USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot -153:sc= 0.656 USER MOD Set 1.2: A 84 HIS :FLIP no HE2:sc= -12.9! C(o=-16!,f=-12!) USER MOD Set 2.1: A 68 CYS SG : rot -125:sc= -0.338 USER MOD Set 2.2: A 74 THR OG1 : rot -138:sc= -0.841! USER MOD Set 3.1: A 38 SER OG : rot -77:sc= 0.141! USER MOD Set 3.2: A 40 CYS SG : rot -106:sc= 2.37 USER MOD Set 3.3: A 42 SER OG : rot 63:sc= 1.56 USER MOD Set 4.1: A 23 GLN :FLIP amide:sc= -3.22! X(o=-4.2,f=-3.9!) USER MOD Set 4.2: A 37 HIS :FLIP no HE2:sc= -0.644 F(o=-7.8!,f=-3.9) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -126:sc= -0.0237 (180deg=-0.552) USER MOD Single : A 3 THR OG1 : rot 90:sc= -0.522 USER MOD Single : A 8 HIS : no HE2:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0764 X(o=-0.076,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= -0.0868 (180deg=-0.904) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0113 K(o=-0.011,f=-0.77) USER MOD Single : A 56 GLN : amide:sc= -8.43! C(o=-8.4!,f=-8.8!) USER MOD Single : A 57 MET CE :methyl 151:sc= -1.09 (180deg=-1.15) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= -5.45! (180deg=-5.66!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.293 -2.587 -4.694 1.00 0.00 N ATOM 2 CA ALA A 1 -16.366 -2.920 -3.573 1.00 0.00 C ATOM 3 C ALA A 1 -16.788 -2.182 -2.300 1.00 0.00 C ATOM 4 O ALA A 1 -16.193 -1.193 -1.919 1.00 0.00 O ATOM 5 CB ALA A 1 -14.991 -2.441 -4.041 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.996 -3.094 -5.552 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.261 -2.872 -4.441 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.269 -1.563 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.368 -3.984 -3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.251 -2.651 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.717 -2.962 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.024 -1.368 -4.230 1.00 0.00 H new ATOM 13 N LYS A 2 -17.810 -2.653 -1.639 1.00 0.00 N ATOM 14 CA LYS A 2 -18.267 -1.977 -0.390 1.00 0.00 C ATOM 15 C LYS A 2 -17.141 -1.969 0.647 1.00 0.00 C ATOM 16 O LYS A 2 -16.900 -0.979 1.309 1.00 0.00 O ATOM 17 CB LYS A 2 -19.447 -2.815 0.103 1.00 0.00 C ATOM 18 CG LYS A 2 -20.073 -2.146 1.326 1.00 0.00 C ATOM 19 CD LYS A 2 -21.253 -2.988 1.816 1.00 0.00 C ATOM 20 CE LYS A 2 -21.799 -2.393 3.117 1.00 0.00 C ATOM 21 NZ LYS A 2 -20.798 -2.765 4.160 1.00 0.00 N ATOM 0 H LYS A 2 -18.348 -3.476 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 2 -18.549 -0.938 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -20.190 -2.917 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.111 -3.820 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.331 -2.043 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.409 -1.141 1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.036 -3.012 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.936 -4.018 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -21.907 -1.311 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.784 -2.796 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -21.278 -3.254 4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -20.082 -3.395 3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -20.336 -1.906 4.520 1.00 0.00 H new ATOM 35 N THR A 3 -16.424 -3.052 0.759 1.00 0.00 N ATOM 36 CA THR A 3 -15.280 -3.095 1.715 1.00 0.00 C ATOM 37 C THR A 3 -14.044 -3.682 1.028 1.00 0.00 C ATOM 38 O THR A 3 -14.140 -4.593 0.230 1.00 0.00 O ATOM 39 CB THR A 3 -15.742 -4.009 2.851 1.00 0.00 C ATOM 40 OG1 THR A 3 -15.895 -5.333 2.357 1.00 0.00 O ATOM 41 CG2 THR A 3 -17.079 -3.511 3.402 1.00 0.00 C ATOM 0 H THR A 3 -16.580 -3.910 0.230 1.00 0.00 H new ATOM 0 HA THR A 3 -15.007 -2.103 2.076 1.00 0.00 H new ATOM 0 HB THR A 3 -14.999 -4.000 3.649 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.048 -5.817 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.405 -4.164 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.961 -2.496 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.825 -3.517 2.607 1.00 0.00 H new ATOM 49 N ALA A 4 -12.881 -3.191 1.355 1.00 0.00 N ATOM 50 CA ALA A 4 -11.641 -3.747 0.745 1.00 0.00 C ATOM 51 C ALA A 4 -10.575 -3.967 1.820 1.00 0.00 C ATOM 52 O ALA A 4 -10.384 -3.142 2.693 1.00 0.00 O ATOM 53 CB ALA A 4 -11.179 -2.685 -0.254 1.00 0.00 C ATOM 0 H ALA A 4 -12.736 -2.429 2.018 1.00 0.00 H new ATOM 0 HA ALA A 4 -11.815 -4.711 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.267 -3.021 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.957 -2.525 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -10.984 -1.751 0.272 1.00 0.00 H new ATOM 59 N ALA A 5 -9.820 -5.027 1.713 1.00 0.00 N ATOM 60 CA ALA A 5 -8.699 -5.243 2.670 1.00 0.00 C ATOM 61 C ALA A 5 -7.418 -4.668 2.071 1.00 0.00 C ATOM 62 O ALA A 5 -7.096 -4.930 0.930 1.00 0.00 O ATOM 63 CB ALA A 5 -8.592 -6.761 2.819 1.00 0.00 C ATOM 0 H ALA A 5 -9.932 -5.752 1.004 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.860 -4.759 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.785 -7.003 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.532 -7.156 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.383 -7.208 1.847 1.00 0.00 H new ATOM 69 N ALA A 6 -6.813 -3.721 2.731 1.00 0.00 N ATOM 70 CA ALA A 6 -5.719 -2.965 2.062 1.00 0.00 C ATOM 71 C ALA A 6 -4.505 -2.809 2.977 1.00 0.00 C ATOM 72 O ALA A 6 -4.542 -2.093 3.959 1.00 0.00 O ATOM 73 CB ALA A 6 -6.332 -1.601 1.754 1.00 0.00 C ATOM 0 H ALA A 6 -7.024 -3.441 3.689 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.359 -3.479 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.592 -0.973 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.196 -1.729 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.646 -1.125 2.683 1.00 0.00 H new ATOM 79 N LEU A 7 -3.383 -3.330 2.563 1.00 0.00 N ATOM 80 CA LEU A 7 -2.116 -3.050 3.298 1.00 0.00 C ATOM 81 C LEU A 7 -1.375 -1.901 2.609 1.00 0.00 C ATOM 82 O LEU A 7 -1.485 -1.716 1.414 1.00 0.00 O ATOM 83 CB LEU A 7 -1.301 -4.344 3.213 1.00 0.00 C ATOM 84 CG LEU A 7 -1.830 -5.362 4.229 1.00 0.00 C ATOM 85 CD1 LEU A 7 -3.361 -5.379 4.234 1.00 0.00 C ATOM 86 CD2 LEU A 7 -1.322 -6.748 3.849 1.00 0.00 C ATOM 0 H LEU A 7 -3.288 -3.937 1.749 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.289 -2.757 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.362 -4.757 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.249 -4.135 3.409 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.479 -5.082 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.714 -6.109 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.735 -4.390 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.725 -5.650 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.693 -7.481 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.677 -7.005 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.232 -6.751 3.858 1.00 0.00 H new ATOM 98 N HIS A 8 -0.675 -1.090 3.354 1.00 0.00 N ATOM 99 CA HIS A 8 -0.002 0.083 2.727 1.00 0.00 C ATOM 100 C HIS A 8 1.407 0.260 3.291 1.00 0.00 C ATOM 101 O HIS A 8 1.581 0.514 4.467 1.00 0.00 O ATOM 102 CB HIS A 8 -0.869 1.289 3.098 1.00 0.00 C ATOM 103 CG HIS A 8 -2.269 1.080 2.591 1.00 0.00 C ATOM 104 ND1 HIS A 8 -2.745 1.707 1.451 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.307 0.316 3.062 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.019 1.314 1.275 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.413 0.466 2.229 1.00 0.00 N ATOM 0 H HIS A 8 -0.540 -1.187 4.360 1.00 0.00 H new ATOM 0 HA HIS A 8 0.098 -0.039 1.648 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.880 1.423 4.180 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.448 2.198 2.668 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.224 2.350 0.854 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.272 -0.306 3.944 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.647 1.644 0.461 1.00 0.00 H new ATOM 115 N ILE A 9 2.392 0.325 2.440 1.00 0.00 N ATOM 116 CA ILE A 9 3.742 0.721 2.925 1.00 0.00 C ATOM 117 C ILE A 9 4.023 2.171 2.539 1.00 0.00 C ATOM 118 O ILE A 9 3.983 2.535 1.380 1.00 0.00 O ATOM 119 CB ILE A 9 4.733 -0.209 2.232 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.420 -1.661 2.590 1.00 0.00 C ATOM 121 CG2 ILE A 9 6.153 0.140 2.685 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.391 -2.587 1.852 1.00 0.00 C ATOM 0 H ILE A 9 2.323 0.124 1.442 1.00 0.00 H new ATOM 0 HA ILE A 9 3.819 0.643 4.009 1.00 0.00 H new ATOM 0 HB ILE A 9 4.653 -0.085 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.507 -1.809 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.392 -1.901 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.865 -0.522 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.376 1.174 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.231 0.017 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.169 -3.624 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.282 -2.446 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.414 -2.352 2.147 1.00 0.00 H new ATOM 134 N LEU A 10 4.360 2.983 3.497 1.00 0.00 N ATOM 135 CA LEU A 10 4.712 4.395 3.195 1.00 0.00 C ATOM 136 C LEU A 10 6.231 4.572 3.256 1.00 0.00 C ATOM 137 O LEU A 10 6.852 4.343 4.275 1.00 0.00 O ATOM 138 CB LEU A 10 4.022 5.212 4.292 1.00 0.00 C ATOM 139 CG LEU A 10 4.371 6.700 4.147 1.00 0.00 C ATOM 140 CD1 LEU A 10 5.784 6.948 4.680 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.300 7.113 2.675 1.00 0.00 C ATOM 0 H LEU A 10 4.407 2.728 4.483 1.00 0.00 H new ATOM 0 HA LEU A 10 4.395 4.707 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.942 5.077 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.333 4.852 5.273 1.00 0.00 H new ATOM 0 HG LEU A 10 3.656 7.292 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.032 8.005 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.831 6.665 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.497 6.351 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.549 8.170 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.009 6.521 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.292 6.943 2.298 1.00 0.00 H new ATOM 153 N VAL A 11 6.832 4.976 2.173 1.00 0.00 N ATOM 154 CA VAL A 11 8.314 5.165 2.171 1.00 0.00 C ATOM 155 C VAL A 11 8.659 6.649 2.042 1.00 0.00 C ATOM 156 O VAL A 11 8.142 7.348 1.194 1.00 0.00 O ATOM 157 CB VAL A 11 8.832 4.392 0.952 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.334 4.146 1.108 1.00 0.00 C ATOM 159 CG2 VAL A 11 8.107 3.047 0.849 1.00 0.00 C ATOM 0 H VAL A 11 6.365 5.184 1.290 1.00 0.00 H new ATOM 0 HA VAL A 11 8.766 4.807 3.096 1.00 0.00 H new ATOM 0 HB VAL A 11 8.646 4.974 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.705 3.597 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.854 5.101 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.515 3.564 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.477 2.500 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.291 2.464 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.036 3.218 0.740 1.00 0.00 H new ATOM 169 N LYS A 12 9.545 7.128 2.868 1.00 0.00 N ATOM 170 CA LYS A 12 9.950 8.561 2.790 1.00 0.00 C ATOM 171 C LYS A 12 10.683 8.838 1.473 1.00 0.00 C ATOM 172 O LYS A 12 10.581 9.910 0.912 1.00 0.00 O ATOM 173 CB LYS A 12 10.887 8.771 3.979 1.00 0.00 C ATOM 174 CG LYS A 12 11.369 10.224 3.999 1.00 0.00 C ATOM 175 CD LYS A 12 12.362 10.420 5.147 1.00 0.00 C ATOM 176 CE LYS A 12 11.636 10.273 6.486 1.00 0.00 C ATOM 177 NZ LYS A 12 12.687 9.825 7.442 1.00 0.00 N ATOM 0 H LYS A 12 10.009 6.587 3.598 1.00 0.00 H new ATOM 0 HA LYS A 12 9.093 9.233 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.370 8.535 4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.739 8.095 3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.842 10.474 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.521 10.898 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.165 9.687 5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.823 11.405 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.192 11.217 6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.826 9.546 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.268 9.701 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.087 8.921 7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.441 10.540 7.489 1.00 0.00 H new ATOM 191 N GLU A 13 11.521 7.930 1.048 1.00 0.00 N ATOM 192 CA GLU A 13 12.372 8.207 -0.148 1.00 0.00 C ATOM 193 C GLU A 13 12.092 7.191 -1.264 1.00 0.00 C ATOM 194 O GLU A 13 11.877 6.021 -1.017 1.00 0.00 O ATOM 195 CB GLU A 13 13.807 8.072 0.364 1.00 0.00 C ATOM 196 CG GLU A 13 14.072 6.621 0.772 1.00 0.00 C ATOM 197 CD GLU A 13 15.474 6.508 1.375 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.218 7.469 1.279 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.778 5.462 1.924 1.00 0.00 O ATOM 0 H GLU A 13 11.653 7.013 1.474 1.00 0.00 H new ATOM 0 HA GLU A 13 12.177 9.190 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.510 8.377 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.964 8.734 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.326 6.294 1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.984 5.966 -0.095 1.00 0.00 H new ATOM 206 N GLU A 14 12.042 7.653 -2.487 1.00 0.00 N ATOM 207 CA GLU A 14 11.715 6.747 -3.631 1.00 0.00 C ATOM 208 C GLU A 14 12.735 5.610 -3.749 1.00 0.00 C ATOM 209 O GLU A 14 12.385 4.476 -4.010 1.00 0.00 O ATOM 210 CB GLU A 14 11.789 7.645 -4.866 1.00 0.00 C ATOM 211 CG GLU A 14 11.470 6.823 -6.114 1.00 0.00 C ATOM 212 CD GLU A 14 11.546 7.723 -7.349 1.00 0.00 C ATOM 213 OE1 GLU A 14 11.723 8.917 -7.178 1.00 0.00 O ATOM 214 OE2 GLU A 14 11.429 7.201 -8.446 1.00 0.00 O ATOM 0 H GLU A 14 12.215 8.625 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 14 10.740 6.276 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.084 8.470 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.783 8.084 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.175 5.997 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.475 6.385 -6.030 1.00 0.00 H new ATOM 221 N LYS A 15 13.998 5.929 -3.689 1.00 0.00 N ATOM 222 CA LYS A 15 15.044 4.895 -3.943 1.00 0.00 C ATOM 223 C LYS A 15 14.815 3.680 -3.042 1.00 0.00 C ATOM 224 O LYS A 15 14.968 2.549 -3.460 1.00 0.00 O ATOM 225 CB LYS A 15 16.365 5.588 -3.607 1.00 0.00 C ATOM 226 CG LYS A 15 16.586 6.747 -4.583 1.00 0.00 C ATOM 227 CD LYS A 15 17.903 7.453 -4.261 1.00 0.00 C ATOM 228 CE LYS A 15 18.112 8.609 -5.244 1.00 0.00 C ATOM 229 NZ LYS A 15 18.169 9.830 -4.392 1.00 0.00 N ATOM 0 H LYS A 15 14.353 6.861 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 15 15.030 4.526 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.345 5.958 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.189 4.878 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.604 6.374 -5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.759 7.453 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.887 7.829 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.732 6.749 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.032 8.482 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.296 8.668 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.311 10.667 -4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.277 9.928 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.959 9.748 -3.721 1.00 0.00 H new ATOM 243 N LEU A 16 14.379 3.901 -1.835 1.00 0.00 N ATOM 244 CA LEU A 16 14.058 2.754 -0.940 1.00 0.00 C ATOM 245 C LEU A 16 12.873 1.974 -1.517 1.00 0.00 C ATOM 246 O LEU A 16 12.871 0.759 -1.547 1.00 0.00 O ATOM 247 CB LEU A 16 13.688 3.391 0.398 1.00 0.00 C ATOM 248 CG LEU A 16 13.601 2.311 1.479 1.00 0.00 C ATOM 249 CD1 LEU A 16 14.035 2.902 2.820 1.00 0.00 C ATOM 250 CD2 LEU A 16 12.162 1.804 1.586 1.00 0.00 C ATOM 0 H LEU A 16 14.231 4.825 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 16 14.886 2.053 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.433 4.137 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.734 3.911 0.312 1.00 0.00 H new ATOM 0 HG LEU A 16 14.256 1.480 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.974 2.135 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.062 3.260 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.379 3.733 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.103 1.035 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.503 2.632 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.852 1.383 0.629 1.00 0.00 H new ATOM 262 N ALA A 17 11.899 2.669 -2.041 1.00 0.00 N ATOM 263 CA ALA A 17 10.753 1.973 -2.693 1.00 0.00 C ATOM 264 C ALA A 17 11.258 1.098 -3.844 1.00 0.00 C ATOM 265 O ALA A 17 10.917 -0.063 -3.948 1.00 0.00 O ATOM 266 CB ALA A 17 9.861 3.095 -3.226 1.00 0.00 C ATOM 0 H ALA A 17 11.848 3.688 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 17 10.218 1.319 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.991 2.664 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.532 3.723 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.423 3.699 -3.938 1.00 0.00 H new ATOM 272 N LEU A 18 12.115 1.629 -4.674 1.00 0.00 N ATOM 273 CA LEU A 18 12.690 0.804 -5.775 1.00 0.00 C ATOM 274 C LEU A 18 13.441 -0.393 -5.190 1.00 0.00 C ATOM 275 O LEU A 18 13.243 -1.520 -5.599 1.00 0.00 O ATOM 276 CB LEU A 18 13.652 1.742 -6.510 1.00 0.00 C ATOM 277 CG LEU A 18 13.023 2.193 -7.832 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.597 3.657 -7.721 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.047 2.043 -8.959 1.00 0.00 C ATOM 0 H LEU A 18 12.441 2.595 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 18 11.926 0.405 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.876 2.609 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.597 1.233 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 18 12.150 1.577 -8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.149 3.978 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.868 3.764 -6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.469 4.274 -7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.601 2.363 -9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.920 2.659 -8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.351 0.999 -9.038 1.00 0.00 H new ATOM 291 N ASP A 19 14.227 -0.173 -4.174 1.00 0.00 N ATOM 292 CA ASP A 19 14.898 -1.316 -3.494 1.00 0.00 C ATOM 293 C ASP A 19 13.845 -2.280 -2.942 1.00 0.00 C ATOM 294 O ASP A 19 13.940 -3.481 -3.102 1.00 0.00 O ATOM 295 CB ASP A 19 15.689 -0.684 -2.350 1.00 0.00 C ATOM 296 CG ASP A 19 16.435 -1.776 -1.582 1.00 0.00 C ATOM 297 OD1 ASP A 19 16.075 -2.932 -1.735 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.358 -1.439 -0.857 1.00 0.00 O ATOM 0 H ASP A 19 14.434 0.747 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 19 15.539 -1.885 -4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.396 0.047 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.016 -0.149 -1.680 1.00 0.00 H new ATOM 303 N LEU A 20 12.814 -1.753 -2.339 1.00 0.00 N ATOM 304 CA LEU A 20 11.717 -2.617 -1.829 1.00 0.00 C ATOM 305 C LEU A 20 11.024 -3.323 -2.995 1.00 0.00 C ATOM 306 O LEU A 20 10.681 -4.485 -2.917 1.00 0.00 O ATOM 307 CB LEU A 20 10.776 -1.633 -1.115 1.00 0.00 C ATOM 308 CG LEU A 20 9.318 -2.104 -1.199 1.00 0.00 C ATOM 309 CD1 LEU A 20 9.136 -3.371 -0.362 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.400 -1.002 -0.669 1.00 0.00 C ATOM 0 H LEU A 20 12.686 -0.754 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 20 12.058 -3.408 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.071 -1.536 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.869 -0.645 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 20 9.066 -2.322 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.099 -3.702 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.791 -4.155 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.388 -3.160 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.363 -1.333 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.654 -0.785 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.528 -0.102 -1.270 1.00 0.00 H new ATOM 322 N LEU A 21 10.730 -2.598 -4.035 1.00 0.00 N ATOM 323 CA LEU A 21 9.953 -3.196 -5.157 1.00 0.00 C ATOM 324 C LEU A 21 10.693 -4.415 -5.710 1.00 0.00 C ATOM 325 O LEU A 21 10.166 -5.509 -5.742 1.00 0.00 O ATOM 326 CB LEU A 21 9.856 -2.086 -6.207 1.00 0.00 C ATOM 327 CG LEU A 21 8.448 -1.479 -6.189 1.00 0.00 C ATOM 328 CD1 LEU A 21 8.306 -0.507 -5.010 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.207 -0.723 -7.498 1.00 0.00 C ATOM 0 H LEU A 21 10.992 -1.620 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 21 8.966 -3.541 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.598 -1.314 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.077 -2.487 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 21 7.716 -2.280 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.302 -0.082 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.476 -1.041 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.039 0.294 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.207 -0.290 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.946 0.072 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.297 -1.412 -8.338 1.00 0.00 H new ATOM 341 N GLU A 22 11.956 -4.264 -5.993 1.00 0.00 N ATOM 342 CA GLU A 22 12.781 -5.449 -6.366 1.00 0.00 C ATOM 343 C GLU A 22 12.801 -6.449 -5.207 1.00 0.00 C ATOM 344 O GLU A 22 12.882 -7.646 -5.405 1.00 0.00 O ATOM 345 CB GLU A 22 14.182 -4.897 -6.624 1.00 0.00 C ATOM 346 CG GLU A 22 15.115 -6.045 -7.017 1.00 0.00 C ATOM 347 CD GLU A 22 16.519 -5.496 -7.277 1.00 0.00 C ATOM 348 OE1 GLU A 22 16.660 -4.286 -7.328 1.00 0.00 O ATOM 349 OE2 GLU A 22 17.429 -6.296 -7.421 1.00 0.00 O ATOM 0 H GLU A 22 12.453 -3.374 -5.983 1.00 0.00 H new ATOM 0 HA GLU A 22 12.389 -5.972 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.151 -4.151 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.558 -4.397 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.146 -6.791 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.738 -6.545 -7.909 1.00 0.00 H new ATOM 356 N GLN A 23 12.836 -5.955 -4.001 1.00 0.00 N ATOM 357 CA GLN A 23 12.977 -6.856 -2.821 1.00 0.00 C ATOM 358 C GLN A 23 11.808 -7.845 -2.760 1.00 0.00 C ATOM 359 O GLN A 23 11.972 -8.984 -2.370 1.00 0.00 O ATOM 360 CB GLN A 23 12.961 -5.921 -1.610 1.00 0.00 C ATOM 361 CG GLN A 23 13.171 -6.734 -0.333 1.00 0.00 C ATOM 362 CD GLN A 23 13.368 -5.784 0.850 1.00 0.00 C ATOM 363 OE1 GLN A 23 13.378 -6.264 2.063 1.00 0.00 O flip ATOM 364 NE2 GLN A 23 13.523 -4.593 0.668 1.00 0.00 N flip ATOM 0 H GLN A 23 12.773 -4.961 -3.780 1.00 0.00 H new ATOM 0 HA GLN A 23 13.887 -7.454 -2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.744 -5.169 -1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.012 -5.388 -1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.311 -7.380 -0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.040 -7.383 -0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.515 -4.217 -0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.661 -3.969 1.463 1.00 0.00 H new ATOM 373 N ILE A 24 10.635 -7.430 -3.155 1.00 0.00 N ATOM 374 CA ILE A 24 9.472 -8.367 -3.130 1.00 0.00 C ATOM 375 C ILE A 24 9.770 -9.567 -4.028 1.00 0.00 C ATOM 376 O ILE A 24 9.631 -10.704 -3.632 1.00 0.00 O ATOM 377 CB ILE A 24 8.290 -7.578 -3.699 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.078 -6.278 -2.915 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.025 -8.434 -3.610 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.882 -6.584 -1.430 1.00 0.00 C ATOM 0 H ILE A 24 10.431 -6.489 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 24 9.265 -8.735 -2.125 1.00 0.00 H new ATOM 0 HB ILE A 24 8.503 -7.328 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.937 -5.620 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.208 -5.748 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.180 -7.877 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.164 -9.350 -4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.829 -8.686 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.732 -5.653 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.009 -7.224 -1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.765 -7.094 -1.044 1.00 0.00 H new ATOM 392 N LYS A 25 10.201 -9.322 -5.233 1.00 0.00 N ATOM 393 CA LYS A 25 10.533 -10.452 -6.142 1.00 0.00 C ATOM 394 C LYS A 25 11.653 -11.299 -5.529 1.00 0.00 C ATOM 395 O LYS A 25 11.563 -12.508 -5.459 1.00 0.00 O ATOM 396 CB LYS A 25 11.002 -9.788 -7.437 1.00 0.00 C ATOM 397 CG LYS A 25 9.811 -9.120 -8.129 1.00 0.00 C ATOM 398 CD LYS A 25 10.279 -8.454 -9.425 1.00 0.00 C ATOM 399 CE LYS A 25 9.087 -7.786 -10.115 1.00 0.00 C ATOM 400 NZ LYS A 25 9.690 -6.745 -10.994 1.00 0.00 N ATOM 0 H LYS A 25 10.337 -8.391 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 25 9.687 -11.118 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.772 -9.048 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.450 -10.531 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.041 -9.861 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.362 -8.378 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.049 -7.714 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.727 -9.196 -10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.510 -8.507 -10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.406 -7.344 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.936 -6.241 -11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.227 -6.070 -10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.328 -7.197 -11.680 1.00 0.00 H new ATOM 414 N ASN A 26 12.686 -10.666 -5.040 1.00 0.00 N ATOM 415 CA ASN A 26 13.786 -11.430 -4.379 1.00 0.00 C ATOM 416 C ASN A 26 13.247 -12.205 -3.180 1.00 0.00 C ATOM 417 O ASN A 26 13.536 -13.371 -2.997 1.00 0.00 O ATOM 418 CB ASN A 26 14.779 -10.370 -3.901 1.00 0.00 C ATOM 419 CG ASN A 26 16.133 -11.029 -3.634 1.00 0.00 C ATOM 420 OD1 ASN A 26 16.660 -10.939 -2.541 1.00 0.00 O ATOM 421 ND2 ASN A 26 16.722 -11.693 -4.589 1.00 0.00 N ATOM 0 H ASN A 26 12.816 -9.655 -5.069 1.00 0.00 H new ATOM 0 HA ASN A 26 14.242 -12.151 -5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.884 -9.588 -4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.409 -9.892 -2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.625 -12.137 -4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.280 -11.768 -5.505 1.00 0.00 H new ATOM 428 N GLY A 27 12.578 -11.525 -2.293 1.00 0.00 N ATOM 429 CA GLY A 27 12.149 -12.168 -1.024 1.00 0.00 C ATOM 430 C GLY A 27 10.652 -12.474 -1.079 1.00 0.00 C ATOM 431 O GLY A 27 10.239 -13.603 -0.906 1.00 0.00 O ATOM 0 H GLY A 27 12.309 -10.546 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.712 -13.087 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.365 -11.511 -0.182 1.00 0.00 H new ATOM 435 N ALA A 28 9.845 -11.475 -1.351 1.00 0.00 N ATOM 436 CA ALA A 28 8.364 -11.682 -1.471 1.00 0.00 C ATOM 437 C ALA A 28 7.719 -11.762 -0.088 1.00 0.00 C ATOM 438 O ALA A 28 7.696 -12.802 0.540 1.00 0.00 O ATOM 439 CB ALA A 28 8.167 -12.986 -2.248 1.00 0.00 C ATOM 0 H ALA A 28 10.153 -10.513 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 28 7.890 -10.849 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.101 -13.183 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.628 -12.897 -3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.631 -13.808 -1.703 1.00 0.00 H new ATOM 445 N ASP A 29 7.217 -10.662 0.400 1.00 0.00 N ATOM 446 CA ASP A 29 6.597 -10.661 1.753 1.00 0.00 C ATOM 447 C ASP A 29 6.034 -9.269 2.064 1.00 0.00 C ATOM 448 O ASP A 29 6.690 -8.447 2.670 1.00 0.00 O ATOM 449 CB ASP A 29 7.747 -11.008 2.694 1.00 0.00 C ATOM 450 CG ASP A 29 7.448 -12.324 3.419 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.398 -12.892 3.171 1.00 0.00 O ATOM 452 OD2 ASP A 29 8.279 -12.743 4.209 1.00 0.00 O ATOM 0 H ASP A 29 7.210 -9.763 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 29 5.768 -11.363 1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.676 -11.096 2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.889 -10.207 3.420 1.00 0.00 H new ATOM 457 N PHE A 30 4.873 -8.967 1.554 1.00 0.00 N ATOM 458 CA PHE A 30 4.326 -7.585 1.706 1.00 0.00 C ATOM 459 C PHE A 30 4.154 -7.217 3.183 1.00 0.00 C ATOM 460 O PHE A 30 4.509 -6.135 3.604 1.00 0.00 O ATOM 461 CB PHE A 30 2.967 -7.615 1.003 1.00 0.00 C ATOM 462 CG PHE A 30 3.141 -7.261 -0.457 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.362 -5.927 -0.828 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.081 -8.260 -1.439 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.522 -5.593 -2.180 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.241 -7.925 -2.791 1.00 0.00 C ATOM 467 CZ PHE A 30 3.462 -6.591 -3.161 1.00 0.00 C ATOM 0 H PHE A 30 4.278 -9.615 1.038 1.00 0.00 H new ATOM 0 HA PHE A 30 4.997 -6.840 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.520 -8.605 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.285 -6.911 1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.409 -5.157 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.911 -9.288 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.692 -4.565 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.194 -8.695 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.586 -6.333 -4.202 1.00 0.00 H new ATOM 477 N GLY A 31 3.523 -8.061 3.952 1.00 0.00 N ATOM 478 CA GLY A 31 3.228 -7.694 5.367 1.00 0.00 C ATOM 479 C GLY A 31 4.531 -7.542 6.154 1.00 0.00 C ATOM 480 O GLY A 31 4.718 -6.588 6.887 1.00 0.00 O ATOM 0 H GLY A 31 3.200 -8.985 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.664 -6.762 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.604 -8.460 5.827 1.00 0.00 H new ATOM 484 N LYS A 32 5.402 -8.509 6.072 1.00 0.00 N ATOM 485 CA LYS A 32 6.648 -8.454 6.889 1.00 0.00 C ATOM 486 C LYS A 32 7.540 -7.300 6.424 1.00 0.00 C ATOM 487 O LYS A 32 8.116 -6.588 7.224 1.00 0.00 O ATOM 488 CB LYS A 32 7.332 -9.801 6.650 1.00 0.00 C ATOM 489 CG LYS A 32 6.516 -10.910 7.319 1.00 0.00 C ATOM 490 CD LYS A 32 7.194 -12.262 7.085 1.00 0.00 C ATOM 491 CE LYS A 32 6.373 -13.368 7.757 1.00 0.00 C ATOM 492 NZ LYS A 32 7.050 -13.614 9.063 1.00 0.00 N ATOM 0 H LYS A 32 5.306 -9.332 5.477 1.00 0.00 H new ATOM 0 HA LYS A 32 6.444 -8.282 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.419 -9.993 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.344 -9.784 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.429 -10.716 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.504 -10.925 6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.281 -12.457 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.206 -12.248 7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.338 -13.058 7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.353 -14.271 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.544 -14.360 9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.031 -13.914 8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.047 -12.739 9.626 1.00 0.00 H new ATOM 506 N LEU A 33 7.633 -7.083 5.140 1.00 0.00 N ATOM 507 CA LEU A 33 8.458 -5.948 4.636 1.00 0.00 C ATOM 508 C LEU A 33 7.841 -4.614 5.050 1.00 0.00 C ATOM 509 O LEU A 33 8.536 -3.686 5.409 1.00 0.00 O ATOM 510 CB LEU A 33 8.456 -6.092 3.115 1.00 0.00 C ATOM 511 CG LEU A 33 9.280 -7.317 2.721 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.272 -7.469 1.199 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.718 -7.137 3.209 1.00 0.00 C ATOM 0 H LEU A 33 7.175 -7.641 4.420 1.00 0.00 H new ATOM 0 HA LEU A 33 9.469 -5.967 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.434 -6.194 2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.872 -5.196 2.653 1.00 0.00 H new ATOM 0 HG LEU A 33 8.849 -8.209 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.860 -8.343 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.247 -7.594 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.704 -6.579 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.309 -8.009 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.148 -6.246 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.723 -7.027 4.293 1.00 0.00 H new ATOM 525 N ALA A 34 6.544 -4.502 4.997 1.00 0.00 N ATOM 526 CA ALA A 34 5.899 -3.218 5.380 1.00 0.00 C ATOM 527 C ALA A 34 6.250 -2.865 6.824 1.00 0.00 C ATOM 528 O ALA A 34 6.681 -1.769 7.117 1.00 0.00 O ATOM 529 CB ALA A 34 4.399 -3.482 5.249 1.00 0.00 C ATOM 0 H ALA A 34 5.905 -5.242 4.706 1.00 0.00 H new ATOM 0 HA ALA A 34 6.227 -2.386 4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.846 -2.581 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.167 -3.760 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.113 -4.294 5.918 1.00 0.00 H new ATOM 535 N LYS A 35 6.044 -3.776 7.731 1.00 0.00 N ATOM 536 CA LYS A 35 6.339 -3.478 9.162 1.00 0.00 C ATOM 537 C LYS A 35 7.820 -3.127 9.349 1.00 0.00 C ATOM 538 O LYS A 35 8.162 -2.223 10.085 1.00 0.00 O ATOM 539 CB LYS A 35 5.983 -4.760 9.909 1.00 0.00 C ATOM 540 CG LYS A 35 4.466 -4.948 9.878 1.00 0.00 C ATOM 541 CD LYS A 35 4.090 -6.229 10.624 1.00 0.00 C ATOM 542 CE LYS A 35 2.570 -6.409 10.587 1.00 0.00 C ATOM 543 NZ LYS A 35 2.255 -6.696 9.158 1.00 0.00 N ATOM 0 H LYS A 35 5.685 -4.713 7.546 1.00 0.00 H new ATOM 0 HA LYS A 35 5.774 -2.621 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.478 -5.615 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.335 -4.706 10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.974 -4.091 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.117 -5.001 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.581 -7.088 10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.437 -6.177 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.253 -7.227 11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.057 -5.512 10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.454 -7.357 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.006 -5.810 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.085 -7.121 8.698 1.00 0.00 H new ATOM 557 N LYS A 36 8.703 -3.892 8.764 1.00 0.00 N ATOM 558 CA LYS A 36 10.158 -3.660 9.001 1.00 0.00 C ATOM 559 C LYS A 36 10.609 -2.337 8.372 1.00 0.00 C ATOM 560 O LYS A 36 11.346 -1.575 8.966 1.00 0.00 O ATOM 561 CB LYS A 36 10.858 -4.837 8.320 1.00 0.00 C ATOM 562 CG LYS A 36 10.473 -6.139 9.025 1.00 0.00 C ATOM 563 CD LYS A 36 11.174 -7.315 8.342 1.00 0.00 C ATOM 564 CE LYS A 36 10.791 -8.617 9.047 1.00 0.00 C ATOM 565 NZ LYS A 36 11.585 -9.673 8.357 1.00 0.00 N ATOM 0 H LYS A 36 8.481 -4.664 8.135 1.00 0.00 H new ATOM 0 HA LYS A 36 10.392 -3.595 10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.575 -4.883 7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.939 -4.699 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.757 -6.093 10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.392 -6.277 8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.889 -7.361 7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.255 -7.176 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.028 -8.575 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.721 -8.810 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.377 -10.598 8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.333 -9.693 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.599 -9.465 8.457 1.00 0.00 H new ATOM 579 N HIS A 37 10.239 -2.098 7.144 1.00 0.00 N ATOM 580 CA HIS A 37 10.722 -0.872 6.441 1.00 0.00 C ATOM 581 C HIS A 37 9.995 0.372 6.958 1.00 0.00 C ATOM 582 O HIS A 37 10.599 1.397 7.206 1.00 0.00 O ATOM 583 CB HIS A 37 10.392 -1.115 4.969 1.00 0.00 C ATOM 584 CG HIS A 37 11.288 -2.196 4.431 1.00 0.00 C ATOM 585 ND1 HIS A 37 12.590 -2.532 4.713 1.00 0.00 N flip ATOM 586 CD2 HIS A 37 10.863 -3.100 3.471 1.00 0.00 C flip ATOM 587 CE1 HIS A 37 12.968 -3.628 3.941 1.00 0.00 C flip ATOM 588 NE2 HIS A 37 11.891 -3.929 3.212 1.00 0.00 N flip ATOM 0 H HIS A 37 9.623 -2.698 6.595 1.00 0.00 H new ATOM 0 HA HIS A 37 11.785 -0.697 6.603 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.347 -1.406 4.862 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.527 -0.197 4.398 1.00 0.00 H new ATOM 0 HD1 HIS A 37 13.189 -2.052 5.385 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.885 -3.133 3.014 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.926 -4.127 3.934 1.00 0.00 H new ATOM 596 N SER A 38 8.701 0.298 7.104 1.00 0.00 N ATOM 597 CA SER A 38 7.938 1.484 7.583 1.00 0.00 C ATOM 598 C SER A 38 8.426 1.898 8.972 1.00 0.00 C ATOM 599 O SER A 38 8.665 3.061 9.229 1.00 0.00 O ATOM 600 CB SER A 38 6.482 1.020 7.641 1.00 0.00 C ATOM 601 OG SER A 38 5.646 2.122 7.959 1.00 0.00 O ATOM 0 H SER A 38 8.140 -0.532 6.912 1.00 0.00 H new ATOM 0 HA SER A 38 8.064 2.349 6.932 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.188 0.591 6.683 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.369 0.236 8.390 1.00 0.00 H new ATOM 0 HG SER A 38 5.716 2.320 8.916 1.00 0.00 H new ATOM 607 N ILE A 39 8.580 0.946 9.860 1.00 0.00 N ATOM 608 CA ILE A 39 9.058 1.255 11.244 1.00 0.00 C ATOM 609 C ILE A 39 8.497 2.599 11.726 1.00 0.00 C ATOM 610 O ILE A 39 9.117 3.305 12.496 1.00 0.00 O ATOM 611 CB ILE A 39 10.588 1.293 11.134 1.00 0.00 C ATOM 612 CG1 ILE A 39 11.201 1.144 12.527 1.00 0.00 C ATOM 613 CG2 ILE A 39 11.044 2.618 10.513 1.00 0.00 C ATOM 614 CD1 ILE A 39 12.723 1.036 12.404 1.00 0.00 C ATOM 0 H ILE A 39 8.393 -0.041 9.683 1.00 0.00 H new ATOM 0 HA ILE A 39 8.725 0.515 11.972 1.00 0.00 H new ATOM 0 HB ILE A 39 10.918 0.473 10.496 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.935 2.000 13.147 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.801 0.258 13.019 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.132 2.631 10.441 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.613 2.720 9.517 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.712 3.446 11.139 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.162 0.930 13.396 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.978 0.166 11.799 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.114 1.935 11.929 1.00 0.00 H new ATOM 626 N CYS A 40 7.331 2.963 11.260 1.00 0.00 N ATOM 627 CA CYS A 40 6.734 4.270 11.663 1.00 0.00 C ATOM 628 C CYS A 40 5.370 4.042 12.327 1.00 0.00 C ATOM 629 O CYS A 40 4.875 2.932 12.358 1.00 0.00 O ATOM 630 CB CYS A 40 6.595 5.051 10.349 1.00 0.00 C ATOM 631 SG CYS A 40 5.193 4.416 9.390 1.00 0.00 S ATOM 0 H CYS A 40 6.765 2.410 10.616 1.00 0.00 H new ATOM 0 HA CYS A 40 7.341 4.810 12.389 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.451 6.110 10.560 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.512 4.964 9.767 1.00 0.00 H new ATOM 0 HG CYS A 40 5.635 3.722 8.384 1.00 0.00 H new ATOM 637 N PRO A 41 4.823 5.095 12.877 1.00 0.00 N ATOM 638 CA PRO A 41 3.529 4.989 13.592 1.00 0.00 C ATOM 639 C PRO A 41 2.507 4.236 12.735 1.00 0.00 C ATOM 640 O PRO A 41 1.665 3.520 13.239 1.00 0.00 O ATOM 641 CB PRO A 41 3.102 6.440 13.796 1.00 0.00 C ATOM 642 CG PRO A 41 4.363 7.244 13.713 1.00 0.00 C ATOM 643 CD PRO A 41 5.350 6.465 12.881 1.00 0.00 C ATOM 0 HA PRO A 41 3.605 4.441 14.531 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.388 6.750 13.033 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.614 6.573 14.762 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.167 8.217 13.262 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.765 7.429 14.709 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.421 6.866 11.870 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.351 6.505 13.311 1.00 0.00 H new ATOM 651 N SER A 42 2.606 4.358 11.440 1.00 0.00 N ATOM 652 CA SER A 42 1.677 3.615 10.546 1.00 0.00 C ATOM 653 C SER A 42 2.379 2.386 9.966 1.00 0.00 C ATOM 654 O SER A 42 1.874 1.736 9.075 1.00 0.00 O ATOM 655 CB SER A 42 1.310 4.600 9.435 1.00 0.00 C ATOM 656 OG SER A 42 2.389 5.499 9.224 1.00 0.00 O ATOM 0 H SER A 42 3.292 4.942 10.962 1.00 0.00 H new ATOM 0 HA SER A 42 0.793 3.259 11.075 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.087 4.060 8.515 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.410 5.152 9.706 1.00 0.00 H new ATOM 0 HG SER A 42 3.174 5.001 8.914 1.00 0.00 H new ATOM 662 N GLY A 43 3.488 2.004 10.530 1.00 0.00 N ATOM 663 CA GLY A 43 4.146 0.750 10.077 1.00 0.00 C ATOM 664 C GLY A 43 3.364 -0.442 10.628 1.00 0.00 C ATOM 665 O GLY A 43 2.844 -1.253 9.888 1.00 0.00 O ATOM 0 H GLY A 43 3.965 2.503 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.176 0.711 8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.178 0.718 10.425 1.00 0.00 H new ATOM 669 N LYS A 44 3.241 -0.530 11.923 1.00 0.00 N ATOM 670 CA LYS A 44 2.449 -1.639 12.526 1.00 0.00 C ATOM 671 C LYS A 44 0.997 -1.591 12.037 1.00 0.00 C ATOM 672 O LYS A 44 0.369 -2.611 11.835 1.00 0.00 O ATOM 673 CB LYS A 44 2.513 -1.402 14.034 1.00 0.00 C ATOM 674 CG LYS A 44 1.855 -2.576 14.759 1.00 0.00 C ATOM 675 CD LYS A 44 2.732 -3.819 14.606 1.00 0.00 C ATOM 676 CE LYS A 44 2.154 -4.961 15.444 1.00 0.00 C ATOM 677 NZ LYS A 44 2.470 -6.196 14.672 1.00 0.00 N ATOM 0 H LYS A 44 3.656 0.119 12.591 1.00 0.00 H new ATOM 0 HA LYS A 44 2.842 -2.617 12.249 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.550 -1.298 14.353 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.006 -0.472 14.289 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.722 -2.338 15.814 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.863 -2.763 14.347 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.783 -4.113 13.558 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.751 -3.599 14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.602 -4.989 16.437 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.079 -4.845 15.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.106 -7.026 15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.025 -6.142 13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.501 -6.282 14.561 1.00 0.00 H new ATOM 691 N ARG A 45 0.431 -0.417 11.929 1.00 0.00 N ATOM 692 CA ARG A 45 -1.008 -0.320 11.553 1.00 0.00 C ATOM 693 C ARG A 45 -1.155 -0.030 10.053 1.00 0.00 C ATOM 694 O ARG A 45 -2.020 -0.568 9.390 1.00 0.00 O ATOM 695 CB ARG A 45 -1.548 0.838 12.399 1.00 0.00 C ATOM 696 CG ARG A 45 -2.866 1.337 11.810 1.00 0.00 C ATOM 697 CD ARG A 45 -3.945 0.269 11.990 1.00 0.00 C ATOM 698 NE ARG A 45 -5.214 0.930 11.570 1.00 0.00 N ATOM 699 CZ ARG A 45 -5.741 1.871 12.308 1.00 0.00 C ATOM 700 NH1 ARG A 45 -5.166 2.231 13.425 1.00 0.00 N ATOM 701 NH2 ARG A 45 -6.848 2.450 11.930 1.00 0.00 N ATOM 0 H ARG A 45 0.902 0.474 12.084 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.553 -1.246 11.735 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.700 0.510 13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.821 1.650 12.427 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.169 2.261 12.302 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.740 1.566 10.752 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.737 -0.610 11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.999 -0.067 13.025 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.672 0.647 10.704 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.303 1.777 13.724 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.580 2.966 13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.300 2.168 11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.261 3.185 12.504 1.00 0.00 H new ATOM 715 N GLY A 46 -0.334 0.831 9.520 1.00 0.00 N ATOM 716 CA GLY A 46 -0.440 1.173 8.073 1.00 0.00 C ATOM 717 C GLY A 46 0.007 -0.021 7.223 1.00 0.00 C ATOM 718 O GLY A 46 -0.479 -0.232 6.130 1.00 0.00 O ATOM 0 H GLY A 46 0.408 1.314 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.468 1.441 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.178 2.042 7.849 1.00 0.00 H new ATOM 722 N GLY A 47 0.914 -0.817 7.726 1.00 0.00 N ATOM 723 CA GLY A 47 1.370 -2.012 6.956 1.00 0.00 C ATOM 724 C GLY A 47 0.242 -3.046 6.890 1.00 0.00 C ATOM 725 O GLY A 47 0.344 -4.051 6.216 1.00 0.00 O ATOM 0 H GLY A 47 1.358 -0.692 8.636 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.665 -1.717 5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.249 -2.448 7.430 1.00 0.00 H new ATOM 729 N ASP A 48 -0.839 -2.795 7.573 1.00 0.00 N ATOM 730 CA ASP A 48 -1.990 -3.737 7.547 1.00 0.00 C ATOM 731 C ASP A 48 -3.163 -3.093 8.284 1.00 0.00 C ATOM 732 O ASP A 48 -3.442 -3.400 9.426 1.00 0.00 O ATOM 733 CB ASP A 48 -1.504 -4.986 8.285 1.00 0.00 C ATOM 734 CG ASP A 48 -2.602 -6.051 8.260 1.00 0.00 C ATOM 735 OD1 ASP A 48 -3.758 -5.687 8.396 1.00 0.00 O ATOM 736 OD2 ASP A 48 -2.268 -7.214 8.102 1.00 0.00 O ATOM 0 H ASP A 48 -0.975 -1.968 8.154 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.322 -3.982 6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.599 -5.370 7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.247 -4.737 9.315 1.00 0.00 H new ATOM 741 N LEU A 49 -3.762 -2.104 7.679 1.00 0.00 N ATOM 742 CA LEU A 49 -4.815 -1.322 8.387 1.00 0.00 C ATOM 743 C LEU A 49 -6.070 -2.177 8.576 1.00 0.00 C ATOM 744 O LEU A 49 -6.840 -1.972 9.492 1.00 0.00 O ATOM 745 CB LEU A 49 -5.101 -0.119 7.478 1.00 0.00 C ATOM 746 CG LEU A 49 -3.912 0.850 7.509 1.00 0.00 C ATOM 747 CD1 LEU A 49 -3.767 1.516 6.139 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.152 1.925 8.569 1.00 0.00 C ATOM 0 H LEU A 49 -3.567 -1.803 6.724 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.499 -1.006 9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.280 -0.457 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.006 0.391 7.808 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.003 0.300 7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.923 2.205 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.596 0.753 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.679 2.065 5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.306 2.612 8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.061 2.476 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.260 1.455 9.546 1.00 0.00 H new ATOM 760 N GLY A 50 -6.284 -3.132 7.711 1.00 0.00 N ATOM 761 CA GLY A 50 -7.490 -3.992 7.841 1.00 0.00 C ATOM 762 C GLY A 50 -8.421 -3.738 6.656 1.00 0.00 C ATOM 763 O GLY A 50 -7.993 -3.320 5.597 1.00 0.00 O ATOM 0 H GLY A 50 -5.676 -3.352 6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.200 -5.042 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.006 -3.776 8.777 1.00 0.00 H new ATOM 767 N GLU A 51 -9.689 -3.982 6.824 1.00 0.00 N ATOM 768 CA GLU A 51 -10.645 -3.748 5.707 1.00 0.00 C ATOM 769 C GLU A 51 -11.480 -2.496 5.991 1.00 0.00 C ATOM 770 O GLU A 51 -12.073 -2.363 7.042 1.00 0.00 O ATOM 771 CB GLU A 51 -11.533 -4.994 5.683 1.00 0.00 C ATOM 772 CG GLU A 51 -12.395 -4.985 4.420 1.00 0.00 C ATOM 773 CD GLU A 51 -13.283 -6.231 4.398 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.147 -7.047 5.295 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.084 -6.348 3.486 1.00 0.00 O ATOM 0 H GLU A 51 -10.105 -4.333 7.686 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.144 -3.588 4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.917 -5.893 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.168 -5.018 6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.011 -4.086 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.760 -4.962 3.534 1.00 0.00 H new ATOM 782 N PHE A 52 -11.566 -1.594 5.050 1.00 0.00 N ATOM 783 CA PHE A 52 -12.406 -0.379 5.270 1.00 0.00 C ATOM 784 C PHE A 52 -13.327 -0.133 4.071 1.00 0.00 C ATOM 785 O PHE A 52 -13.231 -0.794 3.058 1.00 0.00 O ATOM 786 CB PHE A 52 -11.427 0.789 5.448 1.00 0.00 C ATOM 787 CG PHE A 52 -10.259 0.684 4.487 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.473 0.441 3.120 1.00 0.00 C ATOM 789 CD2 PHE A 52 -8.952 0.865 4.965 1.00 0.00 C ATOM 790 CE1 PHE A 52 -9.385 0.380 2.240 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.864 0.798 4.084 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.082 0.558 2.721 1.00 0.00 C ATOM 0 H PHE A 52 -11.096 -1.644 4.146 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.049 -0.495 6.143 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.950 1.732 5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.057 0.802 6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.477 0.301 2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.784 1.056 6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.551 0.195 1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.859 0.931 4.455 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.244 0.510 2.041 1.00 0.00 H new ATOM 802 N ARG A 53 -14.213 0.821 4.178 1.00 0.00 N ATOM 803 CA ARG A 53 -15.130 1.121 3.039 1.00 0.00 C ATOM 804 C ARG A 53 -14.811 2.499 2.451 1.00 0.00 C ATOM 805 O ARG A 53 -13.882 3.159 2.869 1.00 0.00 O ATOM 806 CB ARG A 53 -16.540 1.102 3.630 1.00 0.00 C ATOM 807 CG ARG A 53 -16.643 2.148 4.740 1.00 0.00 C ATOM 808 CD ARG A 53 -18.111 2.349 5.115 1.00 0.00 C ATOM 809 NE ARG A 53 -18.158 3.693 5.758 1.00 0.00 N ATOM 810 CZ ARG A 53 -19.290 4.168 6.208 1.00 0.00 C ATOM 811 NH1 ARG A 53 -20.382 3.457 6.123 1.00 0.00 N ATOM 812 NH2 ARG A 53 -19.328 5.356 6.747 1.00 0.00 N ATOM 0 H ARG A 53 -14.342 1.405 5.004 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.025 0.397 2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.275 1.309 2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.766 0.112 4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -16.074 1.826 5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.209 3.091 4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.753 2.308 4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.455 1.572 5.797 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.304 4.244 5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -20.354 2.527 5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -21.263 3.831 6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.476 5.912 6.817 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.210 5.728 7.099 1.00 0.00 H new ATOM 826 N GLN A 54 -15.487 2.873 1.398 1.00 0.00 N ATOM 827 CA GLN A 54 -15.122 4.132 0.681 1.00 0.00 C ATOM 828 C GLN A 54 -15.258 5.354 1.598 1.00 0.00 C ATOM 829 O GLN A 54 -14.784 6.427 1.281 1.00 0.00 O ATOM 830 CB GLN A 54 -16.102 4.224 -0.489 1.00 0.00 C ATOM 831 CG GLN A 54 -17.536 4.277 0.040 1.00 0.00 C ATOM 832 CD GLN A 54 -18.511 4.227 -1.138 1.00 0.00 C ATOM 833 OE1 GLN A 54 -18.299 3.497 -2.087 1.00 0.00 O ATOM 834 NE2 GLN A 54 -19.576 4.981 -1.122 1.00 0.00 N ATOM 0 H GLN A 54 -16.276 2.362 1.002 1.00 0.00 H new ATOM 0 HA GLN A 54 -14.084 4.117 0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -15.891 5.113 -1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -15.979 3.364 -1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -17.719 3.440 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -17.690 5.189 0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -19.755 5.594 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.229 4.957 -1.905 1.00 0.00 H new ATOM 843 N GLY A 55 -15.860 5.200 2.746 1.00 0.00 N ATOM 844 CA GLY A 55 -15.973 6.355 3.688 1.00 0.00 C ATOM 845 C GLY A 55 -14.694 6.461 4.529 1.00 0.00 C ATOM 846 O GLY A 55 -14.741 6.687 5.722 1.00 0.00 O ATOM 0 H GLY A 55 -16.278 4.329 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.131 7.278 3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.838 6.224 4.338 1.00 0.00 H new ATOM 850 N GLN A 56 -13.551 6.292 3.916 1.00 0.00 N ATOM 851 CA GLN A 56 -12.265 6.371 4.672 1.00 0.00 C ATOM 852 C GLN A 56 -11.083 6.187 3.726 1.00 0.00 C ATOM 853 O GLN A 56 -9.977 6.599 4.016 1.00 0.00 O ATOM 854 CB GLN A 56 -12.268 5.227 5.698 1.00 0.00 C ATOM 855 CG GLN A 56 -13.038 3.996 5.191 1.00 0.00 C ATOM 856 CD GLN A 56 -13.475 3.157 6.393 1.00 0.00 C ATOM 857 OE1 GLN A 56 -12.659 2.544 7.053 1.00 0.00 O ATOM 858 NE2 GLN A 56 -14.738 3.113 6.716 1.00 0.00 N ATOM 0 H GLN A 56 -13.453 6.102 2.919 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.172 7.343 5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.241 4.943 5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.716 5.576 6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.908 4.307 4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.408 3.404 4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.424 3.627 6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.040 2.565 7.521 1.00 0.00 H new ATOM 867 N MET A 57 -11.259 5.395 2.710 1.00 0.00 N ATOM 868 CA MET A 57 -10.096 4.985 1.888 1.00 0.00 C ATOM 869 C MET A 57 -9.226 6.194 1.527 1.00 0.00 C ATOM 870 O MET A 57 -9.718 7.263 1.223 1.00 0.00 O ATOM 871 CB MET A 57 -10.707 4.380 0.626 1.00 0.00 C ATOM 872 CG MET A 57 -11.373 3.043 0.956 1.00 0.00 C ATOM 873 SD MET A 57 -12.089 2.346 -0.553 1.00 0.00 S ATOM 874 CE MET A 57 -12.606 0.759 0.144 1.00 0.00 C ATOM 0 H MET A 57 -12.158 5.015 2.414 1.00 0.00 H new ATOM 0 HA MET A 57 -9.451 4.285 2.419 1.00 0.00 H new ATOM 0 HB2 MET A 57 -11.440 5.066 0.202 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.934 4.234 -0.128 1.00 0.00 H new ATOM 0 HG2 MET A 57 -10.642 2.353 1.378 1.00 0.00 H new ATOM 0 HG3 MET A 57 -12.148 3.185 1.709 1.00 0.00 H new ATOM 0 HE1 MET A 57 -13.477 0.390 -0.398 1.00 0.00 H new ATOM 0 HE2 MET A 57 -11.792 0.040 0.055 1.00 0.00 H new ATOM 0 HE3 MET A 57 -12.861 0.889 1.196 1.00 0.00 H new ATOM 884 N VAL A 58 -7.935 6.010 1.516 1.00 0.00 N ATOM 885 CA VAL A 58 -7.014 7.118 1.124 1.00 0.00 C ATOM 886 C VAL A 58 -7.115 7.379 -0.387 1.00 0.00 C ATOM 887 O VAL A 58 -7.138 6.456 -1.175 1.00 0.00 O ATOM 888 CB VAL A 58 -5.619 6.612 1.509 1.00 0.00 C ATOM 889 CG1 VAL A 58 -5.354 5.286 0.801 1.00 0.00 C ATOM 890 CG2 VAL A 58 -4.558 7.630 1.094 1.00 0.00 C ATOM 0 H VAL A 58 -7.474 5.134 1.763 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.252 8.062 1.615 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.573 6.472 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.363 4.921 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.104 4.556 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.405 5.433 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.571 7.261 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.599 7.779 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.746 8.578 1.598 1.00 0.00 H new ATOM 900 N PRO A 59 -7.275 8.631 -0.728 1.00 0.00 N ATOM 901 CA PRO A 59 -7.507 9.030 -2.139 1.00 0.00 C ATOM 902 C PRO A 59 -6.567 8.281 -3.091 1.00 0.00 C ATOM 903 O PRO A 59 -6.976 7.811 -4.135 1.00 0.00 O ATOM 904 CB PRO A 59 -7.214 10.536 -2.156 1.00 0.00 C ATOM 905 CG PRO A 59 -6.833 10.911 -0.749 1.00 0.00 C ATOM 906 CD PRO A 59 -7.253 9.786 0.158 1.00 0.00 C ATOM 0 HA PRO A 59 -8.517 8.794 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.407 10.767 -2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.088 11.098 -2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.758 11.079 -0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.322 11.840 -0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.551 9.649 0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.231 9.971 0.602 1.00 0.00 H new ATOM 914 N ALA A 60 -5.311 8.183 -2.757 1.00 0.00 N ATOM 915 CA ALA A 60 -4.352 7.484 -3.662 1.00 0.00 C ATOM 916 C ALA A 60 -4.801 6.037 -3.881 1.00 0.00 C ATOM 917 O ALA A 60 -4.778 5.531 -4.985 1.00 0.00 O ATOM 918 CB ALA A 60 -3.009 7.531 -2.931 1.00 0.00 C ATOM 0 H ALA A 60 -4.906 8.555 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.291 7.950 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.249 7.035 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.721 8.569 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.099 7.022 -1.971 1.00 0.00 H new ATOM 924 N PHE A 61 -5.305 5.406 -2.858 1.00 0.00 N ATOM 925 CA PHE A 61 -5.870 4.036 -3.030 1.00 0.00 C ATOM 926 C PHE A 61 -7.023 4.060 -4.037 1.00 0.00 C ATOM 927 O PHE A 61 -7.217 3.129 -4.793 1.00 0.00 O ATOM 928 CB PHE A 61 -6.379 3.634 -1.646 1.00 0.00 C ATOM 929 CG PHE A 61 -7.047 2.282 -1.735 1.00 0.00 C ATOM 930 CD1 PHE A 61 -8.419 2.201 -2.011 1.00 0.00 C ATOM 931 CD2 PHE A 61 -6.300 1.111 -1.543 1.00 0.00 C ATOM 932 CE1 PHE A 61 -9.045 0.949 -2.097 1.00 0.00 C ATOM 933 CE2 PHE A 61 -6.926 -0.141 -1.629 1.00 0.00 C ATOM 934 CZ PHE A 61 -8.298 -0.221 -1.906 1.00 0.00 C ATOM 0 H PHE A 61 -5.351 5.778 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.129 3.333 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.551 3.598 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.084 4.378 -1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.994 3.103 -2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.243 1.173 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -10.102 0.887 -2.310 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.351 -1.043 -1.482 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.780 -1.185 -1.972 1.00 0.00 H new ATOM 944 N ASP A 62 -7.832 5.083 -4.003 1.00 0.00 N ATOM 945 CA ASP A 62 -9.021 5.122 -4.902 1.00 0.00 C ATOM 946 C ASP A 62 -8.577 5.064 -6.364 1.00 0.00 C ATOM 947 O ASP A 62 -9.118 4.319 -7.156 1.00 0.00 O ATOM 948 CB ASP A 62 -9.693 6.463 -4.601 1.00 0.00 C ATOM 949 CG ASP A 62 -10.939 6.619 -5.473 1.00 0.00 C ATOM 950 OD1 ASP A 62 -11.033 5.922 -6.470 1.00 0.00 O ATOM 951 OD2 ASP A 62 -11.778 7.436 -5.130 1.00 0.00 O ATOM 0 H ASP A 62 -7.722 5.893 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.693 4.280 -4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.965 6.516 -3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.998 7.281 -4.792 1.00 0.00 H new ATOM 956 N LYS A 63 -7.565 5.803 -6.716 1.00 0.00 N ATOM 957 CA LYS A 63 -7.056 5.741 -8.114 1.00 0.00 C ATOM 958 C LYS A 63 -6.594 4.317 -8.453 1.00 0.00 C ATOM 959 O LYS A 63 -6.835 3.823 -9.536 1.00 0.00 O ATOM 960 CB LYS A 63 -5.880 6.719 -8.148 1.00 0.00 C ATOM 961 CG LYS A 63 -5.304 6.778 -9.564 1.00 0.00 C ATOM 962 CD LYS A 63 -4.168 7.804 -9.608 1.00 0.00 C ATOM 963 CE LYS A 63 -3.645 7.925 -11.041 1.00 0.00 C ATOM 964 NZ LYS A 63 -2.303 7.279 -11.015 1.00 0.00 N ATOM 0 H LYS A 63 -7.069 6.446 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.821 6.001 -8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.209 7.710 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.110 6.403 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.934 5.796 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.084 7.052 -10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.524 8.772 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.362 7.499 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.309 7.427 -11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.575 8.968 -11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.879 7.322 -11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.690 7.778 -10.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.402 6.285 -10.724 1.00 0.00 H new ATOM 978 N VAL A 64 -5.831 3.702 -7.586 1.00 0.00 N ATOM 979 CA VAL A 64 -5.240 2.370 -7.925 1.00 0.00 C ATOM 980 C VAL A 64 -6.265 1.244 -7.750 1.00 0.00 C ATOM 981 O VAL A 64 -6.454 0.440 -8.641 1.00 0.00 O ATOM 982 CB VAL A 64 -4.065 2.188 -6.962 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.577 2.154 -5.520 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.355 0.869 -7.273 1.00 0.00 C ATOM 0 H VAL A 64 -5.592 4.061 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.922 2.331 -8.967 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.371 3.020 -7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.736 2.024 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.087 3.090 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.273 1.323 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.517 0.737 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.055 0.042 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.986 0.887 -8.299 1.00 0.00 H new ATOM 994 N VAL A 65 -7.015 1.234 -6.683 1.00 0.00 N ATOM 995 CA VAL A 65 -8.105 0.221 -6.586 1.00 0.00 C ATOM 996 C VAL A 65 -8.987 0.315 -7.837 1.00 0.00 C ATOM 997 O VAL A 65 -9.574 -0.655 -8.272 1.00 0.00 O ATOM 998 CB VAL A 65 -8.895 0.568 -5.317 1.00 0.00 C ATOM 999 CG1 VAL A 65 -9.814 1.759 -5.582 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -9.744 -0.636 -4.902 1.00 0.00 C ATOM 0 H VAL A 65 -6.925 1.868 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.726 -0.799 -6.529 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.195 0.822 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.371 1.998 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.216 2.621 -5.879 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.512 1.509 -6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.306 -0.392 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.437 -0.887 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.094 -1.489 -4.704 1.00 0.00 H new ATOM 1010 N PHE A 66 -9.020 1.469 -8.455 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.788 1.620 -9.726 1.00 0.00 C ATOM 1012 C PHE A 66 -8.855 1.425 -10.927 1.00 0.00 C ATOM 1013 O PHE A 66 -9.290 1.227 -12.044 1.00 0.00 O ATOM 1014 CB PHE A 66 -10.327 3.050 -9.686 1.00 0.00 C ATOM 1015 CG PHE A 66 -11.226 3.285 -10.877 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -12.591 2.980 -10.795 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -10.694 3.805 -12.066 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -13.426 3.196 -11.901 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -11.528 4.021 -13.171 1.00 0.00 C ATOM 1020 CZ PHE A 66 -12.894 3.716 -13.090 1.00 0.00 C ATOM 0 H PHE A 66 -8.547 2.313 -8.133 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.588 0.886 -9.824 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.880 3.215 -8.762 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.501 3.761 -9.695 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -13.000 2.578 -9.880 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.642 4.039 -12.130 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -14.478 2.962 -11.837 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -11.118 4.423 -14.086 1.00 0.00 H new ATOM 0 HZ PHE A 66 -13.536 3.881 -13.942 1.00 0.00 H new ATOM 1030 N SER A 67 -7.571 1.436 -10.690 1.00 0.00 N ATOM 1031 CA SER A 67 -6.593 1.204 -11.788 1.00 0.00 C ATOM 1032 C SER A 67 -6.221 -0.280 -11.855 1.00 0.00 C ATOM 1033 O SER A 67 -6.479 -0.951 -12.835 1.00 0.00 O ATOM 1034 CB SER A 67 -5.368 2.041 -11.419 1.00 0.00 C ATOM 1035 OG SER A 67 -4.526 2.174 -12.556 1.00 0.00 O ATOM 0 H SER A 67 -7.155 1.598 -9.773 1.00 0.00 H new ATOM 0 HA SER A 67 -6.996 1.481 -12.762 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.679 3.024 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.823 1.567 -10.603 1.00 0.00 H new ATOM 0 HG SER A 67 -3.741 2.712 -12.321 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.643 -0.801 -10.808 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.284 -2.249 -10.795 1.00 0.00 C ATOM 1043 C CYS A 68 -6.331 -3.048 -10.015 1.00 0.00 C ATOM 1044 O CYS A 68 -6.685 -2.689 -8.909 1.00 0.00 O ATOM 1045 CB CYS A 68 -3.929 -2.314 -10.091 1.00 0.00 C ATOM 1046 SG CYS A 68 -2.718 -1.350 -11.029 1.00 0.00 S ATOM 0 H CYS A 68 -5.403 -0.287 -9.960 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.244 -2.673 -11.798 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.014 -1.923 -9.077 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.600 -3.350 -10.007 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.694 -2.099 -11.314 1.00 0.00 H new ATOM 1052 N PRO A 69 -6.772 -4.126 -10.606 1.00 0.00 N ATOM 1053 CA PRO A 69 -7.762 -5.003 -9.936 1.00 0.00 C ATOM 1054 C PRO A 69 -7.176 -5.560 -8.636 1.00 0.00 C ATOM 1055 O PRO A 69 -5.979 -5.579 -8.443 1.00 0.00 O ATOM 1056 CB PRO A 69 -8.015 -6.127 -10.942 1.00 0.00 C ATOM 1057 CG PRO A 69 -6.901 -6.040 -11.941 1.00 0.00 C ATOM 1058 CD PRO A 69 -6.396 -4.622 -11.930 1.00 0.00 C ATOM 0 HA PRO A 69 -8.678 -4.478 -9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.023 -7.099 -10.449 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.984 -6.008 -11.426 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.101 -6.734 -11.685 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.255 -6.314 -12.935 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.317 -4.581 -12.081 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.852 -4.029 -12.723 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.011 -6.006 -7.741 1.00 0.00 N ATOM 1067 CA VAL A 70 -7.499 -6.555 -6.452 1.00 0.00 C ATOM 1068 C VAL A 70 -6.589 -7.763 -6.723 1.00 0.00 C ATOM 1069 O VAL A 70 -6.252 -8.043 -7.856 1.00 0.00 O ATOM 1070 CB VAL A 70 -8.764 -6.949 -5.680 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -9.551 -7.987 -6.480 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -8.388 -7.529 -4.315 1.00 0.00 C ATOM 0 H VAL A 70 -9.026 -6.015 -7.844 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.894 -5.846 -5.888 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.380 -6.062 -5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.450 -8.266 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.833 -7.566 -7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.933 -8.871 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.294 -7.805 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.765 -8.412 -4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.837 -6.783 -3.742 1.00 0.00 H new ATOM 1082 N LEU A 71 -6.013 -8.333 -5.696 1.00 0.00 N ATOM 1083 CA LEU A 71 -4.928 -9.336 -5.914 1.00 0.00 C ATOM 1084 C LEU A 71 -3.941 -8.819 -6.963 1.00 0.00 C ATOM 1085 O LEU A 71 -3.405 -9.570 -7.754 1.00 0.00 O ATOM 1086 CB LEU A 71 -5.628 -10.601 -6.417 1.00 0.00 C ATOM 1087 CG LEU A 71 -6.612 -11.099 -5.357 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -8.006 -10.551 -5.664 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -6.655 -12.627 -5.377 1.00 0.00 C ATOM 0 H LEU A 71 -6.246 -8.148 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.362 -9.528 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.156 -10.391 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.891 -11.374 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.290 -10.757 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.710 -10.904 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.979 -9.461 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.324 -10.896 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.356 -12.981 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.978 -12.969 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.662 -13.022 -5.163 1.00 0.00 H new ATOM 1101 N GLU A 72 -3.633 -7.553 -6.913 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.605 -6.991 -7.833 1.00 0.00 C ATOM 1103 C GLU A 72 -1.908 -5.802 -7.165 1.00 0.00 C ATOM 1104 O GLU A 72 -2.365 -4.681 -7.267 1.00 0.00 O ATOM 1105 CB GLU A 72 -3.384 -6.534 -9.068 1.00 0.00 C ATOM 1106 CG GLU A 72 -2.412 -6.267 -10.219 1.00 0.00 C ATOM 1107 CD GLU A 72 -2.716 -7.225 -11.373 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -2.354 -8.385 -11.265 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -3.305 -6.781 -12.345 1.00 0.00 O ATOM 0 H GLU A 72 -4.051 -6.880 -6.271 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.832 -7.716 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.106 -7.298 -9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.950 -5.631 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.504 -5.234 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.385 -6.402 -9.881 1.00 0.00 H new ATOM 1116 N PRO A 73 -0.850 -6.094 -6.458 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.122 -5.038 -5.713 1.00 0.00 C ATOM 1118 C PRO A 73 0.369 -3.965 -6.684 1.00 0.00 C ATOM 1119 O PRO A 73 0.988 -4.260 -7.687 1.00 0.00 O ATOM 1120 CB PRO A 73 1.056 -5.771 -5.072 1.00 0.00 C ATOM 1121 CG PRO A 73 0.727 -7.231 -5.155 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.241 -7.415 -6.295 1.00 0.00 C ATOM 0 HA PRO A 73 -0.742 -4.533 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.986 -5.550 -5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.193 -5.460 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.630 -7.818 -5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.288 -7.579 -4.220 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.269 -7.735 -7.204 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.989 -8.174 -6.065 1.00 0.00 H new ATOM 1130 N THR A 74 0.049 -2.727 -6.430 1.00 0.00 N ATOM 1131 CA THR A 74 0.446 -1.650 -7.381 1.00 0.00 C ATOM 1132 C THR A 74 1.116 -0.497 -6.633 1.00 0.00 C ATOM 1133 O THR A 74 0.682 -0.096 -5.570 1.00 0.00 O ATOM 1134 CB THR A 74 -0.863 -1.189 -8.022 1.00 0.00 C ATOM 1135 OG1 THR A 74 -1.402 -2.248 -8.800 1.00 0.00 O ATOM 1136 CG2 THR A 74 -0.598 0.023 -8.916 1.00 0.00 C ATOM 0 H THR A 74 -0.468 -2.414 -5.608 1.00 0.00 H new ATOM 0 HA THR A 74 1.164 -1.999 -8.123 1.00 0.00 H new ATOM 0 HB THR A 74 -1.573 -0.911 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.749 -1.890 -9.644 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.532 0.350 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.184 0.834 -8.317 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.111 -0.250 -9.698 1.00 0.00 H new ATOM 1144 N GLY A 75 2.187 0.020 -7.166 1.00 0.00 N ATOM 1145 CA GLY A 75 2.906 1.123 -6.473 1.00 0.00 C ATOM 1146 C GLY A 75 4.389 1.083 -6.864 1.00 0.00 C ATOM 1147 O GLY A 75 4.758 0.383 -7.786 1.00 0.00 O ATOM 0 H GLY A 75 2.596 -0.274 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.471 2.085 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.799 1.020 -5.393 1.00 0.00 H new ATOM 1151 N PRO A 76 5.190 1.884 -6.200 1.00 0.00 N ATOM 1152 CA PRO A 76 4.713 2.726 -5.081 1.00 0.00 C ATOM 1153 C PRO A 76 4.126 4.039 -5.612 1.00 0.00 C ATOM 1154 O PRO A 76 4.637 4.625 -6.546 1.00 0.00 O ATOM 1155 CB PRO A 76 5.976 2.958 -4.254 1.00 0.00 C ATOM 1156 CG PRO A 76 7.129 2.780 -5.203 1.00 0.00 C ATOM 1157 CD PRO A 76 6.621 2.079 -6.444 1.00 0.00 C ATOM 0 HA PRO A 76 3.915 2.269 -4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.979 3.957 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.037 2.250 -3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.559 3.747 -5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.920 2.195 -4.734 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.792 2.680 -7.337 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.130 1.127 -6.598 1.00 0.00 H new ATOM 1165 N LEU A 77 2.981 4.425 -5.114 1.00 0.00 N ATOM 1166 CA LEU A 77 2.268 5.604 -5.689 1.00 0.00 C ATOM 1167 C LEU A 77 2.641 6.884 -4.935 1.00 0.00 C ATOM 1168 O LEU A 77 3.480 6.875 -4.060 1.00 0.00 O ATOM 1169 CB LEU A 77 0.783 5.285 -5.510 1.00 0.00 C ATOM 1170 CG LEU A 77 0.376 4.191 -6.501 1.00 0.00 C ATOM 1171 CD1 LEU A 77 -1.065 3.759 -6.222 1.00 0.00 C ATOM 1172 CD2 LEU A 77 0.480 4.731 -7.929 1.00 0.00 C ATOM 0 H LEU A 77 2.507 3.973 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 77 2.530 5.775 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.591 4.956 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.185 6.181 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 77 1.040 3.334 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.354 2.980 -6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.139 3.373 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.730 4.615 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.190 3.952 -8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.183 5.589 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.507 5.037 -8.128 1.00 0.00 H new ATOM 1184 N HIS A 78 2.069 7.997 -5.309 1.00 0.00 N ATOM 1185 CA HIS A 78 2.447 9.282 -4.653 1.00 0.00 C ATOM 1186 C HIS A 78 1.378 9.709 -3.641 1.00 0.00 C ATOM 1187 O HIS A 78 0.222 9.879 -3.975 1.00 0.00 O ATOM 1188 CB HIS A 78 2.543 10.300 -5.787 1.00 0.00 C ATOM 1189 CG HIS A 78 2.914 11.641 -5.215 1.00 0.00 C ATOM 1190 ND1 HIS A 78 2.137 12.771 -5.413 1.00 0.00 N ATOM 1191 CD2 HIS A 78 3.973 12.044 -4.440 1.00 0.00 C ATOM 1192 CE1 HIS A 78 2.734 13.790 -4.768 1.00 0.00 C ATOM 1193 NE2 HIS A 78 3.857 13.402 -4.158 1.00 0.00 N ATOM 0 H HIS A 78 1.359 8.072 -6.038 1.00 0.00 H new ATOM 0 HA HIS A 78 3.383 9.194 -4.102 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.289 9.982 -6.515 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.591 10.366 -6.314 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.774 11.404 -4.101 1.00 0.00 H new ATOM 0 HE1 HIS A 78 2.351 14.800 -4.746 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.493 13.977 -3.605 1.00 0.00 H new ATOM 1201 N THR A 79 1.775 9.943 -2.420 1.00 0.00 N ATOM 1202 CA THR A 79 0.810 10.428 -1.392 1.00 0.00 C ATOM 1203 C THR A 79 1.478 11.491 -0.513 1.00 0.00 C ATOM 1204 O THR A 79 2.685 11.622 -0.497 1.00 0.00 O ATOM 1205 CB THR A 79 0.445 9.191 -0.566 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.576 9.530 0.362 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.677 8.689 0.189 1.00 0.00 C ATOM 0 H THR A 79 2.732 9.818 -2.088 1.00 0.00 H new ATOM 0 HA THR A 79 -0.074 10.888 -1.835 1.00 0.00 H new ATOM 0 HB THR A 79 0.089 8.404 -1.231 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.520 8.937 1.141 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.411 7.809 0.775 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.459 8.428 -0.524 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.040 9.472 0.855 1.00 0.00 H new ATOM 1215 N GLN A 80 0.707 12.267 0.196 1.00 0.00 N ATOM 1216 CA GLN A 80 1.310 13.342 1.040 1.00 0.00 C ATOM 1217 C GLN A 80 2.259 12.735 2.079 1.00 0.00 C ATOM 1218 O GLN A 80 3.296 13.290 2.383 1.00 0.00 O ATOM 1219 CB GLN A 80 0.126 14.018 1.731 1.00 0.00 C ATOM 1220 CG GLN A 80 0.639 15.146 2.630 1.00 0.00 C ATOM 1221 CD GLN A 80 -0.544 15.826 3.323 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -1.274 16.576 2.707 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -0.765 15.591 4.588 1.00 0.00 N ATOM 0 H GLN A 80 -0.311 12.206 0.229 1.00 0.00 H new ATOM 0 HA GLN A 80 1.895 14.047 0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -0.564 14.416 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.428 13.290 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.329 14.747 3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.194 15.873 2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.151 14.961 5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.551 16.037 5.060 1.00 0.00 H new ATOM 1232 N PHE A 81 1.892 11.625 2.657 1.00 0.00 N ATOM 1233 CA PHE A 81 2.751 11.016 3.712 1.00 0.00 C ATOM 1234 C PHE A 81 4.036 10.448 3.100 1.00 0.00 C ATOM 1235 O PHE A 81 4.923 10.004 3.802 1.00 0.00 O ATOM 1236 CB PHE A 81 1.899 9.899 4.316 1.00 0.00 C ATOM 1237 CG PHE A 81 0.657 10.500 4.929 1.00 0.00 C ATOM 1238 CD1 PHE A 81 0.688 10.979 6.245 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.524 10.586 4.179 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -0.462 11.543 6.813 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.675 11.151 4.746 1.00 0.00 C ATOM 1242 CZ PHE A 81 -1.644 11.629 6.063 1.00 0.00 C ATOM 0 H PHE A 81 1.035 11.113 2.445 1.00 0.00 H new ATOM 0 HA PHE A 81 3.061 11.744 4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.627 9.176 3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.468 9.359 5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.599 10.914 6.822 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.547 10.217 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.438 11.911 7.828 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.585 11.218 4.168 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.531 12.064 6.501 1.00 0.00 H new ATOM 1252 N GLY A 82 4.149 10.466 1.800 1.00 0.00 N ATOM 1253 CA GLY A 82 5.383 9.935 1.153 1.00 0.00 C ATOM 1254 C GLY A 82 4.996 9.042 -0.026 1.00 0.00 C ATOM 1255 O GLY A 82 4.106 9.358 -0.789 1.00 0.00 O ATOM 0 H GLY A 82 3.442 10.825 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.009 10.758 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.970 9.368 1.875 1.00 0.00 H new ATOM 1259 N TYR A 83 5.649 7.923 -0.177 1.00 0.00 N ATOM 1260 CA TYR A 83 5.304 7.009 -1.304 1.00 0.00 C ATOM 1261 C TYR A 83 4.340 5.921 -0.827 1.00 0.00 C ATOM 1262 O TYR A 83 4.562 5.275 0.178 1.00 0.00 O ATOM 1263 CB TYR A 83 6.636 6.405 -1.747 1.00 0.00 C ATOM 1264 CG TYR A 83 7.433 7.454 -2.485 1.00 0.00 C ATOM 1265 CD1 TYR A 83 7.294 7.591 -3.874 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.306 8.296 -1.782 1.00 0.00 C ATOM 1267 CE1 TYR A 83 8.028 8.569 -4.559 1.00 0.00 C ATOM 1268 CE2 TYR A 83 9.041 9.274 -2.467 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.902 9.410 -3.856 1.00 0.00 C ATOM 1270 OH TYR A 83 9.625 10.373 -4.531 1.00 0.00 O ATOM 0 H TYR A 83 6.404 7.602 0.429 1.00 0.00 H new ATOM 0 HA TYR A 83 4.806 7.529 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.194 6.049 -0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.462 5.543 -2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.621 6.943 -4.416 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.412 8.191 -0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.920 8.675 -5.628 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.714 9.922 -1.925 1.00 0.00 H new ATOM 0 HH TYR A 83 10.181 10.870 -3.895 1.00 0.00 H new ATOM 1280 N HIS A 84 3.273 5.720 -1.548 1.00 0.00 N ATOM 1281 CA HIS A 84 2.276 4.677 -1.152 1.00 0.00 C ATOM 1282 C HIS A 84 2.345 3.478 -2.099 1.00 0.00 C ATOM 1283 O HIS A 84 1.799 3.514 -3.184 1.00 0.00 O ATOM 1284 CB HIS A 84 0.894 5.344 -1.267 1.00 0.00 C ATOM 1285 CG HIS A 84 0.512 5.949 0.054 1.00 0.00 C ATOM 1286 ND1 HIS A 84 1.097 5.893 1.293 1.00 0.00 N flip ATOM 1287 CD2 HIS A 84 -0.622 6.732 0.204 1.00 0.00 C flip ATOM 1288 CE1 HIS A 84 0.341 6.628 2.202 1.00 0.00 C flip ATOM 1289 NE2 HIS A 84 -0.684 7.112 1.493 1.00 0.00 N flip ATOM 0 H HIS A 84 3.044 6.234 -2.399 1.00 0.00 H new ATOM 0 HA HIS A 84 2.472 4.312 -0.144 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.914 6.114 -2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.149 4.609 -1.570 1.00 0.00 H new ATOM 0 HD1 HIS A 84 1.956 5.389 1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.327 6.990 -0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.540 6.775 3.253 1.00 0.00 H new ATOM 1297 N ILE A 85 2.781 2.347 -1.613 1.00 0.00 N ATOM 1298 CA ILE A 85 2.591 1.103 -2.416 1.00 0.00 C ATOM 1299 C ILE A 85 1.458 0.278 -1.800 1.00 0.00 C ATOM 1300 O ILE A 85 1.439 0.038 -0.608 1.00 0.00 O ATOM 1301 CB ILE A 85 3.929 0.356 -2.355 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.998 -0.663 -3.493 1.00 0.00 C ATOM 1303 CG2 ILE A 85 4.058 -0.379 -1.026 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.416 -0.692 -4.061 1.00 0.00 C ATOM 0 H ILE A 85 3.250 2.230 -0.715 1.00 0.00 H new ATOM 0 HA ILE A 85 2.317 1.306 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 85 4.740 1.078 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.720 -1.652 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.286 -0.400 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.011 -0.906 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.012 0.339 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.243 -1.096 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.468 -1.418 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.676 0.296 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.117 -0.975 -3.276 1.00 0.00 H new ATOM 1316 N ILE A 86 0.423 0.023 -2.552 1.00 0.00 N ATOM 1317 CA ILE A 86 -0.798 -0.569 -1.936 1.00 0.00 C ATOM 1318 C ILE A 86 -0.997 -2.019 -2.380 1.00 0.00 C ATOM 1319 O ILE A 86 -1.095 -2.317 -3.555 1.00 0.00 O ATOM 1320 CB ILE A 86 -1.951 0.308 -2.423 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.726 1.748 -1.959 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.268 -0.215 -1.847 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.765 2.663 -2.609 1.00 0.00 C ATOM 0 H ILE A 86 0.369 0.197 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.729 -0.594 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.995 0.280 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.802 1.807 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.721 2.074 -2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.091 0.410 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.428 -1.241 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.225 -0.187 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.604 3.689 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.667 2.612 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.765 2.341 -2.320 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.208 -2.892 -1.434 1.00 0.00 N ATOM 1336 CA LYS A 87 -1.580 -4.296 -1.761 1.00 0.00 C ATOM 1337 C LYS A 87 -3.089 -4.471 -1.559 1.00 0.00 C ATOM 1338 O LYS A 87 -3.625 -4.112 -0.528 1.00 0.00 O ATOM 1339 CB LYS A 87 -0.801 -5.144 -0.752 1.00 0.00 C ATOM 1340 CG LYS A 87 -0.908 -6.624 -1.123 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.127 -7.456 -0.102 1.00 0.00 C ATOM 1342 CE LYS A 87 -0.019 -8.902 -0.591 1.00 0.00 C ATOM 1343 NZ LYS A 87 -1.419 -9.412 -0.596 1.00 0.00 N ATOM 0 H LYS A 87 -1.137 -2.689 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.350 -4.576 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.245 -4.838 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.194 -4.982 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.953 -6.933 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.512 -6.790 -2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.868 -7.035 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.627 -7.425 0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.422 -8.950 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.615 -9.495 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.410 -10.452 -0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.914 -9.075 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.912 -9.066 -1.444 1.00 0.00 H new ATOM 1357 N VAL A 88 -3.788 -4.952 -2.551 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.272 -5.061 -2.424 1.00 0.00 C ATOM 1359 C VAL A 88 -5.677 -6.513 -2.161 1.00 0.00 C ATOM 1360 O VAL A 88 -5.170 -7.433 -2.773 1.00 0.00 O ATOM 1361 CB VAL A 88 -5.842 -4.581 -3.763 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.367 -4.498 -3.654 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.287 -3.193 -4.103 1.00 0.00 C ATOM 0 H VAL A 88 -3.400 -5.272 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.649 -4.466 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.558 -5.282 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.782 -4.157 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.769 -5.483 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.638 -3.795 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.698 -2.860 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.568 -2.487 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.200 -3.243 -4.174 1.00 0.00 H new ATOM 1373 N LEU A 89 -6.585 -6.722 -1.249 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.031 -8.099 -0.930 1.00 0.00 C ATOM 1375 C LEU A 89 -8.569 -8.152 -0.940 1.00 0.00 C ATOM 1376 O LEU A 89 -9.214 -7.459 -0.178 1.00 0.00 O ATOM 1377 CB LEU A 89 -6.509 -8.361 0.479 1.00 0.00 C ATOM 1378 CG LEU A 89 -4.983 -8.241 0.495 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -4.489 -8.208 1.942 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -4.370 -9.447 -0.222 1.00 0.00 C ATOM 0 H LEU A 89 -7.040 -5.987 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.668 -8.836 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.947 -7.648 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.809 -9.356 0.809 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.686 -7.323 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.402 -8.123 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.926 -7.352 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.786 -9.126 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.283 -9.363 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.668 -10.363 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.722 -9.475 -1.253 1.00 0.00 H new ATOM 1392 N TYR A 90 -9.148 -8.964 -1.786 1.00 0.00 N ATOM 1393 CA TYR A 90 -10.641 -9.096 -1.852 1.00 0.00 C ATOM 1394 C TYR A 90 -11.271 -7.853 -2.490 1.00 0.00 C ATOM 1395 O TYR A 90 -11.947 -7.939 -3.496 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.129 -9.278 -0.409 1.00 0.00 C ATOM 1397 CG TYR A 90 -10.328 -10.370 0.263 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -10.685 -11.713 0.076 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -9.232 -10.043 1.074 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -9.947 -12.729 0.699 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -8.493 -11.059 1.697 1.00 0.00 C ATOM 1402 CZ TYR A 90 -8.850 -12.402 1.510 1.00 0.00 C ATOM 1403 OH TYR A 90 -8.124 -13.402 2.124 1.00 0.00 O ATOM 0 H TYR A 90 -8.643 -9.553 -2.447 1.00 0.00 H new ATOM 0 HA TYR A 90 -10.931 -9.945 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.023 -8.344 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.189 -9.534 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.529 -11.965 -0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.957 -9.009 1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.223 -13.763 0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.648 -10.807 2.321 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.398 -13.004 2.648 1.00 0.00 H new ATOM 1413 N ARG A 91 -11.055 -6.702 -1.917 1.00 0.00 N ATOM 1414 CA ARG A 91 -11.645 -5.459 -2.498 1.00 0.00 C ATOM 1415 C ARG A 91 -13.169 -5.582 -2.601 1.00 0.00 C ATOM 1416 O ARG A 91 -13.772 -5.147 -3.562 1.00 0.00 O ATOM 1417 CB ARG A 91 -11.027 -5.339 -3.888 1.00 0.00 C ATOM 1418 CG ARG A 91 -11.356 -3.964 -4.476 1.00 0.00 C ATOM 1419 CD ARG A 91 -10.593 -3.773 -5.789 1.00 0.00 C ATOM 1420 NE ARG A 91 -11.177 -4.781 -6.719 1.00 0.00 N ATOM 1421 CZ ARG A 91 -12.333 -4.560 -7.287 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -12.988 -3.455 -7.043 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -12.838 -5.447 -8.101 1.00 0.00 N ATOM 0 H ARG A 91 -10.497 -6.566 -1.074 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.441 -4.584 -1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.947 -5.473 -3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.411 -6.126 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.429 -3.879 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.085 -3.180 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.716 -2.761 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.524 -3.934 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.673 -5.646 -6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.597 -2.760 -6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.890 -3.288 -7.489 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.330 -6.311 -8.293 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.740 -5.276 -8.545 1.00 0.00 H new ATOM 1437 N ASN A 92 -13.797 -6.160 -1.615 1.00 0.00 N ATOM 1438 CA ASN A 92 -15.283 -6.294 -1.653 1.00 0.00 C ATOM 1439 C ASN A 92 -15.825 -6.572 -0.248 1.00 0.00 C ATOM 1440 O ASN A 92 -15.272 -7.430 0.420 1.00 0.00 O ATOM 1441 CB ASN A 92 -15.552 -7.483 -2.576 1.00 0.00 C ATOM 1442 CG ASN A 92 -17.062 -7.696 -2.706 1.00 0.00 C ATOM 1443 OD1 ASN A 92 -17.599 -8.653 -2.187 1.00 0.00 O ATOM 1444 ND2 ASN A 92 -17.775 -6.838 -3.385 1.00 0.00 N ATOM 1445 OXT ASN A 92 -16.784 -5.922 0.135 1.00 0.00 O ATOM 0 H ASN A 92 -13.347 -6.546 -0.785 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.770 -5.385 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.114 -7.302 -3.557 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.080 -8.381 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -18.782 -6.972 -3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.325 -6.033 -3.822 1.00 0.00 H new TER 1452 ASN A 92