USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1087 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 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -98:sc= 0.00328 (180deg=-0.0176) USER MOD Set 1.3: A 65 SER OG : rot 74:sc= 0.194 USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 TYR OH : rot 118:sc= 0.988 USER MOD Set 3.1: A 11 LYS NZ :NH3+ 154:sc= -0.534 (180deg=-0.39) USER MOD Set 3.2: B 108 GLN : amide:sc= -1.8! C(o=-13!,f=-18!) USER MOD Set 3.3: B 118 GLN : amide:sc= -10.3! C(o=-13!,f=-12!) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.0142) USER MOD Single : A 1 MET N :NH3+ -99:sc= 0.0375 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 83:sc= 1.32 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -22:sc= 0.423 USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0224) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -114:sc= -0.158 (180deg=-3.94!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0942 K(o=-0.094,f=-5.3!) USER MOD Single : A 41 GLN : amide:sc= -7.74! C(o=-7.7!,f=-11!) USER MOD Single : A 46 SER OG : rot 78:sc= 0.388 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.555 X(o=-0.55,f=-0.18) USER MOD Single : A 50 MET CE :methyl -159:sc= -0.233 (180deg=-0.771) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -39:sc= 0.922 USER MOD Single : A 68 HIS : no HD1:sc= -0.921 K(o=-0.92,f=-0.24) USER MOD Single : B 81 LYS NZ :NH3+ -174:sc= 1.79 (180deg=1.62) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 THR OG1 : rot -119:sc= -4.99! USER MOD Single : B 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 99 GLN : amide:sc= -0.431 K(o=-0.43,f=-1.2) USER MOD Single : B 101 HIS : no HD1:sc= -3.96! C(o=-4!,f=-3.3!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 113 CYS SG : rot 180:sc= -3.81! USER MOD Single : B 117 ASN : amide:sc= -8.4! C(o=-8.4!,f=-12!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 125 SER OG : rot 90:sc= 1.36 USER MOD Single : B 127 ASN : amide:sc= 1.06 K(o=1.1,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.693 4.818 14.414 1.00 0.00 N ATOM 2 CA MET A 1 -10.980 3.468 13.862 1.00 0.00 C ATOM 3 C MET A 1 -9.880 3.024 12.904 1.00 0.00 C ATOM 4 O MET A 1 -9.264 3.854 12.228 1.00 0.00 O ATOM 5 CB MET A 1 -12.330 3.464 13.137 1.00 0.00 C ATOM 6 CG MET A 1 -13.529 3.470 14.073 1.00 0.00 C ATOM 7 SD MET A 1 -15.099 3.567 13.192 1.00 0.00 S ATOM 8 CE MET A 1 -16.255 3.577 14.560 1.00 0.00 C ATOM 0 H1 MET A 1 -10.276 4.724 15.362 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.025 5.314 13.790 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.577 5.362 14.477 1.00 0.00 H new ATOM 0 HA MET A 1 -11.018 2.767 14.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.385 4.336 12.486 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.385 2.584 12.496 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.514 2.566 14.682 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.447 4.316 14.756 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.271 3.670 14.177 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.162 2.647 15.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.036 4.420 15.215 1.00 0.00 H new ATOM 20 N LEU A 2 -9.644 1.710 12.858 1.00 0.00 N ATOM 21 CA LEU A 2 -8.620 1.127 11.988 1.00 0.00 C ATOM 22 C LEU A 2 -9.213 0.023 11.112 1.00 0.00 C ATOM 23 O LEU A 2 -10.156 -0.661 11.516 1.00 0.00 O ATOM 24 CB LEU A 2 -7.434 0.585 12.815 1.00 0.00 C ATOM 25 CG LEU A 2 -7.776 -0.388 13.960 1.00 0.00 C ATOM 26 CD1 LEU A 2 -6.650 -1.390 14.158 1.00 0.00 C ATOM 27 CD2 LEU A 2 -8.037 0.373 15.255 1.00 0.00 C ATOM 0 H LEU A 2 -10.153 1.026 13.418 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.247 1.917 11.336 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.747 0.082 12.135 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.898 1.434 13.239 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.683 -0.928 13.689 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.907 -2.070 14.970 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.504 -1.960 13.240 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.730 -0.860 14.406 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.277 -0.333 16.050 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.148 0.940 15.529 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.874 1.057 15.113 1.00 0.00 H new ATOM 39 N ILE A 3 -8.650 -0.134 9.911 1.00 0.00 N ATOM 40 CA ILE A 3 -9.107 -1.153 8.955 1.00 0.00 C ATOM 41 C ILE A 3 -7.933 -1.729 8.160 1.00 0.00 C ATOM 42 O ILE A 3 -6.909 -1.060 7.982 1.00 0.00 O ATOM 43 CB ILE A 3 -10.196 -0.614 7.981 1.00 0.00 C ATOM 44 CG1 ILE A 3 -9.868 0.807 7.475 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.557 -0.635 8.671 1.00 0.00 C ATOM 46 CD1 ILE A 3 -10.293 1.064 6.043 1.00 0.00 C ATOM 0 H ILE A 3 -7.873 0.434 9.574 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.561 -1.947 9.548 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.219 -1.267 7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.355 1.534 8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.794 0.973 7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.317 -0.257 7.987 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.803 -1.657 8.959 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.524 -0.006 9.560 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.028 2.083 5.762 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.786 0.362 5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.371 0.932 5.954 1.00 0.00 H new ATOM 58 N LYS A 4 -8.095 -2.969 7.688 1.00 0.00 N ATOM 59 CA LYS A 4 -7.047 -3.653 6.923 1.00 0.00 C ATOM 60 C LYS A 4 -7.532 -4.025 5.525 1.00 0.00 C ATOM 61 O LYS A 4 -8.625 -4.577 5.367 1.00 0.00 O ATOM 62 CB LYS A 4 -6.587 -4.919 7.655 1.00 0.00 C ATOM 63 CG LYS A 4 -5.841 -4.649 8.961 1.00 0.00 C ATOM 64 CD LYS A 4 -5.532 -5.939 9.718 1.00 0.00 C ATOM 65 CE LYS A 4 -6.647 -6.310 10.691 1.00 0.00 C ATOM 66 NZ LYS A 4 -6.345 -7.569 11.426 1.00 0.00 N1+ ATOM 0 H LYS A 4 -8.943 -3.520 7.822 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.209 -2.963 6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.458 -5.539 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.941 -5.494 6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.911 -4.123 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.440 -3.992 9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.386 -6.751 9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.596 -5.823 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.791 -5.499 11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.583 -6.424 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.126 -7.787 12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.232 -8.349 10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.465 -7.452 11.968 1.00 0.00 H new ATOM 80 N VAL A 5 -6.706 -3.717 4.520 1.00 0.00 N ATOM 81 CA VAL A 5 -7.027 -4.024 3.120 1.00 0.00 C ATOM 82 C VAL A 5 -6.178 -5.204 2.635 1.00 0.00 C ATOM 83 O VAL A 5 -5.034 -5.371 3.068 1.00 0.00 O ATOM 84 CB VAL A 5 -6.800 -2.799 2.178 1.00 0.00 C ATOM 85 CG1 VAL A 5 -7.451 -3.018 0.813 1.00 0.00 C ATOM 86 CG2 VAL A 5 -7.327 -1.511 2.802 1.00 0.00 C ATOM 0 H VAL A 5 -5.807 -3.254 4.650 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.085 -4.282 3.081 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.723 -2.701 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.274 -2.147 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.020 -3.901 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.524 -3.162 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.153 -0.679 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.396 -1.609 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.809 -1.324 3.743 1.00 0.00 H new ATOM 96 N LYS A 6 -6.752 -6.012 1.737 1.00 0.00 N ATOM 97 CA LYS A 6 -6.061 -7.176 1.182 1.00 0.00 C ATOM 98 C LYS A 6 -5.644 -6.932 -0.267 1.00 0.00 C ATOM 99 O LYS A 6 -6.481 -6.622 -1.122 1.00 0.00 O ATOM 100 CB LYS A 6 -6.947 -8.422 1.270 1.00 0.00 C ATOM 101 CG LYS A 6 -6.908 -9.102 2.629 1.00 0.00 C ATOM 102 CD LYS A 6 -7.696 -10.402 2.623 1.00 0.00 C ATOM 103 CE LYS A 6 -7.438 -11.217 3.879 1.00 0.00 C ATOM 104 NZ LYS A 6 -8.240 -12.472 3.903 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.698 -5.878 1.379 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.161 -7.340 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.976 -8.143 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.634 -9.135 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.873 -9.303 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.316 -8.431 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.761 -10.183 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.425 -10.989 1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.378 -11.463 3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.678 -10.617 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.035 -12.999 4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.253 -12.238 3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.993 -13.057 3.080 1.00 0.00 H new ATOM 118 N THR A 7 -4.338 -7.071 -0.522 1.00 0.00 N ATOM 119 CA THR A 7 -3.770 -6.879 -1.857 1.00 0.00 C ATOM 120 C THR A 7 -3.612 -8.219 -2.582 1.00 0.00 C ATOM 121 O THR A 7 -3.535 -9.276 -1.945 1.00 0.00 O ATOM 122 CB THR A 7 -2.395 -6.170 -1.791 1.00 0.00 C ATOM 123 OG1 THR A 7 -2.256 -5.453 -0.558 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.234 -5.196 -2.947 1.00 0.00 C ATOM 0 H THR A 7 -3.650 -7.319 0.189 1.00 0.00 H new ATOM 0 HA THR A 7 -4.464 -6.248 -2.411 1.00 0.00 H new ATOM 0 HB THR A 7 -1.625 -6.938 -1.855 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.966 -6.068 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.261 -4.710 -2.880 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.305 -5.737 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.020 -4.442 -2.900 1.00 0.00 H new ATOM 132 N LEU A 8 -3.535 -8.157 -3.922 1.00 0.00 N ATOM 133 CA LEU A 8 -3.393 -9.354 -4.771 1.00 0.00 C ATOM 134 C LEU A 8 -2.001 -10.004 -4.644 1.00 0.00 C ATOM 135 O LEU A 8 -1.780 -11.106 -5.159 1.00 0.00 O ATOM 136 CB LEU A 8 -3.673 -8.984 -6.237 1.00 0.00 C ATOM 137 CG LEU A 8 -4.111 -10.142 -7.148 1.00 0.00 C ATOM 138 CD1 LEU A 8 -5.617 -10.363 -7.064 1.00 0.00 C ATOM 139 CD2 LEU A 8 -3.693 -9.874 -8.587 1.00 0.00 C ATOM 0 H LEU A 8 -3.569 -7.282 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.121 -10.089 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.448 -8.218 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.772 -8.537 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.615 -11.050 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.901 -11.188 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.893 -10.603 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.136 -9.457 -7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.011 -10.704 -9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.160 -8.953 -8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.609 -9.774 -8.638 1.00 0.00 H new ATOM 151 N THR A 9 -1.077 -9.318 -3.956 1.00 0.00 N ATOM 152 CA THR A 9 0.286 -9.825 -3.749 1.00 0.00 C ATOM 153 C THR A 9 0.370 -10.693 -2.482 1.00 0.00 C ATOM 154 O THR A 9 1.355 -11.411 -2.285 1.00 0.00 O ATOM 155 CB THR A 9 1.315 -8.667 -3.645 1.00 0.00 C ATOM 156 OG1 THR A 9 0.885 -7.546 -4.428 1.00 0.00 O ATOM 157 CG2 THR A 9 2.697 -9.107 -4.127 1.00 0.00 C ATOM 0 H THR A 9 -1.251 -8.407 -3.532 1.00 0.00 H new ATOM 0 HA THR A 9 0.530 -10.436 -4.618 1.00 0.00 H new ATOM 0 HB THR A 9 1.381 -8.382 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.542 -6.823 -4.352 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.394 -8.274 -4.041 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.048 -9.938 -3.516 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.636 -9.423 -5.168 1.00 0.00 H new ATOM 165 N GLY A 10 -0.671 -10.618 -1.636 1.00 0.00 N ATOM 166 CA GLY A 10 -0.706 -11.396 -0.401 1.00 0.00 C ATOM 167 C GLY A 10 -0.206 -10.613 0.801 1.00 0.00 C ATOM 168 O GLY A 10 0.508 -11.158 1.648 1.00 0.00 O ATOM 0 H GLY A 10 -1.490 -10.030 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.728 -11.727 -0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.098 -12.292 -0.524 1.00 0.00 H new ATOM 172 N LYS A 11 -0.588 -9.332 0.866 1.00 0.00 N ATOM 173 CA LYS A 11 -0.187 -8.441 1.957 1.00 0.00 C ATOM 174 C LYS A 11 -1.358 -7.586 2.415 1.00 0.00 C ATOM 175 O LYS A 11 -2.047 -6.974 1.593 1.00 0.00 O ATOM 176 CB LYS A 11 0.961 -7.537 1.507 1.00 0.00 C ATOM 177 CG LYS A 11 2.294 -7.895 2.138 1.00 0.00 C ATOM 178 CD LYS A 11 3.459 -7.397 1.300 1.00 0.00 C ATOM 179 CE LYS A 11 4.789 -7.860 1.865 1.00 0.00 C ATOM 180 NZ LYS A 11 5.940 -7.282 1.118 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.181 -8.887 0.166 1.00 0.00 H new ATOM 0 HA LYS A 11 0.145 -9.058 2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.054 -7.593 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.717 -6.503 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.352 -7.463 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.364 -8.977 2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.352 -7.757 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.439 -6.308 1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.857 -7.574 2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.841 -8.948 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.771 -7.237 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.156 -7.881 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.698 -6.324 0.795 1.00 0.00 H new ATOM 194 N GLU A 12 -1.585 -7.557 3.731 1.00 0.00 N ATOM 195 CA GLU A 12 -2.663 -6.750 4.314 1.00 0.00 C ATOM 196 C GLU A 12 -2.127 -5.373 4.722 1.00 0.00 C ATOM 197 O GLU A 12 -1.248 -5.278 5.582 1.00 0.00 O ATOM 198 CB GLU A 12 -3.337 -7.472 5.508 1.00 0.00 C ATOM 199 CG GLU A 12 -2.386 -7.995 6.588 1.00 0.00 C ATOM 200 CD GLU A 12 -3.120 -8.680 7.726 1.00 0.00 C ATOM 201 OE1 GLU A 12 -3.345 -9.905 7.633 1.00 0.00 O1- ATOM 202 OE2 GLU A 12 -3.469 -7.992 8.708 1.00 0.00 O ATOM 0 H GLU A 12 -1.038 -8.082 4.413 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.433 -6.610 3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.043 -6.784 5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.916 -8.311 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.682 -8.696 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.800 -7.166 6.985 1.00 0.00 H new ATOM 209 N ILE A 13 -2.694 -4.315 4.121 1.00 0.00 N ATOM 210 CA ILE A 13 -2.278 -2.926 4.384 1.00 0.00 C ATOM 211 C ILE A 13 -3.058 -2.390 5.601 1.00 0.00 C ATOM 212 O ILE A 13 -4.233 -2.730 5.784 1.00 0.00 O ATOM 213 CB ILE A 13 -2.593 -2.018 3.153 1.00 0.00 C ATOM 214 CG1 ILE A 13 -1.850 -2.531 1.907 1.00 0.00 C ATOM 215 CG2 ILE A 13 -2.243 -0.547 3.427 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.621 -2.340 0.613 1.00 0.00 C ATOM 0 H ILE A 13 -3.451 -4.396 3.442 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.205 -2.911 4.576 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.666 -2.068 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.893 -2.016 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.632 -3.591 2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.476 0.053 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.824 -0.187 4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.180 -0.462 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.034 -2.725 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.567 -2.878 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.816 -1.279 0.459 1.00 0.00 H new ATOM 228 N GLU A 14 -2.402 -1.560 6.415 1.00 0.00 N ATOM 229 CA GLU A 14 -3.033 -0.987 7.607 1.00 0.00 C ATOM 230 C GLU A 14 -3.325 0.504 7.421 1.00 0.00 C ATOM 231 O GLU A 14 -2.405 1.305 7.227 1.00 0.00 O ATOM 232 CB GLU A 14 -2.143 -1.205 8.836 1.00 0.00 C ATOM 233 CG GLU A 14 -2.181 -2.626 9.378 1.00 0.00 C ATOM 234 CD GLU A 14 -1.277 -2.817 10.578 1.00 0.00 C ATOM 235 OE1 GLU A 14 -0.091 -3.157 10.381 1.00 0.00 O1- ATOM 236 OE2 GLU A 14 -1.752 -2.626 11.717 1.00 0.00 O ATOM 0 H GLU A 14 -1.435 -1.270 6.271 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.983 -1.498 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.115 -0.952 8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.452 -0.517 9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.205 -2.878 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.885 -3.319 8.591 1.00 0.00 H new ATOM 243 N ILE A 15 -4.615 0.860 7.475 1.00 0.00 N ATOM 244 CA ILE A 15 -5.049 2.257 7.327 1.00 0.00 C ATOM 245 C ILE A 15 -6.052 2.652 8.398 1.00 0.00 C ATOM 246 O ILE A 15 -6.687 1.793 9.019 1.00 0.00 O ATOM 247 CB ILE A 15 -5.675 2.587 5.944 1.00 0.00 C ATOM 248 CG1 ILE A 15 -6.254 1.347 5.235 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.645 3.285 5.083 1.00 0.00 C ATOM 250 CD1 ILE A 15 -7.368 1.670 4.251 1.00 0.00 C ATOM 0 H ILE A 15 -5.378 0.199 7.620 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.128 2.830 7.429 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.522 3.252 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.451 0.834 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.634 0.654 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.081 3.518 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.329 4.208 5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.782 2.633 4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.726 0.749 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.190 2.155 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.988 2.338 3.478 1.00 0.00 H new ATOM 262 N ASP A 16 -6.187 3.968 8.604 1.00 0.00 N ATOM 263 CA ASP A 16 -7.119 4.503 9.586 1.00 0.00 C ATOM 264 C ASP A 16 -7.987 5.605 8.979 1.00 0.00 C ATOM 265 O ASP A 16 -7.480 6.651 8.560 1.00 0.00 O ATOM 266 CB ASP A 16 -6.372 5.028 10.819 1.00 0.00 C ATOM 267 CG ASP A 16 -5.759 3.917 11.651 1.00 0.00 C ATOM 268 OD1 ASP A 16 -4.631 3.487 11.329 1.00 0.00 O ATOM 269 OD2 ASP A 16 -6.406 3.477 12.625 1.00 0.00 O1- ATOM 0 H ASP A 16 -5.658 4.678 8.098 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.773 3.689 9.900 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.586 5.712 10.498 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.061 5.602 11.439 1.00 0.00 H new ATOM 274 N ILE A 17 -9.300 5.347 8.930 1.00 0.00 N ATOM 275 CA ILE A 17 -10.276 6.301 8.381 1.00 0.00 C ATOM 276 C ILE A 17 -11.607 6.227 9.141 1.00 0.00 C ATOM 277 O ILE A 17 -11.866 5.254 9.858 1.00 0.00 O ATOM 278 CB ILE A 17 -10.525 6.094 6.850 1.00 0.00 C ATOM 279 CG1 ILE A 17 -10.740 4.610 6.482 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.370 6.671 6.045 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.194 4.185 6.485 1.00 0.00 C ATOM 0 H ILE A 17 -9.715 4.478 9.267 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.842 7.292 8.512 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.444 6.625 6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.319 4.426 5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.187 3.987 7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.556 6.520 4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.281 7.738 6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.444 6.169 6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.265 3.131 6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.615 4.336 7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.749 4.782 5.761 1.00 0.00 H new ATOM 293 N GLU A 18 -12.441 7.260 8.975 1.00 0.00 N ATOM 294 CA GLU A 18 -13.747 7.329 9.638 1.00 0.00 C ATOM 295 C GLU A 18 -14.861 6.769 8.731 1.00 0.00 C ATOM 296 O GLU A 18 -14.695 6.746 7.510 1.00 0.00 O ATOM 297 CB GLU A 18 -14.071 8.775 10.025 1.00 0.00 C ATOM 298 CG GLU A 18 -13.298 9.275 11.237 1.00 0.00 C ATOM 299 CD GLU A 18 -13.640 10.707 11.597 1.00 0.00 C ATOM 300 OE1 GLU A 18 -14.585 10.911 12.387 1.00 0.00 O1- ATOM 301 OE2 GLU A 18 -12.964 11.625 11.087 1.00 0.00 O ATOM 0 H GLU A 18 -12.232 8.064 8.383 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.697 6.718 10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.858 9.425 9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.139 8.856 10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.509 8.630 12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.229 9.200 11.038 1.00 0.00 H new ATOM 308 N PRO A 19 -16.027 6.314 9.294 1.00 0.00 N ATOM 309 CA PRO A 19 -17.135 5.764 8.481 1.00 0.00 C ATOM 310 C PRO A 19 -17.891 6.832 7.676 1.00 0.00 C ATOM 311 O PRO A 19 -18.731 6.495 6.834 1.00 0.00 O ATOM 312 CB PRO A 19 -18.081 5.131 9.518 1.00 0.00 C ATOM 313 CG PRO A 19 -17.331 5.130 10.809 1.00 0.00 C ATOM 314 CD PRO A 19 -16.372 6.279 10.733 1.00 0.00 C ATOM 0 HA PRO A 19 -16.754 5.065 7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.005 5.702 9.604 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.358 4.118 9.227 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.010 5.244 11.654 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.801 4.188 10.951 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.829 7.212 11.063 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.493 6.116 11.357 1.00 0.00 H new ATOM 322 N THR A 20 -17.571 8.111 7.930 1.00 0.00 N ATOM 323 CA THR A 20 -18.231 9.234 7.251 1.00 0.00 C ATOM 324 C THR A 20 -17.498 9.678 5.967 1.00 0.00 C ATOM 325 O THR A 20 -18.055 10.459 5.188 1.00 0.00 O ATOM 326 CB THR A 20 -18.436 10.451 8.208 1.00 0.00 C ATOM 327 OG1 THR A 20 -19.104 11.519 7.523 1.00 0.00 O ATOM 328 CG2 THR A 20 -17.122 10.974 8.799 1.00 0.00 C ATOM 0 H THR A 20 -16.857 8.392 8.602 1.00 0.00 H new ATOM 0 HA THR A 20 -19.210 8.861 6.951 1.00 0.00 H new ATOM 0 HB THR A 20 -19.049 10.091 9.035 1.00 0.00 H new ATOM 0 HG1 THR A 20 -18.983 11.414 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 20 -17.329 11.819 9.455 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.639 10.181 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.462 11.294 7.993 1.00 0.00 H new ATOM 336 N ASP A 21 -16.263 9.188 5.746 1.00 0.00 N ATOM 337 CA ASP A 21 -15.497 9.557 4.543 1.00 0.00 C ATOM 338 C ASP A 21 -15.947 8.737 3.327 1.00 0.00 C ATOM 339 O ASP A 21 -16.465 7.626 3.477 1.00 0.00 O ATOM 340 CB ASP A 21 -13.971 9.425 4.768 1.00 0.00 C ATOM 341 CG ASP A 21 -13.509 8.042 5.210 1.00 0.00 C ATOM 342 OD1 ASP A 21 -13.831 7.052 4.519 1.00 0.00 O1- ATOM 343 OD2 ASP A 21 -12.818 7.955 6.245 1.00 0.00 O ATOM 0 H ASP A 21 -15.781 8.545 6.375 1.00 0.00 H new ATOM 0 HA ASP A 21 -15.705 10.607 4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.457 9.686 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.664 10.153 5.519 1.00 0.00 H new ATOM 348 N LYS A 22 -15.740 9.300 2.131 1.00 0.00 N ATOM 349 CA LYS A 22 -16.131 8.648 0.874 1.00 0.00 C ATOM 350 C LYS A 22 -15.102 7.610 0.428 1.00 0.00 C ATOM 351 O LYS A 22 -13.912 7.726 0.741 1.00 0.00 O ATOM 352 CB LYS A 22 -16.329 9.684 -0.241 1.00 0.00 C ATOM 353 CG LYS A 22 -17.541 10.589 -0.049 1.00 0.00 C ATOM 354 CD LYS A 22 -18.149 10.997 -1.382 1.00 0.00 C ATOM 355 CE LYS A 22 -19.252 12.033 -1.207 1.00 0.00 C ATOM 356 NZ LYS A 22 -18.712 13.378 -0.854 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.301 10.212 2.006 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.075 8.136 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.435 10.304 -0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.427 9.162 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.290 10.073 0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.247 11.480 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.370 11.401 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.553 10.117 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.829 12.106 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.938 11.703 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.484 14.075 -0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.286 13.343 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.989 13.655 -1.548 1.00 0.00 H new ATOM 370 N VAL A 23 -15.587 6.593 -0.306 1.00 0.00 N ATOM 371 CA VAL A 23 -14.743 5.502 -0.842 1.00 0.00 C ATOM 372 C VAL A 23 -13.548 6.057 -1.640 1.00 0.00 C ATOM 373 O VAL A 23 -12.422 5.585 -1.474 1.00 0.00 O ATOM 374 CB VAL A 23 -15.551 4.519 -1.751 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.742 3.265 -2.080 1.00 0.00 C ATOM 376 CG2 VAL A 23 -16.875 4.119 -1.108 1.00 0.00 C ATOM 0 H VAL A 23 -16.574 6.501 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.377 4.951 0.024 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.760 5.053 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.335 2.605 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.830 3.548 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.483 2.746 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.409 3.436 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.682 3.626 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.482 5.009 -0.940 1.00 0.00 H new ATOM 386 N GLU A 24 -13.809 7.074 -2.480 1.00 0.00 N ATOM 387 CA GLU A 24 -12.767 7.713 -3.314 1.00 0.00 C ATOM 388 C GLU A 24 -11.611 8.275 -2.467 1.00 0.00 C ATOM 389 O GLU A 24 -10.458 8.293 -2.912 1.00 0.00 O ATOM 390 CB GLU A 24 -13.373 8.819 -4.208 1.00 0.00 C ATOM 391 CG GLU A 24 -14.227 9.858 -3.478 1.00 0.00 C ATOM 392 CD GLU A 24 -14.744 10.941 -4.405 1.00 0.00 C ATOM 393 OE1 GLU A 24 -15.845 10.764 -4.968 1.00 0.00 O ATOM 394 OE2 GLU A 24 -14.050 11.966 -4.566 1.00 0.00 O1- ATOM 0 H GLU A 24 -14.739 7.476 -2.602 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.353 6.935 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.560 9.336 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.984 8.347 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.071 9.359 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.637 10.315 -2.684 1.00 0.00 H new ATOM 401 N ARG A 25 -11.937 8.716 -1.240 1.00 0.00 N ATOM 402 CA ARG A 25 -10.941 9.263 -0.310 1.00 0.00 C ATOM 403 C ARG A 25 -10.051 8.150 0.249 1.00 0.00 C ATOM 404 O ARG A 25 -8.837 8.331 0.405 1.00 0.00 O ATOM 405 CB ARG A 25 -11.625 10.019 0.839 1.00 0.00 C ATOM 406 CG ARG A 25 -12.226 11.366 0.434 1.00 0.00 C ATOM 407 CD ARG A 25 -11.202 12.497 0.498 1.00 0.00 C ATOM 408 NE ARG A 25 -10.874 12.875 1.879 1.00 0.00 N ATOM 409 CZ ARG A 25 -9.904 13.732 2.228 1.00 0.00 C ATOM 410 NH1 ARG A 25 -9.141 14.320 1.308 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -9.697 14.001 3.509 1.00 0.00 N ATOM 0 H ARG A 25 -12.888 8.703 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.316 9.964 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.414 9.391 1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.898 10.183 1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.623 11.295 -0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.065 11.600 1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.292 12.190 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.591 13.367 -0.032 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.425 12.454 2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.290 14.121 0.319 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.408 14.969 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.274 13.557 4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.960 14.652 3.781 1.00 0.00 H new ATOM 425 N ILE A 26 -10.670 6.990 0.532 1.00 0.00 N ATOM 426 CA ILE A 26 -9.945 5.817 1.042 1.00 0.00 C ATOM 427 C ILE A 26 -9.022 5.259 -0.060 1.00 0.00 C ATOM 428 O ILE A 26 -7.913 4.797 0.225 1.00 0.00 O ATOM 429 CB ILE A 26 -10.917 4.708 1.565 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.860 5.288 2.642 1.00 0.00 C ATOM 431 CG2 ILE A 26 -10.134 3.514 2.134 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.137 4.492 2.866 1.00 0.00 C ATOM 0 H ILE A 26 -11.672 6.842 0.415 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.342 6.136 1.892 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.514 4.355 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.317 5.350 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.128 6.306 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.833 2.757 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.504 3.087 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.509 3.850 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.736 4.974 3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.707 4.451 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.884 3.480 3.182 1.00 0.00 H new ATOM 444 N LYS A 27 -9.489 5.345 -1.322 1.00 0.00 N ATOM 445 CA LYS A 27 -8.714 4.884 -2.490 1.00 0.00 C ATOM 446 C LYS A 27 -7.480 5.769 -2.683 1.00 0.00 C ATOM 447 O LYS A 27 -6.411 5.286 -3.067 1.00 0.00 O ATOM 448 CB LYS A 27 -9.561 4.902 -3.774 1.00 0.00 C ATOM 449 CG LYS A 27 -10.924 4.232 -3.641 1.00 0.00 C ATOM 450 CD LYS A 27 -11.622 4.090 -4.988 1.00 0.00 C ATOM 451 CE LYS A 27 -11.459 2.690 -5.560 1.00 0.00 C ATOM 452 NZ LYS A 27 -12.141 2.543 -6.876 1.00 0.00 N1+ ATOM 0 H LYS A 27 -10.403 5.731 -1.558 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.407 3.856 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.707 5.937 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.003 4.408 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.802 3.247 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.551 4.816 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.682 4.316 -4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.214 4.819 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.398 2.466 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.865 1.962 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.006 1.575 -7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.158 2.731 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.737 3.220 -7.554 1.00 0.00 H new ATOM 466 N GLU A 28 -7.652 7.078 -2.408 1.00 0.00 N ATOM 467 CA GLU A 28 -6.561 8.061 -2.495 1.00 0.00 C ATOM 468 C GLU A 28 -5.489 7.768 -1.439 1.00 0.00 C ATOM 469 O GLU A 28 -4.289 7.915 -1.701 1.00 0.00 O ATOM 470 CB GLU A 28 -7.100 9.485 -2.314 1.00 0.00 C ATOM 471 CG GLU A 28 -7.891 10.001 -3.508 1.00 0.00 C ATOM 472 CD GLU A 28 -8.413 11.409 -3.297 1.00 0.00 C ATOM 473 OE1 GLU A 28 -9.539 11.553 -2.776 1.00 0.00 O ATOM 474 OE2 GLU A 28 -7.695 12.367 -3.653 1.00 0.00 O1- ATOM 0 H GLU A 28 -8.546 7.478 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.111 7.982 -3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.736 9.512 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.264 10.158 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.257 9.981 -4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.729 9.332 -3.700 1.00 0.00 H new ATOM 481 N ARG A 29 -5.941 7.339 -0.242 1.00 0.00 N ATOM 482 CA ARG A 29 -5.037 6.974 0.866 1.00 0.00 C ATOM 483 C ARG A 29 -4.171 5.776 0.462 1.00 0.00 C ATOM 484 O ARG A 29 -2.972 5.724 0.768 1.00 0.00 O ATOM 485 CB ARG A 29 -5.832 6.624 2.139 1.00 0.00 C ATOM 486 CG ARG A 29 -6.631 7.781 2.739 1.00 0.00 C ATOM 487 CD ARG A 29 -5.755 8.719 3.562 1.00 0.00 C ATOM 488 NE ARG A 29 -6.529 9.815 4.156 1.00 0.00 N ATOM 489 CZ ARG A 29 -6.065 10.659 5.090 1.00 0.00 C ATOM 490 NH1 ARG A 29 -4.823 10.553 5.559 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -6.856 11.615 5.558 1.00 0.00 N ATOM 0 H ARG A 29 -6.931 7.237 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.401 7.834 1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.518 5.809 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.138 6.252 2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.110 8.344 1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.426 7.383 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.262 8.154 4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.970 9.132 2.928 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.489 9.945 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.206 9.820 5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.489 11.204 6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.810 11.705 5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.511 12.261 6.268 1.00 0.00 H new ATOM 505 N VAL A 30 -4.801 4.824 -0.250 1.00 0.00 N ATOM 506 CA VAL A 30 -4.123 3.615 -0.750 1.00 0.00 C ATOM 507 C VAL A 30 -3.003 4.009 -1.733 1.00 0.00 C ATOM 508 O VAL A 30 -1.873 3.528 -1.618 1.00 0.00 O ATOM 509 CB VAL A 30 -5.130 2.638 -1.444 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.473 1.310 -1.809 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.347 2.375 -0.562 1.00 0.00 C ATOM 0 H VAL A 30 -5.790 4.871 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.689 3.095 0.104 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.454 3.129 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.206 0.661 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.645 1.490 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.098 0.829 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.026 1.693 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.025 1.929 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.860 3.315 -0.361 1.00 0.00 H new ATOM 521 N GLU A 31 -3.333 4.917 -2.672 1.00 0.00 N ATOM 522 CA GLU A 31 -2.385 5.420 -3.687 1.00 0.00 C ATOM 523 C GLU A 31 -1.122 6.007 -3.031 1.00 0.00 C ATOM 524 O GLU A 31 0.001 5.741 -3.471 1.00 0.00 O ATOM 525 CB GLU A 31 -3.082 6.490 -4.555 1.00 0.00 C ATOM 526 CG GLU A 31 -2.246 7.011 -5.723 1.00 0.00 C ATOM 527 CD GLU A 31 -2.795 8.295 -6.321 1.00 0.00 C ATOM 528 OE1 GLU A 31 -2.840 9.317 -5.602 1.00 0.00 O ATOM 529 OE2 GLU A 31 -3.169 8.281 -7.512 1.00 0.00 O1- ATOM 0 H GLU A 31 -4.265 5.323 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.074 4.585 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.009 6.072 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.356 7.332 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.225 7.183 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.200 6.247 -6.499 1.00 0.00 H new ATOM 536 N GLU A 32 -1.336 6.795 -1.972 1.00 0.00 N ATOM 537 CA GLU A 32 -0.249 7.445 -1.220 1.00 0.00 C ATOM 538 C GLU A 32 0.644 6.438 -0.489 1.00 0.00 C ATOM 539 O GLU A 32 1.824 6.710 -0.252 1.00 0.00 O ATOM 540 CB GLU A 32 -0.824 8.438 -0.205 1.00 0.00 C ATOM 541 CG GLU A 32 -1.544 9.614 -0.841 1.00 0.00 C ATOM 542 CD GLU A 32 -1.679 10.797 0.097 1.00 0.00 C ATOM 543 OE1 GLU A 32 -2.691 10.866 0.825 1.00 0.00 O ATOM 544 OE2 GLU A 32 -0.771 11.656 0.105 1.00 0.00 O1- ATOM 0 H GLU A 32 -2.267 7.002 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 32 0.367 7.968 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.516 7.912 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.014 8.814 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.003 9.925 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.536 9.296 -1.163 1.00 0.00 H new ATOM 551 N LYS A 33 0.074 5.279 -0.136 1.00 0.00 N ATOM 552 CA LYS A 33 0.811 4.236 0.591 1.00 0.00 C ATOM 553 C LYS A 33 1.632 3.318 -0.325 1.00 0.00 C ATOM 554 O LYS A 33 2.808 3.063 -0.046 1.00 0.00 O ATOM 555 CB LYS A 33 -0.148 3.397 1.428 1.00 0.00 C ATOM 556 CG LYS A 33 -0.051 3.676 2.916 1.00 0.00 C ATOM 557 CD LYS A 33 -0.813 2.634 3.710 1.00 0.00 C ATOM 558 CE LYS A 33 -0.778 2.919 5.203 1.00 0.00 C ATOM 559 NZ LYS A 33 -1.638 4.081 5.573 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.896 5.039 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 33 1.519 4.757 1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.169 3.586 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.055 2.341 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.995 3.680 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.450 4.667 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.848 2.605 3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.387 1.649 3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.109 2.035 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.249 3.116 5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.041 4.859 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.170 4.399 4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.304 3.796 6.320 1.00 0.00 H new ATOM 573 N GLU A 34 1.017 2.825 -1.407 1.00 0.00 N ATOM 574 CA GLU A 34 1.695 1.910 -2.334 1.00 0.00 C ATOM 575 C GLU A 34 2.251 2.622 -3.569 1.00 0.00 C ATOM 576 O GLU A 34 3.352 2.296 -4.028 1.00 0.00 O ATOM 577 CB GLU A 34 0.740 0.794 -2.766 1.00 0.00 C ATOM 578 CG GLU A 34 1.184 -0.591 -2.321 1.00 0.00 C ATOM 579 CD GLU A 34 0.198 -1.673 -2.716 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.341 -2.230 -3.824 1.00 0.00 O ATOM 581 OE2 GLU A 34 -0.717 -1.963 -1.916 1.00 0.00 O1- ATOM 0 H GLU A 34 0.054 3.043 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 34 2.544 1.488 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.251 0.997 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.648 0.806 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.157 -0.814 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.311 -0.598 -1.238 1.00 0.00 H new ATOM 588 N GLY A 35 1.494 3.586 -4.103 1.00 0.00 N ATOM 589 CA GLY A 35 1.923 4.313 -5.292 1.00 0.00 C ATOM 590 C GLY A 35 1.217 3.836 -6.551 1.00 0.00 C ATOM 591 O GLY A 35 1.831 3.763 -7.619 1.00 0.00 O ATOM 0 H GLY A 35 0.589 3.876 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.731 5.377 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.000 4.197 -5.417 1.00 0.00 H new ATOM 595 N ILE A 36 -0.077 3.514 -6.417 1.00 0.00 N ATOM 596 CA ILE A 36 -0.888 3.035 -7.543 1.00 0.00 C ATOM 597 C ILE A 36 -2.137 3.922 -7.711 1.00 0.00 C ATOM 598 O ILE A 36 -2.803 4.224 -6.718 1.00 0.00 O ATOM 599 CB ILE A 36 -1.318 1.543 -7.351 1.00 0.00 C ATOM 600 CG1 ILE A 36 -0.079 0.639 -7.214 1.00 0.00 C ATOM 601 CG2 ILE A 36 -2.201 1.057 -8.513 1.00 0.00 C ATOM 602 CD1 ILE A 36 -0.339 -0.661 -6.477 1.00 0.00 C ATOM 0 H ILE A 36 -0.586 3.577 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.274 3.095 -8.442 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.905 1.484 -6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.302 0.410 -8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.703 1.190 -6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.481 0.017 -8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.100 1.671 -8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.648 1.139 -9.449 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.583 -1.240 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.690 -0.443 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.097 -1.235 -7.009 1.00 0.00 H new ATOM 614 N PRO A 37 -2.488 4.340 -8.971 1.00 0.00 N ATOM 615 CA PRO A 37 -3.674 5.189 -9.237 1.00 0.00 C ATOM 616 C PRO A 37 -4.995 4.556 -8.743 1.00 0.00 C ATOM 617 O PRO A 37 -5.187 3.349 -8.915 1.00 0.00 O ATOM 618 CB PRO A 37 -3.693 5.323 -10.771 1.00 0.00 C ATOM 619 CG PRO A 37 -2.814 4.228 -11.272 1.00 0.00 C ATOM 620 CD PRO A 37 -1.760 4.043 -10.230 1.00 0.00 C ATOM 0 HA PRO A 37 -3.603 6.140 -8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.706 5.225 -11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.323 6.299 -11.085 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.381 3.309 -11.422 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.372 4.490 -12.233 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.359 3.030 -10.236 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.919 4.720 -10.380 1.00 0.00 H new ATOM 628 N PRO A 38 -5.928 5.353 -8.125 1.00 0.00 N ATOM 629 CA PRO A 38 -7.222 4.830 -7.618 1.00 0.00 C ATOM 630 C PRO A 38 -8.078 4.140 -8.693 1.00 0.00 C ATOM 631 O PRO A 38 -8.693 3.099 -8.431 1.00 0.00 O ATOM 632 CB PRO A 38 -7.945 6.083 -7.100 1.00 0.00 C ATOM 633 CG PRO A 38 -6.869 7.070 -6.828 1.00 0.00 C ATOM 634 CD PRO A 38 -5.797 6.807 -7.847 1.00 0.00 C ATOM 0 HA PRO A 38 -7.055 4.060 -6.865 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.651 6.464 -7.838 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.515 5.864 -6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.245 8.090 -6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.481 6.955 -5.816 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.946 7.402 -8.748 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.808 7.054 -7.461 1.00 0.00 H new ATOM 642 N GLN A 39 -8.076 4.708 -9.910 1.00 0.00 N ATOM 643 CA GLN A 39 -8.867 4.187 -11.043 1.00 0.00 C ATOM 644 C GLN A 39 -8.448 2.773 -11.484 1.00 0.00 C ATOM 645 O GLN A 39 -9.187 2.113 -12.222 1.00 0.00 O ATOM 646 CB GLN A 39 -8.766 5.142 -12.237 1.00 0.00 C ATOM 647 CG GLN A 39 -9.557 6.432 -12.063 1.00 0.00 C ATOM 648 CD GLN A 39 -9.435 7.357 -13.258 1.00 0.00 C ATOM 649 OE1 GLN A 39 -10.228 7.286 -14.196 1.00 0.00 O ATOM 650 NE2 GLN A 39 -8.435 8.232 -13.229 1.00 0.00 N ATOM 0 H GLN A 39 -7.529 5.538 -10.138 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.896 4.119 -10.691 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.718 5.390 -12.404 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.119 4.629 -13.131 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.608 6.191 -11.901 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.208 6.950 -11.170 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.801 8.256 -12.430 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.302 8.880 -14.005 1.00 0.00 H new ATOM 659 N GLN A 40 -7.275 2.315 -11.030 1.00 0.00 N ATOM 660 CA GLN A 40 -6.777 0.981 -11.389 1.00 0.00 C ATOM 661 C GLN A 40 -6.837 0.006 -10.206 1.00 0.00 C ATOM 662 O GLN A 40 -6.338 -1.119 -10.321 1.00 0.00 O ATOM 663 CB GLN A 40 -5.337 1.053 -11.915 1.00 0.00 C ATOM 664 CG GLN A 40 -5.160 1.922 -13.156 1.00 0.00 C ATOM 665 CD GLN A 40 -3.858 1.644 -13.883 1.00 0.00 C ATOM 666 OE1 GLN A 40 -2.832 2.263 -13.605 1.00 0.00 O ATOM 667 NE2 GLN A 40 -3.895 0.705 -14.822 1.00 0.00 N ATOM 0 H GLN A 40 -6.656 2.845 -10.417 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.432 0.607 -12.176 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.693 1.437 -11.123 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.996 0.043 -12.142 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.995 1.752 -13.836 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.193 2.972 -12.867 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.768 0.216 -15.020 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.050 0.473 -15.345 1.00 0.00 H new ATOM 676 N GLN A 41 -7.486 0.432 -9.097 1.00 0.00 N ATOM 677 CA GLN A 41 -7.637 -0.386 -7.857 1.00 0.00 C ATOM 678 C GLN A 41 -9.103 -0.368 -7.338 1.00 0.00 C ATOM 679 O GLN A 41 -9.588 0.697 -6.941 1.00 0.00 O ATOM 680 CB GLN A 41 -6.669 0.099 -6.754 1.00 0.00 C ATOM 681 CG GLN A 41 -6.447 1.607 -6.710 1.00 0.00 C ATOM 682 CD GLN A 41 -7.032 2.247 -5.470 1.00 0.00 C ATOM 683 OE1 GLN A 41 -8.196 2.648 -5.452 1.00 0.00 O ATOM 684 NE2 GLN A 41 -6.222 2.351 -4.425 1.00 0.00 N ATOM 0 H GLN A 41 -7.922 1.352 -9.031 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.383 -1.415 -8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.053 -0.225 -5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.706 -0.391 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.378 1.814 -6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.894 2.062 -7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.265 2.005 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.557 2.777 -3.561 1.00 0.00 H new ATOM 693 N ARG A 42 -9.822 -1.540 -7.348 1.00 0.00 N ATOM 694 CA ARG A 42 -11.213 -1.571 -6.875 1.00 0.00 C ATOM 695 C ARG A 42 -11.300 -2.064 -5.434 1.00 0.00 C ATOM 696 O ARG A 42 -10.436 -2.812 -4.974 1.00 0.00 O ATOM 697 CB ARG A 42 -12.075 -2.457 -7.774 1.00 0.00 C ATOM 698 CG ARG A 42 -13.425 -1.842 -8.111 1.00 0.00 C ATOM 699 CD ARG A 42 -14.231 -2.730 -9.045 1.00 0.00 C ATOM 700 NE ARG A 42 -13.732 -2.684 -10.427 1.00 0.00 N ATOM 701 CZ ARG A 42 -14.325 -3.278 -11.472 1.00 0.00 C ATOM 702 NH1 ARG A 42 -15.448 -3.978 -11.322 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -13.782 -3.174 -12.678 1.00 0.00 N ATOM 0 H ARG A 42 -9.459 -2.437 -7.671 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.590 -0.549 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.535 -2.659 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.234 -3.417 -7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.988 -1.674 -7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.275 -0.867 -8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.199 -3.758 -8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.275 -2.419 -9.028 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.873 -2.163 -10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.872 -4.070 -10.399 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.884 -4.422 -12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.919 -2.645 -12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.227 -3.623 -13.478 1.00 0.00 H new ATOM 717 N LEU A 43 -12.355 -1.633 -4.733 1.00 0.00 N ATOM 718 CA LEU A 43 -12.583 -2.024 -3.343 1.00 0.00 C ATOM 719 C LEU A 43 -13.883 -2.823 -3.228 1.00 0.00 C ATOM 720 O LEU A 43 -14.963 -2.330 -3.580 1.00 0.00 O ATOM 721 CB LEU A 43 -12.618 -0.774 -2.444 1.00 0.00 C ATOM 722 CG LEU A 43 -12.293 -0.997 -0.957 1.00 0.00 C ATOM 723 CD1 LEU A 43 -10.795 -1.186 -0.736 1.00 0.00 C ATOM 724 CD2 LEU A 43 -12.800 0.173 -0.128 1.00 0.00 C ATOM 0 H LEU A 43 -13.067 -1.009 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.764 -2.661 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.913 -0.045 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.610 -0.329 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.797 -1.909 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.600 -1.341 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.451 -2.054 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.262 -0.298 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.564 0.004 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.320 1.092 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.880 0.263 -0.248 1.00 0.00 H new ATOM 736 N ILE A 44 -13.757 -4.060 -2.739 1.00 0.00 N ATOM 737 CA ILE A 44 -14.901 -4.965 -2.586 1.00 0.00 C ATOM 738 C ILE A 44 -15.092 -5.358 -1.118 1.00 0.00 C ATOM 739 O ILE A 44 -14.119 -5.580 -0.392 1.00 0.00 O ATOM 740 CB ILE A 44 -14.733 -6.263 -3.451 1.00 0.00 C ATOM 741 CG1 ILE A 44 -14.143 -5.970 -4.864 1.00 0.00 C ATOM 742 CG2 ILE A 44 -16.057 -7.032 -3.571 1.00 0.00 C ATOM 743 CD1 ILE A 44 -14.898 -4.948 -5.710 1.00 0.00 C ATOM 0 H ILE A 44 -12.868 -4.460 -2.440 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.781 -4.426 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 44 -14.014 -6.890 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.117 -5.623 -4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.098 -6.908 -5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.905 -7.926 -4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -16.401 -7.321 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.805 -6.396 -4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.395 -4.827 -6.669 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.918 -5.295 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.921 -3.991 -5.189 1.00 0.00 H new ATOM 755 N TYR A 45 -16.365 -5.435 -0.702 1.00 0.00 N ATOM 756 CA TYR A 45 -16.733 -5.814 0.667 1.00 0.00 C ATOM 757 C TYR A 45 -18.042 -6.606 0.658 1.00 0.00 C ATOM 758 O TYR A 45 -19.035 -6.169 0.070 1.00 0.00 O ATOM 759 CB TYR A 45 -16.870 -4.565 1.564 1.00 0.00 C ATOM 760 CG TYR A 45 -16.961 -4.861 3.055 1.00 0.00 C ATOM 761 CD1 TYR A 45 -15.844 -5.267 3.781 1.00 0.00 C ATOM 762 CD2 TYR A 45 -18.167 -4.729 3.732 1.00 0.00 C ATOM 763 CE1 TYR A 45 -15.930 -5.533 5.133 1.00 0.00 C ATOM 764 CE2 TYR A 45 -18.260 -4.993 5.086 1.00 0.00 C ATOM 765 CZ TYR A 45 -17.139 -5.396 5.781 1.00 0.00 C ATOM 766 OH TYR A 45 -17.228 -5.660 7.128 1.00 0.00 O ATOM 0 H TYR A 45 -17.164 -5.237 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.941 -6.442 1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.015 -3.912 1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.760 -4.013 1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.895 -5.376 3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -19.047 -4.415 3.191 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.054 -5.847 5.681 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -19.205 -4.884 5.597 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.149 -5.514 7.430 1.00 0.00 H new ATOM 776 N SER A 46 -18.028 -7.785 1.320 1.00 0.00 N ATOM 777 CA SER A 46 -19.204 -8.692 1.422 1.00 0.00 C ATOM 778 C SER A 46 -19.664 -9.222 0.047 1.00 0.00 C ATOM 779 O SER A 46 -20.762 -9.780 -0.080 1.00 0.00 O ATOM 780 CB SER A 46 -20.377 -7.993 2.138 1.00 0.00 C ATOM 781 OG SER A 46 -20.003 -7.565 3.436 1.00 0.00 O ATOM 0 H SER A 46 -17.201 -8.139 1.801 1.00 0.00 H new ATOM 0 HA SER A 46 -18.883 -9.550 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 46 -20.706 -7.136 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 46 -21.223 -8.676 2.207 1.00 0.00 H new ATOM 0 HG SER A 46 -19.474 -6.743 3.370 1.00 0.00 H new ATOM 787 N GLY A 47 -18.804 -9.067 -0.969 1.00 0.00 N ATOM 788 CA GLY A 47 -19.131 -9.513 -2.317 1.00 0.00 C ATOM 789 C GLY A 47 -19.708 -8.398 -3.178 1.00 0.00 C ATOM 790 O GLY A 47 -19.882 -8.571 -4.388 1.00 0.00 O ATOM 0 H GLY A 47 -17.883 -8.638 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.233 -9.907 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.848 -10.332 -2.261 1.00 0.00 H new ATOM 794 N LYS A 48 -20.001 -7.253 -2.544 1.00 0.00 N ATOM 795 CA LYS A 48 -20.561 -6.090 -3.234 1.00 0.00 C ATOM 796 C LYS A 48 -19.458 -5.117 -3.651 1.00 0.00 C ATOM 797 O LYS A 48 -18.384 -5.088 -3.042 1.00 0.00 O ATOM 798 CB LYS A 48 -21.577 -5.372 -2.337 1.00 0.00 C ATOM 799 CG LYS A 48 -22.895 -6.118 -2.179 1.00 0.00 C ATOM 800 CD LYS A 48 -23.866 -5.352 -1.296 1.00 0.00 C ATOM 801 CE LYS A 48 -25.188 -6.088 -1.151 1.00 0.00 C ATOM 802 NZ LYS A 48 -26.148 -5.343 -0.291 1.00 0.00 N1+ ATOM 0 H LYS A 48 -19.856 -7.111 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 48 -21.067 -6.445 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.135 -5.222 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -21.777 -4.384 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -23.343 -6.279 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -22.708 -7.102 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -23.423 -5.201 -0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -24.043 -4.364 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -25.628 -6.242 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -25.009 -7.075 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.036 -5.879 -0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -25.740 -5.218 0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.339 -4.411 -0.711 1.00 0.00 H new ATOM 816 N GLN A 49 -19.738 -4.324 -4.693 1.00 0.00 N ATOM 817 CA GLN A 49 -18.779 -3.341 -5.213 1.00 0.00 C ATOM 818 C GLN A 49 -18.971 -1.984 -4.540 1.00 0.00 C ATOM 819 O GLN A 49 -20.107 -1.541 -4.344 1.00 0.00 O ATOM 820 CB GLN A 49 -18.939 -3.182 -6.735 1.00 0.00 C ATOM 821 CG GLN A 49 -18.540 -4.409 -7.554 1.00 0.00 C ATOM 822 CD GLN A 49 -19.627 -5.468 -7.608 1.00 0.00 C ATOM 823 OE1 GLN A 49 -20.495 -5.438 -8.480 1.00 0.00 O ATOM 824 NE2 GLN A 49 -19.580 -6.413 -6.676 1.00 0.00 N ATOM 0 H GLN A 49 -20.626 -4.345 -5.195 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.776 -3.707 -4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -19.979 -2.940 -6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -18.338 -2.333 -7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.294 -4.097 -8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.637 -4.845 -7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.842 -6.399 -5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.282 -7.153 -6.664 1.00 0.00 H new ATOM 833 N MET A 50 -17.854 -1.331 -4.189 1.00 0.00 N ATOM 834 CA MET A 50 -17.887 -0.017 -3.540 1.00 0.00 C ATOM 835 C MET A 50 -17.876 1.102 -4.584 1.00 0.00 C ATOM 836 O MET A 50 -16.995 1.144 -5.450 1.00 0.00 O ATOM 837 CB MET A 50 -16.696 0.139 -2.588 1.00 0.00 C ATOM 838 CG MET A 50 -16.696 -0.847 -1.423 1.00 0.00 C ATOM 839 SD MET A 50 -18.092 -0.616 -0.302 1.00 0.00 S ATOM 840 CE MET A 50 -17.541 0.793 0.659 1.00 0.00 C ATOM 0 H MET A 50 -16.914 -1.695 -4.345 1.00 0.00 H new ATOM 0 HA MET A 50 -18.810 0.056 -2.964 1.00 0.00 H new ATOM 0 HB2 MET A 50 -15.773 0.015 -3.155 1.00 0.00 H new ATOM 0 HB3 MET A 50 -16.693 1.154 -2.191 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.717 -1.864 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.767 -0.740 -0.864 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.087 0.826 1.602 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.474 0.701 0.861 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.727 1.710 0.100 1.00 0.00 H new ATOM 850 N ASN A 51 -18.864 2.000 -4.493 1.00 0.00 N ATOM 851 CA ASN A 51 -18.993 3.121 -5.430 1.00 0.00 C ATOM 852 C ASN A 51 -18.364 4.394 -4.868 1.00 0.00 C ATOM 853 O ASN A 51 -18.485 4.683 -3.672 1.00 0.00 O ATOM 854 CB ASN A 51 -20.466 3.373 -5.761 1.00 0.00 C ATOM 855 CG ASN A 51 -21.064 2.284 -6.632 1.00 0.00 C ATOM 856 OD1 ASN A 51 -21.602 1.297 -6.129 1.00 0.00 O ATOM 857 ND2 ASN A 51 -20.970 2.458 -7.945 1.00 0.00 N ATOM 0 H ASN A 51 -19.589 1.971 -3.776 1.00 0.00 H new ATOM 0 HA ASN A 51 -18.460 2.851 -6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -21.035 3.445 -4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -20.561 4.333 -6.269 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -21.352 1.758 -8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -20.516 3.292 -8.318 1.00 0.00 H new ATOM 864 N ASP A 52 -17.719 5.166 -5.758 1.00 0.00 N ATOM 865 CA ASP A 52 -17.044 6.427 -5.391 1.00 0.00 C ATOM 866 C ASP A 52 -18.026 7.503 -4.903 1.00 0.00 C ATOM 867 O ASP A 52 -17.610 8.497 -4.298 1.00 0.00 O ATOM 868 CB ASP A 52 -16.248 6.965 -6.585 1.00 0.00 C ATOM 869 CG ASP A 52 -15.032 6.115 -6.907 1.00 0.00 C ATOM 870 OD1 ASP A 52 -15.165 5.169 -7.712 1.00 0.00 O1- ATOM 871 OD2 ASP A 52 -13.947 6.397 -6.354 1.00 0.00 O ATOM 0 H ASP A 52 -17.649 4.937 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.372 6.197 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.897 7.010 -7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.928 7.985 -6.373 1.00 0.00 H new ATOM 876 N GLU A 53 -19.322 7.294 -5.169 1.00 0.00 N ATOM 877 CA GLU A 53 -20.370 8.230 -4.753 1.00 0.00 C ATOM 878 C GLU A 53 -20.947 7.844 -3.385 1.00 0.00 C ATOM 879 O GLU A 53 -21.708 8.612 -2.788 1.00 0.00 O ATOM 880 CB GLU A 53 -21.494 8.275 -5.800 1.00 0.00 C ATOM 881 CG GLU A 53 -21.117 8.991 -7.094 1.00 0.00 C ATOM 882 CD GLU A 53 -21.179 10.503 -6.976 1.00 0.00 C ATOM 883 OE1 GLU A 53 -20.152 11.113 -6.613 1.00 0.00 O ATOM 884 OE2 GLU A 53 -22.255 11.077 -7.250 1.00 0.00 O1- ATOM 0 H GLU A 53 -19.669 6.479 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.919 9.219 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.795 7.255 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.362 8.770 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.109 8.696 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.787 8.667 -7.890 1.00 0.00 H new ATOM 891 N LYS A 54 -20.570 6.652 -2.896 1.00 0.00 N ATOM 892 CA LYS A 54 -21.042 6.154 -1.603 1.00 0.00 C ATOM 893 C LYS A 54 -19.939 6.249 -0.546 1.00 0.00 C ATOM 894 O LYS A 54 -18.779 6.521 -0.875 1.00 0.00 O ATOM 895 CB LYS A 54 -21.532 4.702 -1.738 1.00 0.00 C ATOM 896 CG LYS A 54 -22.794 4.553 -2.574 1.00 0.00 C ATOM 897 CD LYS A 54 -23.419 3.179 -2.398 1.00 0.00 C ATOM 898 CE LYS A 54 -24.692 3.037 -3.216 1.00 0.00 C ATOM 899 NZ LYS A 54 -25.318 1.697 -3.041 1.00 0.00 N1+ ATOM 0 H LYS A 54 -19.937 6.016 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.876 6.777 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -20.739 4.101 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.717 4.297 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -23.513 5.320 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.556 4.714 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -22.705 2.412 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.642 3.012 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -25.401 3.810 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -24.466 3.197 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -26.183 1.640 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -24.651 0.960 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.557 1.554 -2.039 1.00 0.00 H new ATOM 913 N THR A 55 -20.308 6.024 0.724 1.00 0.00 N ATOM 914 CA THR A 55 -19.359 6.090 1.832 1.00 0.00 C ATOM 915 C THR A 55 -19.260 4.744 2.547 1.00 0.00 C ATOM 916 O THR A 55 -20.120 3.873 2.375 1.00 0.00 O ATOM 917 CB THR A 55 -19.744 7.179 2.863 1.00 0.00 C ATOM 918 OG1 THR A 55 -21.067 6.949 3.362 1.00 0.00 O ATOM 919 CG2 THR A 55 -19.664 8.576 2.263 1.00 0.00 C ATOM 0 H THR A 55 -21.262 5.794 1.004 1.00 0.00 H new ATOM 0 HA THR A 55 -18.393 6.348 1.397 1.00 0.00 H new ATOM 0 HB THR A 55 -19.028 7.117 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.646 6.651 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 55 -19.941 9.312 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.646 8.769 1.925 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.347 8.648 1.417 1.00 0.00 H new ATOM 927 N ALA A 56 -18.213 4.598 3.372 1.00 0.00 N ATOM 928 CA ALA A 56 -17.960 3.370 4.138 1.00 0.00 C ATOM 929 C ALA A 56 -19.135 2.996 5.051 1.00 0.00 C ATOM 930 O ALA A 56 -19.422 1.810 5.243 1.00 0.00 O ATOM 931 CB ALA A 56 -16.693 3.534 4.952 1.00 0.00 C ATOM 0 H ALA A 56 -17.518 5.328 3.527 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.842 2.554 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.505 2.623 5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.853 3.724 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.808 4.373 5.639 1.00 0.00 H new ATOM 937 N ALA A 57 -19.815 4.018 5.602 1.00 0.00 N ATOM 938 CA ALA A 57 -20.974 3.811 6.486 1.00 0.00 C ATOM 939 C ALA A 57 -22.133 3.116 5.760 1.00 0.00 C ATOM 940 O ALA A 57 -22.860 2.318 6.365 1.00 0.00 O ATOM 941 CB ALA A 57 -21.442 5.141 7.059 1.00 0.00 C ATOM 0 H ALA A 57 -19.580 4.999 5.449 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.653 3.158 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.300 4.975 7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -20.633 5.595 7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.729 5.807 6.245 1.00 0.00 H new ATOM 947 N ASP A 58 -22.272 3.396 4.449 1.00 0.00 N ATOM 948 CA ASP A 58 -23.336 2.808 3.618 1.00 0.00 C ATOM 949 C ASP A 58 -23.189 1.285 3.476 1.00 0.00 C ATOM 950 O ASP A 58 -24.128 0.603 3.056 1.00 0.00 O ATOM 951 CB ASP A 58 -23.334 3.459 2.235 1.00 0.00 C ATOM 952 CG ASP A 58 -23.964 4.838 2.242 1.00 0.00 C ATOM 953 OD1 ASP A 58 -25.210 4.921 2.277 1.00 0.00 O1- ATOM 954 OD2 ASP A 58 -23.213 5.834 2.211 1.00 0.00 O ATOM 0 H ASP A 58 -21.655 4.030 3.942 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.285 3.000 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.308 3.533 1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.873 2.820 1.535 1.00 0.00 H new ATOM 959 N TYR A 59 -22.005 0.773 3.832 1.00 0.00 N ATOM 960 CA TYR A 59 -21.717 -0.658 3.766 1.00 0.00 C ATOM 961 C TYR A 59 -21.402 -1.215 5.166 1.00 0.00 C ATOM 962 O TYR A 59 -20.770 -2.268 5.302 1.00 0.00 O ATOM 963 CB TYR A 59 -20.556 -0.911 2.795 1.00 0.00 C ATOM 964 CG TYR A 59 -20.927 -0.721 1.338 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.949 0.545 0.762 1.00 0.00 C ATOM 966 CD2 TYR A 59 -21.255 -1.809 0.539 1.00 0.00 C ATOM 967 CE1 TYR A 59 -21.288 0.720 -0.566 1.00 0.00 C ATOM 968 CE2 TYR A 59 -21.596 -1.642 -0.790 1.00 0.00 C ATOM 969 CZ TYR A 59 -21.610 -0.376 -1.338 1.00 0.00 C ATOM 970 OH TYR A 59 -21.948 -0.207 -2.661 1.00 0.00 O ATOM 0 H TYR A 59 -21.226 1.338 4.171 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.599 -1.180 3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.734 -0.239 3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -20.190 -1.928 2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.697 1.406 1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -21.243 -2.802 0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -21.301 1.710 -0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.850 -2.499 -1.397 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.299 -0.675 -3.227 1.00 0.00 H new ATOM 980 N LYS A 60 -21.876 -0.487 6.211 1.00 0.00 N ATOM 981 CA LYS A 60 -21.701 -0.850 7.648 1.00 0.00 C ATOM 982 C LYS A 60 -20.259 -1.279 8.021 1.00 0.00 C ATOM 983 O LYS A 60 -20.057 -2.110 8.917 1.00 0.00 O ATOM 984 CB LYS A 60 -22.753 -1.908 8.113 1.00 0.00 C ATOM 985 CG LYS A 60 -22.880 -3.174 7.252 1.00 0.00 C ATOM 986 CD LYS A 60 -21.821 -4.215 7.595 1.00 0.00 C ATOM 987 CE LYS A 60 -21.977 -5.468 6.749 1.00 0.00 C ATOM 988 NZ LYS A 60 -20.946 -6.492 7.077 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.397 0.380 6.081 1.00 0.00 H new ATOM 0 HA LYS A 60 -21.883 0.073 8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.505 -2.211 9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.729 -1.424 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -23.871 -3.607 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.794 -2.905 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.829 -3.791 7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.894 -4.476 8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.970 -5.890 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.904 -5.205 5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -20.168 -6.435 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -20.576 -6.318 8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -21.373 -7.439 7.039 1.00 0.00 H new ATOM 1002 N ILE A 61 -19.265 -0.684 7.346 1.00 0.00 N ATOM 1003 CA ILE A 61 -17.849 -0.984 7.608 1.00 0.00 C ATOM 1004 C ILE A 61 -17.342 -0.128 8.779 1.00 0.00 C ATOM 1005 O ILE A 61 -17.455 1.101 8.752 1.00 0.00 O ATOM 1006 CB ILE A 61 -16.960 -0.743 6.348 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.596 -1.384 5.099 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.550 -1.304 6.564 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.222 -0.706 3.792 1.00 0.00 C ATOM 0 H ILE A 61 -19.416 0.009 6.613 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.776 -2.041 7.866 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.888 0.333 6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -17.298 -2.431 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.680 -1.366 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.947 -1.125 5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -15.089 -0.810 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.610 -2.376 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.711 -1.218 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.545 0.335 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -16.141 -0.747 3.657 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.787 -0.797 9.796 1.00 0.00 N ATOM 1022 CA LEU A 62 -16.276 -0.119 10.991 1.00 0.00 C ATOM 1023 C LEU A 62 -14.842 -0.553 11.321 1.00 0.00 C ATOM 1024 O LEU A 62 -14.291 -1.469 10.689 1.00 0.00 O ATOM 1025 CB LEU A 62 -17.207 -0.399 12.186 1.00 0.00 C ATOM 1026 CG LEU A 62 -18.610 0.219 12.095 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -19.615 -0.636 12.850 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -18.611 1.641 12.642 1.00 0.00 C ATOM 0 H LEU A 62 -16.680 -1.811 9.814 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.255 0.952 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.312 -1.478 12.297 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.726 -0.031 13.092 1.00 0.00 H new ATOM 0 HG LEU A 62 -18.899 0.255 11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -20.605 -0.185 12.776 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -19.639 -1.636 12.418 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -19.323 -0.701 13.898 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.615 2.059 12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.299 1.629 13.686 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.919 2.254 12.064 1.00 0.00 H new ATOM 1040 N GLY A 63 -14.245 0.118 12.332 1.00 0.00 N ATOM 1041 CA GLY A 63 -12.880 -0.177 12.771 1.00 0.00 C ATOM 1042 C GLY A 63 -12.690 -1.626 13.183 1.00 0.00 C ATOM 1043 O GLY A 63 -13.111 -2.033 14.270 1.00 0.00 O ATOM 0 H GLY A 63 -14.697 0.868 12.855 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.186 0.060 11.965 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.626 0.470 13.611 1.00 0.00 H new ATOM 1047 N GLY A 64 -12.048 -2.389 12.300 1.00 0.00 N ATOM 1048 CA GLY A 64 -11.809 -3.801 12.539 1.00 0.00 C ATOM 1049 C GLY A 64 -12.235 -4.670 11.365 1.00 0.00 C ATOM 1050 O GLY A 64 -12.033 -5.888 11.393 1.00 0.00 O ATOM 0 H GLY A 64 -11.685 -2.046 11.411 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.749 -3.958 12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.350 -4.112 13.433 1.00 0.00 H new ATOM 1054 N SER A 65 -12.825 -4.040 10.332 1.00 0.00 N ATOM 1055 CA SER A 65 -13.280 -4.755 9.137 1.00 0.00 C ATOM 1056 C SER A 65 -12.146 -4.934 8.130 1.00 0.00 C ATOM 1057 O SER A 65 -11.271 -4.070 8.005 1.00 0.00 O ATOM 1058 CB SER A 65 -14.436 -4.001 8.483 1.00 0.00 C ATOM 1059 OG SER A 65 -15.543 -3.897 9.364 1.00 0.00 O ATOM 0 H SER A 65 -12.996 -3.035 10.306 1.00 0.00 H new ATOM 0 HA SER A 65 -13.619 -5.743 9.448 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.105 -3.004 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.740 -4.516 7.571 1.00 0.00 H new ATOM 0 HG SER A 65 -15.349 -3.231 10.056 1.00 0.00 H new ATOM 1065 N VAL A 66 -12.176 -6.066 7.424 1.00 0.00 N ATOM 1066 CA VAL A 66 -11.163 -6.388 6.417 1.00 0.00 C ATOM 1067 C VAL A 66 -11.725 -6.114 5.016 1.00 0.00 C ATOM 1068 O VAL A 66 -12.666 -6.779 4.574 1.00 0.00 O ATOM 1069 CB VAL A 66 -10.686 -7.872 6.522 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -9.438 -8.120 5.676 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -10.411 -8.268 7.972 1.00 0.00 C ATOM 0 H VAL A 66 -12.897 -6.780 7.533 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.296 -5.753 6.599 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.496 -8.491 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.134 -9.162 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.658 -7.902 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.631 -7.473 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.081 -9.306 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.633 -7.625 8.383 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.323 -8.156 8.559 1.00 0.00 H new ATOM 1081 N LEU A 67 -11.137 -5.124 4.338 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.561 -4.739 2.990 1.00 0.00 C ATOM 1083 C LEU A 67 -10.650 -5.358 1.933 1.00 0.00 C ATOM 1084 O LEU A 67 -9.464 -5.590 2.187 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.567 -3.207 2.848 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.544 -2.449 3.765 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -12.080 -1.017 3.951 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.956 -2.466 3.192 1.00 0.00 C ATOM 0 H LEU A 67 -10.361 -4.572 4.704 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.572 -5.114 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.559 -2.840 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.804 -2.959 1.813 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.560 -2.951 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.778 -0.490 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.088 -1.012 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.040 -0.519 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.626 -1.924 3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -13.957 -1.990 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.297 -3.497 3.095 1.00 0.00 H new ATOM 1100 N HIS A 68 -11.218 -5.622 0.751 1.00 0.00 N ATOM 1101 CA HIS A 68 -10.471 -6.224 -0.357 1.00 0.00 C ATOM 1102 C HIS A 68 -10.231 -5.217 -1.479 1.00 0.00 C ATOM 1103 O HIS A 68 -11.052 -4.324 -1.708 1.00 0.00 O ATOM 1104 CB HIS A 68 -11.220 -7.442 -0.907 1.00 0.00 C ATOM 1105 CG HIS A 68 -11.227 -8.617 0.022 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -10.388 -9.702 -0.128 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -11.980 -8.876 1.118 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -10.625 -10.576 0.834 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -11.585 -10.099 1.603 1.00 0.00 N ATOM 0 H HIS A 68 -12.196 -5.427 0.538 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.503 -6.541 0.032 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.249 -7.156 -1.124 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.766 -7.740 -1.852 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.748 -8.240 1.533 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.119 -11.521 0.968 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -11.971 -10.563 2.425 1.00 0.00 H new ATOM 1118 N LEU A 69 -9.096 -5.375 -2.167 1.00 0.00 N ATOM 1119 CA LEU A 69 -8.720 -4.499 -3.277 1.00 0.00 C ATOM 1120 C LEU A 69 -8.384 -5.335 -4.518 1.00 0.00 C ATOM 1121 O LEU A 69 -7.388 -6.069 -4.527 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.522 -3.623 -2.866 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.323 -2.325 -3.664 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -8.211 -1.210 -3.125 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -5.861 -1.908 -3.629 1.00 0.00 C ATOM 0 H LEU A 69 -8.417 -6.110 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.559 -3.847 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.633 -3.364 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.615 -4.221 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.611 -2.511 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.050 -0.303 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.256 -1.509 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.962 -1.019 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.732 -0.987 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.554 -1.743 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.248 -2.695 -4.068 1.00 0.00 H new ATOM 1137 N VAL A 70 -9.229 -5.234 -5.558 1.00 0.00 N ATOM 1138 CA VAL A 70 -9.023 -6.004 -6.795 1.00 0.00 C ATOM 1139 C VAL A 70 -9.137 -5.125 -8.047 1.00 0.00 C ATOM 1140 O VAL A 70 -10.222 -4.701 -8.444 1.00 0.00 O ATOM 1141 CB VAL A 70 -10.003 -7.207 -6.937 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -9.442 -8.261 -7.890 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -10.323 -7.846 -5.590 1.00 0.00 C ATOM 0 H VAL A 70 -10.053 -4.633 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.008 -6.394 -6.715 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.930 -6.810 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.146 -9.090 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.289 -7.817 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.491 -8.629 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.009 -8.680 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.403 -8.209 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.786 -7.106 -4.937 1.00 0.00 H new ATOM 1153 N LEU A 71 -7.998 -4.617 -8.459 1.00 0.00 N ATOM 1154 CA LEU A 71 -7.863 -3.865 -9.706 1.00 0.00 C ATOM 1155 C LEU A 71 -6.434 -3.908 -10.254 1.00 0.00 C ATOM 1156 O LEU A 71 -5.516 -4.376 -9.574 1.00 0.00 O ATOM 1157 CB LEU A 71 -8.511 -2.494 -9.723 1.00 0.00 C ATOM 1158 CG LEU A 71 -9.663 -2.297 -10.732 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -10.390 -0.986 -10.461 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -9.156 -2.307 -12.173 1.00 0.00 C ATOM 0 H LEU A 71 -7.125 -4.710 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.479 -4.404 -10.426 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.891 -2.282 -8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.740 -1.753 -9.934 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.353 -3.131 -10.604 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.199 -0.863 -11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.802 -1.000 -9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.690 -0.156 -10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.995 -2.166 -12.855 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.436 -1.500 -12.311 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.675 -3.262 -12.383 1.00 0.00 H new ATOM 1172 N ALA A 72 -6.272 -3.421 -11.491 1.00 0.00 N ATOM 1173 CA ALA A 72 -4.996 -3.423 -12.221 1.00 0.00 C ATOM 1174 C ALA A 72 -3.827 -2.880 -11.381 1.00 0.00 C ATOM 1175 O ALA A 72 -3.831 -1.712 -10.970 1.00 0.00 O ATOM 1176 CB ALA A 72 -5.168 -2.577 -13.473 1.00 0.00 C ATOM 0 H ALA A 72 -7.038 -3.007 -12.023 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.745 -4.454 -12.469 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.233 -2.562 -14.033 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.957 -3.002 -14.094 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.438 -1.559 -13.190 1.00 0.00 H new ATOM 1182 N LEU A 73 -2.840 -3.747 -11.124 1.00 0.00 N ATOM 1183 CA LEU A 73 -1.652 -3.380 -10.338 1.00 0.00 C ATOM 1184 C LEU A 73 -0.372 -3.994 -10.923 1.00 0.00 C ATOM 1185 O LEU A 73 0.731 -3.523 -10.633 1.00 0.00 O ATOM 1186 CB LEU A 73 -1.821 -3.786 -8.856 1.00 0.00 C ATOM 1187 CG LEU A 73 -2.199 -5.251 -8.584 1.00 0.00 C ATOM 1188 CD1 LEU A 73 -0.956 -6.081 -8.297 1.00 0.00 C ATOM 1189 CD2 LEU A 73 -3.182 -5.342 -7.427 1.00 0.00 C ATOM 0 H LEU A 73 -2.840 -4.713 -11.450 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.553 -2.296 -10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.887 -3.572 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.586 -3.149 -8.413 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.680 -5.653 -9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.245 -7.115 -8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.287 -6.043 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.445 -5.680 -7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.438 -6.386 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.728 -4.922 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.085 -4.783 -7.672 1.00 0.00 H new ATOM 1201 N ARG A 74 -0.533 -5.043 -11.743 1.00 0.00 N ATOM 1202 CA ARG A 74 0.600 -5.730 -12.374 1.00 0.00 C ATOM 1203 C ARG A 74 0.912 -5.130 -13.744 1.00 0.00 C ATOM 1204 O ARG A 74 0.008 -4.674 -14.449 1.00 0.00 O ATOM 1205 CB ARG A 74 0.310 -7.228 -12.521 1.00 0.00 C ATOM 1206 CG ARG A 74 0.335 -7.995 -11.207 1.00 0.00 C ATOM 1207 CD ARG A 74 0.162 -9.489 -11.431 1.00 0.00 C ATOM 1208 NE ARG A 74 0.185 -10.239 -10.170 1.00 0.00 N ATOM 1209 CZ ARG A 74 0.058 -11.571 -10.072 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -0.104 -12.330 -11.155 1.00 0.00 N1+ ATOM 1211 NH2 ARG A 74 0.093 -12.145 -8.877 1.00 0.00 N ATOM 0 H ARG A 74 -1.443 -5.435 -11.985 1.00 0.00 H new ATOM 0 HA ARG A 74 1.468 -5.596 -11.729 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.668 -7.354 -12.985 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.043 -7.665 -13.199 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.279 -7.810 -10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.459 -7.629 -10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.782 -9.672 -11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.956 -9.852 -12.084 1.00 0.00 H new ATOM 0 HE ARG A 74 0.306 -9.710 -9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.133 -11.900 -12.079 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.199 -13.341 -11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.216 -11.574 -8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.003 -13.157 -8.794 1.00 0.00 H new ATOM 1225 N GLY A 75 2.201 -5.139 -14.103 1.00 0.00 N ATOM 1226 CA GLY A 75 2.635 -4.599 -15.383 1.00 0.00 C ATOM 1227 C GLY A 75 4.116 -4.273 -15.401 1.00 0.00 C ATOM 1228 O GLY A 75 4.495 -3.100 -15.474 1.00 0.00 O ATOM 0 H GLY A 75 2.953 -5.513 -13.524 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.415 -5.319 -16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.065 -3.697 -15.606 1.00 0.00 H new ATOM 1232 N GLY A 76 4.947 -5.318 -15.336 1.00 0.00 N ATOM 1233 CA GLY A 76 6.392 -5.141 -15.345 1.00 0.00 C ATOM 1234 C GLY A 76 7.120 -6.281 -14.659 1.00 0.00 C ATOM 1235 O GLY A 76 7.345 -6.188 -13.434 1.00 0.00 O ATOM 0 H GLY A 76 4.640 -6.289 -15.277 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.739 -5.060 -16.375 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.643 -4.203 -14.850 1.00 0.00 H new TER 1239 GLY A 76 ATOM 1240 N GLY B 77 22.955 -5.586 -11.308 1.00 0.00 N ATOM 1241 CA GLY B 77 22.369 -4.222 -11.417 1.00 0.00 C ATOM 1242 C GLY B 77 23.245 -3.161 -10.780 1.00 0.00 C ATOM 1243 O GLY B 77 24.472 -3.296 -10.760 1.00 0.00 O ATOM 0 HA2 GLY B 77 22.216 -3.979 -12.468 1.00 0.00 H new ATOM 0 HA3 GLY B 77 21.388 -4.212 -10.941 1.00 0.00 H new ATOM 1249 N GLY B 78 22.605 -2.109 -10.261 1.00 0.00 N ATOM 1250 CA GLY B 78 23.330 -1.021 -9.618 1.00 0.00 C ATOM 1251 C GLY B 78 22.586 -0.452 -8.427 1.00 0.00 C ATOM 1252 O GLY B 78 21.835 -1.170 -7.759 1.00 0.00 O ATOM 0 H GLY B 78 21.592 -1.992 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY B 78 24.307 -1.381 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY B 78 23.507 -0.228 -10.344 1.00 0.00 H new ATOM 1256 N ILE B 79 22.800 0.841 -8.164 1.00 0.00 N ATOM 1257 CA ILE B 79 22.150 1.531 -7.043 1.00 0.00 C ATOM 1258 C ILE B 79 21.720 2.946 -7.437 1.00 0.00 C ATOM 1259 O ILE B 79 22.538 3.741 -7.909 1.00 0.00 O ATOM 1260 CB ILE B 79 23.048 1.578 -5.765 1.00 0.00 C ATOM 1261 CG1 ILE B 79 24.491 2.027 -6.073 1.00 0.00 C ATOM 1262 CG2 ILE B 79 23.063 0.218 -5.083 1.00 0.00 C ATOM 1263 CD1 ILE B 79 24.730 3.505 -5.844 1.00 0.00 C ATOM 0 H ILE B 79 23.421 1.434 -8.714 1.00 0.00 H new ATOM 0 HA ILE B 79 21.263 0.947 -6.798 1.00 0.00 H new ATOM 0 HB ILE B 79 22.613 2.321 -5.097 1.00 0.00 H new ATOM 0 HG12 ILE B 79 25.180 1.456 -5.451 1.00 0.00 H new ATOM 0 HG13 ILE B 79 24.723 1.787 -7.110 1.00 0.00 H new ATOM 0 HG21 ILE B 79 23.692 0.264 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE B 79 22.048 -0.056 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE B 79 23.460 -0.529 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE B 79 25.766 3.747 -6.081 1.00 0.00 H new ATOM 0 HD12 ILE B 79 24.066 4.085 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE B 79 24.530 3.748 -4.800 1.00 0.00 H new ATOM 1275 N ARG B 80 20.426 3.240 -7.251 1.00 0.00 N ATOM 1276 CA ARG B 80 19.866 4.557 -7.586 1.00 0.00 C ATOM 1277 C ARG B 80 18.916 5.052 -6.492 1.00 0.00 C ATOM 1278 O ARG B 80 18.974 6.221 -6.100 1.00 0.00 O ATOM 1279 CB ARG B 80 19.122 4.512 -8.934 1.00 0.00 C ATOM 1280 CG ARG B 80 20.023 4.278 -10.147 1.00 0.00 C ATOM 1281 CD ARG B 80 20.178 2.795 -10.466 1.00 0.00 C ATOM 1282 NE ARG B 80 18.959 2.218 -11.049 1.00 0.00 N ATOM 1283 CZ ARG B 80 18.217 1.257 -10.478 1.00 0.00 C ATOM 1284 NH1 ARG B 80 18.548 0.739 -9.295 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 17.134 0.811 -11.100 1.00 0.00 N ATOM 0 H ARG B 80 19.746 2.582 -6.870 1.00 0.00 H new ATOM 0 HA ARG B 80 20.701 5.253 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG B 80 18.373 3.721 -8.895 1.00 0.00 H new ATOM 0 HB3 ARG B 80 18.586 5.451 -9.071 1.00 0.00 H new ATOM 0 HG2 ARG B 80 19.607 4.793 -11.013 1.00 0.00 H new ATOM 0 HG3 ARG B 80 21.005 4.713 -9.959 1.00 0.00 H new ATOM 0 HD2 ARG B 80 21.008 2.660 -11.159 1.00 0.00 H new ATOM 0 HD3 ARG B 80 20.433 2.255 -9.554 1.00 0.00 H new ATOM 0 HE ARG B 80 18.654 2.574 -11.955 1.00 0.00 H new ATOM 0 HH11 ARG B 80 19.379 1.073 -8.807 1.00 0.00 H new ATOM 0 HH12 ARG B 80 17.970 0.009 -8.878 1.00 0.00 H new ATOM 0 HH21 ARG B 80 16.870 1.198 -12.006 1.00 0.00 H new ATOM 0 HH22 ARG B 80 16.565 0.081 -10.672 1.00 0.00 H new ATOM 1299 N LYS B 81 18.047 4.154 -6.009 1.00 0.00 N ATOM 1300 CA LYS B 81 17.067 4.491 -4.967 1.00 0.00 C ATOM 1301 C LYS B 81 17.553 4.078 -3.567 1.00 0.00 C ATOM 1302 O LYS B 81 16.800 4.163 -2.593 1.00 0.00 O ATOM 1303 CB LYS B 81 15.718 3.826 -5.280 1.00 0.00 C ATOM 1304 CG LYS B 81 15.026 4.380 -6.519 1.00 0.00 C ATOM 1305 CD LYS B 81 13.715 3.657 -6.797 1.00 0.00 C ATOM 1306 CE LYS B 81 12.995 4.223 -8.017 1.00 0.00 C ATOM 1307 NZ LYS B 81 12.518 5.620 -7.798 1.00 0.00 N1+ ATOM 0 H LYS B 81 18.003 3.185 -6.325 1.00 0.00 H new ATOM 0 HA LYS B 81 16.945 5.574 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS B 81 15.874 2.755 -5.412 1.00 0.00 H new ATOM 0 HB3 LYS B 81 15.057 3.948 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS B 81 14.834 5.444 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS B 81 15.687 4.282 -7.380 1.00 0.00 H new ATOM 0 HD2 LYS B 81 13.912 2.596 -6.953 1.00 0.00 H new ATOM 0 HD3 LYS B 81 13.066 3.736 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS B 81 13.667 4.202 -8.875 1.00 0.00 H new ATOM 0 HE3 LYS B 81 12.145 3.586 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 11.949 5.924 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 11.937 5.657 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 13.336 6.253 -7.691 1.00 0.00 H new ATOM 1321 N THR B 82 18.830 3.661 -3.481 1.00 0.00 N ATOM 1322 CA THR B 82 19.473 3.223 -2.220 1.00 0.00 C ATOM 1323 C THR B 82 19.354 4.268 -1.087 1.00 0.00 C ATOM 1324 O THR B 82 19.156 3.915 0.074 1.00 0.00 O ATOM 1325 CB THR B 82 20.971 2.838 -2.446 1.00 0.00 C ATOM 1326 OG1 THR B 82 21.576 2.436 -1.209 1.00 0.00 O ATOM 1327 CG2 THR B 82 21.789 3.977 -3.065 1.00 0.00 C ATOM 0 H THR B 82 19.452 3.617 -4.288 1.00 0.00 H new ATOM 0 HA THR B 82 18.926 2.336 -1.899 1.00 0.00 H new ATOM 0 HB THR B 82 20.974 2.008 -3.152 1.00 0.00 H new ATOM 0 HG1 THR B 82 22.513 2.196 -1.366 1.00 0.00 H new ATOM 0 HG21 THR B 82 22.821 3.653 -3.199 1.00 0.00 H new ATOM 0 HG22 THR B 82 21.365 4.246 -4.032 1.00 0.00 H new ATOM 0 HG23 THR B 82 21.764 4.844 -2.404 1.00 0.00 H new ATOM 1335 N ARG B 83 19.509 5.538 -1.452 1.00 0.00 N ATOM 1336 CA ARG B 83 19.445 6.674 -0.521 1.00 0.00 C ATOM 1337 C ARG B 83 18.050 6.905 0.087 1.00 0.00 C ATOM 1338 O ARG B 83 17.940 7.221 1.271 1.00 0.00 O ATOM 1339 CB ARG B 83 19.911 7.955 -1.224 1.00 0.00 C ATOM 1340 CG ARG B 83 21.416 8.029 -1.438 1.00 0.00 C ATOM 1341 CD ARG B 83 21.818 9.328 -2.117 1.00 0.00 C ATOM 1342 NE ARG B 83 23.268 9.415 -2.325 1.00 0.00 N ATOM 1343 CZ ARG B 83 23.904 10.483 -2.826 1.00 0.00 C ATOM 1344 NH1 ARG B 83 23.237 11.578 -3.184 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 25.222 10.453 -2.969 1.00 0.00 N ATOM 0 H ARG B 83 19.686 5.817 -2.417 1.00 0.00 H new ATOM 0 HA ARG B 83 20.109 6.422 0.306 1.00 0.00 H new ATOM 0 HB2 ARG B 83 19.412 8.029 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG B 83 19.595 8.816 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG B 83 21.926 7.946 -0.478 1.00 0.00 H new ATOM 0 HG3 ARG B 83 21.740 7.184 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG B 83 21.309 9.407 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG B 83 21.488 10.171 -1.510 1.00 0.00 H new ATOM 0 HE ARG B 83 23.832 8.604 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG B 83 22.223 11.615 -3.079 1.00 0.00 H new ATOM 0 HH12 ARG B 83 23.740 12.380 -3.563 1.00 0.00 H new ATOM 0 HH21 ARG B 83 25.746 9.620 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG B 83 25.712 11.262 -3.350 1.00 0.00 H new ATOM 1359 N GLU B 84 16.994 6.718 -0.725 1.00 0.00 N ATOM 1360 CA GLU B 84 15.610 7.003 -0.327 1.00 0.00 C ATOM 1361 C GLU B 84 15.097 5.966 0.661 1.00 0.00 C ATOM 1362 O GLU B 84 14.576 6.295 1.742 1.00 0.00 O ATOM 1363 CB GLU B 84 14.728 7.030 -1.583 1.00 0.00 C ATOM 1364 CG GLU B 84 14.915 8.272 -2.446 1.00 0.00 C ATOM 1365 CD GLU B 84 13.887 8.371 -3.554 1.00 0.00 C ATOM 1366 OE1 GLU B 84 14.149 7.844 -4.656 1.00 0.00 O ATOM 1367 OE2 GLU B 84 12.819 8.975 -3.321 1.00 0.00 O1- ATOM 0 H GLU B 84 17.080 6.364 -1.678 1.00 0.00 H new ATOM 0 HA GLU B 84 15.575 7.972 0.170 1.00 0.00 H new ATOM 0 HB2 GLU B 84 14.943 6.147 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU B 84 13.683 6.964 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU B 84 14.852 9.160 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU B 84 15.914 8.260 -2.882 1.00 0.00 H new ATOM 1374 N THR B 85 15.281 4.706 0.273 1.00 0.00 N ATOM 1375 CA THR B 85 14.889 3.552 1.069 1.00 0.00 C ATOM 1376 C THR B 85 15.448 3.651 2.487 1.00 0.00 C ATOM 1377 O THR B 85 14.699 3.674 3.469 1.00 0.00 O ATOM 1378 CB THR B 85 15.355 2.233 0.384 1.00 0.00 C ATOM 1379 OG1 THR B 85 15.371 1.145 1.318 1.00 0.00 O ATOM 1380 CG2 THR B 85 16.742 2.355 -0.235 1.00 0.00 C ATOM 0 H THR B 85 15.713 4.458 -0.617 1.00 0.00 H new ATOM 0 HA THR B 85 13.801 3.539 1.137 1.00 0.00 H new ATOM 0 HB THR B 85 14.634 2.038 -0.410 1.00 0.00 H new ATOM 0 HG1 THR B 85 16.283 0.794 1.396 1.00 0.00 H new ATOM 0 HG21 THR B 85 17.018 1.408 -0.699 1.00 0.00 H new ATOM 0 HG22 THR B 85 16.735 3.141 -0.990 1.00 0.00 H new ATOM 0 HG23 THR B 85 17.466 2.604 0.541 1.00 0.00 H new ATOM 1388 N GLU B 86 16.765 3.750 2.565 1.00 0.00 N ATOM 1389 CA GLU B 86 17.462 3.873 3.825 1.00 0.00 C ATOM 1390 C GLU B 86 17.040 5.130 4.599 1.00 0.00 C ATOM 1391 O GLU B 86 17.105 5.135 5.820 1.00 0.00 O ATOM 1392 CB GLU B 86 18.969 3.631 3.710 1.00 0.00 C ATOM 1393 CG GLU B 86 19.746 4.624 2.848 1.00 0.00 C ATOM 1394 CD GLU B 86 20.113 5.894 3.594 1.00 0.00 C ATOM 1395 OE1 GLU B 86 21.151 5.896 4.289 1.00 0.00 O ATOM 1396 OE2 GLU B 86 19.362 6.886 3.483 1.00 0.00 O1- ATOM 0 H GLU B 86 17.379 3.747 1.750 1.00 0.00 H new ATOM 0 HA GLU B 86 17.136 3.049 4.459 1.00 0.00 H new ATOM 0 HB2 GLU B 86 19.395 3.641 4.713 1.00 0.00 H new ATOM 0 HB3 GLU B 86 19.126 2.631 3.307 1.00 0.00 H new ATOM 0 HG2 GLU B 86 20.656 4.147 2.484 1.00 0.00 H new ATOM 0 HG3 GLU B 86 19.149 4.882 1.973 1.00 0.00 H new ATOM 1403 N ARG B 87 16.698 6.226 3.886 1.00 0.00 N ATOM 1404 CA ARG B 87 16.220 7.460 4.555 1.00 0.00 C ATOM 1405 C ARG B 87 15.123 7.112 5.590 1.00 0.00 C ATOM 1406 O ARG B 87 15.115 7.682 6.684 1.00 0.00 O ATOM 1407 CB ARG B 87 15.684 8.474 3.539 1.00 0.00 C ATOM 1408 CG ARG B 87 16.761 9.351 2.900 1.00 0.00 C ATOM 1409 CD ARG B 87 17.047 10.615 3.706 1.00 0.00 C ATOM 1410 NE ARG B 87 17.759 10.333 4.960 1.00 0.00 N ATOM 1411 CZ ARG B 87 18.168 11.266 5.833 1.00 0.00 C ATOM 1412 NH1 ARG B 87 17.947 12.560 5.611 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 18.801 10.896 6.937 1.00 0.00 N ATOM 0 H ARG B 87 16.742 6.284 2.869 1.00 0.00 H new ATOM 0 HA ARG B 87 17.067 7.915 5.068 1.00 0.00 H new ATOM 0 HB2 ARG B 87 15.154 7.937 2.752 1.00 0.00 H new ATOM 0 HB3 ARG B 87 14.955 9.116 4.033 1.00 0.00 H new ATOM 0 HG2 ARG B 87 17.680 8.774 2.799 1.00 0.00 H new ATOM 0 HG3 ARG B 87 16.447 9.630 1.894 1.00 0.00 H new ATOM 0 HD2 ARG B 87 17.640 11.301 3.101 1.00 0.00 H new ATOM 0 HD3 ARG B 87 16.107 11.119 3.931 1.00 0.00 H new ATOM 0 HE ARG B 87 17.957 9.357 5.183 1.00 0.00 H new ATOM 0 HH11 ARG B 87 17.459 12.856 4.766 1.00 0.00 H new ATOM 0 HH12 ARG B 87 18.265 13.255 6.286 1.00 0.00 H new ATOM 0 HH21 ARG B 87 18.974 9.907 7.118 1.00 0.00 H new ATOM 0 HH22 ARG B 87 19.115 11.600 7.605 1.00 0.00 H new ATOM 1427 N LEU B 88 14.192 6.177 5.240 1.00 0.00 N ATOM 1428 CA LEU B 88 13.176 5.685 6.226 1.00 0.00 C ATOM 1429 C LEU B 88 13.918 5.020 7.367 1.00 0.00 C ATOM 1430 O LEU B 88 13.672 5.237 8.555 1.00 0.00 O ATOM 1431 CB LEU B 88 12.225 4.579 5.642 1.00 0.00 C ATOM 1432 CG LEU B 88 11.597 3.585 6.702 1.00 0.00 C ATOM 1433 CD1 LEU B 88 10.545 4.256 7.572 1.00 0.00 C ATOM 1434 CD2 LEU B 88 11.016 2.301 6.070 1.00 0.00 C ATOM 0 H LEU B 88 14.121 5.758 4.313 1.00 0.00 H new ATOM 0 HA LEU B 88 12.580 6.549 6.519 1.00 0.00 H new ATOM 0 HB2 LEU B 88 11.413 5.070 5.106 1.00 0.00 H new ATOM 0 HB3 LEU B 88 12.783 3.995 4.910 1.00 0.00 H new ATOM 0 HG LEU B 88 12.434 3.289 7.334 1.00 0.00 H new ATOM 0 HD11 LEU B 88 10.145 3.533 8.282 1.00 0.00 H new ATOM 0 HD12 LEU B 88 10.997 5.086 8.115 1.00 0.00 H new ATOM 0 HD13 LEU B 88 9.738 4.631 6.943 1.00 0.00 H new ATOM 0 HD21 LEU B 88 10.602 1.665 6.853 1.00 0.00 H new ATOM 0 HD22 LEU B 88 10.229 2.567 5.365 1.00 0.00 H new ATOM 0 HD23 LEU B 88 11.806 1.764 5.546 1.00 0.00 H new ATOM 1446 N ARG B 89 14.835 4.202 6.905 1.00 0.00 N ATOM 1447 CA ARG B 89 15.688 3.348 7.705 1.00 0.00 C ATOM 1448 C ARG B 89 16.571 4.097 8.729 1.00 0.00 C ATOM 1449 O ARG B 89 16.731 3.623 9.857 1.00 0.00 O ATOM 1450 CB ARG B 89 16.497 2.516 6.709 1.00 0.00 C ATOM 1451 CG ARG B 89 17.398 1.449 7.341 1.00 0.00 C ATOM 1452 CD ARG B 89 18.841 1.923 7.411 1.00 0.00 C ATOM 1453 NE ARG B 89 19.703 0.975 8.126 1.00 0.00 N ATOM 1454 CZ ARG B 89 21.038 1.062 8.199 1.00 0.00 C ATOM 1455 NH1 ARG B 89 21.698 2.053 7.602 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 21.717 0.151 8.880 1.00 0.00 N ATOM 0 H ARG B 89 15.017 4.108 5.906 1.00 0.00 H new ATOM 0 HA ARG B 89 15.078 2.716 8.350 1.00 0.00 H new ATOM 0 HB2 ARG B 89 15.807 2.027 6.021 1.00 0.00 H new ATOM 0 HB3 ARG B 89 17.116 3.188 6.115 1.00 0.00 H new ATOM 0 HG2 ARG B 89 17.040 1.214 8.343 1.00 0.00 H new ATOM 0 HG3 ARG B 89 17.342 0.529 6.758 1.00 0.00 H new ATOM 0 HD2 ARG B 89 19.223 2.068 6.401 1.00 0.00 H new ATOM 0 HD3 ARG B 89 18.879 2.892 7.908 1.00 0.00 H new ATOM 0 HE ARG B 89 19.253 0.193 8.602 1.00 0.00 H new ATOM 0 HH11 ARG B 89 21.187 2.763 7.078 1.00 0.00 H new ATOM 0 HH12 ARG B 89 22.715 2.102 7.669 1.00 0.00 H new ATOM 0 HH21 ARG B 89 21.223 -0.611 9.345 1.00 0.00 H new ATOM 0 HH22 ARG B 89 22.733 0.211 8.939 1.00 0.00 H new ATOM 1470 N ARG B 90 17.136 5.249 8.342 1.00 0.00 N ATOM 1471 CA ARG B 90 18.028 6.015 9.228 1.00 0.00 C ATOM 1472 C ARG B 90 17.337 6.495 10.520 1.00 0.00 C ATOM 1473 O ARG B 90 17.732 6.069 11.609 1.00 0.00 O ATOM 1474 CB ARG B 90 18.649 7.199 8.466 1.00 0.00 C ATOM 1475 CG ARG B 90 20.117 7.449 8.803 1.00 0.00 C ATOM 1476 CD ARG B 90 21.046 6.496 8.054 1.00 0.00 C ATOM 1477 NE ARG B 90 22.362 6.396 8.692 1.00 0.00 N ATOM 1478 CZ ARG B 90 22.808 5.321 9.362 1.00 0.00 C ATOM 1479 NH1 ARG B 90 22.056 4.228 9.501 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 24.021 5.343 9.898 1.00 0.00 N ATOM 0 H ARG B 90 16.993 5.671 7.425 1.00 0.00 H new ATOM 0 HA ARG B 90 18.819 5.334 9.543 1.00 0.00 H new ATOM 0 HB2 ARG B 90 18.558 7.017 7.395 1.00 0.00 H new ATOM 0 HB3 ARG B 90 18.077 8.100 8.686 1.00 0.00 H new ATOM 0 HG2 ARG B 90 20.376 8.478 8.554 1.00 0.00 H new ATOM 0 HG3 ARG B 90 20.267 7.333 9.876 1.00 0.00 H new ATOM 0 HD2 ARG B 90 20.590 5.507 8.007 1.00 0.00 H new ATOM 0 HD3 ARG B 90 21.166 6.840 7.027 1.00 0.00 H new ATOM 0 HE ARG B 90 22.984 7.201 8.622 1.00 0.00 H new ATOM 0 HH11 ARG B 90 21.121 4.197 9.094 1.00 0.00 H new ATOM 0 HH12 ARG B 90 22.416 3.423 10.014 1.00 0.00 H new ATOM 0 HH21 ARG B 90 24.607 6.172 9.800 1.00 0.00 H new ATOM 0 HH22 ARG B 90 24.368 4.531 10.409 1.00 0.00 H new ATOM 1494 N GLN B 91 16.304 7.365 10.404 1.00 0.00 N ATOM 1495 CA GLN B 91 15.569 7.889 11.586 1.00 0.00 C ATOM 1496 C GLN B 91 14.466 8.879 11.196 1.00 0.00 C ATOM 1497 O GLN B 91 14.691 9.782 10.387 1.00 0.00 O ATOM 1498 CB GLN B 91 16.513 8.567 12.618 1.00 0.00 C ATOM 1499 CG GLN B 91 17.497 9.584 12.032 1.00 0.00 C ATOM 1500 CD GLN B 91 18.377 10.218 13.091 1.00 0.00 C ATOM 1501 OE1 GLN B 91 18.032 11.251 13.664 1.00 0.00 O ATOM 1502 NE2 GLN B 91 19.523 9.601 13.355 1.00 0.00 N ATOM 0 H GLN B 91 15.961 7.718 9.511 1.00 0.00 H new ATOM 0 HA GLN B 91 15.111 7.014 12.048 1.00 0.00 H new ATOM 0 HB2 GLN B 91 15.903 9.067 13.370 1.00 0.00 H new ATOM 0 HB3 GLN B 91 17.080 7.791 13.132 1.00 0.00 H new ATOM 0 HG2 GLN B 91 18.125 9.091 11.290 1.00 0.00 H new ATOM 0 HG3 GLN B 91 16.941 10.364 11.512 1.00 0.00 H new ATOM 0 HE21 GLN B 91 19.769 8.746 12.855 1.00 0.00 H new ATOM 0 HE22 GLN B 91 20.157 9.982 14.057 1.00 0.00 H new ATOM 1511 N LEU B 92 13.275 8.699 11.813 1.00 0.00 N ATOM 1512 CA LEU B 92 12.078 9.564 11.616 1.00 0.00 C ATOM 1513 C LEU B 92 11.481 9.503 10.200 1.00 0.00 C ATOM 1514 O LEU B 92 10.264 9.370 10.048 1.00 0.00 O ATOM 1515 CB LEU B 92 12.374 11.030 11.988 1.00 0.00 C ATOM 1516 CG LEU B 92 12.678 11.279 13.468 1.00 0.00 C ATOM 1517 CD1 LEU B 92 14.085 11.831 13.638 1.00 0.00 C ATOM 1518 CD2 LEU B 92 11.654 12.230 14.068 1.00 0.00 C ATOM 0 H LEU B 92 13.112 7.938 12.473 1.00 0.00 H new ATOM 0 HA LEU B 92 11.327 9.155 12.292 1.00 0.00 H new ATOM 0 HB2 LEU B 92 13.223 11.374 11.397 1.00 0.00 H new ATOM 0 HB3 LEU B 92 11.518 11.641 11.702 1.00 0.00 H new ATOM 0 HG LEU B 92 12.617 10.328 13.998 1.00 0.00 H new ATOM 0 HD11 LEU B 92 14.283 12.002 14.696 1.00 0.00 H new ATOM 0 HD12 LEU B 92 14.807 11.115 13.244 1.00 0.00 H new ATOM 0 HD13 LEU B 92 14.175 12.772 13.095 1.00 0.00 H new ATOM 0 HD21 LEU B 92 11.885 12.396 15.120 1.00 0.00 H new ATOM 0 HD22 LEU B 92 11.684 13.180 13.535 1.00 0.00 H new ATOM 0 HD23 LEU B 92 10.658 11.796 13.979 1.00 0.00 H new ATOM 1530 N LEU B 93 12.340 9.601 9.177 1.00 0.00 N ATOM 1531 CA LEU B 93 11.910 9.584 7.770 1.00 0.00 C ATOM 1532 C LEU B 93 11.351 8.220 7.342 1.00 0.00 C ATOM 1533 O LEU B 93 11.484 7.230 8.067 1.00 0.00 O ATOM 1534 CB LEU B 93 13.083 9.993 6.871 1.00 0.00 C ATOM 1535 CG LEU B 93 13.443 11.480 6.920 1.00 0.00 C ATOM 1536 CD1 LEU B 93 14.951 11.665 6.913 1.00 0.00 C ATOM 1537 CD2 LEU B 93 12.809 12.221 5.752 1.00 0.00 C ATOM 0 H LEU B 93 13.348 9.694 9.299 1.00 0.00 H new ATOM 0 HA LEU B 93 11.096 10.301 7.663 1.00 0.00 H new ATOM 0 HB2 LEU B 93 13.960 9.412 7.156 1.00 0.00 H new ATOM 0 HB3 LEU B 93 12.844 9.725 5.842 1.00 0.00 H new ATOM 0 HG LEU B 93 13.050 11.898 7.847 1.00 0.00 H new ATOM 0 HD11 LEU B 93 15.187 12.729 6.948 1.00 0.00 H new ATOM 0 HD12 LEU B 93 15.383 11.168 7.782 1.00 0.00 H new ATOM 0 HD13 LEU B 93 15.367 11.231 6.004 1.00 0.00 H new ATOM 0 HD21 LEU B 93 13.076 13.277 5.803 1.00 0.00 H new ATOM 0 HD22 LEU B 93 13.172 11.800 4.814 1.00 0.00 H new ATOM 0 HD23 LEU B 93 11.725 12.118 5.801 1.00 0.00 H new ATOM 1549 N GLU B 94 10.702 8.200 6.164 1.00 0.00 N ATOM 1550 CA GLU B 94 10.090 6.987 5.591 1.00 0.00 C ATOM 1551 C GLU B 94 9.980 7.135 4.062 1.00 0.00 C ATOM 1552 O GLU B 94 8.860 7.232 3.538 1.00 0.00 O ATOM 1553 CB GLU B 94 8.689 6.732 6.231 1.00 0.00 C ATOM 1554 CG GLU B 94 7.733 7.929 6.224 1.00 0.00 C ATOM 1555 CD GLU B 94 6.383 7.600 6.829 1.00 0.00 C ATOM 1556 OE1 GLU B 94 6.239 7.731 8.064 1.00 0.00 O ATOM 1557 OE2 GLU B 94 5.469 7.213 6.071 1.00 0.00 O1- ATOM 0 H GLU B 94 10.587 9.028 5.580 1.00 0.00 H new ATOM 0 HA GLU B 94 10.721 6.126 5.812 1.00 0.00 H new ATOM 0 HB2 GLU B 94 8.213 5.906 5.703 1.00 0.00 H new ATOM 0 HB3 GLU B 94 8.833 6.410 7.262 1.00 0.00 H new ATOM 0 HG2 GLU B 94 8.184 8.753 6.777 1.00 0.00 H new ATOM 0 HG3 GLU B 94 7.594 8.272 5.199 1.00 0.00 H new ATOM 1564 N VAL B 95 11.113 7.160 3.308 1.00 0.00 N ATOM 1565 CA VAL B 95 10.931 7.452 1.868 1.00 0.00 C ATOM 1566 C VAL B 95 10.477 6.272 0.926 1.00 0.00 C ATOM 1567 O VAL B 95 9.260 6.117 0.744 1.00 0.00 O ATOM 1568 CB VAL B 95 12.238 8.108 1.338 1.00 0.00 C ATOM 1569 CG1 VAL B 95 12.086 8.556 -0.114 1.00 0.00 C ATOM 1570 CG2 VAL B 95 12.624 9.312 2.193 1.00 0.00 C ATOM 0 H VAL B 95 12.067 6.999 3.632 1.00 0.00 H new ATOM 0 HA VAL B 95 10.071 8.120 1.824 1.00 0.00 H new ATOM 0 HB VAL B 95 13.023 7.354 1.395 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.017 9.010 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL B 95 11.854 7.693 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL B 95 11.279 9.285 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.541 9.755 1.804 1.00 0.00 H new ATOM 0 HG22 VAL B 95 11.823 10.051 2.164 1.00 0.00 H new ATOM 0 HG23 VAL B 95 12.784 8.991 3.222 1.00 0.00 H new ATOM 1580 N PHE B 96 11.412 5.379 0.431 1.00 0.00 N ATOM 1581 CA PHE B 96 11.026 4.227 -0.432 1.00 0.00 C ATOM 1582 C PHE B 96 10.644 3.079 0.414 1.00 0.00 C ATOM 1583 O PHE B 96 9.513 2.584 0.400 1.00 0.00 O ATOM 1584 CB PHE B 96 12.080 3.808 -1.463 1.00 0.00 C ATOM 1585 CG PHE B 96 11.626 4.061 -2.875 1.00 0.00 C ATOM 1586 CD1 PHE B 96 10.832 3.132 -3.536 1.00 0.00 C ATOM 1587 CD2 PHE B 96 11.966 5.232 -3.534 1.00 0.00 C ATOM 1588 CE1 PHE B 96 10.390 3.366 -4.823 1.00 0.00 C ATOM 1589 CE2 PHE B 96 11.524 5.472 -4.822 1.00 0.00 C ATOM 1590 CZ PHE B 96 10.734 4.537 -5.466 1.00 0.00 C ATOM 0 H PHE B 96 12.413 5.445 0.618 1.00 0.00 H new ATOM 0 HA PHE B 96 10.177 4.570 -1.024 1.00 0.00 H new ATOM 0 HB2 PHE B 96 13.005 4.354 -1.277 1.00 0.00 H new ATOM 0 HB3 PHE B 96 12.305 2.749 -1.340 1.00 0.00 H new ATOM 0 HD1 PHE B 96 10.557 2.215 -3.037 1.00 0.00 H new ATOM 0 HD2 PHE B 96 12.583 5.965 -3.036 1.00 0.00 H new ATOM 0 HE1 PHE B 96 9.776 2.633 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE B 96 11.795 6.389 -5.325 1.00 0.00 H new ATOM 0 HZ PHE B 96 10.387 4.724 -6.471 1.00 0.00 H new ATOM 1600 N TRP B 97 11.684 2.657 1.145 1.00 0.00 N ATOM 1601 CA TRP B 97 11.614 1.634 2.124 1.00 0.00 C ATOM 1602 C TRP B 97 10.505 2.107 3.067 1.00 0.00 C ATOM 1603 O TRP B 97 9.727 1.333 3.570 1.00 0.00 O ATOM 1604 CB TRP B 97 13.039 1.430 2.730 1.00 0.00 C ATOM 1605 CG TRP B 97 13.214 0.225 3.635 1.00 0.00 C ATOM 1606 CD1 TRP B 97 13.247 -1.063 3.230 1.00 0.00 C ATOM 1607 CD2 TRP B 97 13.436 0.178 5.062 1.00 0.00 C ATOM 1608 NE1 TRP B 97 13.371 -1.910 4.297 1.00 0.00 N ATOM 1609 CE2 TRP B 97 13.499 -1.177 5.428 1.00 0.00 C ATOM 1610 CE3 TRP B 97 13.554 1.127 6.069 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 13.668 -1.594 6.740 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 13.727 0.707 7.377 1.00 0.00 C ATOM 1613 CH2 TRP B 97 13.776 -0.643 7.700 1.00 0.00 C ATOM 0 H TRP B 97 12.619 3.051 1.046 1.00 0.00 H new ATOM 0 HA TRP B 97 11.351 0.635 1.776 1.00 0.00 H new ATOM 0 HB2 TRP B 97 13.752 1.349 1.910 1.00 0.00 H new ATOM 0 HB3 TRP B 97 13.303 2.324 3.295 1.00 0.00 H new ATOM 0 HD1 TRP B 97 13.184 -1.382 2.200 1.00 0.00 H new ATOM 0 HE1 TRP B 97 13.368 -2.929 4.248 1.00 0.00 H new ATOM 0 HE3 TRP B 97 13.511 2.180 5.835 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 13.712 -2.644 6.989 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 13.826 1.443 8.161 1.00 0.00 H new ATOM 0 HH2 TRP B 97 13.902 -0.939 8.731 1.00 0.00 H new ATOM 1624 N GLY B 98 10.451 3.439 3.258 1.00 0.00 N ATOM 1625 CA GLY B 98 9.430 4.090 4.074 1.00 0.00 C ATOM 1626 C GLY B 98 7.990 3.848 3.671 1.00 0.00 C ATOM 1627 O GLY B 98 7.515 2.710 3.709 1.00 0.00 O ATOM 0 H GLY B 98 11.121 4.089 2.846 1.00 0.00 H new ATOM 0 HA2 GLY B 98 9.556 3.761 5.105 1.00 0.00 H new ATOM 0 HA3 GLY B 98 9.613 5.164 4.058 1.00 0.00 H new ATOM 1631 N GLN B 99 7.315 4.942 3.253 1.00 0.00 N ATOM 1632 CA GLN B 99 5.866 4.957 2.904 1.00 0.00 C ATOM 1633 C GLN B 99 5.029 3.899 3.688 1.00 0.00 C ATOM 1634 O GLN B 99 4.138 3.242 3.139 1.00 0.00 O ATOM 1635 CB GLN B 99 5.678 4.829 1.384 1.00 0.00 C ATOM 1636 CG GLN B 99 6.171 6.037 0.588 1.00 0.00 C ATOM 1637 CD GLN B 99 5.213 7.215 0.632 1.00 0.00 C ATOM 1638 OE1 GLN B 99 4.348 7.358 -0.232 1.00 0.00 O ATOM 1639 NE2 GLN B 99 5.364 8.065 1.641 1.00 0.00 N ATOM 0 H GLN B 99 7.761 5.853 3.145 1.00 0.00 H new ATOM 0 HA GLN B 99 5.473 5.923 3.220 1.00 0.00 H new ATOM 0 HB2 GLN B 99 6.205 3.940 1.038 1.00 0.00 H new ATOM 0 HB3 GLN B 99 4.620 4.675 1.172 1.00 0.00 H new ATOM 0 HG2 GLN B 99 7.140 6.350 0.978 1.00 0.00 H new ATOM 0 HG3 GLN B 99 6.326 5.741 -0.450 1.00 0.00 H new ATOM 0 HE21 GLN B 99 6.095 7.908 2.335 1.00 0.00 H new ATOM 0 HE22 GLN B 99 4.749 8.875 1.722 1.00 0.00 H new ATOM 1648 N ASP B 100 5.343 3.780 5.002 1.00 0.00 N ATOM 1649 CA ASP B 100 4.695 2.851 5.967 1.00 0.00 C ATOM 1650 C ASP B 100 4.737 1.360 5.551 1.00 0.00 C ATOM 1651 O ASP B 100 5.558 0.602 6.071 1.00 0.00 O ATOM 1652 CB ASP B 100 3.260 3.306 6.292 1.00 0.00 C ATOM 1653 CG ASP B 100 3.248 4.518 7.205 1.00 0.00 C ATOM 1654 OD1 ASP B 100 3.418 5.647 6.697 1.00 0.00 O1- ATOM 1655 OD2 ASP B 100 3.083 4.337 8.431 1.00 0.00 O ATOM 0 H ASP B 100 6.075 4.343 5.434 1.00 0.00 H new ATOM 0 HA ASP B 100 5.297 2.906 6.874 1.00 0.00 H new ATOM 0 HB2 ASP B 100 2.735 3.543 5.367 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.718 2.488 6.766 1.00 0.00 H new ATOM 1660 N HIS B 101 3.852 0.950 4.627 1.00 0.00 N ATOM 1661 CA HIS B 101 3.763 -0.448 4.146 1.00 0.00 C ATOM 1662 C HIS B 101 4.947 -0.840 3.256 1.00 0.00 C ATOM 1663 O HIS B 101 5.439 -1.970 3.307 1.00 0.00 O ATOM 1664 CB HIS B 101 2.445 -0.685 3.412 1.00 0.00 C ATOM 1665 CG HIS B 101 1.777 -1.955 3.833 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.461 -2.230 5.148 1.00 0.00 N ATOM 1667 CD2 HIS B 101 1.392 -3.038 3.120 1.00 0.00 C ATOM 1668 CE1 HIS B 101 0.915 -3.426 5.225 1.00 0.00 C ATOM 1669 NE2 HIS B 101 0.860 -3.938 4.009 1.00 0.00 N ATOM 0 H HIS B 101 3.176 1.575 4.189 1.00 0.00 H new ATOM 0 HA HIS B 101 3.799 -1.086 5.029 1.00 0.00 H new ATOM 0 HB2 HIS B 101 1.774 0.154 3.597 1.00 0.00 H new ATOM 0 HB3 HIS B 101 2.631 -0.714 2.338 1.00 0.00 H new ATOM 0 HD2 HIS B 101 1.486 -3.170 2.052 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.571 -3.906 6.129 1.00 0.00 H new ATOM 0 HE2 HIS B 101 0.483 -4.855 3.769 1.00 0.00 H new ATOM 1678 N LYS B 102 5.371 0.125 2.448 1.00 0.00 N ATOM 1679 CA LYS B 102 6.471 0.007 1.477 1.00 0.00 C ATOM 1680 C LYS B 102 7.767 -0.627 2.034 1.00 0.00 C ATOM 1681 O LYS B 102 8.468 -1.305 1.301 1.00 0.00 O ATOM 1682 CB LYS B 102 6.765 1.367 0.843 1.00 0.00 C ATOM 1683 CG LYS B 102 5.720 1.778 -0.195 1.00 0.00 C ATOM 1684 CD LYS B 102 6.295 2.687 -1.274 1.00 0.00 C ATOM 1685 CE LYS B 102 5.204 3.531 -1.913 1.00 0.00 C ATOM 1686 NZ LYS B 102 5.728 4.402 -3.000 1.00 0.00 N1+ ATOM 0 H LYS B 102 4.945 1.052 2.446 1.00 0.00 H new ATOM 0 HA LYS B 102 6.117 -0.693 0.720 1.00 0.00 H new ATOM 0 HB2 LYS B 102 6.810 2.125 1.625 1.00 0.00 H new ATOM 0 HB3 LYS B 102 7.747 1.337 0.371 1.00 0.00 H new ATOM 0 HG2 LYS B 102 5.304 0.884 -0.661 1.00 0.00 H new ATOM 0 HG3 LYS B 102 4.897 2.289 0.305 1.00 0.00 H new ATOM 0 HD2 LYS B 102 7.055 3.337 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS B 102 6.788 2.085 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS B 102 4.430 2.877 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS B 102 4.733 4.150 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 4.948 4.958 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 6.448 5.045 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 6.155 3.812 -3.742 1.00 0.00 H new ATOM 1700 N VAL B 103 8.038 -0.409 3.331 1.00 0.00 N ATOM 1701 CA VAL B 103 9.288 -0.820 4.053 1.00 0.00 C ATOM 1702 C VAL B 103 9.744 -2.244 3.719 1.00 0.00 C ATOM 1703 O VAL B 103 10.886 -2.444 3.327 1.00 0.00 O ATOM 1704 CB VAL B 103 9.086 -0.643 5.614 1.00 0.00 C ATOM 1705 CG1 VAL B 103 7.846 -1.374 6.140 1.00 0.00 C ATOM 1706 CG2 VAL B 103 10.316 -1.071 6.411 1.00 0.00 C ATOM 0 H VAL B 103 7.379 0.074 3.942 1.00 0.00 H new ATOM 0 HA VAL B 103 10.087 -0.164 3.708 1.00 0.00 H new ATOM 0 HB VAL B 103 8.933 0.426 5.762 1.00 0.00 H new ATOM 0 HG11 VAL B 103 7.760 -1.217 7.215 1.00 0.00 H new ATOM 0 HG12 VAL B 103 6.957 -0.985 5.644 1.00 0.00 H new ATOM 0 HG13 VAL B 103 7.939 -2.441 5.936 1.00 0.00 H new ATOM 0 HG21 VAL B 103 10.127 -0.930 7.475 1.00 0.00 H new ATOM 0 HG22 VAL B 103 10.528 -2.122 6.216 1.00 0.00 H new ATOM 0 HG23 VAL B 103 11.172 -0.466 6.112 1.00 0.00 H new ATOM 1716 N ASP B 104 8.926 -3.211 3.952 1.00 0.00 N ATOM 1717 CA ASP B 104 9.230 -4.564 3.544 1.00 0.00 C ATOM 1718 C ASP B 104 9.015 -4.731 2.024 1.00 0.00 C ATOM 1719 O ASP B 104 9.687 -5.523 1.362 1.00 0.00 O ATOM 1720 CB ASP B 104 8.551 -5.615 4.408 1.00 0.00 C ATOM 1721 CG ASP B 104 7.029 -5.501 4.468 1.00 0.00 C ATOM 1722 OD1 ASP B 104 6.530 -4.449 4.919 1.00 0.00 O ATOM 1723 OD2 ASP B 104 6.341 -6.466 4.067 1.00 0.00 O1- ATOM 0 H ASP B 104 8.030 -3.102 4.427 1.00 0.00 H new ATOM 0 HA ASP B 104 10.290 -4.746 3.722 1.00 0.00 H new ATOM 0 HB2 ASP B 104 8.814 -6.603 4.030 1.00 0.00 H new ATOM 0 HB3 ASP B 104 8.948 -5.546 5.421 1.00 0.00 H new ATOM 1728 N PHE B 105 8.054 -3.941 1.499 1.00 0.00 N ATOM 1729 CA PHE B 105 7.569 -4.049 0.109 1.00 0.00 C ATOM 1730 C PHE B 105 8.674 -3.916 -0.923 1.00 0.00 C ATOM 1731 O PHE B 105 8.651 -4.652 -1.917 1.00 0.00 O ATOM 1732 CB PHE B 105 6.448 -3.000 -0.204 1.00 0.00 C ATOM 1733 CG PHE B 105 6.716 -2.208 -1.497 1.00 0.00 C ATOM 1734 CD1 PHE B 105 7.470 -1.033 -1.483 1.00 0.00 C ATOM 1735 CD2 PHE B 105 6.252 -2.668 -2.728 1.00 0.00 C ATOM 1736 CE1 PHE B 105 7.745 -0.345 -2.651 1.00 0.00 C ATOM 1737 CE2 PHE B 105 6.524 -1.975 -3.897 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.270 -0.815 -3.856 1.00 0.00 C ATOM 0 H PHE B 105 7.591 -3.206 2.033 1.00 0.00 H new ATOM 0 HA PHE B 105 7.156 -5.055 0.034 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.490 -3.513 -0.290 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.364 -2.305 0.631 1.00 0.00 H new ATOM 0 HD1 PHE B 105 7.845 -0.655 -0.544 1.00 0.00 H new ATOM 0 HD2 PHE B 105 5.672 -3.578 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE B 105 8.332 0.561 -2.618 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.152 -2.343 -4.841 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.481 -0.276 -4.768 1.00 0.00 H new ATOM 1748 N ILE B 106 9.628 -2.980 -0.718 1.00 0.00 N ATOM 1749 CA ILE B 106 10.669 -2.781 -1.745 1.00 0.00 C ATOM 1750 C ILE B 106 11.294 -4.105 -2.216 1.00 0.00 C ATOM 1751 O ILE B 106 11.113 -4.466 -3.375 1.00 0.00 O ATOM 1752 CB ILE B 106 11.837 -1.760 -1.399 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.113 -1.500 0.102 1.00 0.00 C ATOM 1754 CG2 ILE B 106 11.578 -0.406 -2.061 1.00 0.00 C ATOM 1755 CD1 ILE B 106 10.910 -1.523 0.992 1.00 0.00 C ATOM 0 H ILE B 106 9.698 -2.380 0.104 1.00 0.00 H new ATOM 0 HA ILE B 106 10.094 -2.315 -2.546 1.00 0.00 H new ATOM 0 HB ILE B 106 12.723 -2.262 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE B 106 12.821 -2.248 0.458 1.00 0.00 H new ATOM 0 HG13 ILE B 106 12.598 -0.529 0.201 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.387 0.281 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.528 -0.533 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE B 106 10.634 0.001 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE B 106 11.215 -1.330 2.021 1.00 0.00 H new ATOM 0 HD12 ILE B 106 10.206 -0.755 0.672 1.00 0.00 H new ATOM 0 HD13 ILE B 106 10.432 -2.501 0.933 1.00 0.00 H new ATOM 1767 N LEU B 107 11.961 -4.864 -1.359 1.00 0.00 N ATOM 1768 CA LEU B 107 12.575 -6.117 -1.826 1.00 0.00 C ATOM 1769 C LEU B 107 11.567 -7.256 -2.085 1.00 0.00 C ATOM 1770 O LEU B 107 11.703 -7.978 -3.077 1.00 0.00 O ATOM 1771 CB LEU B 107 13.748 -6.543 -0.921 1.00 0.00 C ATOM 1772 CG LEU B 107 14.046 -8.060 -0.826 1.00 0.00 C ATOM 1773 CD1 LEU B 107 14.893 -8.539 -1.996 1.00 0.00 C ATOM 1774 CD2 LEU B 107 14.720 -8.397 0.493 1.00 0.00 C ATOM 0 H LEU B 107 12.094 -4.653 -0.370 1.00 0.00 H new ATOM 0 HA LEU B 107 12.989 -5.899 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU B 107 14.649 -6.042 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU B 107 13.552 -6.172 0.085 1.00 0.00 H new ATOM 0 HG LEU B 107 13.091 -8.583 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU B 107 15.082 -9.608 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU B 107 14.363 -8.351 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU B 107 15.842 -8.002 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU B 107 14.919 -9.468 0.537 1.00 0.00 H new ATOM 0 HD22 LEU B 107 15.659 -7.850 0.572 1.00 0.00 H new ATOM 0 HD23 LEU B 107 14.066 -8.116 1.318 1.00 0.00 H new ATOM 1786 N GLN B 108 10.570 -7.411 -1.206 1.00 0.00 N ATOM 1787 CA GLN B 108 9.568 -8.488 -1.336 1.00 0.00 C ATOM 1788 C GLN B 108 8.759 -8.419 -2.648 1.00 0.00 C ATOM 1789 O GLN B 108 7.963 -7.500 -2.861 1.00 0.00 O ATOM 1790 CB GLN B 108 8.616 -8.477 -0.134 1.00 0.00 C ATOM 1791 CG GLN B 108 9.219 -9.078 1.126 1.00 0.00 C ATOM 1792 CD GLN B 108 8.206 -9.223 2.245 1.00 0.00 C ATOM 1793 OE1 GLN B 108 8.025 -8.315 3.056 1.00 0.00 O ATOM 1794 NE2 GLN B 108 7.540 -10.371 2.295 1.00 0.00 N ATOM 0 H GLN B 108 10.431 -6.807 -0.396 1.00 0.00 H new ATOM 0 HA GLN B 108 10.127 -9.423 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN B 108 8.316 -7.450 0.071 1.00 0.00 H new ATOM 0 HB3 GLN B 108 7.712 -9.028 -0.392 1.00 0.00 H new ATOM 0 HG2 GLN B 108 9.639 -10.056 0.892 1.00 0.00 H new ATOM 0 HG3 GLN B 108 10.043 -8.450 1.466 1.00 0.00 H new ATOM 0 HE21 GLN B 108 7.722 -11.097 1.602 1.00 0.00 H new ATOM 0 HE22 GLN B 108 6.846 -10.527 3.027 1.00 0.00 H new ATOM 1803 N ARG B 109 8.999 -9.423 -3.525 1.00 0.00 N ATOM 1804 CA ARG B 109 8.318 -9.585 -4.840 1.00 0.00 C ATOM 1805 C ARG B 109 8.303 -8.298 -5.697 1.00 0.00 C ATOM 1806 O ARG B 109 7.282 -7.952 -6.305 1.00 0.00 O ATOM 1807 CB ARG B 109 6.883 -10.118 -4.640 1.00 0.00 C ATOM 1808 CG ARG B 109 6.823 -11.576 -4.210 1.00 0.00 C ATOM 1809 CD ARG B 109 5.388 -12.038 -4.008 1.00 0.00 C ATOM 1810 NE ARG B 109 5.316 -13.442 -3.589 1.00 0.00 N ATOM 1811 CZ ARG B 109 4.185 -14.083 -3.260 1.00 0.00 C ATOM 1812 NH1 ARG B 109 3.006 -13.464 -3.293 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 4.238 -15.357 -2.894 1.00 0.00 N ATOM 0 H ARG B 109 9.682 -10.157 -3.339 1.00 0.00 H new ATOM 0 HA ARG B 109 8.907 -10.312 -5.399 1.00 0.00 H new ATOM 0 HB2 ARG B 109 6.380 -9.507 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG B 109 6.329 -10.001 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG B 109 7.304 -12.199 -4.964 1.00 0.00 H new ATOM 0 HG3 ARG B 109 7.382 -11.707 -3.284 1.00 0.00 H new ATOM 0 HD2 ARG B 109 4.908 -11.411 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG B 109 4.831 -11.908 -4.936 1.00 0.00 H new ATOM 0 HE ARG B 109 6.189 -13.968 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG B 109 2.952 -12.484 -3.572 1.00 0.00 H new ATOM 0 HH12 ARG B 109 2.157 -13.970 -3.039 1.00 0.00 H new ATOM 0 HH21 ARG B 109 5.135 -15.842 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG B 109 3.382 -15.851 -2.642 1.00 0.00 H new ATOM 1827 N GLU B 110 9.453 -7.613 -5.759 1.00 0.00 N ATOM 1828 CA GLU B 110 9.583 -6.369 -6.536 1.00 0.00 C ATOM 1829 C GLU B 110 10.955 -6.283 -7.252 1.00 0.00 C ATOM 1830 O GLU B 110 11.859 -7.056 -6.923 1.00 0.00 O ATOM 1831 CB GLU B 110 9.381 -5.160 -5.609 1.00 0.00 C ATOM 1832 CG GLU B 110 8.032 -4.461 -5.765 1.00 0.00 C ATOM 1833 CD GLU B 110 6.877 -5.230 -5.142 1.00 0.00 C ATOM 1834 OE1 GLU B 110 6.847 -5.355 -3.901 1.00 0.00 O ATOM 1835 OE2 GLU B 110 6.001 -5.698 -5.900 1.00 0.00 O1- ATOM 0 H GLU B 110 10.308 -7.898 -5.281 1.00 0.00 H new ATOM 0 HA GLU B 110 8.814 -6.366 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU B 110 9.488 -5.489 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU B 110 10.175 -4.437 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU B 110 8.089 -3.473 -5.309 1.00 0.00 H new ATOM 0 HG3 GLU B 110 7.829 -4.312 -6.825 1.00 0.00 H new ATOM 1842 N PRO B 111 11.132 -5.342 -8.257 1.00 0.00 N ATOM 1843 CA PRO B 111 12.404 -5.164 -9.021 1.00 0.00 C ATOM 1844 C PRO B 111 13.692 -5.165 -8.174 1.00 0.00 C ATOM 1845 O PRO B 111 13.640 -5.091 -6.945 1.00 0.00 O ATOM 1846 CB PRO B 111 12.209 -3.797 -9.682 1.00 0.00 C ATOM 1847 CG PRO B 111 10.750 -3.716 -9.932 1.00 0.00 C ATOM 1848 CD PRO B 111 10.093 -4.396 -8.759 1.00 0.00 C ATOM 0 HA PRO B 111 12.559 -6.001 -9.702 1.00 0.00 H new ATOM 0 HB2 PRO B 111 12.547 -2.989 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO B 111 12.776 -3.719 -10.609 1.00 0.00 H new ATOM 0 HG2 PRO B 111 10.425 -2.679 -10.015 1.00 0.00 H new ATOM 0 HG3 PRO B 111 10.486 -4.209 -10.868 1.00 0.00 H new ATOM 0 HD2 PRO B 111 9.805 -3.677 -7.992 1.00 0.00 H new ATOM 0 HD3 PRO B 111 9.187 -4.922 -9.060 1.00 0.00 H new ATOM 1856 N TYR B 112 14.846 -5.225 -8.871 1.00 0.00 N ATOM 1857 CA TYR B 112 16.186 -5.273 -8.243 1.00 0.00 C ATOM 1858 C TYR B 112 16.493 -4.063 -7.338 1.00 0.00 C ATOM 1859 O TYR B 112 17.049 -4.225 -6.244 1.00 0.00 O ATOM 1860 CB TYR B 112 17.277 -5.416 -9.324 1.00 0.00 C ATOM 1861 CG TYR B 112 17.253 -4.349 -10.406 1.00 0.00 C ATOM 1862 CD1 TYR B 112 16.451 -4.490 -11.532 1.00 0.00 C ATOM 1863 CD2 TYR B 112 18.033 -3.204 -10.297 1.00 0.00 C ATOM 1864 CE1 TYR B 112 16.428 -3.522 -12.518 1.00 0.00 C ATOM 1865 CE2 TYR B 112 18.016 -2.232 -11.278 1.00 0.00 C ATOM 1866 CZ TYR B 112 17.212 -2.395 -12.386 1.00 0.00 C ATOM 1867 OH TYR B 112 17.192 -1.429 -13.365 1.00 0.00 O ATOM 0 H TYR B 112 14.876 -5.242 -9.890 1.00 0.00 H new ATOM 0 HA TYR B 112 16.184 -6.148 -7.593 1.00 0.00 H new ATOM 0 HB2 TYR B 112 18.253 -5.398 -8.839 1.00 0.00 H new ATOM 0 HB3 TYR B 112 17.174 -6.393 -9.796 1.00 0.00 H new ATOM 0 HD1 TYR B 112 15.835 -5.371 -11.638 1.00 0.00 H new ATOM 0 HD2 TYR B 112 18.663 -3.072 -9.430 1.00 0.00 H new ATOM 0 HE1 TYR B 112 15.799 -3.647 -13.387 1.00 0.00 H new ATOM 0 HE2 TYR B 112 18.629 -1.349 -11.178 1.00 0.00 H new ATOM 0 HH TYR B 112 17.799 -0.701 -13.118 1.00 0.00 H new ATOM 1877 N CYS B 113 16.127 -2.859 -7.802 1.00 0.00 N ATOM 1878 CA CYS B 113 16.364 -1.611 -7.052 1.00 0.00 C ATOM 1879 C CYS B 113 15.693 -1.639 -5.671 1.00 0.00 C ATOM 1880 O CYS B 113 16.282 -1.225 -4.672 1.00 0.00 O ATOM 1881 CB CYS B 113 15.859 -0.411 -7.858 1.00 0.00 C ATOM 1882 SG CYS B 113 16.346 1.190 -7.180 1.00 0.00 S ATOM 0 H CYS B 113 15.662 -2.720 -8.699 1.00 0.00 H new ATOM 0 HA CYS B 113 17.439 -1.518 -6.895 1.00 0.00 H new ATOM 0 HB2 CYS B 113 16.232 -0.490 -8.879 1.00 0.00 H new ATOM 0 HB3 CYS B 113 14.771 -0.455 -7.912 1.00 0.00 H new ATOM 0 HG CYS B 113 15.874 2.141 -7.931 1.00 0.00 H new ATOM 1888 N ARG B 114 14.466 -2.161 -5.632 1.00 0.00 N ATOM 1889 CA ARG B 114 13.678 -2.272 -4.418 1.00 0.00 C ATOM 1890 C ARG B 114 14.254 -3.399 -3.570 1.00 0.00 C ATOM 1891 O ARG B 114 14.288 -3.322 -2.339 1.00 0.00 O ATOM 1892 CB ARG B 114 12.188 -2.463 -4.745 1.00 0.00 C ATOM 1893 CG ARG B 114 11.607 -1.346 -5.612 1.00 0.00 C ATOM 1894 CD ARG B 114 10.088 -1.371 -5.647 1.00 0.00 C ATOM 1895 NE ARG B 114 9.537 -0.190 -6.322 1.00 0.00 N ATOM 1896 CZ ARG B 114 8.361 -0.157 -6.965 1.00 0.00 C ATOM 1897 NH1 ARG B 114 7.582 -1.236 -7.037 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 7.961 0.970 -7.542 1.00 0.00 N ATOM 0 H ARG B 114 13.991 -2.522 -6.459 1.00 0.00 H new ATOM 0 HA ARG B 114 13.735 -1.349 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG B 114 12.056 -3.416 -5.257 1.00 0.00 H new ATOM 0 HB3 ARG B 114 11.624 -2.520 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG B 114 11.943 -0.382 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG B 114 11.993 -1.440 -6.627 1.00 0.00 H new ATOM 0 HD2 ARG B 114 9.751 -2.272 -6.160 1.00 0.00 H new ATOM 0 HD3 ARG B 114 9.702 -1.420 -4.629 1.00 0.00 H new ATOM 0 HE ARG B 114 10.089 0.668 -6.300 1.00 0.00 H new ATOM 0 HH11 ARG B 114 7.877 -2.108 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG B 114 6.691 -1.190 -7.531 1.00 0.00 H new ATOM 0 HH21 ARG B 114 8.547 1.803 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG B 114 7.067 1.002 -8.033 1.00 0.00 H new ATOM 1912 N ASP B 115 14.695 -4.457 -4.281 1.00 0.00 N ATOM 1913 CA ASP B 115 15.315 -5.644 -3.687 1.00 0.00 C ATOM 1914 C ASP B 115 16.436 -5.283 -2.709 1.00 0.00 C ATOM 1915 O ASP B 115 16.563 -5.913 -1.675 1.00 0.00 O ATOM 1916 CB ASP B 115 15.875 -6.574 -4.768 1.00 0.00 C ATOM 1917 CG ASP B 115 14.798 -7.378 -5.483 1.00 0.00 C ATOM 1918 OD1 ASP B 115 13.894 -7.910 -4.803 1.00 0.00 O1- ATOM 1919 OD2 ASP B 115 14.865 -7.483 -6.724 1.00 0.00 O ATOM 0 H ASP B 115 14.626 -4.505 -5.298 1.00 0.00 H new ATOM 0 HA ASP B 115 14.527 -6.157 -3.135 1.00 0.00 H new ATOM 0 HB2 ASP B 115 16.423 -5.981 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP B 115 16.590 -7.260 -4.314 1.00 0.00 H new ATOM 1924 N ILE B 116 17.235 -4.261 -3.055 1.00 0.00 N ATOM 1925 CA ILE B 116 18.372 -3.836 -2.240 1.00 0.00 C ATOM 1926 C ILE B 116 17.876 -3.036 -1.055 1.00 0.00 C ATOM 1927 O ILE B 116 18.396 -3.139 0.048 1.00 0.00 O ATOM 1928 CB ILE B 116 19.477 -3.055 -3.024 1.00 0.00 C ATOM 1929 CG1 ILE B 116 18.929 -1.841 -3.787 1.00 0.00 C ATOM 1930 CG2 ILE B 116 20.203 -3.988 -3.983 1.00 0.00 C ATOM 1931 CD1 ILE B 116 19.484 -0.522 -3.292 1.00 0.00 C ATOM 0 H ILE B 116 17.107 -3.712 -3.905 1.00 0.00 H new ATOM 0 HA ILE B 116 18.865 -4.747 -1.899 1.00 0.00 H new ATOM 0 HB ILE B 116 20.175 -2.672 -2.279 1.00 0.00 H new ATOM 0 HG12 ILE B 116 19.162 -1.951 -4.846 1.00 0.00 H new ATOM 0 HG13 ILE B 116 17.843 -1.826 -3.700 1.00 0.00 H new ATOM 0 HG21 ILE B 116 20.969 -3.431 -4.522 1.00 0.00 H new ATOM 0 HG22 ILE B 116 20.670 -4.796 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE B 116 19.490 -4.405 -4.694 1.00 0.00 H new ATOM 0 HD11 ILE B 116 19.056 0.294 -3.874 1.00 0.00 H new ATOM 0 HD12 ILE B 116 19.228 -0.391 -2.241 1.00 0.00 H new ATOM 0 HD13 ILE B 116 20.568 -0.518 -3.405 1.00 0.00 H new ATOM 1943 N ASN B 117 16.855 -2.216 -1.337 1.00 0.00 N ATOM 1944 CA ASN B 117 16.241 -1.329 -0.355 1.00 0.00 C ATOM 1945 C ASN B 117 15.845 -2.051 0.958 1.00 0.00 C ATOM 1946 O ASN B 117 16.424 -1.741 1.989 1.00 0.00 O ATOM 1947 CB ASN B 117 15.022 -0.658 -0.989 1.00 0.00 C ATOM 1948 CG ASN B 117 15.293 0.082 -2.301 1.00 0.00 C ATOM 1949 OD1 ASN B 117 14.370 0.345 -3.071 1.00 0.00 O ATOM 1950 ND2 ASN B 117 16.554 0.413 -2.575 1.00 0.00 N ATOM 0 H ASN B 117 16.432 -2.153 -2.263 1.00 0.00 H new ATOM 0 HA ASN B 117 16.983 -0.583 -0.072 1.00 0.00 H new ATOM 0 HB2 ASN B 117 14.262 -1.418 -1.170 1.00 0.00 H new ATOM 0 HB3 ASN B 117 14.602 0.048 -0.272 1.00 0.00 H new ATOM 0 HD21 ASN B 117 16.777 0.899 -3.444 1.00 0.00 H new ATOM 0 HD22 ASN B 117 17.297 0.181 -1.916 1.00 0.00 H new ATOM 1957 N GLN B 118 14.896 -3.019 0.942 1.00 0.00 N ATOM 1958 CA GLN B 118 14.553 -3.749 2.189 1.00 0.00 C ATOM 1959 C GLN B 118 15.670 -4.721 2.549 1.00 0.00 C ATOM 1960 O GLN B 118 16.012 -4.886 3.716 1.00 0.00 O ATOM 1961 CB GLN B 118 13.160 -4.446 2.165 1.00 0.00 C ATOM 1962 CG GLN B 118 13.191 -5.940 2.537 1.00 0.00 C ATOM 1963 CD GLN B 118 11.913 -6.450 3.169 1.00 0.00 C ATOM 1964 OE1 GLN B 118 11.089 -7.076 2.508 1.00 0.00 O ATOM 1965 NE2 GLN B 118 11.744 -6.189 4.460 1.00 0.00 N ATOM 0 H GLN B 118 14.372 -3.305 0.115 1.00 0.00 H new ATOM 0 HA GLN B 118 14.465 -2.997 2.973 1.00 0.00 H new ATOM 0 HB2 GLN B 118 12.495 -3.926 2.854 1.00 0.00 H new ATOM 0 HB3 GLN B 118 12.732 -4.341 1.168 1.00 0.00 H new ATOM 0 HG2 GLN B 118 13.396 -6.522 1.639 1.00 0.00 H new ATOM 0 HG3 GLN B 118 14.018 -6.114 3.225 1.00 0.00 H new ATOM 0 HE21 GLN B 118 12.454 -5.665 4.972 1.00 0.00 H new ATOM 0 HE22 GLN B 118 10.904 -6.512 4.940 1.00 0.00 H new ATOM 1974 N LEU B 119 16.215 -5.374 1.522 1.00 0.00 N ATOM 1975 CA LEU B 119 17.306 -6.331 1.678 1.00 0.00 C ATOM 1976 C LEU B 119 18.445 -5.716 2.496 1.00 0.00 C ATOM 1977 O LEU B 119 18.809 -6.243 3.545 1.00 0.00 O ATOM 1978 CB LEU B 119 17.795 -6.738 0.288 1.00 0.00 C ATOM 1979 CG LEU B 119 18.452 -8.126 0.177 1.00 0.00 C ATOM 1980 CD1 LEU B 119 18.303 -8.678 -1.232 1.00 0.00 C ATOM 1981 CD2 LEU B 119 19.928 -8.064 0.555 1.00 0.00 C ATOM 0 H LEU B 119 15.910 -5.252 0.556 1.00 0.00 H new ATOM 0 HA LEU B 119 16.954 -7.212 2.215 1.00 0.00 H new ATOM 0 HB2 LEU B 119 16.947 -6.705 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU B 119 18.511 -5.992 -0.055 1.00 0.00 H new ATOM 0 HG LEU B 119 17.943 -8.791 0.874 1.00 0.00 H new ATOM 0 HD11 LEU B 119 18.774 -9.659 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU B 119 17.245 -8.768 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU B 119 18.784 -8.003 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU B 119 20.368 -9.057 0.468 1.00 0.00 H new ATOM 0 HD22 LEU B 119 20.447 -7.378 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU B 119 20.026 -7.712 1.582 1.00 0.00 H new ATOM 1993 N SER B 120 18.971 -4.578 2.026 1.00 0.00 N ATOM 1994 CA SER B 120 20.050 -3.880 2.735 1.00 0.00 C ATOM 1995 C SER B 120 19.542 -3.189 4.015 1.00 0.00 C ATOM 1996 O SER B 120 20.179 -3.289 5.063 1.00 0.00 O ATOM 1997 CB SER B 120 20.728 -2.855 1.817 1.00 0.00 C ATOM 1998 OG SER B 120 21.914 -2.341 2.403 1.00 0.00 O ATOM 0 H SER B 120 18.669 -4.124 1.164 1.00 0.00 H new ATOM 0 HA SER B 120 20.781 -4.633 3.029 1.00 0.00 H new ATOM 0 HB2 SER B 120 20.965 -3.321 0.861 1.00 0.00 H new ATOM 0 HB3 SER B 120 20.038 -2.037 1.610 1.00 0.00 H new ATOM 0 HG SER B 120 22.325 -1.692 1.795 1.00 0.00 H new ATOM 2004 N GLU B 121 18.393 -2.490 3.919 1.00 0.00 N ATOM 2005 CA GLU B 121 17.817 -1.754 5.063 1.00 0.00 C ATOM 2006 C GLU B 121 17.170 -2.667 6.121 1.00 0.00 C ATOM 2007 O GLU B 121 17.664 -2.733 7.251 1.00 0.00 O ATOM 2008 CB GLU B 121 16.798 -0.732 4.540 1.00 0.00 C ATOM 2009 CG GLU B 121 17.412 0.541 3.960 1.00 0.00 C ATOM 2010 CD GLU B 121 18.376 0.308 2.801 1.00 0.00 C ATOM 2011 OE1 GLU B 121 19.581 0.112 3.063 1.00 0.00 O1- ATOM 2012 OE2 GLU B 121 17.924 0.326 1.639 1.00 0.00 O ATOM 0 H GLU B 121 17.846 -2.420 3.061 1.00 0.00 H new ATOM 0 HA GLU B 121 18.640 -1.250 5.570 1.00 0.00 H new ATOM 0 HB2 GLU B 121 16.188 -1.208 3.772 1.00 0.00 H new ATOM 0 HB3 GLU B 121 16.128 -0.458 5.355 1.00 0.00 H new ATOM 0 HG2 GLU B 121 16.608 1.195 3.622 1.00 0.00 H new ATOM 0 HG3 GLU B 121 17.940 1.069 4.754 1.00 0.00 H new ATOM 2019 N ALA B 122 16.067 -3.366 5.764 1.00 0.00 N ATOM 2020 CA ALA B 122 15.396 -4.303 6.700 1.00 0.00 C ATOM 2021 C ALA B 122 16.306 -5.385 7.312 1.00 0.00 C ATOM 2022 O ALA B 122 16.188 -5.665 8.507 1.00 0.00 O ATOM 2023 CB ALA B 122 14.198 -4.957 6.030 1.00 0.00 C ATOM 0 H ALA B 122 15.626 -3.302 4.846 1.00 0.00 H new ATOM 0 HA ALA B 122 15.080 -3.680 7.537 1.00 0.00 H new ATOM 0 HB1 ALA B 122 13.718 -5.641 6.730 1.00 0.00 H new ATOM 0 HB2 ALA B 122 13.486 -4.189 5.727 1.00 0.00 H new ATOM 0 HB3 ALA B 122 14.530 -5.511 5.152 1.00 0.00 H new ATOM 2029 N LEU B 123 17.207 -5.991 6.519 1.00 0.00 N ATOM 2030 CA LEU B 123 18.088 -7.060 7.037 1.00 0.00 C ATOM 2031 C LEU B 123 19.183 -6.532 7.980 1.00 0.00 C ATOM 2032 O LEU B 123 19.461 -7.153 9.010 1.00 0.00 O ATOM 2033 CB LEU B 123 18.724 -7.848 5.883 1.00 0.00 C ATOM 2034 CG LEU B 123 19.147 -9.289 6.207 1.00 0.00 C ATOM 2035 CD1 LEU B 123 17.983 -10.256 6.021 1.00 0.00 C ATOM 2036 CD2 LEU B 123 20.327 -9.704 5.340 1.00 0.00 C ATOM 0 H LEU B 123 17.346 -5.766 5.534 1.00 0.00 H new ATOM 0 HA LEU B 123 17.452 -7.723 7.624 1.00 0.00 H new ATOM 0 HB2 LEU B 123 18.017 -7.875 5.054 1.00 0.00 H new ATOM 0 HB3 LEU B 123 19.601 -7.302 5.536 1.00 0.00 H new ATOM 0 HG LEU B 123 19.452 -9.325 7.253 1.00 0.00 H new ATOM 0 HD11 LEU B 123 18.310 -11.269 6.257 1.00 0.00 H new ATOM 0 HD12 LEU B 123 17.166 -9.974 6.686 1.00 0.00 H new ATOM 0 HD13 LEU B 123 17.639 -10.217 4.987 1.00 0.00 H new ATOM 0 HD21 LEU B 123 20.614 -10.727 5.582 1.00 0.00 H new ATOM 0 HD22 LEU B 123 20.045 -9.645 4.289 1.00 0.00 H new ATOM 0 HD23 LEU B 123 21.169 -9.037 5.527 1.00 0.00 H new ATOM 2048 N LEU B 124 19.796 -5.391 7.627 1.00 0.00 N ATOM 2049 CA LEU B 124 20.876 -4.797 8.435 1.00 0.00 C ATOM 2050 C LEU B 124 20.361 -4.172 9.743 1.00 0.00 C ATOM 2051 O LEU B 124 20.993 -4.325 10.793 1.00 0.00 O ATOM 2052 CB LEU B 124 21.641 -3.747 7.616 1.00 0.00 C ATOM 2053 CG LEU B 124 23.115 -3.544 8.002 1.00 0.00 C ATOM 2054 CD1 LEU B 124 24.006 -4.583 7.331 1.00 0.00 C ATOM 2055 CD2 LEU B 124 23.570 -2.140 7.635 1.00 0.00 C ATOM 0 H LEU B 124 19.563 -4.860 6.788 1.00 0.00 H new ATOM 0 HA LEU B 124 21.549 -5.609 8.709 1.00 0.00 H new ATOM 0 HB2 LEU B 124 21.596 -4.030 6.564 1.00 0.00 H new ATOM 0 HB3 LEU B 124 21.125 -2.792 7.712 1.00 0.00 H new ATOM 0 HG LEU B 124 23.202 -3.671 9.081 1.00 0.00 H new ATOM 0 HD11 LEU B 124 25.043 -4.415 7.622 1.00 0.00 H new ATOM 0 HD12 LEU B 124 23.699 -5.581 7.642 1.00 0.00 H new ATOM 0 HD13 LEU B 124 23.914 -4.496 6.248 1.00 0.00 H new ATOM 0 HD21 LEU B 124 24.616 -2.012 7.915 1.00 0.00 H new ATOM 0 HD22 LEU B 124 23.461 -1.991 6.561 1.00 0.00 H new ATOM 0 HD23 LEU B 124 22.960 -1.409 8.166 1.00 0.00 H new ATOM 2067 N SER B 125 19.219 -3.473 9.668 1.00 0.00 N ATOM 2068 CA SER B 125 18.622 -2.803 10.836 1.00 0.00 C ATOM 2069 C SER B 125 18.005 -3.791 11.837 1.00 0.00 C ATOM 2070 O SER B 125 18.166 -3.625 13.051 1.00 0.00 O ATOM 2071 CB SER B 125 17.561 -1.797 10.381 1.00 0.00 C ATOM 2072 OG SER B 125 18.113 -0.834 9.500 1.00 0.00 O ATOM 0 H SER B 125 18.687 -3.356 8.806 1.00 0.00 H new ATOM 0 HA SER B 125 19.431 -2.285 11.351 1.00 0.00 H new ATOM 0 HB2 SER B 125 16.746 -2.324 9.884 1.00 0.00 H new ATOM 0 HB3 SER B 125 17.134 -1.296 11.250 1.00 0.00 H new ATOM 0 HG SER B 125 18.038 -1.154 8.577 1.00 0.00 H new ATOM 2078 N LEU B 126 17.303 -4.814 11.323 1.00 0.00 N ATOM 2079 CA LEU B 126 16.647 -5.827 12.168 1.00 0.00 C ATOM 2080 C LEU B 126 17.650 -6.791 12.819 1.00 0.00 C ATOM 2081 O LEU B 126 17.568 -7.048 14.024 1.00 0.00 O ATOM 2082 CB LEU B 126 15.605 -6.623 11.345 1.00 0.00 C ATOM 2083 CG LEU B 126 14.178 -6.025 11.218 1.00 0.00 C ATOM 2084 CD1 LEU B 126 13.458 -5.983 12.565 1.00 0.00 C ATOM 2085 CD2 LEU B 126 14.198 -4.636 10.581 1.00 0.00 C ATOM 0 H LEU B 126 17.175 -4.962 10.322 1.00 0.00 H new ATOM 0 HA LEU B 126 16.145 -5.290 12.973 1.00 0.00 H new ATOM 0 HB2 LEU B 126 16.003 -6.757 10.339 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.515 -7.615 11.787 1.00 0.00 H new ATOM 0 HG LEU B 126 13.621 -6.690 10.558 1.00 0.00 H new ATOM 0 HD11 LEU B 126 12.463 -5.558 12.433 1.00 0.00 H new ATOM 0 HD12 LEU B 126 13.371 -6.994 12.963 1.00 0.00 H new ATOM 0 HD13 LEU B 126 14.026 -5.367 13.262 1.00 0.00 H new ATOM 0 HD21 LEU B 126 13.180 -4.253 10.510 1.00 0.00 H new ATOM 0 HD22 LEU B 126 14.797 -3.963 11.195 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.632 -4.700 9.583 1.00 0.00 H new ATOM 2097 N ASN B 127 18.591 -7.317 12.017 1.00 0.00 N ATOM 2098 CA ASN B 127 19.608 -8.262 12.509 1.00 0.00 C ATOM 2099 C ASN B 127 20.670 -7.568 13.379 1.00 0.00 C ATOM 2100 O ASN B 127 20.807 -7.891 14.562 1.00 0.00 O ATOM 2101 CB ASN B 127 20.268 -8.998 11.334 1.00 0.00 C ATOM 2102 CG ASN B 127 19.362 -10.056 10.732 1.00 0.00 C ATOM 2103 OD1 ASN B 127 19.384 -11.215 11.147 1.00 0.00 O ATOM 2104 ND2 ASN B 127 18.562 -9.663 9.750 1.00 0.00 N ATOM 0 H ASN B 127 18.668 -7.103 11.023 1.00 0.00 H new ATOM 0 HA ASN B 127 19.099 -8.989 13.142 1.00 0.00 H new ATOM 0 HB2 ASN B 127 20.541 -8.276 10.564 1.00 0.00 H new ATOM 0 HB3 ASN B 127 21.192 -9.466 11.675 1.00 0.00 H new ATOM 0 HD21 ASN B 127 17.932 -10.332 9.307 1.00 0.00 H new ATOM 0 HD22 ASN B 127 18.577 -8.692 9.438 1.00 0.00 H new ATOM 2111 N PHE B 128 21.414 -6.618 12.784 1.00 0.00 N ATOM 2112 CA PHE B 128 22.464 -5.873 13.495 1.00 0.00 C ATOM 2113 C PHE B 128 21.872 -4.856 14.479 1.00 0.00 C ATOM 2114 O PHE B 128 22.129 -4.993 15.693 1.00 0.00 O ATOM 2115 CB PHE B 128 23.394 -5.172 12.497 1.00 0.00 C ATOM 2116 CG PHE B 128 24.343 -6.106 11.798 1.00 0.00 C ATOM 2117 CD1 PHE B 128 23.973 -6.746 10.625 1.00 0.00 C ATOM 2118 CD2 PHE B 128 25.607 -6.342 12.314 1.00 0.00 C ATOM 2119 CE1 PHE B 128 24.845 -7.604 9.982 1.00 0.00 C ATOM 2120 CE2 PHE B 128 26.484 -7.199 11.675 1.00 0.00 C ATOM 2121 CZ PHE B 128 26.102 -7.830 10.507 1.00 0.00 C ATOM 2122 OXT PHE B 128 21.151 -3.939 14.026 1.00 0.00 O1- ATOM 0 H PHE B 128 21.305 -6.348 11.806 1.00 0.00 H new ATOM 0 HA PHE B 128 23.043 -6.593 14.073 1.00 0.00 H new ATOM 0 HB2 PHE B 128 22.790 -4.656 11.751 1.00 0.00 H new ATOM 0 HB3 PHE B 128 23.969 -4.410 13.023 1.00 0.00 H new ATOM 0 HD1 PHE B 128 22.992 -6.572 10.209 1.00 0.00 H new ATOM 0 HD2 PHE B 128 25.911 -5.851 13.226 1.00 0.00 H new ATOM 0 HE1 PHE B 128 24.544 -8.097 9.070 1.00 0.00 H new ATOM 0 HE2 PHE B 128 27.466 -7.375 12.088 1.00 0.00 H new ATOM 0 HZ PHE B 128 26.785 -8.499 10.005 1.00 0.00 H new TER 2132 PHE B 128