USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.565 USER MOD Single : A 10 ASN : amide:sc= -0.624 K(o=-0.62,f=-2.2) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.0053 X(o=0.0053,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= -0.953 (180deg=-1.57!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.768 USER MOD Single : A 24 SER OG : rot -75:sc= 0.715 USER MOD Single : A 29 THR OG1 : rot 97:sc= 0.245 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 145:sc= -0.0328 (180deg=-2.06) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= -0.0297 (180deg=-0.594) USER MOD Single : A 44 ASN : amide:sc= -0.138 K(o=-0.14,f=-2!) USER MOD Single : A 46 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc=-0.00304 X(o=-0.003,f=0) USER MOD Single : A 54 THR OG1 : rot 69:sc= 1.19 USER MOD Single : A 57 GLN : amide:sc= -0.0645 K(o=-0.065,f=-0.9) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 1.05 (180deg=1.01) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= -4.01! (180deg=-4.32!) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.386 USER MOD Single : A 72 ASN : amide:sc= 0.103 K(o=0.1,f=-0.74) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 171:sc=-0.00595 (180deg=-0.0955) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.072 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 143:sc= -1.45 (180deg=-3.33!) USER MOD Single : A 89 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 -12.014 -12.744 -6.028 1.00 0.00 N ATOM 19 CA ASP A 2 -12.626 -13.350 -4.858 1.00 0.00 C ATOM 20 C ASP A 2 -12.108 -12.655 -3.599 1.00 0.00 C ATOM 21 O ASP A 2 -11.068 -13.031 -3.060 1.00 0.00 O ATOM 22 CB ASP A 2 -12.269 -14.835 -4.759 1.00 0.00 C ATOM 23 CG ASP A 2 -11.593 -15.423 -5.999 1.00 0.00 C ATOM 24 OD1 ASP A 2 -10.362 -15.556 -6.053 1.00 0.00 O ATOM 25 OD2 ASP A 2 -12.397 -15.755 -6.952 1.00 0.00 O ATOM 0 HA ASP A 2 -13.707 -13.243 -4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.610 -14.978 -3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.180 -15.399 -4.558 1.00 0.00 H new ATOM 31 N ILE A 3 -12.857 -11.651 -3.165 1.00 0.00 N ATOM 32 CA ILE A 3 -12.486 -10.899 -1.979 1.00 0.00 C ATOM 33 C ILE A 3 -13.603 -11.010 -0.939 1.00 0.00 C ATOM 34 O ILE A 3 -14.781 -11.051 -1.291 1.00 0.00 O ATOM 35 CB ILE A 3 -12.131 -9.457 -2.347 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.673 -9.352 -2.802 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.442 -8.503 -1.192 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.361 -7.945 -3.317 1.00 0.00 C ATOM 0 H ILE A 3 -13.719 -11.341 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.587 -11.319 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.754 -9.155 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.010 -9.595 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.480 -10.082 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.180 -7.485 -1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.505 -8.551 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.863 -8.792 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.319 -7.896 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.009 -7.715 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.532 -7.220 -2.521 1.00 0.00 H new ATOM 50 N SER A 4 -13.195 -11.057 0.320 1.00 0.00 N ATOM 51 CA SER A 4 -14.146 -11.163 1.413 1.00 0.00 C ATOM 52 C SER A 4 -13.732 -10.239 2.559 1.00 0.00 C ATOM 53 O SER A 4 -12.595 -10.293 3.026 1.00 0.00 O ATOM 54 CB SER A 4 -14.259 -12.607 1.908 1.00 0.00 C ATOM 55 OG SER A 4 -15.613 -12.994 2.123 1.00 0.00 O ATOM 0 H SER A 4 -12.217 -11.024 0.608 1.00 0.00 H new ATOM 0 HA SER A 4 -15.125 -10.857 1.045 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.802 -13.277 1.179 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.699 -12.717 2.837 1.00 0.00 H new ATOM 0 HG SER A 4 -15.642 -13.922 2.437 1.00 0.00 H new ATOM 61 N ILE A 5 -14.677 -9.412 2.981 1.00 0.00 N ATOM 62 CA ILE A 5 -14.424 -8.477 4.065 1.00 0.00 C ATOM 63 C ILE A 5 -14.538 -9.211 5.402 1.00 0.00 C ATOM 64 O ILE A 5 -15.516 -9.914 5.648 1.00 0.00 O ATOM 65 CB ILE A 5 -15.347 -7.262 3.949 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.297 -6.666 2.542 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.020 -6.222 5.024 1.00 0.00 C ATOM 68 CD1 ILE A 5 -13.898 -6.137 2.219 1.00 0.00 C ATOM 0 H ILE A 5 -15.619 -9.370 2.592 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.409 -8.085 4.002 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.371 -7.594 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.580 -7.424 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.023 -5.857 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.690 -5.368 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.149 -6.666 6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -13.988 -5.890 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.891 -5.719 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.628 -5.362 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.178 -6.953 2.278 1.00 0.00 H new ATOM 80 N ILE A 6 -13.522 -9.022 6.232 1.00 0.00 N ATOM 81 CA ILE A 6 -13.496 -9.657 7.539 1.00 0.00 C ATOM 82 C ILE A 6 -14.169 -8.740 8.561 1.00 0.00 C ATOM 83 O ILE A 6 -15.149 -9.127 9.197 1.00 0.00 O ATOM 84 CB ILE A 6 -12.064 -10.050 7.914 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.417 -10.884 6.808 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.030 -10.765 9.266 1.00 0.00 C ATOM 87 CD1 ILE A 6 -11.835 -12.353 6.913 1.00 0.00 C ATOM 0 H ILE A 6 -12.711 -8.439 6.025 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.065 -10.587 7.522 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.474 -9.139 8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.705 -10.489 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.332 -10.805 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.002 -11.034 9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.425 -10.104 10.037 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.639 -11.668 9.216 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.361 -12.924 6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.524 -12.752 7.879 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.918 -12.431 6.821 1.00 0.00 H new ATOM 99 N SER A 7 -13.619 -7.542 8.687 1.00 0.00 N ATOM 100 CA SER A 7 -14.155 -6.566 9.621 1.00 0.00 C ATOM 101 C SER A 7 -14.004 -5.155 9.048 1.00 0.00 C ATOM 102 O SER A 7 -13.250 -4.943 8.099 1.00 0.00 O ATOM 103 CB SER A 7 -13.460 -6.665 10.980 1.00 0.00 C ATOM 104 OG SER A 7 -12.066 -6.933 10.848 1.00 0.00 O ATOM 0 H SER A 7 -12.807 -7.224 8.158 1.00 0.00 H new ATOM 0 HA SER A 7 -15.214 -6.779 9.769 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.600 -5.733 11.528 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.927 -7.454 11.569 1.00 0.00 H new ATOM 0 HG SER A 7 -11.658 -6.987 11.737 1.00 0.00 H new ATOM 110 N ASP A 8 -14.732 -4.226 9.650 1.00 0.00 N ATOM 111 CA ASP A 8 -14.688 -2.841 9.211 1.00 0.00 C ATOM 112 C ASP A 8 -14.559 -1.928 10.433 1.00 0.00 C ATOM 113 O ASP A 8 -15.550 -1.638 11.103 1.00 0.00 O ATOM 114 CB ASP A 8 -15.969 -2.458 8.468 1.00 0.00 C ATOM 115 CG ASP A 8 -17.255 -2.582 9.286 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.960 -1.590 9.523 1.00 0.00 O ATOM 117 OD2 ASP A 8 -17.527 -3.775 9.695 1.00 0.00 O ATOM 0 H ASP A 8 -15.355 -4.405 10.437 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.835 -2.726 8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.875 -1.429 8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.058 -3.086 7.582 1.00 0.00 H new ATOM 123 N ARG A 9 -13.331 -1.500 10.685 1.00 0.00 N ATOM 124 CA ARG A 9 -13.061 -0.626 11.814 1.00 0.00 C ATOM 125 C ARG A 9 -12.965 0.828 11.349 1.00 0.00 C ATOM 126 O ARG A 9 -12.648 1.092 10.190 1.00 0.00 O ATOM 127 CB ARG A 9 -11.758 -1.018 12.514 1.00 0.00 C ATOM 128 CG ARG A 9 -12.027 -1.958 13.689 1.00 0.00 C ATOM 129 CD ARG A 9 -11.490 -1.371 14.996 1.00 0.00 C ATOM 130 NE ARG A 9 -10.849 -2.432 15.803 1.00 0.00 N ATOM 131 CZ ARG A 9 -11.517 -3.252 16.643 1.00 0.00 C ATOM 132 NH1 ARG A 9 -12.854 -3.138 16.793 1.00 0.00 N ATOM 133 NH2 ARG A 9 -10.842 -4.166 17.316 1.00 0.00 N ATOM 0 H ARG A 9 -12.512 -1.742 10.127 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.885 -0.731 12.519 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.090 -1.503 11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.249 -0.122 12.870 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.099 -2.135 13.779 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.559 -2.924 13.501 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.770 -0.582 14.781 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.303 -0.915 15.560 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.839 -2.552 15.720 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.367 -2.429 16.270 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.351 -3.761 17.429 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.832 -4.244 17.197 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.331 -4.793 17.955 1.00 0.00 H new ATOM 146 N ASN A 10 -13.245 1.732 12.276 1.00 0.00 N ATOM 147 CA ASN A 10 -13.194 3.152 11.975 1.00 0.00 C ATOM 148 C ASN A 10 -12.422 3.876 13.079 1.00 0.00 C ATOM 149 O ASN A 10 -12.679 3.663 14.263 1.00 0.00 O ATOM 150 CB ASN A 10 -14.600 3.752 11.910 1.00 0.00 C ATOM 151 CG ASN A 10 -14.553 5.276 12.038 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.654 5.939 11.549 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.570 5.793 12.724 1.00 0.00 N ATOM 0 H ASN A 10 -13.508 1.508 13.236 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.704 3.274 11.009 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.073 3.477 10.967 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.214 3.335 12.708 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.629 6.801 12.866 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.290 5.181 13.107 1.00 0.00 H new ATOM 160 N ASN A 11 -11.491 4.717 12.653 1.00 0.00 N ATOM 161 CA ASN A 11 -10.679 5.474 13.590 1.00 0.00 C ATOM 162 C ASN A 11 -10.736 6.959 13.226 1.00 0.00 C ATOM 163 O ASN A 11 -9.934 7.435 12.426 1.00 0.00 O ATOM 164 CB ASN A 11 -9.216 5.029 13.537 1.00 0.00 C ATOM 165 CG ASN A 11 -9.078 3.553 13.911 1.00 0.00 C ATOM 166 OD1 ASN A 11 -8.956 3.187 15.068 1.00 0.00 O ATOM 167 ND2 ASN A 11 -9.104 2.725 12.870 1.00 0.00 N ATOM 0 H ASN A 11 -11.281 4.891 11.670 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.072 5.301 14.592 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.819 5.193 12.535 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.622 5.638 14.219 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.019 1.719 13.016 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.209 3.096 11.926 1.00 0.00 H new ATOM 174 N PRO A 12 -11.718 7.666 13.847 1.00 0.00 N ATOM 175 CA PRO A 12 -11.889 9.087 13.595 1.00 0.00 C ATOM 176 C PRO A 12 -10.806 9.904 14.302 1.00 0.00 C ATOM 177 O PRO A 12 -10.297 10.878 13.748 1.00 0.00 O ATOM 178 CB PRO A 12 -13.292 9.406 14.089 1.00 0.00 C ATOM 179 CG PRO A 12 -13.677 8.267 15.017 1.00 0.00 C ATOM 180 CD PRO A 12 -12.687 7.135 14.801 1.00 0.00 C ATOM 0 HA PRO A 12 -11.783 9.344 12.541 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.313 10.361 14.614 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.991 9.484 13.256 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.658 8.598 16.055 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.693 7.931 14.808 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.205 6.847 15.735 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.181 6.246 14.410 1.00 0.00 H new ATOM 188 N LEU A 13 -10.486 9.478 15.515 1.00 0.00 N ATOM 189 CA LEU A 13 -9.472 10.158 16.304 1.00 0.00 C ATOM 190 C LEU A 13 -8.276 10.493 15.409 1.00 0.00 C ATOM 191 O LEU A 13 -8.013 11.662 15.132 1.00 0.00 O ATOM 192 CB LEU A 13 -9.105 9.327 17.535 1.00 0.00 C ATOM 193 CG LEU A 13 -10.220 9.120 18.560 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.848 7.733 18.416 1.00 0.00 C ATOM 195 CD2 LEU A 13 -9.712 9.374 19.982 1.00 0.00 C ATOM 0 H LEU A 13 -10.911 8.671 15.971 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.858 11.102 16.689 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.761 8.349 17.199 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.263 9.806 18.035 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.005 9.850 18.362 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.638 7.613 19.157 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.269 7.626 17.416 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.085 6.970 18.572 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.525 9.220 20.692 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.899 8.684 20.206 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.350 10.399 20.061 1.00 0.00 H new ATOM 207 N LEU A 14 -7.585 9.446 14.983 1.00 0.00 N ATOM 208 CA LEU A 14 -6.423 9.614 14.126 1.00 0.00 C ATOM 209 C LEU A 14 -6.885 10.006 12.720 1.00 0.00 C ATOM 210 O LEU A 14 -6.083 10.456 11.903 1.00 0.00 O ATOM 211 CB LEU A 14 -5.547 8.362 14.159 1.00 0.00 C ATOM 212 CG LEU A 14 -4.819 8.086 15.477 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.533 6.592 15.642 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.548 8.929 15.588 1.00 0.00 C ATOM 0 H LEU A 14 -7.807 8.478 15.215 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.793 10.424 14.493 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.171 7.500 13.924 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.803 8.442 13.366 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.473 8.381 16.297 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.015 6.423 16.586 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.472 6.039 15.639 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.907 6.248 14.818 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.050 8.714 16.533 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.879 8.688 14.762 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.808 9.987 15.548 1.00 0.00 H new ATOM 226 N GLN A 15 -8.175 9.821 12.483 1.00 0.00 N ATOM 227 CA GLN A 15 -8.752 10.149 11.191 1.00 0.00 C ATOM 228 C GLN A 15 -8.333 9.115 10.145 1.00 0.00 C ATOM 229 O GLN A 15 -8.023 9.467 9.007 1.00 0.00 O ATOM 230 CB GLN A 15 -8.355 11.561 10.756 1.00 0.00 C ATOM 231 CG GLN A 15 -9.574 12.487 10.723 1.00 0.00 C ATOM 232 CD GLN A 15 -9.251 13.841 11.358 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.114 14.853 10.690 1.00 0.00 O ATOM 234 NE2 GLN A 15 -9.136 13.803 12.683 1.00 0.00 N ATOM 0 H GLN A 15 -8.837 9.448 13.164 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.838 10.124 11.283 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.609 11.961 11.442 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.894 11.525 9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.897 12.632 9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.404 12.021 11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.263 12.922 13.181 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.921 14.655 13.201 1.00 0.00 H new ATOM 243 N ARG A 16 -8.338 7.859 10.565 1.00 0.00 N ATOM 244 CA ARG A 16 -7.962 6.770 9.679 1.00 0.00 C ATOM 245 C ARG A 16 -9.031 5.676 9.698 1.00 0.00 C ATOM 246 O ARG A 16 -9.835 5.605 10.626 1.00 0.00 O ATOM 247 CB ARG A 16 -6.616 6.167 10.086 1.00 0.00 C ATOM 248 CG ARG A 16 -5.542 7.252 10.201 1.00 0.00 C ATOM 249 CD ARG A 16 -4.297 6.878 9.395 1.00 0.00 C ATOM 250 NE ARG A 16 -3.202 6.483 10.309 1.00 0.00 N ATOM 251 CZ ARG A 16 -3.048 5.241 10.814 1.00 0.00 C ATOM 252 NH1 ARG A 16 -3.920 4.260 10.499 1.00 0.00 N ATOM 253 NH2 ARG A 16 -2.032 5.000 11.623 1.00 0.00 N ATOM 0 H ARG A 16 -8.597 7.570 11.508 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.874 7.178 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.719 5.649 11.040 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.309 5.423 9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.940 8.202 9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.273 7.393 11.248 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.527 6.058 8.714 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.983 7.723 8.782 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.521 7.194 10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.703 4.455 9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.796 3.324 10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.378 5.747 11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.901 4.067 12.013 1.00 0.00 H new ATOM 266 N ARG A 17 -9.005 4.849 8.664 1.00 0.00 N ATOM 267 CA ARG A 17 -9.961 3.761 8.551 1.00 0.00 C ATOM 268 C ARG A 17 -9.239 2.448 8.239 1.00 0.00 C ATOM 269 O ARG A 17 -8.469 2.372 7.283 1.00 0.00 O ATOM 270 CB ARG A 17 -10.990 4.043 7.453 1.00 0.00 C ATOM 271 CG ARG A 17 -12.242 3.186 7.642 1.00 0.00 C ATOM 272 CD ARG A 17 -12.972 2.980 6.313 1.00 0.00 C ATOM 273 NE ARG A 17 -14.432 2.905 6.544 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.204 3.965 6.865 1.00 0.00 C ATOM 275 NH1 ARG A 17 -14.659 5.194 6.998 1.00 0.00 N ATOM 276 NH2 ARG A 17 -16.498 3.783 7.049 1.00 0.00 N ATOM 0 H ARG A 17 -8.336 4.910 7.896 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.479 3.676 9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.262 5.098 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.550 3.840 6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.965 2.219 8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.910 3.665 8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.745 3.801 5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.624 2.064 5.835 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.884 1.995 6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.658 5.326 6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.249 5.990 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.901 2.852 6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.095 4.574 7.292 1.00 0.00 H new ATOM 289 N GLU A 18 -9.513 1.449 9.064 1.00 0.00 N ATOM 290 CA GLU A 18 -8.899 0.144 8.888 1.00 0.00 C ATOM 291 C GLU A 18 -9.968 -0.912 8.603 1.00 0.00 C ATOM 292 O GLU A 18 -10.839 -1.159 9.437 1.00 0.00 O ATOM 293 CB GLU A 18 -8.063 -0.238 10.112 1.00 0.00 C ATOM 294 CG GLU A 18 -6.623 0.259 9.968 1.00 0.00 C ATOM 295 CD GLU A 18 -5.713 -0.391 11.012 1.00 0.00 C ATOM 296 OE1 GLU A 18 -5.530 -1.617 10.997 1.00 0.00 O ATOM 297 OE2 GLU A 18 -5.185 0.425 11.861 1.00 0.00 O ATOM 0 H GLU A 18 -10.152 1.517 9.856 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.227 0.193 8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.511 0.188 11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.067 -1.321 10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.255 0.033 8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.595 1.343 10.080 1.00 0.00 H new ATOM 305 N ILE A 19 -9.867 -1.508 7.424 1.00 0.00 N ATOM 306 CA ILE A 19 -10.815 -2.532 7.019 1.00 0.00 C ATOM 307 C ILE A 19 -10.059 -3.822 6.698 1.00 0.00 C ATOM 308 O ILE A 19 -9.170 -3.830 5.848 1.00 0.00 O ATOM 309 CB ILE A 19 -11.689 -2.028 5.868 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.429 -0.748 6.261 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.647 -3.119 5.389 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.593 -0.472 5.306 1.00 0.00 C ATOM 0 H ILE A 19 -9.143 -1.301 6.736 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.502 -2.759 7.834 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.039 -1.779 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.804 -0.839 7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.737 0.094 6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.256 -2.735 4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.075 -3.979 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.294 -3.422 6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.102 0.443 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.212 -0.357 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.295 -1.305 5.338 1.00 0.00 H new ATOM 324 N LYS A 20 -10.440 -4.883 7.394 1.00 0.00 N ATOM 325 CA LYS A 20 -9.809 -6.175 7.194 1.00 0.00 C ATOM 326 C LYS A 20 -10.602 -6.970 6.154 1.00 0.00 C ATOM 327 O LYS A 20 -11.832 -6.984 6.184 1.00 0.00 O ATOM 328 CB LYS A 20 -9.645 -6.905 8.529 1.00 0.00 C ATOM 329 CG LYS A 20 -9.140 -8.333 8.317 1.00 0.00 C ATOM 330 CD LYS A 20 -7.641 -8.433 8.605 1.00 0.00 C ATOM 331 CE LYS A 20 -6.822 -7.854 7.449 1.00 0.00 C ATOM 332 NZ LYS A 20 -5.469 -8.455 7.422 1.00 0.00 N ATOM 0 H LYS A 20 -11.178 -4.874 8.098 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.801 -6.048 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.946 -6.359 9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.600 -6.928 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.685 -9.016 8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.338 -8.644 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.407 -7.898 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.366 -9.476 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.330 -8.045 6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.744 -6.772 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.795 -7.775 7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.177 -8.696 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.484 -9.317 6.840 1.00 0.00 H new ATOM 345 N PHE A 21 -9.866 -7.611 5.258 1.00 0.00 N ATOM 346 CA PHE A 21 -10.485 -8.405 4.210 1.00 0.00 C ATOM 347 C PHE A 21 -9.494 -9.419 3.634 1.00 0.00 C ATOM 348 O PHE A 21 -8.346 -9.487 4.068 1.00 0.00 O ATOM 349 CB PHE A 21 -10.907 -7.436 3.105 1.00 0.00 C ATOM 350 CG PHE A 21 -9.773 -7.046 2.154 1.00 0.00 C ATOM 351 CD1 PHE A 21 -8.811 -6.176 2.563 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.727 -7.571 0.900 1.00 0.00 C ATOM 353 CE1 PHE A 21 -7.759 -5.814 1.680 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.675 -7.209 0.017 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.714 -6.338 0.425 1.00 0.00 C ATOM 0 H PHE A 21 -8.846 -7.597 5.236 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.335 -8.956 4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.713 -7.888 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.311 -6.533 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.847 -5.760 3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.490 -8.263 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.995 -5.123 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.638 -7.626 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.915 -6.062 -0.247 1.00 0.00 H new ATOM 365 N THR A 22 -9.976 -10.182 2.665 1.00 0.00 N ATOM 366 CA THR A 22 -9.148 -11.190 2.024 1.00 0.00 C ATOM 367 C THR A 22 -9.259 -11.083 0.502 1.00 0.00 C ATOM 368 O THR A 22 -10.250 -10.572 -0.018 1.00 0.00 O ATOM 369 CB THR A 22 -9.563 -12.559 2.568 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.581 -12.850 3.559 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.392 -13.675 1.536 1.00 0.00 C ATOM 0 H THR A 22 -10.930 -10.123 2.308 1.00 0.00 H new ATOM 0 HA THR A 22 -8.093 -11.039 2.253 1.00 0.00 H new ATOM 0 HB THR A 22 -10.603 -12.521 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.774 -13.721 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.700 -14.625 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.008 -13.460 0.663 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.346 -13.736 1.236 1.00 0.00 H new ATOM 379 N VAL A 23 -8.228 -11.573 -0.171 1.00 0.00 N ATOM 380 CA VAL A 23 -8.198 -11.538 -1.623 1.00 0.00 C ATOM 381 C VAL A 23 -7.650 -12.866 -2.149 1.00 0.00 C ATOM 382 O VAL A 23 -6.608 -13.336 -1.695 1.00 0.00 O ATOM 383 CB VAL A 23 -7.392 -10.328 -2.101 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.087 -10.193 -1.313 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.119 -10.410 -3.604 1.00 0.00 C ATOM 0 H VAL A 23 -7.408 -11.996 0.263 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.205 -11.420 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.988 -9.434 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.533 -9.326 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.313 -10.066 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.484 -11.091 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.545 -9.538 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.552 -11.315 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.065 -10.435 -4.145 1.00 0.00 H new ATOM 395 N SER A 24 -8.377 -13.435 -3.100 1.00 0.00 N ATOM 396 CA SER A 24 -7.977 -14.700 -3.692 1.00 0.00 C ATOM 397 C SER A 24 -7.951 -14.578 -5.217 1.00 0.00 C ATOM 398 O SER A 24 -8.622 -13.719 -5.786 1.00 0.00 O ATOM 399 CB SER A 24 -8.916 -15.830 -3.265 1.00 0.00 C ATOM 400 OG SER A 24 -9.117 -16.779 -4.308 1.00 0.00 O ATOM 0 H SER A 24 -9.241 -13.043 -3.475 1.00 0.00 H new ATOM 0 HA SER A 24 -6.976 -14.943 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.503 -16.334 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.877 -15.410 -2.967 1.00 0.00 H new ATOM 0 HG SER A 24 -9.718 -16.401 -4.983 1.00 0.00 H new ATOM 406 N PHE A 25 -7.171 -15.452 -5.836 1.00 0.00 N ATOM 407 CA PHE A 25 -7.050 -15.454 -7.283 1.00 0.00 C ATOM 408 C PHE A 25 -6.629 -16.832 -7.797 1.00 0.00 C ATOM 409 O PHE A 25 -6.566 -17.792 -7.030 1.00 0.00 O ATOM 410 CB PHE A 25 -5.966 -14.436 -7.643 1.00 0.00 C ATOM 411 CG PHE A 25 -4.629 -14.676 -6.939 1.00 0.00 C ATOM 412 CD1 PHE A 25 -4.493 -14.380 -5.619 1.00 0.00 C ATOM 413 CD2 PHE A 25 -3.577 -15.186 -7.633 1.00 0.00 C ATOM 414 CE1 PHE A 25 -3.252 -14.603 -4.965 1.00 0.00 C ATOM 415 CE2 PHE A 25 -2.336 -15.408 -6.980 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.200 -15.112 -5.659 1.00 0.00 C ATOM 0 H PHE A 25 -6.616 -16.164 -5.361 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.009 -15.205 -7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.806 -14.457 -8.721 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.323 -13.437 -7.393 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.329 -13.975 -5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.685 -15.422 -8.681 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.144 -14.368 -3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.500 -15.812 -7.532 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.256 -15.281 -5.162 1.00 0.00 H new ATOM 426 N ASP A 26 -6.351 -16.886 -9.092 1.00 0.00 N ATOM 427 CA ASP A 26 -5.938 -18.132 -9.716 1.00 0.00 C ATOM 428 C ASP A 26 -4.536 -17.961 -10.305 1.00 0.00 C ATOM 429 O ASP A 26 -4.389 -17.663 -11.489 1.00 0.00 O ATOM 430 CB ASP A 26 -6.885 -18.517 -10.854 1.00 0.00 C ATOM 431 CG ASP A 26 -8.369 -18.272 -10.573 1.00 0.00 C ATOM 432 OD1 ASP A 26 -8.905 -17.194 -10.872 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.988 -19.255 -10.014 1.00 0.00 O ATOM 0 H ASP A 26 -6.404 -16.088 -9.725 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.952 -18.912 -8.955 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.603 -17.958 -11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.744 -19.573 -11.082 1.00 0.00 H new ATOM 439 N ALA A 27 -3.542 -18.157 -9.451 1.00 0.00 N ATOM 440 CA ALA A 27 -2.157 -18.029 -9.872 1.00 0.00 C ATOM 441 C ALA A 27 -1.893 -16.586 -10.307 1.00 0.00 C ATOM 442 O ALA A 27 -2.812 -15.879 -10.720 1.00 0.00 O ATOM 443 CB ALA A 27 -1.867 -19.036 -10.985 1.00 0.00 C ATOM 0 H ALA A 27 -3.668 -18.404 -8.469 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.482 -18.253 -9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.828 -18.940 -11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.042 -20.047 -10.616 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.524 -18.840 -11.833 1.00 0.00 H new ATOM 449 N ALA A 28 -0.633 -16.191 -10.200 1.00 0.00 N ATOM 450 CA ALA A 28 -0.236 -14.845 -10.578 1.00 0.00 C ATOM 451 C ALA A 28 -1.109 -13.832 -9.833 1.00 0.00 C ATOM 452 O ALA A 28 -2.243 -13.572 -10.233 1.00 0.00 O ATOM 453 CB ALA A 28 -0.333 -14.691 -12.097 1.00 0.00 C ATOM 0 H ALA A 28 0.126 -16.779 -9.857 1.00 0.00 H new ATOM 0 HA ALA A 28 0.800 -14.658 -10.297 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.035 -13.681 -12.380 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.327 -15.413 -12.579 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.360 -14.869 -12.416 1.00 0.00 H new ATOM 459 N THR A 29 -0.548 -13.289 -8.763 1.00 0.00 N ATOM 460 CA THR A 29 -1.261 -12.311 -7.959 1.00 0.00 C ATOM 461 C THR A 29 -1.103 -10.912 -8.558 1.00 0.00 C ATOM 462 O THR A 29 -0.065 -10.594 -9.138 1.00 0.00 O ATOM 463 CB THR A 29 -0.748 -12.419 -6.521 1.00 0.00 C ATOM 464 OG1 THR A 29 -1.843 -11.964 -5.728 1.00 0.00 O ATOM 465 CG2 THR A 29 0.369 -11.418 -6.221 1.00 0.00 C ATOM 0 H THR A 29 0.392 -13.508 -8.434 1.00 0.00 H new ATOM 0 HA THR A 29 -2.333 -12.508 -7.953 1.00 0.00 H new ATOM 0 HB THR A 29 -0.387 -13.431 -6.339 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.351 -12.735 -5.399 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.697 -11.537 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.209 -11.599 -6.891 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.002 -10.404 -6.369 1.00 0.00 H new ATOM 473 N PRO A 30 -2.175 -10.091 -8.391 1.00 0.00 N ATOM 474 CA PRO A 30 -2.165 -8.734 -8.908 1.00 0.00 C ATOM 475 C PRO A 30 -1.291 -7.824 -8.043 1.00 0.00 C ATOM 476 O PRO A 30 -0.461 -8.304 -7.272 1.00 0.00 O ATOM 477 CB PRO A 30 -3.624 -8.311 -8.929 1.00 0.00 C ATOM 478 CG PRO A 30 -4.349 -9.265 -7.993 1.00 0.00 C ATOM 479 CD PRO A 30 -3.419 -10.433 -7.709 1.00 0.00 C ATOM 0 HA PRO A 30 -1.730 -8.667 -9.905 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.736 -7.279 -8.598 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.033 -8.368 -9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.620 -8.759 -7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.275 -9.616 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.261 -10.562 -6.638 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.832 -11.369 -8.085 1.00 0.00 H new ATOM 487 N SER A 31 -1.507 -6.526 -8.198 1.00 0.00 N ATOM 488 CA SER A 31 -0.749 -5.545 -7.440 1.00 0.00 C ATOM 489 C SER A 31 -1.656 -4.861 -6.415 1.00 0.00 C ATOM 490 O SER A 31 -2.843 -5.170 -6.328 1.00 0.00 O ATOM 491 CB SER A 31 -0.116 -4.503 -8.366 1.00 0.00 C ATOM 492 OG SER A 31 0.353 -5.084 -9.581 1.00 0.00 O ATOM 0 H SER A 31 -2.196 -6.131 -8.838 1.00 0.00 H new ATOM 0 HA SER A 31 0.054 -6.064 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.848 -3.728 -8.593 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.714 -4.017 -7.852 1.00 0.00 H new ATOM 0 HG SER A 31 0.748 -4.387 -10.146 1.00 0.00 H new ATOM 498 N ILE A 32 -1.062 -3.944 -5.666 1.00 0.00 N ATOM 499 CA ILE A 32 -1.802 -3.215 -4.650 1.00 0.00 C ATOM 500 C ILE A 32 -2.795 -2.271 -5.328 1.00 0.00 C ATOM 501 O ILE A 32 -3.995 -2.327 -5.059 1.00 0.00 O ATOM 502 CB ILE A 32 -0.841 -2.510 -3.690 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.379 -3.385 -3.395 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.561 -2.079 -2.411 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.073 -2.941 -2.105 1.00 0.00 C ATOM 0 H ILE A 32 -0.077 -3.689 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.383 -3.902 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.477 -1.604 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.071 -4.427 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.081 -3.330 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.855 -1.581 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.369 -1.392 -2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.972 -2.956 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.937 -3.579 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.401 -1.906 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.376 -3.021 -1.271 1.00 0.00 H new ATOM 517 N LYS A 33 -2.261 -1.423 -6.196 1.00 0.00 N ATOM 518 CA LYS A 33 -3.086 -0.468 -6.916 1.00 0.00 C ATOM 519 C LYS A 33 -4.089 -1.223 -7.788 1.00 0.00 C ATOM 520 O LYS A 33 -5.193 -0.738 -8.034 1.00 0.00 O ATOM 521 CB LYS A 33 -2.212 0.516 -7.695 1.00 0.00 C ATOM 522 CG LYS A 33 -3.068 1.549 -8.429 1.00 0.00 C ATOM 523 CD LYS A 33 -3.497 1.030 -9.803 1.00 0.00 C ATOM 524 CE LYS A 33 -2.559 1.543 -10.898 1.00 0.00 C ATOM 525 NZ LYS A 33 -3.279 2.460 -11.809 1.00 0.00 N ATOM 0 H LYS A 33 -1.266 -1.378 -6.417 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.663 0.139 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.531 1.023 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.597 -0.028 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.950 1.784 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.506 2.475 -8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.498 -0.060 -9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.518 1.349 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.712 2.060 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.155 0.703 -11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.628 2.799 -12.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.073 1.956 -12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.643 3.271 -11.269 1.00 0.00 H new ATOM 538 N ASP A 34 -3.671 -2.399 -8.233 1.00 0.00 N ATOM 539 CA ASP A 34 -4.520 -3.226 -9.074 1.00 0.00 C ATOM 540 C ASP A 34 -5.573 -3.917 -8.205 1.00 0.00 C ATOM 541 O ASP A 34 -6.666 -4.226 -8.677 1.00 0.00 O ATOM 542 CB ASP A 34 -3.705 -4.310 -9.782 1.00 0.00 C ATOM 543 CG ASP A 34 -3.848 -4.336 -11.305 1.00 0.00 C ATOM 544 OD1 ASP A 34 -3.284 -3.490 -12.014 1.00 0.00 O ATOM 545 OD2 ASP A 34 -4.585 -5.289 -11.768 1.00 0.00 O ATOM 0 H ASP A 34 -2.756 -2.799 -8.027 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.987 -2.582 -9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.653 -4.173 -9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.002 -5.282 -9.388 1.00 0.00 H new ATOM 551 N VAL A 35 -5.205 -4.140 -6.952 1.00 0.00 N ATOM 552 CA VAL A 35 -6.105 -4.789 -6.014 1.00 0.00 C ATOM 553 C VAL A 35 -7.092 -3.757 -5.463 1.00 0.00 C ATOM 554 O VAL A 35 -8.304 -3.944 -5.550 1.00 0.00 O ATOM 555 CB VAL A 35 -5.300 -5.490 -4.918 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.168 -5.760 -3.687 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.673 -6.785 -5.441 1.00 0.00 C ATOM 0 H VAL A 35 -4.297 -3.883 -6.565 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.688 -5.561 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.492 -4.823 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.571 -6.259 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.545 -4.816 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.007 -6.398 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.106 -7.263 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.460 -7.458 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.006 -6.556 -6.272 1.00 0.00 H new ATOM 567 N LYS A 36 -6.535 -2.691 -4.907 1.00 0.00 N ATOM 568 CA LYS A 36 -7.351 -1.629 -4.342 1.00 0.00 C ATOM 569 C LYS A 36 -8.390 -1.187 -5.375 1.00 0.00 C ATOM 570 O LYS A 36 -9.447 -0.668 -5.015 1.00 0.00 O ATOM 571 CB LYS A 36 -6.469 -0.490 -3.830 1.00 0.00 C ATOM 572 CG LYS A 36 -5.717 0.181 -4.982 1.00 0.00 C ATOM 573 CD LYS A 36 -6.554 1.299 -5.606 1.00 0.00 C ATOM 574 CE LYS A 36 -6.018 2.675 -5.205 1.00 0.00 C ATOM 575 NZ LYS A 36 -5.734 3.490 -6.407 1.00 0.00 N ATOM 0 H LYS A 36 -5.529 -2.540 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.899 -1.991 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.084 0.247 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.756 -0.876 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.774 0.588 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.471 -0.561 -5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.544 1.203 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.592 1.202 -5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.746 3.186 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.110 2.560 -4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.950 4.488 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.730 3.397 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.323 3.159 -7.198 1.00 0.00 H new ATOM 588 N MET A 37 -8.054 -1.405 -6.638 1.00 0.00 N ATOM 589 CA MET A 37 -8.944 -1.035 -7.724 1.00 0.00 C ATOM 590 C MET A 37 -10.345 -1.609 -7.505 1.00 0.00 C ATOM 591 O MET A 37 -11.337 -0.886 -7.596 1.00 0.00 O ATOM 592 CB MET A 37 -8.380 -1.558 -9.047 1.00 0.00 C ATOM 593 CG MET A 37 -7.308 -0.616 -9.597 1.00 0.00 C ATOM 594 SD MET A 37 -7.904 0.195 -11.070 1.00 0.00 S ATOM 595 CE MET A 37 -8.648 1.647 -10.347 1.00 0.00 C ATOM 0 H MET A 37 -7.177 -1.834 -6.933 1.00 0.00 H new ATOM 0 HA MET A 37 -9.017 0.052 -7.754 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.955 -2.551 -8.898 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.185 -1.662 -9.774 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.045 0.127 -8.844 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.401 -1.177 -9.823 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.072 2.269 -11.135 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.437 1.347 -9.657 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.890 2.213 -9.806 1.00 0.00 H new ATOM 605 N LYS A 38 -10.383 -2.902 -7.220 1.00 0.00 N ATOM 606 CA LYS A 38 -11.646 -3.580 -6.987 1.00 0.00 C ATOM 607 C LYS A 38 -12.198 -3.165 -5.622 1.00 0.00 C ATOM 608 O LYS A 38 -13.369 -2.803 -5.506 1.00 0.00 O ATOM 609 CB LYS A 38 -11.481 -5.093 -7.148 1.00 0.00 C ATOM 610 CG LYS A 38 -10.373 -5.419 -8.152 1.00 0.00 C ATOM 611 CD LYS A 38 -9.073 -5.791 -7.433 1.00 0.00 C ATOM 612 CE LYS A 38 -8.464 -7.063 -8.025 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.317 -6.933 -9.492 1.00 0.00 N ATOM 0 H LYS A 38 -9.559 -3.498 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.381 -3.281 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.246 -5.542 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.421 -5.532 -7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.688 -6.244 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.201 -4.560 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.360 -4.970 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.270 -5.938 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.491 -7.253 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.097 -7.919 -7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.525 -7.524 -9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.194 -7.244 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.129 -5.940 -9.735 1.00 0.00 H new ATOM 626 N LEU A 39 -11.331 -3.232 -4.623 1.00 0.00 N ATOM 627 CA LEU A 39 -11.718 -2.866 -3.270 1.00 0.00 C ATOM 628 C LEU A 39 -12.318 -1.459 -3.278 1.00 0.00 C ATOM 629 O LEU A 39 -13.227 -1.164 -2.504 1.00 0.00 O ATOM 630 CB LEU A 39 -10.534 -3.025 -2.313 1.00 0.00 C ATOM 631 CG LEU A 39 -10.111 -4.463 -2.003 1.00 0.00 C ATOM 632 CD1 LEU A 39 -8.641 -4.691 -2.361 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.408 -4.819 -0.545 1.00 0.00 C ATOM 0 H LEU A 39 -10.362 -3.534 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.491 -3.540 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.678 -2.498 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.782 -2.530 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.702 -5.135 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.366 -5.720 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.492 -4.505 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.016 -4.011 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.098 -5.846 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.861 -4.144 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.477 -4.721 -0.357 1.00 0.00 H new ATOM 645 N VAL A 40 -11.783 -0.628 -4.160 1.00 0.00 N ATOM 646 CA VAL A 40 -12.254 0.741 -4.279 1.00 0.00 C ATOM 647 C VAL A 40 -13.764 0.737 -4.528 1.00 0.00 C ATOM 648 O VAL A 40 -14.491 1.556 -3.969 1.00 0.00 O ATOM 649 CB VAL A 40 -11.470 1.473 -5.371 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.300 2.605 -5.977 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.138 1.997 -4.831 1.00 0.00 C ATOM 0 H VAL A 40 -11.028 -0.876 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.079 1.286 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.252 0.757 -6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.719 3.108 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.209 2.195 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.564 3.320 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.601 2.513 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.325 2.690 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.538 1.162 -4.470 1.00 0.00 H new ATOM 661 N ALA A 41 -14.190 -0.195 -5.368 1.00 0.00 N ATOM 662 CA ALA A 41 -15.600 -0.316 -5.698 1.00 0.00 C ATOM 663 C ALA A 41 -16.345 -0.936 -4.513 1.00 0.00 C ATOM 664 O ALA A 41 -17.432 -0.485 -4.157 1.00 0.00 O ATOM 665 CB ALA A 41 -15.755 -1.139 -6.979 1.00 0.00 C ATOM 0 H ALA A 41 -13.584 -0.873 -5.830 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.036 0.665 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.812 -1.230 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.232 -0.642 -7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.331 -2.132 -6.827 1.00 0.00 H new ATOM 671 N VAL A 42 -15.730 -1.958 -3.938 1.00 0.00 N ATOM 672 CA VAL A 42 -16.321 -2.643 -2.802 1.00 0.00 C ATOM 673 C VAL A 42 -16.500 -1.651 -1.651 1.00 0.00 C ATOM 674 O VAL A 42 -17.588 -1.541 -1.085 1.00 0.00 O ATOM 675 CB VAL A 42 -15.468 -3.855 -2.420 1.00 0.00 C ATOM 676 CG1 VAL A 42 -16.128 -4.657 -1.295 1.00 0.00 C ATOM 677 CG2 VAL A 42 -15.195 -4.739 -3.637 1.00 0.00 C ATOM 0 H VAL A 42 -14.828 -2.328 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.309 -3.026 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.510 -3.488 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.502 -5.513 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -16.247 -4.022 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.106 -5.008 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.587 -5.593 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.140 -5.093 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.663 -4.162 -4.394 1.00 0.00 H new ATOM 687 N LEU A 43 -15.417 -0.956 -1.337 1.00 0.00 N ATOM 688 CA LEU A 43 -15.442 0.023 -0.263 1.00 0.00 C ATOM 689 C LEU A 43 -16.178 1.277 -0.739 1.00 0.00 C ATOM 690 O LEU A 43 -16.828 1.958 0.054 1.00 0.00 O ATOM 691 CB LEU A 43 -14.025 0.297 0.245 1.00 0.00 C ATOM 692 CG LEU A 43 -13.237 -0.923 0.726 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.942 -0.500 1.423 1.00 0.00 C ATOM 694 CD2 LEU A 43 -14.102 -1.817 1.617 1.00 0.00 C ATOM 0 H LEU A 43 -14.517 -1.051 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.993 -0.365 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.460 0.777 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.087 1.012 1.066 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.955 -1.513 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.401 -1.386 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.321 0.064 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.180 0.124 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.518 -2.677 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.435 -1.251 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.970 -2.161 1.054 1.00 0.00 H new ATOM 706 N ASN A 44 -16.052 1.545 -2.031 1.00 0.00 N ATOM 707 CA ASN A 44 -16.697 2.705 -2.620 1.00 0.00 C ATOM 708 C ASN A 44 -16.244 3.966 -1.883 1.00 0.00 C ATOM 709 O ASN A 44 -17.069 4.774 -1.461 1.00 0.00 O ATOM 710 CB ASN A 44 -18.220 2.609 -2.501 1.00 0.00 C ATOM 711 CG ASN A 44 -18.909 3.355 -3.645 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.276 3.882 -4.546 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.235 3.371 -3.560 1.00 0.00 N ATOM 0 H ASN A 44 -15.513 0.978 -2.686 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.419 2.745 -3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.523 1.562 -2.510 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.540 3.025 -1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.786 3.844 -4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.702 2.910 -2.779 1.00 0.00 H new ATOM 720 N ALA A 45 -14.931 4.095 -1.751 1.00 0.00 N ATOM 721 CA ALA A 45 -14.357 5.244 -1.073 1.00 0.00 C ATOM 722 C ALA A 45 -13.491 6.033 -2.056 1.00 0.00 C ATOM 723 O ALA A 45 -13.503 5.761 -3.256 1.00 0.00 O ATOM 724 CB ALA A 45 -13.568 4.773 0.152 1.00 0.00 C ATOM 0 H ALA A 45 -14.249 3.422 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.143 5.911 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.137 5.635 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.235 4.245 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.769 4.103 -0.165 1.00 0.00 H new ATOM 730 N ASN A 46 -12.759 6.993 -1.513 1.00 0.00 N ATOM 731 CA ASN A 46 -11.887 7.823 -2.327 1.00 0.00 C ATOM 732 C ASN A 46 -10.660 7.010 -2.745 1.00 0.00 C ATOM 733 O ASN A 46 -9.712 6.871 -1.976 1.00 0.00 O ATOM 734 CB ASN A 46 -11.401 9.045 -1.546 1.00 0.00 C ATOM 735 CG ASN A 46 -11.166 10.234 -2.479 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.252 10.132 -3.692 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.866 11.367 -1.848 1.00 0.00 N ATOM 0 H ASN A 46 -12.751 7.216 -0.518 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.454 8.154 -3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.137 9.313 -0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.477 8.802 -1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.692 12.218 -2.383 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.810 11.384 -0.830 1.00 0.00 H new ATOM 744 N LYS A 47 -10.719 6.495 -3.965 1.00 0.00 N ATOM 745 CA LYS A 47 -9.625 5.699 -4.495 1.00 0.00 C ATOM 746 C LYS A 47 -8.343 6.536 -4.490 1.00 0.00 C ATOM 747 O LYS A 47 -7.241 5.990 -4.474 1.00 0.00 O ATOM 748 CB LYS A 47 -9.987 5.137 -5.870 1.00 0.00 C ATOM 749 CG LYS A 47 -10.165 6.261 -6.893 1.00 0.00 C ATOM 750 CD LYS A 47 -8.853 6.547 -7.627 1.00 0.00 C ATOM 751 CE LYS A 47 -8.383 5.320 -8.409 1.00 0.00 C ATOM 752 NZ LYS A 47 -7.625 5.731 -9.611 1.00 0.00 N ATOM 0 H LYS A 47 -11.507 6.614 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.443 4.831 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.205 4.456 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.907 4.556 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.936 5.984 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.509 7.165 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.989 7.387 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.087 6.840 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.757 4.694 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.242 4.717 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.313 4.886 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.234 6.309 -10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.794 6.287 -9.324 1.00 0.00 H new ATOM 765 N GLN A 48 -8.531 7.847 -4.505 1.00 0.00 N ATOM 766 CA GLN A 48 -7.404 8.764 -4.503 1.00 0.00 C ATOM 767 C GLN A 48 -6.577 8.587 -3.228 1.00 0.00 C ATOM 768 O GLN A 48 -5.391 8.266 -3.293 1.00 0.00 O ATOM 769 CB GLN A 48 -7.875 10.212 -4.654 1.00 0.00 C ATOM 770 CG GLN A 48 -8.260 10.515 -6.104 1.00 0.00 C ATOM 771 CD GLN A 48 -7.639 11.833 -6.572 1.00 0.00 C ATOM 772 OE1 GLN A 48 -7.789 12.874 -5.951 1.00 0.00 O ATOM 773 NE2 GLN A 48 -6.936 11.732 -7.695 1.00 0.00 N ATOM 0 H GLN A 48 -9.447 8.296 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.770 8.531 -5.359 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.730 10.390 -4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.084 10.891 -4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.927 9.702 -6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.345 10.568 -6.192 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.851 10.830 -8.164 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.482 12.556 -8.088 1.00 0.00 H new ATOM 782 N VAL A 49 -7.236 8.803 -2.099 1.00 0.00 N ATOM 783 CA VAL A 49 -6.577 8.671 -0.812 1.00 0.00 C ATOM 784 C VAL A 49 -6.914 7.306 -0.208 1.00 0.00 C ATOM 785 O VAL A 49 -7.388 7.224 0.924 1.00 0.00 O ATOM 786 CB VAL A 49 -6.965 9.839 0.097 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.279 11.132 -0.348 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.484 10.013 0.148 1.00 0.00 C ATOM 0 H VAL A 49 -8.220 9.069 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.494 8.715 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.621 9.608 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.572 11.946 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.197 11.003 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.578 11.370 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.733 10.850 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.861 10.211 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.942 9.103 0.535 1.00 0.00 H new ATOM 798 N LEU A 50 -6.657 6.268 -0.991 1.00 0.00 N ATOM 799 CA LEU A 50 -6.928 4.911 -0.548 1.00 0.00 C ATOM 800 C LEU A 50 -5.743 4.014 -0.913 1.00 0.00 C ATOM 801 O LEU A 50 -5.225 4.087 -2.026 1.00 0.00 O ATOM 802 CB LEU A 50 -8.266 4.422 -1.107 1.00 0.00 C ATOM 803 CG LEU A 50 -8.508 2.913 -1.042 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.976 2.606 -0.737 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.033 2.225 -2.323 1.00 0.00 C ATOM 0 H LEU A 50 -6.264 6.340 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.031 4.877 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.068 4.922 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.339 4.737 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.916 2.508 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.121 1.526 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.248 3.045 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.606 3.027 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.217 1.153 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.577 2.629 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.966 2.402 -2.457 1.00 0.00 H new ATOM 817 N VAL A 51 -5.350 3.189 0.046 1.00 0.00 N ATOM 818 CA VAL A 51 -4.236 2.279 -0.160 1.00 0.00 C ATOM 819 C VAL A 51 -4.403 1.060 0.750 1.00 0.00 C ATOM 820 O VAL A 51 -5.328 1.007 1.559 1.00 0.00 O ATOM 821 CB VAL A 51 -2.912 3.014 0.061 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.792 2.389 -0.774 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.055 4.506 -0.243 1.00 0.00 C ATOM 0 H VAL A 51 -5.783 3.132 0.968 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.224 1.917 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.644 2.911 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.862 2.930 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.664 1.345 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.051 2.446 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.100 5.004 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.358 4.638 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.809 4.940 0.413 1.00 0.00 H new ATOM 833 N VAL A 52 -3.494 0.111 0.586 1.00 0.00 N ATOM 834 CA VAL A 52 -3.529 -1.104 1.383 1.00 0.00 C ATOM 835 C VAL A 52 -2.408 -1.059 2.422 1.00 0.00 C ATOM 836 O VAL A 52 -1.367 -0.446 2.192 1.00 0.00 O ATOM 837 CB VAL A 52 -3.451 -2.330 0.470 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.692 -3.472 1.152 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.847 -2.781 0.038 1.00 0.00 C ATOM 0 H VAL A 52 -2.729 0.158 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.471 -1.179 1.926 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.899 -2.047 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.650 -4.332 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.679 -3.146 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.206 -3.752 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.763 -3.654 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.435 -3.038 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.339 -1.973 -0.503 1.00 0.00 H new ATOM 849 N ASP A 53 -2.658 -1.716 3.545 1.00 0.00 N ATOM 850 CA ASP A 53 -1.683 -1.760 4.621 1.00 0.00 C ATOM 851 C ASP A 53 -0.653 -2.852 4.326 1.00 0.00 C ATOM 852 O ASP A 53 0.547 -2.584 4.288 1.00 0.00 O ATOM 853 CB ASP A 53 -2.351 -2.089 5.958 1.00 0.00 C ATOM 854 CG ASP A 53 -2.346 -0.952 6.981 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.892 0.165 6.692 1.00 0.00 O ATOM 856 OD2 ASP A 53 -2.840 -1.253 8.134 1.00 0.00 O ATOM 0 H ASP A 53 -3.523 -2.223 3.733 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.209 -0.780 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.384 -2.382 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.849 -2.953 6.395 1.00 0.00 H new ATOM 862 N THR A 54 -1.159 -4.059 4.125 1.00 0.00 N ATOM 863 CA THR A 54 -0.297 -5.193 3.834 1.00 0.00 C ATOM 864 C THR A 54 -1.134 -6.414 3.448 1.00 0.00 C ATOM 865 O THR A 54 -2.326 -6.472 3.744 1.00 0.00 O ATOM 866 CB THR A 54 0.598 -5.430 5.052 1.00 0.00 C ATOM 867 OG1 THR A 54 1.785 -4.697 4.759 1.00 0.00 O ATOM 868 CG2 THR A 54 1.073 -6.881 5.156 1.00 0.00 C ATOM 0 H THR A 54 -2.155 -4.277 4.158 1.00 0.00 H new ATOM 0 HA THR A 54 0.344 -4.993 2.975 1.00 0.00 H new ATOM 0 HB THR A 54 0.056 -5.159 5.958 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.590 -3.737 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.704 -6.995 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.210 -7.541 5.240 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.644 -7.142 4.265 1.00 0.00 H new ATOM 876 N LEU A 55 -0.475 -7.359 2.793 1.00 0.00 N ATOM 877 CA LEU A 55 -1.145 -8.575 2.364 1.00 0.00 C ATOM 878 C LEU A 55 -0.265 -9.782 2.701 1.00 0.00 C ATOM 879 O LEU A 55 0.888 -9.622 3.096 1.00 0.00 O ATOM 880 CB LEU A 55 -1.524 -8.485 0.884 1.00 0.00 C ATOM 881 CG LEU A 55 -2.756 -9.284 0.457 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.872 -8.356 -0.025 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.391 -10.335 -0.594 1.00 0.00 C ATOM 0 H LEU A 55 0.514 -7.307 2.549 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.084 -8.703 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.691 -7.437 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.674 -8.822 0.291 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.135 -9.818 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.736 -8.950 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.157 -7.680 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.520 -7.776 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.285 -10.889 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.973 -9.842 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.655 -11.024 -0.180 1.00 0.00 H new ATOM 895 N ASP A 56 -0.844 -10.962 2.531 1.00 0.00 N ATOM 896 CA ASP A 56 -0.127 -12.194 2.812 1.00 0.00 C ATOM 897 C ASP A 56 -0.838 -13.360 2.122 1.00 0.00 C ATOM 898 O ASP A 56 -2.017 -13.607 2.369 1.00 0.00 O ATOM 899 CB ASP A 56 -0.096 -12.482 4.315 1.00 0.00 C ATOM 900 CG ASP A 56 1.286 -12.375 4.964 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.556 -11.447 5.740 1.00 0.00 O ATOM 902 OD2 ASP A 56 2.114 -13.309 4.640 1.00 0.00 O ATOM 0 H ASP A 56 -1.801 -11.091 2.202 1.00 0.00 H new ATOM 0 HA ASP A 56 0.893 -12.083 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.771 -11.789 4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.485 -13.486 4.486 1.00 0.00 H new ATOM 908 N GLN A 57 -0.090 -14.047 1.270 1.00 0.00 N ATOM 909 CA GLN A 57 -0.633 -15.181 0.542 1.00 0.00 C ATOM 910 C GLN A 57 -0.957 -16.324 1.506 1.00 0.00 C ATOM 911 O GLN A 57 -0.256 -16.521 2.499 1.00 0.00 O ATOM 912 CB GLN A 57 0.330 -15.642 -0.552 1.00 0.00 C ATOM 913 CG GLN A 57 -0.382 -16.537 -1.569 1.00 0.00 C ATOM 914 CD GLN A 57 0.535 -17.666 -2.043 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.749 -17.594 -1.953 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.113 -18.710 -2.552 1.00 0.00 N ATOM 0 H GLN A 57 0.888 -13.840 1.068 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.558 -14.868 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.752 -14.774 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.162 -16.185 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.282 -16.959 -1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.701 -15.940 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.132 -18.705 -2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.409 -19.516 -2.897 1.00 0.00 H new ATOM 925 N ILE A 58 -2.017 -17.048 1.180 1.00 0.00 N ATOM 926 CA ILE A 58 -2.442 -18.167 2.005 1.00 0.00 C ATOM 927 C ILE A 58 -1.817 -19.456 1.468 1.00 0.00 C ATOM 928 O ILE A 58 -1.846 -19.711 0.265 1.00 0.00 O ATOM 929 CB ILE A 58 -3.968 -18.215 2.098 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.534 -16.864 2.537 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.426 -19.353 3.013 1.00 0.00 C ATOM 932 CD1 ILE A 58 -3.792 -16.330 3.764 1.00 0.00 C ATOM 0 H ILE A 58 -2.595 -16.882 0.356 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.088 -18.043 3.028 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.364 -18.422 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.453 -16.149 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.595 -16.967 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.515 -19.365 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.070 -20.304 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.020 -19.202 4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.215 -15.368 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.896 -17.036 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.736 -16.205 3.525 1.00 0.00 H new ATOM 944 N PHE A 59 -1.265 -20.236 2.387 1.00 0.00 N ATOM 945 CA PHE A 59 -0.635 -21.493 2.021 1.00 0.00 C ATOM 946 C PHE A 59 -1.684 -22.566 1.722 1.00 0.00 C ATOM 947 O PHE A 59 -1.615 -23.237 0.693 1.00 0.00 O ATOM 948 CB PHE A 59 0.206 -21.938 3.220 1.00 0.00 C ATOM 949 CG PHE A 59 0.707 -23.380 3.128 1.00 0.00 C ATOM 950 CD1 PHE A 59 1.732 -23.691 2.289 1.00 0.00 C ATOM 951 CD2 PHE A 59 0.128 -24.351 3.884 1.00 0.00 C ATOM 952 CE1 PHE A 59 2.197 -25.030 2.204 1.00 0.00 C ATOM 953 CE2 PHE A 59 0.594 -25.690 3.798 1.00 0.00 C ATOM 954 CZ PHE A 59 1.618 -26.000 2.960 1.00 0.00 C ATOM 0 H PHE A 59 -1.241 -20.021 3.384 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.028 -21.358 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.063 -21.272 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.387 -21.828 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.192 -22.920 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.686 -24.104 4.550 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.011 -25.278 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.135 -26.461 4.398 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.972 -27.018 2.895 1.00 0.00 H new ATOM 964 N GLY A 60 -2.630 -22.695 2.640 1.00 0.00 N ATOM 965 CA GLY A 60 -3.692 -23.675 2.488 1.00 0.00 C ATOM 966 C GLY A 60 -4.125 -23.792 1.026 1.00 0.00 C ATOM 967 O GLY A 60 -4.015 -24.859 0.425 1.00 0.00 O ATOM 0 H GLY A 60 -2.683 -22.137 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.351 -24.645 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.546 -23.389 3.102 1.00 0.00 H new ATOM 971 N LYS A 61 -4.608 -22.678 0.493 1.00 0.00 N ATOM 972 CA LYS A 61 -5.057 -22.642 -0.888 1.00 0.00 C ATOM 973 C LYS A 61 -4.375 -21.480 -1.611 1.00 0.00 C ATOM 974 O LYS A 61 -3.278 -21.070 -1.237 1.00 0.00 O ATOM 975 CB LYS A 61 -6.586 -22.595 -0.952 1.00 0.00 C ATOM 976 CG LYS A 61 -7.112 -21.235 -0.491 1.00 0.00 C ATOM 977 CD LYS A 61 -8.591 -21.070 -0.845 1.00 0.00 C ATOM 978 CE LYS A 61 -9.483 -21.433 0.344 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.722 -20.625 0.328 1.00 0.00 N ATOM 0 H LYS A 61 -4.698 -21.794 0.994 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.767 -23.555 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.917 -22.790 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.004 -23.382 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.979 -21.136 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.532 -20.439 -0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.784 -20.041 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.838 -21.704 -1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.733 -22.493 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.944 -21.264 1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.276 -20.822 1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.477 -19.615 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.285 -20.869 -0.512 1.00 0.00 H new ATOM 992 N LEU A 62 -5.053 -20.982 -2.635 1.00 0.00 N ATOM 993 CA LEU A 62 -4.527 -19.875 -3.415 1.00 0.00 C ATOM 994 C LEU A 62 -5.190 -18.573 -2.957 1.00 0.00 C ATOM 995 O LEU A 62 -5.589 -17.753 -3.783 1.00 0.00 O ATOM 996 CB LEU A 62 -4.682 -20.151 -4.910 1.00 0.00 C ATOM 997 CG LEU A 62 -3.968 -21.396 -5.440 1.00 0.00 C ATOM 998 CD1 LEU A 62 -4.867 -22.179 -6.399 1.00 0.00 C ATOM 999 CD2 LEU A 62 -2.629 -21.028 -6.083 1.00 0.00 C ATOM 0 H LEU A 62 -5.963 -21.325 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.456 -19.765 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.745 -20.243 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.314 -19.284 -5.459 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.752 -22.050 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.334 -23.059 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.771 -22.491 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.137 -21.545 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.142 -21.931 -6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.800 -20.343 -6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.990 -20.547 -5.343 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.287 -18.425 -1.644 1.00 0.00 N ATOM 1012 CA GLU A 63 -5.894 -17.238 -1.068 1.00 0.00 C ATOM 1013 C GLU A 63 -4.813 -16.247 -0.633 1.00 0.00 C ATOM 1014 O GLU A 63 -3.626 -16.566 -0.660 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.807 -17.603 0.105 1.00 0.00 C ATOM 1016 CG GLU A 63 -7.927 -16.574 0.269 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.300 -17.247 0.234 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -9.400 -18.464 0.454 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -10.286 -16.460 -0.032 1.00 0.00 O ATOM 0 H GLU A 63 -4.955 -19.108 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.510 -16.762 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.237 -18.591 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.222 -17.658 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.802 -16.043 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.862 -15.831 -0.526 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.264 -15.063 -0.243 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.350 -14.023 0.198 1.00 0.00 C ATOM 1029 C ALA A 64 -5.091 -13.058 1.126 1.00 0.00 C ATOM 1030 O ALA A 64 -6.051 -12.409 0.714 1.00 0.00 O ATOM 1031 CB ALA A 64 -3.755 -13.316 -1.022 1.00 0.00 C ATOM 0 H ALA A 64 -6.250 -14.801 -0.223 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.523 -14.453 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.069 -12.536 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.215 -14.039 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.556 -12.869 -1.611 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.617 -12.995 2.361 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.221 -12.120 3.351 1.00 0.00 C ATOM 1039 C GLU A 65 -4.380 -10.855 3.528 1.00 0.00 C ATOM 1040 O GLU A 65 -3.152 -10.911 3.479 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.406 -12.847 4.685 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.354 -12.074 5.604 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.981 -12.277 7.074 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -6.321 -13.313 7.662 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -5.309 -11.311 7.604 1.00 0.00 O ATOM 0 H GLU A 65 -3.821 -13.536 2.699 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.208 -11.828 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.802 -13.847 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.439 -12.969 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.318 -11.012 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.379 -12.405 5.436 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.073 -9.744 3.729 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.404 -8.467 3.913 1.00 0.00 C ATOM 1055 C GLY A 66 -5.348 -7.440 4.542 1.00 0.00 C ATOM 1056 O GLY A 66 -6.566 -7.600 4.493 1.00 0.00 O ATOM 0 H GLY A 66 -6.091 -9.701 3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.529 -8.599 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.047 -8.097 2.952 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.749 -6.408 5.117 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.520 -5.354 5.754 1.00 0.00 C ATOM 1062 C TYR A 67 -5.536 -4.088 4.893 1.00 0.00 C ATOM 1063 O TYR A 67 -4.498 -3.667 4.386 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.809 -5.049 7.074 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.756 -4.698 8.224 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.793 -3.813 8.017 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -5.570 -5.265 9.468 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -7.684 -3.482 9.098 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -6.460 -4.934 10.551 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.473 -4.058 10.312 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.315 -3.746 11.335 1.00 0.00 O ATOM 0 H TYR A 67 -3.738 -6.279 5.155 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.553 -5.670 5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.210 -5.914 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.118 -4.220 6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.937 -3.368 7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.757 -5.957 9.630 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.501 -2.792 8.949 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.326 -5.371 11.530 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.044 -4.232 12.142 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.725 -3.519 4.756 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.888 -2.311 3.966 1.00 0.00 C ATOM 1083 C ALA A 68 -7.055 -1.113 4.902 1.00 0.00 C ATOM 1084 O ALA A 68 -7.892 -1.137 5.804 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.077 -2.480 3.017 1.00 0.00 C ATOM 0 H ALA A 68 -7.584 -3.872 5.178 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.004 -2.130 3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.200 -1.574 2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.896 -3.326 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.982 -2.660 3.597 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.245 -0.094 4.657 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.293 1.111 5.467 1.00 0.00 C ATOM 1093 C LYS A 69 -6.426 2.330 4.553 1.00 0.00 C ATOM 1094 O LYS A 69 -5.876 2.349 3.453 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.084 1.175 6.404 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.084 2.474 7.212 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.208 3.536 6.544 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.748 3.396 6.980 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.227 4.692 7.467 1.00 0.00 N ATOM 0 H LYS A 69 -5.552 -0.078 3.909 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.170 1.100 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.099 0.321 7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.165 1.104 5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.104 2.847 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.720 2.279 8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.278 3.441 5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.575 4.530 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.667 2.646 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.144 3.046 6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.271 4.559 7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.191 5.370 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.853 5.060 8.212 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.160 3.320 5.042 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.373 4.540 4.283 1.00 0.00 C ATOM 1114 C ILE A 70 -7.226 5.746 5.212 1.00 0.00 C ATOM 1115 O ILE A 70 -7.621 5.690 6.375 1.00 0.00 O ATOM 1116 CB ILE A 70 -8.715 4.487 3.550 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -8.726 3.371 2.504 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.060 5.848 2.941 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.117 2.744 2.386 1.00 0.00 C ATOM 0 H ILE A 70 -7.614 3.301 5.955 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.616 4.643 3.506 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.492 4.253 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.420 3.771 1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.000 2.605 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.018 5.784 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.123 6.595 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.285 6.136 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.097 1.954 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.410 2.324 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.836 3.508 2.090 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.656 6.809 4.664 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.452 8.027 5.429 1.00 0.00 C ATOM 1133 C TYR A 71 -7.515 9.073 5.090 1.00 0.00 C ATOM 1134 O TYR A 71 -8.374 8.837 4.241 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.078 8.559 5.016 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.191 7.523 4.323 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -3.866 7.672 2.990 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -3.716 6.439 5.032 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -3.032 6.696 2.338 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -2.880 5.463 4.381 1.00 0.00 C ATOM 1141 CZ TYR A 71 -2.580 5.640 3.066 1.00 0.00 C ATOM 1142 OH TYR A 71 -1.791 4.718 2.451 1.00 0.00 O ATOM 0 H TYR A 71 -6.329 6.852 3.699 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.518 7.824 6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.215 9.409 4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.562 8.929 5.902 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.237 8.521 2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.971 6.322 6.075 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.771 6.800 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.500 4.610 4.924 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.542 4.020 3.093 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.422 10.207 5.769 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.366 11.290 5.550 1.00 0.00 C ATOM 1154 C ASN A 72 -7.728 12.339 4.637 1.00 0.00 C ATOM 1155 O ASN A 72 -8.384 12.873 3.744 1.00 0.00 O ATOM 1156 CB ASN A 72 -8.736 11.972 6.867 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.169 11.627 7.280 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.123 12.303 6.931 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.266 10.540 8.039 1.00 0.00 N ATOM 0 H ASN A 72 -6.707 10.399 6.471 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.264 10.869 5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.043 11.661 7.649 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.634 13.052 6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.180 10.226 8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.427 10.020 8.295 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.455 12.604 4.893 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.721 13.580 4.105 1.00 0.00 C ATOM 1168 C ASP A 73 -4.220 13.357 4.295 1.00 0.00 C ATOM 1169 O ASP A 73 -3.750 13.187 5.419 1.00 0.00 O ATOM 1170 CB ASP A 73 -6.047 15.007 4.552 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.495 15.141 6.009 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -7.694 15.266 6.300 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -5.542 15.112 6.878 1.00 0.00 O ATOM 0 H ASP A 73 -5.913 12.160 5.635 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.008 13.455 3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.166 15.630 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.832 15.403 3.908 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.506 13.365 3.178 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.067 13.165 3.207 1.00 0.00 C ATOM 1181 C GLU A 74 -1.415 14.149 4.181 1.00 0.00 C ATOM 1182 O GLU A 74 -0.291 13.929 4.629 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.466 13.300 1.806 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.265 12.485 0.787 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.767 13.373 -0.353 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -3.677 14.190 -0.148 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -2.177 13.192 -1.486 1.00 0.00 O ATOM 0 H GLU A 74 -3.898 13.507 2.247 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.867 12.152 3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.455 14.349 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.430 12.961 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.641 11.688 0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.112 12.008 1.281 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.148 15.212 4.478 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.654 16.229 5.390 1.00 0.00 C ATOM 1197 C LYS A 75 -1.293 15.578 6.727 1.00 0.00 C ATOM 1198 O LYS A 75 -0.196 15.783 7.244 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.664 17.373 5.515 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.817 18.116 4.187 1.00 0.00 C ATOM 1201 CD LYS A 75 -1.924 19.357 4.148 1.00 0.00 C ATOM 1202 CE LYS A 75 -0.445 18.967 4.116 1.00 0.00 C ATOM 1203 NZ LYS A 75 0.363 20.049 3.508 1.00 0.00 N ATOM 0 H LYS A 75 -3.080 15.391 4.103 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.742 16.681 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.630 16.977 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.338 18.068 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.559 17.452 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.858 18.408 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.165 19.955 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.121 19.979 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.093 18.767 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.318 18.046 3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.364 19.768 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.038 20.220 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.255 20.919 4.067 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.237 14.808 7.247 1.00 0.00 N ATOM 1217 CA ALA A 76 -2.032 14.126 8.514 1.00 0.00 C ATOM 1218 C ALA A 76 -1.112 12.923 8.297 1.00 0.00 C ATOM 1219 O ALA A 76 -0.101 12.779 8.982 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.386 13.725 9.102 1.00 0.00 C ATOM 0 H ALA A 76 -3.146 14.641 6.815 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.547 14.787 9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.233 13.213 10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.991 14.617 9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.900 13.058 8.410 1.00 0.00 H new ATOM 1226 N MET A 77 -1.495 12.089 7.341 1.00 0.00 N ATOM 1227 CA MET A 77 -0.718 10.903 7.026 1.00 0.00 C ATOM 1228 C MET A 77 0.759 11.253 6.827 1.00 0.00 C ATOM 1229 O MET A 77 1.639 10.557 7.332 1.00 0.00 O ATOM 1230 CB MET A 77 -1.265 10.256 5.752 1.00 0.00 C ATOM 1231 CG MET A 77 -0.135 9.657 4.912 1.00 0.00 C ATOM 1232 SD MET A 77 -0.785 8.402 3.822 1.00 0.00 S ATOM 1233 CE MET A 77 -0.813 9.310 2.285 1.00 0.00 C ATOM 0 H MET A 77 -2.334 12.212 6.774 1.00 0.00 H new ATOM 0 HA MET A 77 -0.799 10.207 7.861 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.980 9.477 6.014 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.804 10.999 5.165 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.351 10.440 4.330 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.625 9.226 5.564 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.042 8.630 1.465 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.576 10.087 2.335 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.161 9.768 2.115 1.00 0.00 H new ATOM 1243 N ALA A 78 0.985 12.331 6.091 1.00 0.00 N ATOM 1244 CA ALA A 78 2.340 12.782 5.820 1.00 0.00 C ATOM 1245 C ALA A 78 3.088 12.958 7.142 1.00 0.00 C ATOM 1246 O ALA A 78 4.311 12.831 7.190 1.00 0.00 O ATOM 1247 CB ALA A 78 2.294 14.072 4.999 1.00 0.00 C ATOM 0 H ALA A 78 0.253 12.906 5.674 1.00 0.00 H new ATOM 0 HA ALA A 78 2.881 12.041 5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.310 14.410 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.778 13.886 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.761 14.841 5.559 1.00 0.00 H new ATOM 1253 N THR A 79 2.323 13.248 8.185 1.00 0.00 N ATOM 1254 CA THR A 79 2.900 13.443 9.505 1.00 0.00 C ATOM 1255 C THR A 79 2.732 12.180 10.352 1.00 0.00 C ATOM 1256 O THR A 79 3.715 11.531 10.706 1.00 0.00 O ATOM 1257 CB THR A 79 2.250 14.682 10.126 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.780 15.767 9.370 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.737 14.945 11.551 1.00 0.00 C ATOM 0 H THR A 79 1.309 13.353 8.143 1.00 0.00 H new ATOM 0 HA THR A 79 3.975 13.616 9.446 1.00 0.00 H new ATOM 0 HB THR A 79 1.167 14.561 10.130 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.410 16.610 9.705 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.245 15.834 11.945 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.497 14.089 12.181 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.816 15.100 11.544 1.00 0.00 H new ATOM 1267 N ILE A 80 1.480 11.868 10.650 1.00 0.00 N ATOM 1268 CA ILE A 80 1.170 10.694 11.449 1.00 0.00 C ATOM 1269 C ILE A 80 1.863 9.473 10.841 1.00 0.00 C ATOM 1270 O ILE A 80 2.924 9.060 11.305 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.343 10.532 11.600 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -0.907 11.551 12.593 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.705 9.096 11.985 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.396 11.305 12.844 1.00 0.00 C ATOM 0 H ILE A 80 0.667 12.408 10.353 1.00 0.00 H new ATOM 0 HA ILE A 80 1.556 10.809 12.462 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.806 10.733 10.634 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.361 11.488 13.534 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.761 12.560 12.207 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.787 9.008 12.086 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.356 8.413 11.211 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.230 8.843 12.933 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.772 12.042 13.553 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.943 11.393 11.905 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.536 10.304 13.253 1.00 0.00 H new ATOM 1286 N GLU A 81 1.232 8.928 9.810 1.00 0.00 N ATOM 1287 CA GLU A 81 1.773 7.762 9.133 1.00 0.00 C ATOM 1288 C GLU A 81 3.298 7.857 9.049 1.00 0.00 C ATOM 1289 O GLU A 81 3.851 8.951 8.961 1.00 0.00 O ATOM 1290 CB GLU A 81 1.157 7.600 7.742 1.00 0.00 C ATOM 1291 CG GLU A 81 0.029 6.565 7.759 1.00 0.00 C ATOM 1292 CD GLU A 81 -1.330 7.239 7.959 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -2.198 7.158 7.078 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -1.469 7.862 9.081 1.00 0.00 O ATOM 0 H GLU A 81 0.351 9.273 9.428 1.00 0.00 H new ATOM 0 HA GLU A 81 1.515 6.877 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.770 8.559 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.926 7.293 7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.028 6.007 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.203 5.845 8.559 1.00 0.00 H new ATOM 1302 N THR A 82 3.934 6.695 9.080 1.00 0.00 N ATOM 1303 CA THR A 82 5.384 6.633 9.008 1.00 0.00 C ATOM 1304 C THR A 82 5.834 6.304 7.584 1.00 0.00 C ATOM 1305 O THR A 82 5.042 5.826 6.773 1.00 0.00 O ATOM 1306 CB THR A 82 5.866 5.619 10.047 1.00 0.00 C ATOM 1307 OG1 THR A 82 4.902 4.571 9.983 1.00 0.00 O ATOM 1308 CG2 THR A 82 5.746 6.146 11.479 1.00 0.00 C ATOM 0 H THR A 82 3.472 5.789 9.154 1.00 0.00 H new ATOM 0 HA THR A 82 5.833 7.598 9.242 1.00 0.00 H new ATOM 0 HB THR A 82 6.904 5.355 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.139 3.869 10.624 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.101 5.388 12.177 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.348 7.048 11.586 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.703 6.378 11.695 1.00 0.00 H new ATOM 1316 N LYS A 83 7.105 6.572 7.322 1.00 0.00 N ATOM 1317 CA LYS A 83 7.671 6.309 6.009 1.00 0.00 C ATOM 1318 C LYS A 83 7.407 4.852 5.627 1.00 0.00 C ATOM 1319 O LYS A 83 7.446 4.499 4.449 1.00 0.00 O ATOM 1320 CB LYS A 83 9.151 6.695 5.977 1.00 0.00 C ATOM 1321 CG LYS A 83 10.009 5.635 6.668 1.00 0.00 C ATOM 1322 CD LYS A 83 10.323 6.036 8.110 1.00 0.00 C ATOM 1323 CE LYS A 83 11.738 6.605 8.226 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.701 5.533 8.565 1.00 0.00 N ATOM 0 H LYS A 83 7.759 6.969 7.997 1.00 0.00 H new ATOM 0 HA LYS A 83 7.187 6.929 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.477 6.815 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.290 7.658 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.488 4.678 6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.938 5.497 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.600 6.777 8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.221 5.169 8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.025 7.076 7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.763 7.380 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.657 5.936 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.435 5.102 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.689 4.807 7.820 1.00 0.00 H new ATOM 1337 N SER A 84 7.142 4.045 6.644 1.00 0.00 N ATOM 1338 CA SER A 84 6.872 2.634 6.429 1.00 0.00 C ATOM 1339 C SER A 84 5.523 2.461 5.727 1.00 0.00 C ATOM 1340 O SER A 84 5.428 1.761 4.720 1.00 0.00 O ATOM 1341 CB SER A 84 6.885 1.863 7.750 1.00 0.00 C ATOM 1342 OG SER A 84 7.548 0.607 7.629 1.00 0.00 O ATOM 0 H SER A 84 7.109 4.342 7.619 1.00 0.00 H new ATOM 0 HA SER A 84 7.660 2.228 5.795 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.380 2.462 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.861 1.701 8.085 1.00 0.00 H new ATOM 0 HG SER A 84 7.536 0.146 8.494 1.00 0.00 H new ATOM 1348 N VAL A 85 4.513 3.110 6.286 1.00 0.00 N ATOM 1349 CA VAL A 85 3.174 3.037 5.728 1.00 0.00 C ATOM 1350 C VAL A 85 3.186 3.613 4.310 1.00 0.00 C ATOM 1351 O VAL A 85 2.569 3.055 3.403 1.00 0.00 O ATOM 1352 CB VAL A 85 2.181 3.745 6.651 1.00 0.00 C ATOM 1353 CG1 VAL A 85 0.827 3.930 5.963 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.025 2.988 7.972 1.00 0.00 C ATOM 0 H VAL A 85 4.595 3.690 7.121 1.00 0.00 H new ATOM 0 HA VAL A 85 2.847 2.000 5.657 1.00 0.00 H new ATOM 0 HB VAL A 85 2.580 4.734 6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.140 4.436 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.955 4.531 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.419 2.956 5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.314 3.512 8.610 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.660 1.980 7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.990 2.931 8.475 1.00 0.00 H new ATOM 1364 N LEU A 86 3.895 4.722 4.162 1.00 0.00 N ATOM 1365 CA LEU A 86 3.995 5.379 2.870 1.00 0.00 C ATOM 1366 C LEU A 86 4.930 4.574 1.964 1.00 0.00 C ATOM 1367 O LEU A 86 4.755 4.555 0.747 1.00 0.00 O ATOM 1368 CB LEU A 86 4.415 6.840 3.043 1.00 0.00 C ATOM 1369 CG LEU A 86 3.563 7.674 4.005 1.00 0.00 C ATOM 1370 CD1 LEU A 86 4.268 8.982 4.366 1.00 0.00 C ATOM 1371 CD2 LEU A 86 2.166 7.914 3.431 1.00 0.00 C ATOM 0 H LEU A 86 4.406 5.182 4.915 1.00 0.00 H new ATOM 0 HA LEU A 86 3.021 5.407 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.448 6.862 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.399 7.320 2.065 1.00 0.00 H new ATOM 0 HG LEU A 86 3.438 7.110 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.643 9.556 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.222 8.761 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.443 9.563 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.581 8.508 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.248 8.448 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.671 6.957 3.266 1.00 0.00 H new ATOM 1383 N GLU A 87 5.901 3.931 2.594 1.00 0.00 N ATOM 1384 CA GLU A 87 6.863 3.126 1.860 1.00 0.00 C ATOM 1385 C GLU A 87 6.142 2.184 0.895 1.00 0.00 C ATOM 1386 O GLU A 87 6.555 2.030 -0.254 1.00 0.00 O ATOM 1387 CB GLU A 87 7.767 2.344 2.815 1.00 0.00 C ATOM 1388 CG GLU A 87 9.185 2.921 2.825 1.00 0.00 C ATOM 1389 CD GLU A 87 10.186 1.922 2.242 1.00 0.00 C ATOM 1390 OE1 GLU A 87 10.429 1.926 1.025 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.721 1.122 3.101 1.00 0.00 O ATOM 0 H GLU A 87 6.043 3.951 3.604 1.00 0.00 H new ATOM 0 HA GLU A 87 7.497 3.795 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.351 2.375 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.799 1.297 2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.210 3.845 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.471 3.175 3.846 1.00 0.00 H new ATOM 1399 N LYS A 88 5.075 1.579 1.395 1.00 0.00 N ATOM 1400 CA LYS A 88 4.291 0.656 0.592 1.00 0.00 C ATOM 1401 C LYS A 88 3.922 1.327 -0.732 1.00 0.00 C ATOM 1402 O LYS A 88 4.369 0.899 -1.796 1.00 0.00 O ATOM 1403 CB LYS A 88 3.083 0.150 1.383 1.00 0.00 C ATOM 1404 CG LYS A 88 3.526 -0.580 2.652 1.00 0.00 C ATOM 1405 CD LYS A 88 2.990 0.121 3.902 1.00 0.00 C ATOM 1406 CE LYS A 88 1.464 0.216 3.867 1.00 0.00 C ATOM 1407 NZ LYS A 88 0.913 0.235 5.239 1.00 0.00 N ATOM 0 H LYS A 88 4.734 1.710 2.348 1.00 0.00 H new ATOM 0 HA LYS A 88 4.877 -0.230 0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.440 0.989 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.491 -0.521 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.170 -1.610 2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.615 -0.620 2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.303 -0.425 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.418 1.121 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.162 1.119 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.054 -0.630 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.095 0.876 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.613 -0.724 5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.643 0.566 5.902 1.00 0.00 H new ATOM 1420 N ASN A 89 3.110 2.368 -0.626 1.00 0.00 N ATOM 1421 CA ASN A 89 2.675 3.102 -1.802 1.00 0.00 C ATOM 1422 C ASN A 89 3.739 4.138 -2.173 1.00 0.00 C ATOM 1423 O ASN A 89 3.428 5.314 -2.357 1.00 0.00 O ATOM 1424 CB ASN A 89 1.365 3.845 -1.534 1.00 0.00 C ATOM 1425 CG ASN A 89 0.467 3.837 -2.773 1.00 0.00 C ATOM 1426 OD1 ASN A 89 0.183 4.860 -3.373 1.00 0.00 O ATOM 1427 ND2 ASN A 89 0.036 2.626 -3.120 1.00 0.00 N ATOM 0 H ASN A 89 2.741 2.721 0.257 1.00 0.00 H new ATOM 0 HA ASN A 89 2.525 2.386 -2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.843 3.379 -0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.579 4.873 -1.242 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.570 2.514 -3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.312 1.810 -2.573 1.00 0.00 H new