N ILE A 74 18.870 -12.307 -0.546 1.00 62.02 N ATOM 1173 CA ILE A 74 18.938 -13.660 -1.083 1.00 2.11 C ATOM 1174 C ILE A 74 18.168 -13.771 -2.394 1.00 5.14 C ATOM 1175 O ILE A 74 18.656 -14.347 -3.365 1.00 43.34 O ATOM 1176 CB ILE A 74 18.380 -14.691 -0.084 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.212 -14.693 1.200 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.358 -16.077 -0.710 1.00 21.22 C ATOM 1179 CD1 ILE A 74 18.750 -15.713 2.217 1.00 30.22 C ATOM 0 H ILE A 74 18.356 -12.227 0.331 1.00 62.02 H new ATOM 0 HA ILE A 74 19.991 -13.875 -1.264 1.00 2.11 H new ATOM 0 HB ILE A 74 17.357 -14.412 0.169 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.254 -14.889 0.948 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.174 -13.701 1.649 1.00 44.31 H new ATOM 0 HG21 ILE A 74 17.961 -16.794 0.008 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.726 -16.065 -1.598 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.371 -16.366 -0.990 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.385 -15.658 3.101 1.00 30.22 H new ATOM 0 HD12 ILE A 74 17.718 -15.505 2.498 1.00 30.22 H new ATOM 0 HD13 ILE A 74 18.814 -16.712 1.786 1.00 30.22 H new ATOM 1191 N GLY A 75 16.962 -13.212 -2.415 1.00 3.13 N ATOM 1192 CA GLY A 75 16.145 -13.255 -3.613 1.00 32.31 C ATOM 1193 C GLY A 75 16.883 -12.752 -4.839 1.00 1.25 C ATOM 1194 O GLY A 75 16.745 -13.309 -5.928 1.00 54.01 O ATOM 0 H GLY A 75 16.536 -12.730 -1.623 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.815 -14.279 -3.787 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.249 -12.653 -3.460 1.00 32.31 H new ATOM 1198 N THR A 76 17.669 -11.695 -4.661 1.00 53.52 N ATOM 1199 CA THR A 76 18.429 -11.115 -5.761 1.00 44.22 C ATOM 1200 C THR A 76 19.833 -11.705 -5.830 1.00 51.23 C ATOM 1201 O THR A 76 20.678 -11.234 -6.590 1.00 5.23 O ATOM 1202 CB THR A 76 18.534 -9.585 -5.625 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.319 -9.247 -4.476 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.154 -8.956 -5.505 1.00 74.33 C ATOM 0 H THR A 76 17.796 -11.223 -3.766 1.00 53.52 H new ATOM 0 HA THR A 76 17.891 -11.355 -6.678 1.00 44.22 H new ATOM 0 HB THR A 76 19.017 -9.196 -6.521 1.00 62.11 H new ATOM 0 HG1 THR A 76 18.738 -8.870 -3.782 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.254 -7.875 -5.410 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.569 -9.190 -6.395 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.649 -9.352 -4.624 1.00 74.33 H new ATOM 1212 N GLY A 77 20.075 -12.741 -5.033 1.00 1.41 N ATOM 1213 CA GLY A 77 21.378 -13.379 -5.019 1.00 40.44 C ATOM 1214 C GLY A 77 22.495 -12.410 -4.681 1.00 21.42 C ATOM 1215 O GLY A 77 23.650 -12.635 -5.042 1.00 72.34 O ATOM 0 H GLY A 77 19.391 -13.150 -4.396 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.374 -14.191 -4.292 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.571 -13.825 -5.995 1.00 40.44 H new ATOM 1219 N ALA A 78 22.149 -11.329 -3.990 1.00 14.03 N ATOM 1220 CA ALA A 78 23.131 -10.324 -3.603 1.00 4.53 C ATOM 1221 C ALA A 78 24.099 -10.874 -2.562 1.00 51.42 C ATOM 1222 O ALA A 78 25.297 -10.591 -2.603 1.00 12.13 O ATOM 1223 CB ALA A 78 22.432 -9.081 -3.073 1.00 15.31 C ATOM 0 H ALA A 78 21.196 -11.127 -3.687 1.00 14.03 H new ATOM 0 HA ALA A 78 23.707 -10.054 -4.488 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.177 -8.338 -2.788 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.787 -8.668 -3.848 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.831 -9.345 -2.203 1.00 15.31 H new ATOM 1229 N LEU A 79 23.574 -11.660 -1.630 1.00 34.13 N ATOM 1230 CA LEU A 79 24.392 -12.250 -0.575 1.00 54.32 C ATOM 1231 C LEU A 79 24.306 -13.773 -0.607 1.00 62.35 C ATOM 1232 O LEU A 79 23.316 -14.354 -1.049 1.00 75.14 O ATOM 1233 CB LEU A 79 23.947 -11.731 0.794 1.00 45.25 C ATOM 1234 CG LEU A 79 24.400 -10.317 1.154 1.00 22.42 C ATOM 1235 CD1 LEU A 79 23.661 -9.818 2.387 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.904 -10.278 1.379 1.00 23.31 C ATOM 0 H LEU A 79 22.585 -11.904 -1.582 1.00 34.13 H new ATOM 0 HA LEU A 79 25.428 -11.959 -0.747 1.00 54.32 H new ATOM 0 HB2 LEU A 79 22.858 -11.764 0.837 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.317 -12.415 1.558 1.00 45.25 H new ATOM 0 HG LEU A 79 24.162 -9.657 0.320 1.00 22.42 H new ATOM 0 HD11 LEU A 79 23.996 -8.809 2.629 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.589 -9.806 2.189 1.00 41.33 H new ATOM 0 HD13 LEU A 79 23.867 -10.480 3.228 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.207 -9.263 1.634 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.167 -10.951 2.195 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.416 -10.592 0.469 1.00 23.31 H new ATOM 1248 N PRO A 80 25.369 -14.436 -0.126 1.00 14.00 N ATOM 1249 CA PRO A 80 25.437 -15.899 -0.086 1.00 41.14 C ATOM 1250 C PRO A 80 24.478 -16.496 0.937 1.00 21.40 C ATOM 1251 O PRO A 80 24.493 -16.122 2.110 1.00 0.41 O ATOM 1252 CB PRO A 80 26.888 -16.175 0.317 1.00 72.45 C ATOM 1253 CG PRO A 80 27.315 -14.955 1.057 1.00 25.51 C ATOM 1254 CD PRO A 80 26.585 -13.807 0.417 1.00 63.44 C ATOM 0 HA PRO A 80 25.151 -16.347 -1.038 1.00 41.14 H new ATOM 0 HB2 PRO A 80 26.963 -17.064 0.943 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.516 -16.347 -0.557 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.067 -15.034 2.116 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.394 -14.816 0.992 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.346 -13.029 1.142 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.180 -13.340 -0.367 1.00 63.44 H new ATOM 1262 N ALA A 81 23.644 -17.427 0.486 1.00 32.45 N ATOM 1263 CA ALA A 81 22.678 -18.079 1.364 1.00 0.14 C ATOM 1264 C ALA A 81 23.381 -18.876 2.457 1.00 23.15 C ATOM 1265 O ALA A 81 22.843 -19.059 3.550 1.00 35.22 O ATOM 1266 CB ALA A 81 21.758 -18.983 0.558 1.00 1.12 C ATOM 0 H ALA A 81 23.617 -17.747 -0.482 1.00 32.45 H new ATOM 0 HA ALA A 81 22.079 -17.304 1.843 1.00 0.14 H new ATOM 0 HB1 ALA A 81 21.043 -19.463 1.226 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.222 -18.389 -0.182 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.350 -19.746 0.052 1.00 1.12 H new ATOM 1272 N LYS A 82 24.586 -19.349 2.157 1.00 52.31 N ATOM 1273 CA LYS A 82 25.363 -20.127 3.115 1.00 64.02 C ATOM 1274 C LYS A 82 25.875 -19.242 4.247 1.00 31.13 C ATOM 1275 O LYS A 82 25.602 -19.498 5.418 1.00 60.00 O ATOM 1276 CB LYS A 82 26.541 -20.807 2.413 1.00 15.40 C ATOM 1277 CG LYS A 82 26.700 -22.274 2.776 1.00 55.43 C ATOM 1278 CD LYS A 82 27.973 -22.859 2.188 1.00 25.31 C ATOM 1279 CE LYS A 82 28.676 -23.773 3.179 1.00 43.03 C ATOM 1280 NZ LYS A 82 28.188 -25.176 3.082 1.00 1.31 N1+ ATOM 0 H LYS A 82 25.046 -19.207 1.258 1.00 52.31 H new ATOM 0 HA LYS A 82 24.711 -20.890 3.540 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.410 -20.720 1.334 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.459 -20.277 2.666 1.00 15.40 H new ATOM 0 HG2 LYS A 82 26.716 -22.382 3.861 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.839 -22.835 2.413 1.00 55.43 H new ATOM 0 HD2 LYS A 82 27.734 -23.417 1.283 1.00 25.31 H new ATOM 0 HD3 LYS A 82 28.645 -22.052 1.896 1.00 25.31 H new ATOM 0 HE2 LYS A 82 29.750 -23.749 2.996 1.00 43.03 H new ATOM 0 HE3 LYS A 82 28.516 -23.402 4.191 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 28.692 -25.767 3.774 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 27.168 -25.203 3.281 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 28.363 -25.539 2.123 1.00 1.31 H new ATOM 1294 N GLU A 83 26.617 -18.199 3.887 1.00 54.33 N ATOM 1295 CA GLU A 83 27.167 -17.276 4.874 1.00 72.13 C ATOM 1296 C GLU A 83 26.053 -16.627 5.690 1.00 22.30 C ATOM 1297 O GLU A 83 26.150 -16.509 6.911 1.00 41.13 O ATOM 1298 CB GLU A 83 28.005 -16.197 4.185 1.00 33.31 C ATOM 1299 CG GLU A 83 29.346 -15.950 4.855 1.00 73.20 C ATOM 1300 CD GLU A 83 30.434 -16.873 4.340 1.00 31.14 C ATOM 1301 OE1 GLU A 83 30.123 -17.746 3.503 1.00 4.11 O ATOM 1302 OE2 GLU A 83 31.596 -16.721 4.772 1.00 42.32 O1- ATOM 0 H GLU A 83 26.851 -17.972 2.920 1.00 54.33 H new ATOM 0 HA GLU A 83 27.806 -17.845 5.550 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.174 -16.487 3.148 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.440 -15.265 4.168 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.645 -14.915 4.691 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.240 -16.084 5.932 1.00 73.20 H new ATOM 1309 N ALA A 84 24.995 -16.205 5.005 1.00 31.35 N ATOM 1310 CA ALA A 84 23.862 -15.569 5.665 1.00 33.22 C ATOM 1311 C ALA A 84 23.365 -16.409 6.837 1.00 0.53 C ATOM 1312 O ALA A 84 23.230 -15.912 7.955 1.00 54.02 O ATOM 1313 CB ALA A 84 22.735 -15.333 4.670 1.00 63.32 C ATOM 0 H ALA A 84 24.899 -16.292 3.993 1.00 31.35 H new ATOM 0 HA ALA A 84 24.196 -14.608 6.056 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.896 -14.857 5.177 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.088 -14.686 3.867 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.413 -16.287 4.252 1.00 63.32 H new ATOM 1319 N MET A 85 23.097 -17.684 6.574 1.00 15.31 N ATOM 1320 CA MET A 85 22.617 -18.593 7.608 1.00 72.33 C ATOM 1321 C MET A 85 23.750 -18.999 8.544 1.00 13.11 C ATOM 1322 O MET A 85 23.519 -19.330 9.707 1.00 65.35 O ATOM 1323 CB MET A 85 21.993 -19.838 6.974 1.00 14.13 C ATOM 1324 CG MET A 85 20.625 -19.586 6.360 1.00 2.33 C ATOM 1325 SD MET A 85 20.238 -20.740 5.030 1.00 30.31 S ATOM 1326 CE MET A 85 19.983 -19.610 3.665 1.00 34.22 C ATOM 0 H MET A 85 23.204 -18.111 5.654 1.00 15.31 H new ATOM 0 HA MET A 85 21.858 -18.071 8.190 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.664 -20.218 6.204 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.904 -20.616 7.732 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.863 -19.663 7.136 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.586 -18.567 5.975 1.00 2.33 H new ATOM 0 HE1 MET A 85 20.140 -20.136 2.723 1.00 34.22 H new ATOM 0 HE2 MET A 85 18.965 -19.223 3.699 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.689 -18.783 3.741 1.00 34.22 H new ATOM 1336 N ALA A 86 24.976 -18.970 8.030 1.00 22.40 N ATOM 1337 CA ALA A 86 26.145 -19.334 8.820 1.00 24.14 C ATOM 1338 C ALA A 86 26.271 -18.446 10.053 1.00 44.20 C ATOM 1339 O ALA A 86 26.723 -18.893 11.107 1.00 35.33 O ATOM 1340 CB ALA A 86 27.405 -19.245 7.972 1.00 41.43 C ATOM 0 H ALA A 86 25.185 -18.698 7.069 1.00 22.40 H new ATOM 0 HA ALA A 86 26.020 -20.363 9.156 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.270 -19.520 8.576 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.322 -19.926 7.125 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.527 -18.225 7.607 1.00 41.43 H new ATOM 1346 N GLN A 87 25.869 -17.187 9.914 1.00 21.33 N ATOM 1347 CA GLN A 87 25.939 -16.237 11.017 1.00 11.30 C ATOM 1348 C GLN A 87 24.678 -16.301 11.872 1.00 13.12 C ATOM 1349 O GLN A 87 24.292 -15.316 12.503 1.00 34.44 O ATOM 1350 CB GLN A 87 26.135 -14.817 10.483 1.00 62.44 C ATOM 1351 CG GLN A 87 27.422 -14.636 9.694 1.00 22.40 C ATOM 1352 CD GLN A 87 27.642 -13.202 9.255 1.00 42.41 C ATOM 1353 OE1 GLN A 87 27.525 -12.272 10.054 1.00 63.45 O ATOM 1354 NE2 GLN A 87 27.962 -13.014 7.981 1.00 23.23 N ATOM 0 H GLN A 87 25.492 -16.801 9.048 1.00 21.33 H new ATOM 0 HA GLN A 87 26.792 -16.505 11.640 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.289 -14.557 9.847 1.00 62.44 H new ATOM 0 HB3 GLN A 87 26.131 -14.119 11.320 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.266 -14.958 10.304 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.399 -15.281 8.816 1.00 22.40 H new ATOM 0 HE21 GLN A 87 28.048 -13.814 7.354 1.00 23.23 H new ATOM 0 HE22 GLN A 87 28.122 -12.070 7.629 1.00 23.23 H new ATOM 1363 N ASP A 88 24.038 -17.465 11.888 1.00 74.43 N ATOM 1364 CA ASP A 88 22.820 -17.658 12.666 1.00 30.11 C ATOM 1365 C ASP A 88 21.850 -16.501 12.452 1.00 61.34 C ATOM 1366 O ASP A 88 21.065 -16.163 13.339 1.00 12.20 O ATOM 1367 CB ASP A 88 23.155 -17.792 14.153 1.00 42.33 C ATOM 1368 CG ASP A 88 23.759 -19.139 14.492 1.00 10.02 C ATOM 1369 OD1 ASP A 88 23.218 -20.166 14.030 1.00 73.51 O ATOM 1370 OD2 ASP A 88 24.775 -19.169 15.219 1.00 1.01 O1- ATOM 0 H ASP A 88 24.343 -18.290 11.371 1.00 74.43 H new ATOM 0 HA ASP A 88 22.342 -18.577 12.325 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.851 -17.003 14.438 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.249 -17.645 14.741 1.00 42.33 H new ATOM 1375 N LYS A 89 21.909 -15.897 11.271 1.00 0.12 N ATOM 1376 CA LYS A 89 21.036 -14.778 10.938 1.00 50.20 C ATOM 1377 C LYS A 89 19.741 -15.269 10.299 1.00 23.34 C ATOM 1378 O LYS A 89 18.898 -14.470 9.890 1.00 54.12 O ATOM 1379 CB LYS A 89 21.750 -13.810 9.992 1.00 12.11 C ATOM 1380 CG LYS A 89 22.458 -12.672 10.706 1.00 1.11 C ATOM 1381 CD LYS A 89 22.574 -11.444 9.819 1.00 0.51 C ATOM 1382 CE LYS A 89 22.399 -10.162 10.617 1.00 23.00 C ATOM 1383 NZ LYS A 89 23.479 -9.177 10.331 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.553 -16.164 10.527 1.00 0.12 H new ATOM 0 HA LYS A 89 20.789 -14.256 11.862 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.478 -14.365 9.400 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.023 -13.394 9.295 1.00 12.11 H new ATOM 0 HG2 LYS A 89 21.913 -12.416 11.614 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.453 -12.996 11.012 1.00 1.11 H new ATOM 0 HD2 LYS A 89 23.547 -11.439 9.329 1.00 0.51 H new ATOM 0 HD3 LYS A 89 21.821 -11.490 9.032 1.00 0.51 H new ATOM 0 HE2 LYS A 89 21.432 -9.718 10.383 1.00 23.00 H new ATOM 0 HE3 LYS A 89 22.393 -10.395 11.682 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 23.323 -8.317 10.895 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 24.401 -9.591 10.578 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 23.469 -8.934 9.320 1.00 64.21 H new ATOM 1397 N MET A 90 19.589 -16.587 10.218 1.00 61.54 N ATOM 1398 CA MET A 90 18.395 -17.183 9.630 1.00 34.14 C ATOM 1399 C MET A 90 18.156 -18.582 10.187 1.00 23.11 C ATOM 1400 O MET A 90 19.102 -19.305 10.500 1.00 52.43 O ATOM 1401 CB MET A 90 18.526 -17.243 8.107 1.00 63.10 C ATOM 1402 CG MET A 90 18.037 -15.987 7.405 1.00 53.24 C ATOM 1403 SD MET A 90 19.168 -15.425 6.118 1.00 10.12 S ATOM 1404 CE MET A 90 20.205 -14.299 7.046 1.00 55.23 C ATOM 0 H MET A 90 20.277 -17.262 10.552 1.00 61.54 H new ATOM 0 HA MET A 90 17.541 -16.557 9.889 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.571 -17.411 7.847 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.963 -18.099 7.736 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.059 -16.179 6.965 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.905 -15.193 8.140 1.00 53.24 H new ATOM 0 HE1 MET A 90 20.800 -13.700 6.356 1.00 55.23 H new ATOM 0 HE2 MET A 90 19.579 -13.642 7.650 1.00 55.23 H new ATOM 0 HE3 MET A 90 20.869 -14.868 7.697 1.00 55.23 H new ATOM 1414 N GLU A 91 16.887 -18.958 10.307 1.00 65.45 N ATOM 1415 CA GLU A 91 16.526 -20.272 10.828 1.00 11.40 C ATOM 1416 C GLU A 91 15.803 -21.097 9.768 1.00 34.33 C ATOM 1417 O GLU A 91 14.653 -20.819 9.426 1.00 12.44 O ATOM 1418 CB GLU A 91 15.641 -20.127 12.068 1.00 33.13 C ATOM 1419 CG GLU A 91 16.396 -19.666 13.305 1.00 21.12 C ATOM 1420 CD GLU A 91 16.906 -20.823 14.142 1.00 24.32 C ATOM 1421 OE1 GLU A 91 16.111 -21.392 14.916 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 18.104 -21.159 14.020 1.00 51.55 O ATOM 0 H GLU A 91 16.092 -18.372 10.051 1.00 65.45 H new ATOM 0 HA GLU A 91 17.444 -20.791 11.104 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.843 -19.416 11.854 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.166 -21.085 12.279 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.238 -19.043 13.001 1.00 21.12 H new ATOM 0 HG3 GLU A 91 15.742 -19.042 13.914 1.00 21.12 H new ATOM 1429 N VAL A 92 16.486 -22.113 9.250 1.00 4.22 N ATOM 1430 CA VAL A 92 15.910 -22.980 8.230 1.00 10.32 C ATOM 1431 C VAL A 92 15.965 -24.443 8.656 1.00 5.13 C ATOM 1432 O VAL A 92 16.969 -24.906 9.197 1.00 24.13 O ATOM 1433 CB VAL A 92 16.640 -22.823 6.882 1.00 74.54 C ATOM 1434 CG1 VAL A 92 18.144 -22.940 7.073 1.00 44.34 C ATOM 1435 CG2 VAL A 92 16.139 -23.853 5.882 1.00 24.44 C ATOM 0 H VAL A 92 17.439 -22.356 9.520 1.00 4.22 H new ATOM 0 HA VAL A 92 14.870 -22.678 8.110 1.00 10.32 H new ATOM 0 HB VAL A 92 16.425 -21.831 6.485 1.00 74.54 H new ATOM 0 HG11 VAL A 92 18.643 -22.827 6.111 1.00 44.34 H new ATOM 0 HG12 VAL A 92 18.486 -22.160 7.753 1.00 44.34 H new ATOM 0 HG13 VAL A 92 18.383 -23.917 7.492 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.665 -23.727 4.936 1.00 24.44 H new ATOM 0 HG22 VAL A 92 16.323 -24.855 6.269 1.00 24.44 H new ATOM 0 HG23 VAL A 92 15.069 -23.716 5.723 1.00 24.44 H new ATOM 1445 N ASP A 93 14.879 -25.167 8.408 1.00 5.23 N ATOM 1446 CA ASP A 93 14.802 -26.578 8.765 1.00 71.33 C ATOM 1447 C ASP A 93 14.269 -27.406 7.599 1.00 3.43 C ATOM 1448 O ASP A 93 13.108 -27.279 7.214 1.00 70.13 O ATOM 1449 CB ASP A 93 13.910 -26.769 9.992 1.00 63.55 C ATOM 1450 CG ASP A 93 14.196 -25.754 11.080 1.00 64.33 C ATOM 1451 OD1 ASP A 93 15.089 -26.012 11.913 1.00 3.05 O ATOM 1452 OD2 ASP A 93 13.527 -24.699 11.097 1.00 61.15 O1- ATOM 0 H ASP A 93 14.039 -24.799 7.961 1.00 5.23 H new ATOM 0 HA ASP A 93 15.809 -26.922 9.001 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.865 -26.692 9.693 1.00 63.55 H new ATOM 0 HB3 ASP A 93 14.054 -27.774 10.390 1.00 63.55 H new ATOM 1457 N GLY A 94 15.128 -28.253 7.041 1.00 62.44 N ATOM 1458 CA GLY A 94 14.726 -29.088 5.923 1.00 54.13 C ATOM 1459 C GLY A 94 15.908 -29.732 5.225 1.00 34.44 C ATOM 1460 O GLY A 94 17.056 -29.360 5.465 1.00 31.24 O ATOM 0 H GLY A 94 16.095 -28.376 7.342 1.00 62.44 H new ATOM 0 HA2 GLY A 94 14.050 -29.866 6.279 1.00 54.13 H new ATOM 0 HA3 GLY A 94 14.169 -28.486 5.206 1.00 54.13 H new ATOM 1464 N GLN A 95 15.627 -30.702 4.362 1.00 20.11 N ATOM 1465 CA GLN A 95 16.676 -31.400 3.629 1.00 74.11 C ATOM 1466 C GLN A 95 17.561 -30.414 2.874 1.00 14.41 C ATOM 1467 O GLN A 95 17.093 -29.692 1.993 1.00 70.12 O ATOM 1468 CB GLN A 95 16.062 -32.405 2.652 1.00 43.12 C ATOM 1469 CG GLN A 95 16.578 -33.824 2.835 1.00 5.44 C ATOM 1470 CD GLN A 95 17.858 -34.083 2.064 1.00 62.14 C ATOM 1471 OE1 GLN A 95 17.835 -34.660 0.976 1.00 52.20 O ATOM 1472 NE2 GLN A 95 18.984 -33.658 2.625 1.00 15.42 N ATOM 0 H GLN A 95 14.682 -31.023 4.153 1.00 20.11 H new ATOM 0 HA GLN A 95 17.294 -31.936 4.350 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.979 -32.402 2.774 1.00 43.12 H new ATOM 0 HB3 GLN A 95 16.269 -32.081 1.632 1.00 43.12 H new ATOM 0 HG2 GLN A 95 16.753 -34.009 3.895 1.00 5.44 H new ATOM 0 HG3 GLN A 95 15.813 -34.529 2.510 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.957 -33.184 3.528 1.00 15.42 H new ATOM 0 HE22 GLN A 95 19.876 -33.805 2.153 1.00 15.42 H new ATOM 1481 N VAL A 96 18.843 -30.389 3.225 1.00 3.03 N ATOM 1482 CA VAL A 96 19.795 -29.492 2.580 1.00 31.30 C ATOM 1483 C VAL A 96 19.581 -29.457 1.071 1.00 11.34 C ATOM 1484 O VAL A 96 19.590 -28.390 0.458 1.00 40.02 O ATOM 1485 CB VAL A 96 21.248 -29.912 2.871 1.00 72.23 C ATOM 1486 CG1 VAL A 96 22.224 -28.979 2.170 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.504 -29.936 4.370 1.00 14.52 C ATOM 0 H VAL A 96 19.246 -30.980 3.952 1.00 3.03 H new ATOM 0 HA VAL A 96 19.622 -28.498 2.992 1.00 31.30 H new ATOM 0 HB VAL A 96 21.402 -30.919 2.482 1.00 72.23 H new ATOM 0 HG11 VAL A 96 23.246 -29.291 2.387 1.00 73.33 H new ATOM 0 HG12 VAL A 96 22.054 -29.016 1.094 1.00 73.33 H new ATOM 0 HG13 VAL A 96 22.073 -27.960 2.526 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.535 -30.235 4.558 1.00 14.52 H new ATOM 0 HG22 VAL A 96 21.333 -28.942 4.784 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.828 -30.648 4.843 1.00 14.52 H new ATOM 1497 N GLU A 97 19.387 -30.631 0.479 1.00 74.25 N ATOM 1498 CA GLU A 97 19.171 -30.733 -0.960 1.00 11.51 C ATOM 1499 C GLU A 97 17.947 -29.927 -1.385 1.00 42.00 C ATOM 1500 O GLU A 97 18.009 -29.130 -2.322 1.00 42.22 O ATOM 1501 CB GLU A 97 18.997 -32.198 -1.369 1.00 74.24 C ATOM 1502 CG GLU A 97 20.154 -32.741 -2.191 1.00 53.13 C ATOM 1503 CD GLU A 97 20.141 -34.254 -2.288 1.00 42.33 C ATOM 1504 OE1 GLU A 97 20.481 -34.916 -1.286 1.00 41.00 O1- ATOM 1505 OE2 GLU A 97 19.791 -34.775 -3.368 1.00 51.11 O ATOM 0 H GLU A 97 19.375 -31.524 0.972 1.00 74.25 H new ATOM 0 HA GLU A 97 20.047 -30.324 -1.463 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.883 -32.806 -0.472 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.076 -32.300 -1.942 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.113 -32.316 -3.194 1.00 53.13 H new ATOM 0 HG3 GLU A 97 21.095 -32.417 -1.746 1.00 53.13 H new ATOM 1512 N LEU A 98 16.835 -30.140 -0.690 1.00 4.22 N ATOM 1513 CA LEU A 98 15.595 -29.434 -0.994 1.00 45.51 C ATOM 1514 C LEU A 98 15.843 -27.937 -1.140 1.00 62.10 C ATOM 1515 O LEU A 98 15.488 -27.334 -2.154 1.00 75.13 O ATOM 1516 CB LEU A 98 14.559 -29.687 0.102 1.00 63.45 C ATOM 1517 CG LEU A 98 13.985 -31.103 0.170 1.00 24.15 C ATOM 1518 CD1 LEU A 98 13.004 -31.226 1.325 1.00 70.31 C ATOM 1519 CD2 LEU A 98 13.311 -31.468 -1.145 1.00 24.12 C ATOM 0 H LEU A 98 16.767 -30.796 0.088 1.00 4.22 H new ATOM 0 HA LEU A 98 15.212 -29.814 -1.941 1.00 45.51 H new ATOM 0 HB2 LEU A 98 15.014 -29.454 1.065 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.734 -28.988 -0.038 1.00 63.45 H new ATOM 0 HG LEU A 98 14.806 -31.800 0.341 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.606 -32.240 1.358 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.516 -31.007 2.262 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.186 -30.519 1.184 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.908 -32.479 -1.079 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.501 -30.767 -1.346 1.00 24.12 H new ATOM 0 HD23 LEU A 98 14.041 -31.420 -1.953 1.00 24.12 H new ATOM 1531 N ILE A 99 16.455 -27.341 -0.122 1.00 14.23 N ATOM 1532 CA ILE A 99 16.754 -25.914 -0.138 1.00 35.14 C ATOM 1533 C ILE A 99 17.876 -25.599 -1.122 1.00 52.03 C ATOM 1534 O ILE A 99 17.996 -24.473 -1.603 1.00 51.23 O ATOM 1535 CB ILE A 99 17.152 -25.407 1.259 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.403 -26.137 1.754 1.00 34.25 C ATOM 1537 CG2 ILE A 99 16.003 -25.591 2.238 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.079 -25.455 2.923 1.00 52.41 C ATOM 0 H ILE A 99 16.754 -27.825 0.725 1.00 14.23 H new ATOM 0 HA ILE A 99 15.844 -25.404 -0.454 1.00 35.14 H new ATOM 0 HB ILE A 99 17.378 -24.343 1.191 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.131 -27.152 2.044 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.114 -26.220 0.932 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.301 -25.227 3.221 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.136 -25.029 1.891 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.747 -26.649 2.304 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.957 -26.028 3.220 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.383 -24.450 2.632 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.384 -25.395 3.761 1.00 52.41 H new ATOM 1550 N PHE A 100 18.697 -26.603 -1.416 1.00 71.24 N ATOM 1551 CA PHE A 100 19.811 -26.433 -2.342 1.00 72.33 C ATOM 1552 C PHE A 100 19.315 -26.385 -3.784 1.00 42.50 C ATOM 1553 O PHE A 100 20.051 -25.995 -4.693 1.00 71.51 O ATOM 1554 CB PHE A 100 20.819 -27.572 -2.174 1.00 70.10 C ATOM 1555 CG PHE A 100 22.051 -27.411 -3.019 1.00 5.21 C ATOM 1556 CD1 PHE A 100 23.121 -26.654 -2.570 1.00 32.30 C ATOM 1557 CD2 PHE A 100 22.137 -28.017 -4.262 1.00 64.21 C ATOM 1558 CE1 PHE A 100 24.256 -26.504 -3.345 1.00 55.43 C ATOM 1559 CE2 PHE A 100 23.270 -27.871 -5.041 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.329 -27.113 -4.583 1.00 4.43 C ATOM 0 H PHE A 100 18.612 -27.542 -1.027 1.00 71.24 H new ATOM 0 HA PHE A 100 20.302 -25.487 -2.113 1.00 72.33 H new ATOM 0 HB2 PHE A 100 21.112 -27.635 -1.126 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.335 -28.515 -2.427 1.00 70.10 H new ATOM 0 HD1 PHE A 100 23.068 -26.175 -1.603 1.00 32.30 H new ATOM 0 HD2 PHE A 100 21.311 -28.609 -4.626 1.00 64.21 H new ATOM 0 HE1 PHE A 100 25.084 -25.912 -2.983 1.00 55.43 H new ATOM 0 HE2 PHE A 100 23.326 -28.350 -6.007 1.00 44.14 H new ATOM 0 HZ PHE A 100 25.213 -26.996 -5.192 1.00 4.43 H new ATOM 1570 N LEU A 101 18.066 -26.786 -3.988 1.00 25.32 N ATOM 1571 CA LEU A 101 17.470 -26.790 -5.320 1.00 40.32 C ATOM 1572 C LEU A 101 17.103 -25.375 -5.756 1.00 65.23 C ATOM 1573 O LEU A 101 17.189 -25.036 -6.938 1.00 62.41 O ATOM 1574 CB LEU A 101 16.229 -27.682 -5.342 1.00 25.44 C ATOM 1575 CG LEU A 101 16.415 -29.080 -5.933 1.00 23.22 C ATOM 1576 CD1 LEU A 101 16.342 -29.031 -7.451 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.740 -29.676 -5.480 1.00 22.30 C ATOM 0 H LEU A 101 17.445 -27.113 -3.248 1.00 25.32 H new ATOM 0 HA LEU A 101 18.206 -27.186 -6.020 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.864 -27.787 -4.320 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.450 -27.171 -5.908 1.00 25.44 H new ATOM 0 HG LEU A 101 15.609 -29.718 -5.572 1.00 23.22 H new ATOM 0 HD11 LEU A 101 16.476 -30.035 -7.854 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.370 -28.645 -7.756 1.00 4.34 H new ATOM 0 HD13 LEU A 101 17.128 -28.379 -7.832 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.857 -30.671 -5.909 1.00 22.30 H new ATOM 0 HD22 LEU A 101 18.559 -29.038 -5.813 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.755 -29.746 -4.392 1.00 22.30 H new ATOM 1589 N LEU A 102 16.696 -24.552 -4.797 1.00 30.55 N ATOM 1590 CA LEU A 102 16.318 -23.173 -5.081 1.00 44.41 C ATOM 1591 C LEU A 102 17.540 -22.261 -5.073 1.00 35.10 C ATOM 1592 O LEU A 102 17.451 -21.084 -5.425 1.00 24.35 O ATOM 1593 CB LEU A 102 15.294 -22.682 -4.055 1.00 74.32 C ATOM 1594 CG LEU A 102 13.836 -23.047 -4.334 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.707 -24.531 -4.639 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.955 -22.664 -3.153 1.00 31.25 C ATOM 0 H LEU A 102 16.619 -24.816 -3.815 1.00 30.55 H new ATOM 0 HA LEU A 102 15.871 -23.142 -6.075 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.567 -23.082 -3.079 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.369 -21.597 -3.987 1.00 74.32 H new ATOM 0 HG LEU A 102 13.501 -22.487 -5.207 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.662 -24.773 -4.835 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.307 -24.776 -5.516 1.00 14.34 H new ATOM 0 HD13 LEU A 102 14.059 -25.110 -3.785 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.921 -22.931 -3.369 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.289 -23.196 -2.262 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.024 -21.590 -2.981 1.00 31.25 H new ATOM 1608 N GLU A 103 18.682 -22.812 -4.672 1.00 43.15 N ATOM 1609 CA GLU A 103 19.922 -22.047 -4.621 1.00 3.21 C ATOM 1610 C GLU A 103 20.353 -21.615 -6.020 1.00 63.23 C ATOM 1611 O GLU A 103 20.613 -20.441 -6.282 1.00 12.34 O ATOM 1612 CB GLU A 103 21.030 -22.874 -3.966 1.00 45.21 C ATOM 1613 CG GLU A 103 21.143 -22.662 -2.466 1.00 43.34 C ATOM 1614 CD GLU A 103 22.366 -23.331 -1.872 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.486 -23.053 -2.351 1.00 12.12 O1- ATOM 1616 OE2 GLU A 103 22.205 -24.133 -0.929 1.00 3.05 O ATOM 0 H GLU A 103 18.774 -23.784 -4.378 1.00 43.15 H new ATOM 0 HA GLU A 103 19.744 -21.153 -4.023 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.847 -23.931 -4.162 1.00 45.21 H new ATOM 0 HB3 GLU A 103 21.983 -22.623 -4.432 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.180 -21.593 -2.256 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.249 -23.051 -1.980 1.00 43.34 H new ATOM 1623 N PRO A 104 20.432 -22.587 -6.941 1.00 1.41 N ATOM 1624 CA PRO A 104 20.830 -22.333 -8.328 1.00 73.13 C ATOM 1625 C PRO A 104 19.774 -21.551 -9.101 1.00 4.23 C ATOM 1626 O PRO A 104 20.009 -21.120 -10.230 1.00 22.01 O ATOM 1627 CB PRO A 104 20.991 -23.737 -8.914 1.00 53.34 C ATOM 1628 CG PRO A 104 20.106 -24.599 -8.081 1.00 15.34 C ATOM 1629 CD PRO A 104 20.135 -24.009 -6.698 1.00 52.44 C ATOM 0 HA PRO A 104 21.733 -21.725 -8.387 1.00 73.13 H new ATOM 0 HB2 PRO A 104 20.697 -23.764 -9.963 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.028 -24.070 -8.865 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.091 -24.614 -8.477 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.461 -25.630 -8.073 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.182 -24.139 -6.186 1.00 52.44 H new ATOM 0 HD3 PRO A 104 20.898 -24.478 -6.077 1.00 52.44 H new ATOM 1637 N PHE A 105 18.610 -21.370 -8.487 1.00 2.15 N ATOM 1638 CA PHE A 105 17.517 -20.640 -9.118 1.00 32.10 C ATOM 1639 C PHE A 105 17.488 -19.190 -8.645 1.00 31.15 C ATOM 1640 O PHE A 105 16.865 -18.333 -9.274 1.00 64.30 O ATOM 1641 CB PHE A 105 16.179 -21.315 -8.809 1.00 54.33 C ATOM 1642 CG PHE A 105 15.709 -22.239 -9.896 1.00 41.41 C ATOM 1643 CD1 PHE A 105 16.604 -23.065 -10.557 1.00 74.43 C ATOM 1644 CD2 PHE A 105 14.372 -22.279 -10.259 1.00 1.41 C ATOM 1645 CE1 PHE A 105 16.174 -23.917 -11.558 1.00 11.53 C ATOM 1646 CE2 PHE A 105 13.937 -23.128 -11.258 1.00 3.32 C ATOM 1647 CZ PHE A 105 14.839 -23.947 -11.910 1.00 12.30 C ATOM 0 H PHE A 105 18.399 -21.719 -7.552 1.00 2.15 H new ATOM 0 HA PHE A 105 17.681 -20.650 -10.196 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.271 -21.877 -7.880 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.423 -20.547 -8.644 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.650 -23.043 -10.287 1.00 74.43 H new ATOM 0 HD2 PHE A 105 13.662 -21.639 -9.755 1.00 1.41 H new ATOM 0 HE1 PHE A 105 16.881 -24.558 -12.064 1.00 11.53 H new ATOM 0 HE2 PHE A 105 12.892 -23.152 -11.529 1.00 3.32 H new ATOM 0 HZ PHE A 105 14.501 -24.609 -12.693 1.00 12.30 H new ATOM 1657 N ILE A 106 18.165 -18.922 -7.535 1.00 24.22 N ATOM 1658 CA ILE A 106 18.218 -17.576 -6.978 1.00 75.54 C ATOM 1659 C ILE A 106 18.687 -16.567 -8.022 1.00 2.34 C ATOM 1660 O ILE A 106 18.076 -15.514 -8.200 1.00 3.54 O ATOM 1661 CB ILE A 106 19.154 -17.507 -5.757 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.482 -18.136 -4.535 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.545 -16.065 -5.469 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.462 -18.668 -3.513 1.00 25.24 C ATOM 0 H ILE A 106 18.685 -19.619 -7.003 1.00 24.22 H new ATOM 0 HA ILE A 106 17.205 -17.326 -6.663 1.00 75.54 H new ATOM 0 HB ILE A 106 20.060 -18.071 -5.981 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.842 -17.393 -4.060 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.836 -18.950 -4.864 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.207 -16.033 -4.603 1.00 24.41 H new ATOM 0 HG22 ILE A 106 20.060 -15.648 -6.334 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.649 -15.479 -5.263 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.915 -19.099 -2.675 1.00 25.24 H new ATOM 0 HD12 ILE A 106 20.086 -19.435 -3.972 1.00 25.24 H new ATOM 0 HD13 ILE A 106 20.092 -17.854 -3.155 1.00 25.24 H new ATOM 1676 N ALA A 107 19.773 -16.899 -8.710 1.00 3.35 N ATOM 1677 CA ALA A 107 20.323 -16.024 -9.739 1.00 34.20 C ATOM 1678 C ALA A 107 19.282 -15.716 -10.810 1.00 53.41 C ATOM 1679 O ALA A 107 19.217 -14.600 -11.324 1.00 32.33 O ATOM 1680 CB ALA A 107 21.557 -16.657 -10.366 1.00 64.22 C ATOM 0 H ALA A 107 20.290 -17.768 -8.574 1.00 3.35 H new ATOM 0 HA ALA A 107 20.610 -15.084 -9.267 1.00 34.20 H new ATOM 0 HB1 ALA A 107 21.957 -15.993 -11.132 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.312 -16.821 -9.597 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.287 -17.611 -10.818 1.00 64.22 H new ATOM 1686 N SER A 108 18.469 -16.714 -11.143 1.00 21.15 N ATOM 1687 CA SER A 108 17.434 -16.550 -12.157 1.00 44.42 C ATOM 1688 C SER A 108 16.583 -15.317 -11.870 1.00 32.13 C ATOM 1689 O SER A 108 16.005 -14.721 -12.781 1.00 64.31 O ATOM 1690 CB SER A 108 16.546 -17.795 -12.214 1.00 55.01 C ATOM 1691 OG SER A 108 16.459 -18.298 -13.535 1.00 5.42 O ATOM 0 H SER A 108 18.507 -17.644 -10.726 1.00 21.15 H new ATOM 0 HA SER A 108 17.923 -16.416 -13.122 1.00 44.42 H new ATOM 0 HB2 SER A 108 16.949 -18.564 -11.555 1.00 55.01 H new ATOM 0 HB3 SER A 108 15.549 -17.551 -11.848 1.00 55.01 H new ATOM 0 HG SER A 108 16.945 -19.147 -13.594 1.00 5.42 H new ATOM 1697 N LEU A 109 16.511 -14.938 -10.599 1.00 35.14 N ATOM 1698 CA LEU A 109 15.730 -13.776 -10.190 1.00 3.21 C ATOM 1699 C LEU A 109 16.526 -12.490 -10.386 1.00 12.12 C ATOM 1700 O LEU A 109 17.722 -12.525 -10.678 1.00 20.34 O ATOM 1701 CB LEU A 109 15.308 -13.909 -8.726 1.00 34.14 C ATOM 1702 CG LEU A 109 14.882 -15.307 -8.275 1.00 61.52 C ATOM 1703 CD1 LEU A 109 14.290 -15.259 -6.875 1.00 33.34 C ATOM 1704 CD2 LEU A 109 13.884 -15.903 -9.257 1.00 5.32 C ATOM 0 H LEU A 109 16.984 -15.419 -9.834 1.00 35.14 H new ATOM 0 HA LEU A 109 14.839 -13.730 -10.815 1.00 3.21 H new ATOM 0 HB2 LEU A 109 16.138 -13.584 -8.098 1.00 34.14 H new ATOM 0 HB3 LEU A 109 14.482 -13.222 -8.543 1.00 34.14 H new ATOM 0 HG LEU A 109 15.765 -15.945 -8.252 1.00 61.52 H new ATOM 0 HD11 LEU A 109 13.993 -16.263 -6.571 1.00 33.34 H new ATOM 0 HD12 LEU A 109 15.035 -14.874 -6.178 1.00 33.34 H new ATOM 0 HD13 LEU A 109 13.418 -14.605 -6.871 1.00 33.34 H new ATOM 0 HD21 LEU A 109 13.592 -16.898 -8.920 1.00 5.32 H new ATOM 0 HD22 LEU A 109 13.002 -15.265 -9.312 1.00 5.32 H new ATOM 0 HD23 LEU A 109 14.342 -15.974 -10.243 1.00 5.32 H new ATOM 1716 N LYS A 110 15.856 -11.355 -10.220 1.00 61.55 N ATOM 1717 CA LYS A 110 16.501 -10.055 -10.375 1.00 50.13 C ATOM 1718 C LYS A 110 15.812 -9.000 -9.515 1.00 22.31 C ATOM 1719 O LYS A 110 14.941 -9.347 -8.720 1.00 42.22 O ATOM 1720 CB LYS A 110 16.481 -9.625 -11.844 1.00 44.41 C ATOM 1721 CG LYS A 110 17.858 -9.572 -12.482 1.00 44.45 C ATOM 1722 CD LYS A 110 17.791 -9.066 -13.913 1.00 34.11 C ATOM 1723 CE LYS A 110 19.164 -9.054 -14.565 1.00 5.35 C ATOM 1724 NZ LYS A 110 19.759 -7.688 -14.582 1.00 30.41 N1+ ATOM 0 H LYS A 110 14.866 -11.308 -9.978 1.00 61.55 H new ATOM 0 HA LYS A 110 17.535 -10.148 -10.044 1.00 50.13 H new ATOM 0 HB2 LYS A 110 15.855 -10.317 -12.408 1.00 44.41 H new ATOM 0 HB3 LYS A 110 16.017 -8.642 -11.920 1.00 44.41 H new ATOM 0 HG2 LYS A 110 18.507 -8.922 -11.895 1.00 44.45 H new ATOM 0 HG3 LYS A 110 18.305 -10.566 -12.467 1.00 44.45 H new ATOM 0 HD2 LYS A 110 17.118 -9.698 -14.492 1.00 34.11 H new ATOM 0 HD3 LYS A 110 17.373 -8.060 -13.925 1.00 34.11 H new ATOM 0 HE2 LYS A 110 19.827 -9.732 -14.028 1.00 5.35 H new ATOM 0 HE3 LYS A 110 19.085 -9.428 -15.586 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 20.695 -7.723 -15.035 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 19.139 -7.046 -15.116 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 19.859 -7.341 -13.607 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.032 -27.806 -9.603 1.00 74.02 C HETATM 1740 O1 PLM A 200 8.969 -26.983 -9.821 1.00 23.33 O HETATM 1741 O2 PLM A 200 10.189 -28.872 -10.192 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.016 -27.264 -8.534 1.00 54.31 C HETATM 1743 C3 PLM A 200 11.825 -26.052 -9.117 1.00 13.24 C HETATM 1744 C4 PLM A 200 11.367 -24.662 -8.618 1.00 51.32 C HETATM 1745 C5 PLM A 200 11.853 -24.367 -7.187 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.516 -22.930 -6.745 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.434 -21.885 -7.408 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.323 -20.503 -6.736 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.699 -19.940 -6.326 1.00 71.14 C HETATM 1750 CA PLM A 200 13.813 -19.561 -4.836 1.00 3.31 C HETATM 1751 CB PLM A 200 15.168 -18.878 -4.571 1.00 12.32 C HETATM 1752 CC PLM A 200 15.001 -18.064 -3.133 1.00 52.33 C HETATM 1753 CD PLM A 200 15.210 -19.012 -1.936 1.00 43.24 C HETATM 1754 CE PLM A 200 16.591 -19.695 -1.969 1.00 12.22 C HETATM 1755 CF PLM A 200 16.847 -20.547 -0.712 1.00 51.53 C HETATM 1756 CG PLM A 200 18.071 -21.457 -0.880 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.911 -22.130 -1.722 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.955 -20.847 -1.065 1.00 5.21 H new HETATM 0 HG1 PLM A 200 18.217 -22.041 0.028 1.00 5.21 H new HETATM 0 HF2 PLM A 200 16.996 -19.892 0.147 1.00 51.53 H new HETATM 0 HF1 PLM A 200 15.968 -21.156 -0.500 1.00 51.53 H new HETATM 0 HE2 PLM A 200 16.661 -20.326 -2.855 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.368 -18.936 -2.056 1.00 12.22 H new HETATM 0 HD2 PLM A 200 15.106 -18.450 -1.008 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.430 -19.773 -1.937 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.723 -17.249 -3.086 1.00 52.33 H new HETATM 0 HC1 PLM A 200 14.009 -17.615 -3.078 1.00 52.33 H new HETATM 0 HB2 PLM A 200 15.970 -19.614 -4.511 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.424 -18.193 -5.379 1.00 12.32 H new HETATM 0 HA2 PLM A 200 12.998 -18.892 -4.559 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.718 -20.453 -4.217 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.465 -20.679 -6.560 1.00 71.14 H new HETATM 0 H91 PLM A 200 13.912 -19.058 -6.930 1.00 71.14 H new HETATM 0 H82 PLM A 200 11.837 -19.807 -7.420 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.687 -20.580 -5.854 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.467 -22.229 -7.360 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.177 -21.796 -8.463 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.478 -22.709 -6.994 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.606 -22.855 -5.661 1.00 53.20 H new HETATM 0 H52 PLM A 200 11.395 -25.075 -6.496 1.00 43.34 H new HETATM 0 H51 PLM A 200 12.931 -24.519 -7.132 1.00 43.34 H new HETATM 0 H42 PLM A 200 11.744 -23.894 -9.293 1.00 51.32 H new HETATM 0 H41 PLM A 200 10.279 -24.608 -8.648 1.00 51.32 H new HETATM 0 H32 PLM A 200 12.878 -26.183 -8.867 1.00 13.24 H new HETATM 0 H31 PLM A 200 11.751 -26.074 -10.204 1.00 13.24 H new HETATM 0 H22 PLM A 200 10.466 -26.952 -7.646 1.00 54.31 H new HETATM 0 H21 PLM A 200 11.700 -28.054 -8.224 1.00 54.31 H new HETATM 0 H PLM A 200 8.384 -27.378 -10.501 1.00 23.33 H new