USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1126 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 73 CYS SG : rot 64:sc= 0.529 USER MOD Set 1.2: A 93 MET CE :methyl -176:sc= 0 (180deg=-0.0248) USER MOD Set 2.1: A 75 ASN : amide:sc= 0.68 K(o=2.6,f=1.8) USER MOD Set 2.2: A 76 TYR OH : rot 160:sc= 1.95 USER MOD Set 3.1: A 12 ASN : amide:sc= 0.0092! C(o=-0.82!,f=-6!) USER MOD Set 3.2: A 63 HIS : no HE2:sc= -0.83 K(o=-0.82,f=-8.8) USER MOD Set 4.1: A 9 CYS SG : rot 67:sc= 1.82 USER MOD Set 4.2: A 14 CYS SG : rot 180:sc= 0.156 USER MOD Set 4.3: A 16 SER OG : rot 69:sc= 0.984 USER MOD Single : A 3 ASN : amide:sc= 0.649 K(o=0.65,f=-0.2) USER MOD Single : A 4 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 18 THR OG1 : rot 91:sc= 1.29 USER MOD Single : A 24 GLN : amide:sc= 0.511 K(o=0.51,f=-0.22) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= 0.776 K(o=0.78,f=-4.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 59:sc= 1.24 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -160:sc= 0.895 USER MOD Single : A 51 SER OG : rot 83:sc= 1.24 USER MOD Single : A 56 HIS : no HD1:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 57 GLN : amide:sc= 1.15 K(o=1.1,f=-0.014) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.31 K(o=1.3,f=-3.4!) USER MOD Single : A 69 SER OG : rot 24:sc= 0.731 USER MOD Single : A 81 THR OG1 : rot -53:sc= 0.918 USER MOD Single : A 82 MET CE :methyl -160:sc= -0.0158 (180deg=-1.48) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.21) USER MOD Single : A 86 HIS : no HE2:sc= -1.03 K(o=-1,f=-5!) USER MOD Single : A 91 CYS SG : rot 81:sc= 0.229 USER MOD Single : A 97 MET CE :methyl 177:sc= -0.352 (180deg=-0.37) USER MOD Single : A 100 LYS NZ :NH3+ -133:sc= 2.05 (180deg=0.529) USER MOD Single : A 102 MET CE :methyl 177:sc= -1.81 (180deg=-1.94) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= 0.456 K(o=0.46,f=-0.084) USER MOD Single : A 111 CYS SG : rot 88:sc= 0.366 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 167:sc= 1.11 (180deg=0.97) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot -170:sc= 0.00143 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 134 SER OG : rot 77:sc= 1.22 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 140 GLN : amide:sc= 0.714 K(o=0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -3.443 8.266 -12.296 1.00 0.00 N ATOM 19 CA PHE A 2 -4.565 7.355 -12.498 1.00 0.00 C ATOM 20 C PHE A 2 -5.325 7.306 -11.175 1.00 0.00 C ATOM 21 O PHE A 2 -4.731 7.029 -10.134 1.00 0.00 O ATOM 22 CB PHE A 2 -4.055 5.976 -12.964 1.00 0.00 C ATOM 23 CG PHE A 2 -2.898 6.060 -13.949 1.00 0.00 C ATOM 24 CD1 PHE A 2 -3.126 6.308 -15.315 1.00 0.00 C ATOM 25 CD2 PHE A 2 -1.576 6.044 -13.465 1.00 0.00 C ATOM 26 CE1 PHE A 2 -2.042 6.538 -16.182 1.00 0.00 C ATOM 27 CE2 PHE A 2 -0.493 6.291 -14.322 1.00 0.00 C ATOM 28 CZ PHE A 2 -0.725 6.532 -15.689 1.00 0.00 C ATOM 0 HA PHE A 2 -5.239 7.693 -13.285 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.740 5.400 -12.094 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.877 5.430 -13.427 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -4.135 6.322 -15.699 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -1.393 5.839 -12.421 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.222 6.720 -17.231 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.515 6.296 -13.934 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.105 6.712 -16.357 1.00 0.00 H new ATOM 38 N ASN A 3 -6.618 7.640 -11.203 1.00 0.00 N ATOM 39 CA ASN A 3 -7.421 7.849 -9.993 1.00 0.00 C ATOM 40 C ASN A 3 -7.740 6.547 -9.245 1.00 0.00 C ATOM 41 O ASN A 3 -8.117 6.606 -8.076 1.00 0.00 O ATOM 42 CB ASN A 3 -8.727 8.572 -10.372 1.00 0.00 C ATOM 43 CG ASN A 3 -9.637 8.824 -9.166 1.00 0.00 C ATOM 44 OD1 ASN A 3 -10.647 8.150 -8.985 1.00 0.00 O ATOM 45 ND2 ASN A 3 -9.316 9.801 -8.331 1.00 0.00 N ATOM 0 H ASN A 3 -7.140 7.774 -12.069 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.827 8.458 -9.311 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.486 9.524 -10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.265 7.977 -11.110 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.911 10.000 -7.527 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.474 10.354 -8.492 1.00 0.00 H new ATOM 52 N ASN A 4 -7.592 5.391 -9.904 1.00 0.00 N ATOM 53 CA ASN A 4 -8.057 4.098 -9.403 1.00 0.00 C ATOM 54 C ASN A 4 -6.825 3.244 -9.108 1.00 0.00 C ATOM 55 O ASN A 4 -6.153 2.798 -10.041 1.00 0.00 O ATOM 56 CB ASN A 4 -8.973 3.475 -10.469 1.00 0.00 C ATOM 57 CG ASN A 4 -9.617 2.177 -10.011 1.00 0.00 C ATOM 58 OD1 ASN A 4 -9.833 1.957 -8.826 1.00 0.00 O ATOM 59 ND2 ASN A 4 -9.944 1.305 -10.949 1.00 0.00 N ATOM 0 H ASN A 4 -7.138 5.330 -10.815 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.634 4.186 -8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.754 4.189 -10.732 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.394 3.288 -11.374 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.388 0.423 -10.693 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.752 1.514 -11.929 1.00 0.00 H new ATOM 66 N ILE A 5 -6.530 3.024 -7.824 1.00 0.00 N ATOM 67 CA ILE A 5 -5.257 2.456 -7.377 1.00 0.00 C ATOM 68 C ILE A 5 -5.469 1.215 -6.498 1.00 0.00 C ATOM 69 O ILE A 5 -6.465 1.111 -5.777 1.00 0.00 O ATOM 70 CB ILE A 5 -4.491 3.584 -6.623 1.00 0.00 C ATOM 71 CG1 ILE A 5 -4.348 4.834 -7.534 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.128 3.137 -6.052 1.00 0.00 C ATOM 73 CD1 ILE A 5 -3.450 5.947 -6.997 1.00 0.00 C ATOM 0 H ILE A 5 -7.173 3.237 -7.061 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.671 2.111 -8.229 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.092 3.844 -5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.959 4.514 -8.501 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.341 5.247 -7.711 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.655 3.976 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.279 2.321 -5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.486 2.798 -6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.422 6.769 -7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.845 6.306 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.441 5.561 -6.849 1.00 0.00 H new ATOM 85 N LEU A 6 -4.483 0.314 -6.515 1.00 0.00 N ATOM 86 CA LEU A 6 -4.413 -0.838 -5.617 1.00 0.00 C ATOM 87 C LEU A 6 -3.085 -0.791 -4.867 1.00 0.00 C ATOM 88 O LEU A 6 -2.077 -0.377 -5.442 1.00 0.00 O ATOM 89 CB LEU A 6 -4.488 -2.126 -6.452 1.00 0.00 C ATOM 90 CG LEU A 6 -4.568 -3.439 -5.652 1.00 0.00 C ATOM 91 CD1 LEU A 6 -5.821 -3.515 -4.776 1.00 0.00 C ATOM 92 CD2 LEU A 6 -4.571 -4.630 -6.615 1.00 0.00 C ATOM 0 H LEU A 6 -3.699 0.367 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.239 -0.817 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.361 -2.065 -7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.611 -2.169 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.696 -3.468 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.829 -4.460 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.819 -2.689 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.709 -3.450 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.628 -5.558 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.432 -4.559 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.655 -4.622 -7.206 1.00 0.00 H new ATOM 104 N VAL A 7 -3.057 -1.280 -3.629 1.00 0.00 N ATOM 105 CA VAL A 7 -1.821 -1.458 -2.875 1.00 0.00 C ATOM 106 C VAL A 7 -1.731 -2.930 -2.471 1.00 0.00 C ATOM 107 O VAL A 7 -2.750 -3.529 -2.121 1.00 0.00 O ATOM 108 CB VAL A 7 -1.772 -0.511 -1.657 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.335 -0.458 -1.124 1.00 0.00 C ATOM 110 CG2 VAL A 7 -2.225 0.926 -1.970 1.00 0.00 C ATOM 0 H VAL A 7 -3.894 -1.564 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.957 -1.199 -3.487 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.468 -0.915 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.291 0.209 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.021 -1.458 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.329 -0.087 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.163 1.532 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.579 1.352 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.254 0.913 -2.329 1.00 0.00 H new ATOM 120 N VAL A 8 -0.535 -3.520 -2.555 1.00 0.00 N ATOM 121 CA VAL A 8 -0.359 -4.961 -2.406 1.00 0.00 C ATOM 122 C VAL A 8 0.859 -5.227 -1.513 1.00 0.00 C ATOM 123 O VAL A 8 1.927 -4.653 -1.750 1.00 0.00 O ATOM 124 CB VAL A 8 -0.230 -5.617 -3.803 1.00 0.00 C ATOM 125 CG1 VAL A 8 -0.332 -7.147 -3.713 1.00 0.00 C ATOM 126 CG2 VAL A 8 -1.315 -5.146 -4.789 1.00 0.00 C ATOM 0 H VAL A 8 0.332 -3.012 -2.727 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.227 -5.409 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 8 0.750 -5.311 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.238 -7.577 -4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.466 -7.528 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.297 -7.423 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.172 -5.640 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.299 -5.398 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.242 -4.067 -4.922 1.00 0.00 H new ATOM 136 N CYS A 9 0.724 -6.115 -0.515 1.00 0.00 N ATOM 137 CA CYS A 9 1.850 -6.513 0.342 1.00 0.00 C ATOM 138 C CYS A 9 1.791 -8.003 0.695 1.00 0.00 C ATOM 139 O CYS A 9 0.843 -8.684 0.311 1.00 0.00 O ATOM 140 CB CYS A 9 1.931 -5.598 1.580 1.00 0.00 C ATOM 141 SG CYS A 9 0.613 -5.900 2.800 1.00 0.00 S ATOM 0 H CYS A 9 -0.158 -6.572 -0.282 1.00 0.00 H new ATOM 0 HA CYS A 9 2.778 -6.380 -0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.899 -5.738 2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.883 -4.558 1.256 1.00 0.00 H new ATOM 0 HG CYS A 9 0.767 -7.080 3.323 1.00 0.00 H new ATOM 147 N VAL A 10 2.773 -8.544 1.420 1.00 0.00 N ATOM 148 CA VAL A 10 2.621 -9.900 1.955 1.00 0.00 C ATOM 149 C VAL A 10 1.561 -9.850 3.061 1.00 0.00 C ATOM 150 O VAL A 10 1.438 -8.839 3.756 1.00 0.00 O ATOM 151 CB VAL A 10 3.964 -10.473 2.459 1.00 0.00 C ATOM 152 CG1 VAL A 10 4.804 -10.937 1.263 1.00 0.00 C ATOM 153 CG2 VAL A 10 4.770 -9.498 3.334 1.00 0.00 C ATOM 0 H VAL A 10 3.654 -8.083 1.645 1.00 0.00 H new ATOM 0 HA VAL A 10 2.296 -10.578 1.166 1.00 0.00 H new ATOM 0 HB VAL A 10 3.721 -11.317 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.752 -11.341 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.263 -11.709 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.996 -10.091 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.699 -9.974 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.998 -8.599 2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.185 -9.229 4.213 1.00 0.00 H new ATOM 163 N GLY A 11 0.761 -10.908 3.203 1.00 0.00 N ATOM 164 CA GLY A 11 -0.275 -10.988 4.227 1.00 0.00 C ATOM 165 C GLY A 11 -1.508 -10.128 3.944 1.00 0.00 C ATOM 166 O GLY A 11 -2.588 -10.518 4.380 1.00 0.00 O ATOM 0 H GLY A 11 0.816 -11.735 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.587 -12.027 4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.152 -10.687 5.183 1.00 0.00 H new ATOM 170 N ASN A 12 -1.375 -9.007 3.213 1.00 0.00 N ATOM 171 CA ASN A 12 -2.411 -7.975 3.016 1.00 0.00 C ATOM 172 C ASN A 12 -2.723 -7.204 4.299 1.00 0.00 C ATOM 173 O ASN A 12 -2.808 -5.983 4.248 1.00 0.00 O ATOM 174 CB ASN A 12 -3.708 -8.556 2.412 1.00 0.00 C ATOM 175 CG ASN A 12 -4.809 -7.577 1.995 1.00 0.00 C ATOM 176 OD1 ASN A 12 -5.646 -7.955 1.191 1.00 0.00 O ATOM 177 ND2 ASN A 12 -4.921 -6.373 2.526 1.00 0.00 N ATOM 0 H ASN A 12 -0.508 -8.785 2.723 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.990 -7.270 2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.434 -9.143 1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.134 -9.248 3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.701 -5.770 2.263 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.228 -6.046 3.199 1.00 0.00 H new ATOM 184 N ILE A 13 -2.898 -7.884 5.429 1.00 0.00 N ATOM 185 CA ILE A 13 -3.418 -7.358 6.691 1.00 0.00 C ATOM 186 C ILE A 13 -2.794 -6.064 7.248 1.00 0.00 C ATOM 187 O ILE A 13 -3.408 -5.475 8.136 1.00 0.00 O ATOM 188 CB ILE A 13 -3.389 -8.484 7.753 1.00 0.00 C ATOM 189 CG1 ILE A 13 -1.944 -8.942 8.073 1.00 0.00 C ATOM 190 CG2 ILE A 13 -4.267 -9.671 7.313 1.00 0.00 C ATOM 191 CD1 ILE A 13 -1.856 -9.925 9.245 1.00 0.00 C ATOM 0 H ILE A 13 -2.667 -8.876 5.493 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.431 -7.037 6.451 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.804 -8.076 8.675 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.515 -9.408 7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.336 -8.066 8.298 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.232 -10.451 8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.296 -9.335 7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.895 -10.068 6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.815 -10.201 9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.254 -9.455 10.144 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.436 -10.819 9.015 1.00 0.00 H new ATOM 203 N CYS A 14 -1.628 -5.601 6.785 1.00 0.00 N ATOM 204 CA CYS A 14 -0.900 -4.515 7.438 1.00 0.00 C ATOM 205 C CYS A 14 -0.560 -3.354 6.499 1.00 0.00 C ATOM 206 O CYS A 14 -1.213 -2.310 6.562 1.00 0.00 O ATOM 207 CB CYS A 14 0.336 -5.088 8.159 1.00 0.00 C ATOM 208 SG CYS A 14 1.310 -6.202 7.094 1.00 0.00 S ATOM 0 H CYS A 14 -1.167 -5.968 5.952 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.560 -4.067 8.181 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.969 -4.267 8.496 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.015 -5.630 9.049 1.00 0.00 H new ATOM 0 HG CYS A 14 2.336 -6.649 7.756 1.00 0.00 H new ATOM 214 N ARG A 15 0.449 -3.486 5.633 1.00 0.00 N ATOM 215 CA ARG A 15 0.960 -2.335 4.886 1.00 0.00 C ATOM 216 C ARG A 15 -0.037 -1.823 3.851 1.00 0.00 C ATOM 217 O ARG A 15 -0.209 -0.605 3.777 1.00 0.00 O ATOM 218 CB ARG A 15 2.342 -2.620 4.271 1.00 0.00 C ATOM 219 CG ARG A 15 3.416 -2.894 5.340 1.00 0.00 C ATOM 220 CD ARG A 15 4.844 -2.861 4.775 1.00 0.00 C ATOM 221 NE ARG A 15 5.112 -3.967 3.835 1.00 0.00 N ATOM 222 CZ ARG A 15 6.330 -4.377 3.453 1.00 0.00 C ATOM 223 NH1 ARG A 15 7.434 -3.815 3.908 1.00 0.00 N ATOM 224 NH2 ARG A 15 6.494 -5.364 2.592 1.00 0.00 N ATOM 0 H ARG A 15 0.923 -4.367 5.434 1.00 0.00 H new ATOM 0 HA ARG A 15 1.093 -1.528 5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.270 -3.479 3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.648 -1.769 3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.328 -2.153 6.135 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.232 -3.869 5.791 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.007 -1.911 4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.557 -2.909 5.598 1.00 0.00 H new ATOM 0 HE ARG A 15 4.307 -4.458 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.377 -3.043 4.572 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.344 -4.153 3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.681 -5.837 2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.434 -5.653 2.321 1.00 0.00 H new ATOM 238 N SER A 16 -0.716 -2.698 3.100 1.00 0.00 N ATOM 239 CA SER A 16 -1.709 -2.264 2.122 1.00 0.00 C ATOM 240 C SER A 16 -2.794 -1.372 2.752 1.00 0.00 C ATOM 241 O SER A 16 -2.888 -0.218 2.331 1.00 0.00 O ATOM 242 CB SER A 16 -2.313 -3.449 1.363 1.00 0.00 C ATOM 243 OG SER A 16 -1.316 -4.246 0.769 1.00 0.00 O ATOM 0 H SER A 16 -0.593 -3.709 3.154 1.00 0.00 H new ATOM 0 HA SER A 16 -1.184 -1.648 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.905 -4.056 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.992 -3.081 0.594 1.00 0.00 H new ATOM 0 HG SER A 16 -0.807 -4.707 1.468 1.00 0.00 H new ATOM 249 N PRO A 17 -3.558 -1.803 3.783 1.00 0.00 N ATOM 250 CA PRO A 17 -4.609 -0.968 4.347 1.00 0.00 C ATOM 251 C PRO A 17 -4.042 0.278 5.026 1.00 0.00 C ATOM 252 O PRO A 17 -4.701 1.315 4.998 1.00 0.00 O ATOM 253 CB PRO A 17 -5.406 -1.851 5.312 1.00 0.00 C ATOM 254 CG PRO A 17 -4.429 -2.963 5.681 1.00 0.00 C ATOM 255 CD PRO A 17 -3.603 -3.116 4.405 1.00 0.00 C ATOM 0 HA PRO A 17 -5.263 -0.586 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.728 -1.293 6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.305 -2.249 4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.809 -2.691 6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.946 -3.886 5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.598 -3.472 4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.055 -3.847 3.735 1.00 0.00 H new ATOM 263 N THR A 18 -2.831 0.224 5.594 1.00 0.00 N ATOM 264 CA THR A 18 -2.208 1.410 6.171 1.00 0.00 C ATOM 265 C THR A 18 -1.999 2.465 5.073 1.00 0.00 C ATOM 266 O THR A 18 -2.493 3.586 5.207 1.00 0.00 O ATOM 267 CB THR A 18 -0.913 1.026 6.910 1.00 0.00 C ATOM 268 OG1 THR A 18 -1.167 0.024 7.873 1.00 0.00 O ATOM 269 CG2 THR A 18 -0.304 2.217 7.656 1.00 0.00 C ATOM 0 H THR A 18 -2.270 -0.625 5.664 1.00 0.00 H new ATOM 0 HA THR A 18 -2.862 1.857 6.920 1.00 0.00 H new ATOM 0 HB THR A 18 -0.221 0.673 6.145 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.037 -0.859 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.608 1.901 8.163 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.068 3.009 6.946 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.018 2.589 8.391 1.00 0.00 H new ATOM 277 N ALA A 19 -1.338 2.107 3.963 1.00 0.00 N ATOM 278 CA ALA A 19 -1.108 3.032 2.854 1.00 0.00 C ATOM 279 C ALA A 19 -2.428 3.515 2.254 1.00 0.00 C ATOM 280 O ALA A 19 -2.590 4.708 2.017 1.00 0.00 O ATOM 281 CB ALA A 19 -0.283 2.351 1.762 1.00 0.00 C ATOM 0 H ALA A 19 -0.952 1.175 3.813 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.565 3.892 3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.118 3.049 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.678 2.040 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.819 1.477 1.392 1.00 0.00 H new ATOM 287 N GLU A 20 -3.367 2.597 2.024 1.00 0.00 N ATOM 288 CA GLU A 20 -4.661 2.906 1.434 1.00 0.00 C ATOM 289 C GLU A 20 -5.386 3.965 2.263 1.00 0.00 C ATOM 290 O GLU A 20 -5.842 4.976 1.728 1.00 0.00 O ATOM 291 CB GLU A 20 -5.468 1.604 1.377 1.00 0.00 C ATOM 292 CG GLU A 20 -6.877 1.751 0.793 1.00 0.00 C ATOM 293 CD GLU A 20 -7.851 0.789 1.484 1.00 0.00 C ATOM 294 OE1 GLU A 20 -7.799 -0.428 1.191 1.00 0.00 O ATOM 295 OE2 GLU A 20 -8.646 1.260 2.331 1.00 0.00 O ATOM 0 H GLU A 20 -3.245 1.609 2.246 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.538 3.312 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.917 0.876 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.548 1.197 2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.222 2.777 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.856 1.548 -0.278 1.00 0.00 H new ATOM 302 N ARG A 21 -5.490 3.755 3.576 1.00 0.00 N ATOM 303 CA ARG A 21 -6.231 4.657 4.445 1.00 0.00 C ATOM 304 C ARG A 21 -5.503 5.986 4.607 1.00 0.00 C ATOM 305 O ARG A 21 -6.158 7.026 4.637 1.00 0.00 O ATOM 306 CB ARG A 21 -6.438 3.980 5.799 1.00 0.00 C ATOM 307 CG ARG A 21 -7.430 2.807 5.766 1.00 0.00 C ATOM 308 CD ARG A 21 -8.870 3.222 5.438 1.00 0.00 C ATOM 309 NE ARG A 21 -9.830 2.353 6.147 1.00 0.00 N ATOM 310 CZ ARG A 21 -10.571 1.363 5.632 1.00 0.00 C ATOM 311 NH1 ARG A 21 -10.472 0.990 4.359 1.00 0.00 N ATOM 312 NH2 ARG A 21 -11.436 0.727 6.409 1.00 0.00 N ATOM 0 H ARG A 21 -5.066 2.963 4.059 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.200 4.874 3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.476 3.619 6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.792 4.722 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.094 2.080 5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.418 2.306 6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.030 4.261 5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.038 3.159 4.363 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.942 2.527 7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.815 1.463 3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.053 0.231 4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.533 0.993 7.389 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.005 -0.028 6.027 1.00 0.00 H new ATOM 326 N LEU A 22 -4.170 5.983 4.660 1.00 0.00 N ATOM 327 CA LEU A 22 -3.390 7.217 4.653 1.00 0.00 C ATOM 328 C LEU A 22 -3.690 8.008 3.379 1.00 0.00 C ATOM 329 O LEU A 22 -3.904 9.218 3.441 1.00 0.00 O ATOM 330 CB LEU A 22 -1.890 6.897 4.750 1.00 0.00 C ATOM 331 CG LEU A 22 -1.425 6.485 6.158 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.074 5.772 6.059 1.00 0.00 C ATOM 333 CD2 LEU A 22 -1.276 7.715 7.058 1.00 0.00 C ATOM 0 H LEU A 22 -3.608 5.134 4.708 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.667 7.822 5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.655 6.094 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.322 7.771 4.433 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.172 5.818 6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.257 5.479 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.176 4.884 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.661 6.444 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.947 7.403 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.539 8.394 6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.236 8.225 7.139 1.00 0.00 H new ATOM 345 N LEU A 23 -3.761 7.339 2.227 1.00 0.00 N ATOM 346 CA LEU A 23 -4.117 7.978 0.967 1.00 0.00 C ATOM 347 C LEU A 23 -5.552 8.509 1.012 1.00 0.00 C ATOM 348 O LEU A 23 -5.785 9.595 0.492 1.00 0.00 O ATOM 349 CB LEU A 23 -3.922 7.010 -0.212 1.00 0.00 C ATOM 350 CG LEU A 23 -2.444 6.730 -0.547 1.00 0.00 C ATOM 351 CD1 LEU A 23 -2.324 5.417 -1.332 1.00 0.00 C ATOM 352 CD2 LEU A 23 -1.807 7.876 -1.343 1.00 0.00 C ATOM 0 H LEU A 23 -3.573 6.340 2.145 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.450 8.827 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.418 6.067 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.413 7.422 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.904 6.645 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.276 5.227 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.717 4.597 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.893 5.494 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.766 7.636 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.348 8.013 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.855 8.795 -0.759 1.00 0.00 H new ATOM 364 N GLN A 24 -6.503 7.818 1.660 1.00 0.00 N ATOM 365 CA GLN A 24 -7.848 8.366 1.857 1.00 0.00 C ATOM 366 C GLN A 24 -7.790 9.657 2.679 1.00 0.00 C ATOM 367 O GLN A 24 -8.470 10.621 2.335 1.00 0.00 O ATOM 368 CB GLN A 24 -8.815 7.368 2.531 1.00 0.00 C ATOM 369 CG GLN A 24 -9.140 6.099 1.726 1.00 0.00 C ATOM 370 CD GLN A 24 -9.615 6.427 0.313 1.00 0.00 C ATOM 371 OE1 GLN A 24 -10.757 6.821 0.091 1.00 0.00 O ATOM 372 NE2 GLN A 24 -8.729 6.304 -0.661 1.00 0.00 N ATOM 0 H GLN A 24 -6.364 6.887 2.052 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.239 8.576 0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.388 7.068 3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.749 7.887 2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.254 5.466 1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.910 5.528 2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.786 5.975 -0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.989 6.538 -1.619 1.00 0.00 H new ATOM 381 N ARG A 25 -6.982 9.708 3.747 1.00 0.00 N ATOM 382 CA ARG A 25 -6.853 10.910 4.566 1.00 0.00 C ATOM 383 C ARG A 25 -6.305 12.072 3.736 1.00 0.00 C ATOM 384 O ARG A 25 -6.886 13.159 3.767 1.00 0.00 O ATOM 385 CB ARG A 25 -6.009 10.611 5.820 1.00 0.00 C ATOM 386 CG ARG A 25 -5.668 11.874 6.631 1.00 0.00 C ATOM 387 CD ARG A 25 -5.287 11.548 8.080 1.00 0.00 C ATOM 388 NE ARG A 25 -6.481 11.203 8.874 1.00 0.00 N ATOM 389 CZ ARG A 25 -6.498 10.715 10.121 1.00 0.00 C ATOM 390 NH1 ARG A 25 -5.368 10.479 10.779 1.00 0.00 N ATOM 391 NH2 ARG A 25 -7.668 10.455 10.693 1.00 0.00 N ATOM 0 H ARG A 25 -6.408 8.925 4.061 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.838 11.220 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.550 9.912 6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.084 10.118 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.844 12.401 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.524 12.549 6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.582 10.717 8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.782 12.403 8.529 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.386 11.351 8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.470 10.670 10.335 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.399 10.107 11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.534 10.627 10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.700 10.083 11.642 1.00 0.00 H new ATOM 405 N TYR A 26 -5.207 11.862 3.006 1.00 0.00 N ATOM 406 CA TYR A 26 -4.516 12.965 2.340 1.00 0.00 C ATOM 407 C TYR A 26 -5.094 13.304 0.959 1.00 0.00 C ATOM 408 O TYR A 26 -4.840 14.402 0.462 1.00 0.00 O ATOM 409 CB TYR A 26 -3.006 12.687 2.294 1.00 0.00 C ATOM 410 CG TYR A 26 -2.373 12.649 3.676 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.389 13.804 4.486 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.809 11.461 4.175 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.875 13.766 5.794 1.00 0.00 C ATOM 414 CE2 TYR A 26 -1.297 11.414 5.483 1.00 0.00 C ATOM 415 CZ TYR A 26 -1.331 12.564 6.302 1.00 0.00 C ATOM 416 OH TYR A 26 -0.831 12.505 7.568 1.00 0.00 O ATOM 0 H TYR A 26 -4.781 10.946 2.863 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.684 13.862 2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.831 11.735 1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.517 13.456 1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.799 14.725 4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.769 10.581 3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.896 14.653 6.409 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.876 10.495 5.863 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.716 11.568 7.831 1.00 0.00 H new ATOM 426 N HIS A 27 -5.879 12.416 0.342 1.00 0.00 N ATOM 427 CA HIS A 27 -6.440 12.595 -0.995 1.00 0.00 C ATOM 428 C HIS A 27 -7.821 11.900 -1.062 1.00 0.00 C ATOM 429 O HIS A 27 -7.945 10.843 -1.682 1.00 0.00 O ATOM 430 CB HIS A 27 -5.404 12.053 -2.003 1.00 0.00 C ATOM 431 CG HIS A 27 -5.543 12.509 -3.434 1.00 0.00 C ATOM 432 ND1 HIS A 27 -6.579 13.204 -4.014 1.00 0.00 N ATOM 433 CD2 HIS A 27 -4.625 12.272 -4.419 1.00 0.00 C ATOM 434 CE1 HIS A 27 -6.294 13.367 -5.317 1.00 0.00 C ATOM 435 NE2 HIS A 27 -5.106 12.812 -5.617 1.00 0.00 N ATOM 0 H HIS A 27 -6.147 11.531 0.772 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.624 13.640 -1.243 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.411 12.333 -1.652 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.452 10.964 -1.987 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -7.417 13.537 -3.538 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.685 11.754 -4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.931 13.874 -6.026 1.00 0.00 H new ATOM 443 N PRO A 28 -8.862 12.422 -0.377 1.00 0.00 N ATOM 444 CA PRO A 28 -10.162 11.756 -0.231 1.00 0.00 C ATOM 445 C PRO A 28 -10.846 11.305 -1.531 1.00 0.00 C ATOM 446 O PRO A 28 -11.634 10.358 -1.505 1.00 0.00 O ATOM 447 CB PRO A 28 -11.055 12.753 0.514 1.00 0.00 C ATOM 448 CG PRO A 28 -10.069 13.604 1.306 1.00 0.00 C ATOM 449 CD PRO A 28 -8.852 13.663 0.386 1.00 0.00 C ATOM 0 HA PRO A 28 -9.997 10.818 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.641 13.359 -0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.761 12.244 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.468 14.597 1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.827 13.152 2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.905 14.528 -0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.932 13.759 0.962 1.00 0.00 H new ATOM 457 N GLU A 29 -10.576 11.974 -2.654 1.00 0.00 N ATOM 458 CA GLU A 29 -11.193 11.666 -3.946 1.00 0.00 C ATOM 459 C GLU A 29 -10.377 10.638 -4.753 1.00 0.00 C ATOM 460 O GLU A 29 -10.756 10.281 -5.870 1.00 0.00 O ATOM 461 CB GLU A 29 -11.457 12.963 -4.738 1.00 0.00 C ATOM 462 CG GLU A 29 -10.219 13.809 -5.086 1.00 0.00 C ATOM 463 CD GLU A 29 -9.758 14.701 -3.920 1.00 0.00 C ATOM 464 OE1 GLU A 29 -8.958 14.218 -3.088 1.00 0.00 O ATOM 465 OE2 GLU A 29 -10.175 15.881 -3.848 1.00 0.00 O ATOM 0 H GLU A 29 -9.917 12.752 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.156 11.192 -3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.965 12.701 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.145 13.582 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.403 13.147 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.444 14.435 -5.949 1.00 0.00 H new ATOM 472 N LEU A 30 -9.253 10.157 -4.215 1.00 0.00 N ATOM 473 CA LEU A 30 -8.449 9.100 -4.814 1.00 0.00 C ATOM 474 C LEU A 30 -9.085 7.759 -4.452 1.00 0.00 C ATOM 475 O LEU A 30 -9.308 7.484 -3.267 1.00 0.00 O ATOM 476 CB LEU A 30 -7.023 9.217 -4.262 1.00 0.00 C ATOM 477 CG LEU A 30 -5.962 8.396 -5.006 1.00 0.00 C ATOM 478 CD1 LEU A 30 -5.730 8.935 -6.423 1.00 0.00 C ATOM 479 CD2 LEU A 30 -4.665 8.475 -4.191 1.00 0.00 C ATOM 0 H LEU A 30 -8.873 10.501 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.408 9.182 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.728 10.266 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.030 8.909 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.298 7.364 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.973 8.331 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.662 8.888 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.391 9.969 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.885 7.901 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.351 9.515 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.835 8.065 -3.196 1.00 0.00 H new ATOM 491 N LYS A 31 -9.377 6.915 -5.445 1.00 0.00 N ATOM 492 CA LYS A 31 -9.939 5.598 -5.167 1.00 0.00 C ATOM 493 C LYS A 31 -8.748 4.685 -4.911 1.00 0.00 C ATOM 494 O LYS A 31 -7.913 4.511 -5.799 1.00 0.00 O ATOM 495 CB LYS A 31 -10.789 5.133 -6.364 1.00 0.00 C ATOM 496 CG LYS A 31 -11.361 3.707 -6.230 1.00 0.00 C ATOM 497 CD LYS A 31 -12.296 3.474 -5.030 1.00 0.00 C ATOM 498 CE LYS A 31 -13.541 4.374 -5.084 1.00 0.00 C ATOM 499 NZ LYS A 31 -14.489 4.092 -3.977 1.00 0.00 N ATOM 0 H LYS A 31 -9.235 7.119 -6.434 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.604 5.597 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.616 5.831 -6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.180 5.183 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.905 3.466 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.529 3.006 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.605 2.429 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.752 3.664 -4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.233 5.419 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.048 4.232 -6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.312 4.723 -4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.805 3.103 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.015 4.253 -3.065 1.00 0.00 H new ATOM 513 N VAL A 32 -8.660 4.101 -3.718 1.00 0.00 N ATOM 514 CA VAL A 32 -7.581 3.191 -3.369 1.00 0.00 C ATOM 515 C VAL A 32 -8.211 2.021 -2.621 1.00 0.00 C ATOM 516 O VAL A 32 -9.076 2.234 -1.768 1.00 0.00 O ATOM 517 CB VAL A 32 -6.493 3.893 -2.523 1.00 0.00 C ATOM 518 CG1 VAL A 32 -5.219 3.038 -2.490 1.00 0.00 C ATOM 519 CG2 VAL A 32 -6.106 5.289 -3.038 1.00 0.00 C ATOM 0 H VAL A 32 -9.336 4.248 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.072 2.839 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.929 4.012 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.459 3.541 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.444 2.067 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.848 2.898 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.338 5.715 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.721 5.208 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.984 5.935 -3.033 1.00 0.00 H new ATOM 529 N GLU A 33 -7.762 0.806 -2.925 1.00 0.00 N ATOM 530 CA GLU A 33 -8.104 -0.391 -2.163 1.00 0.00 C ATOM 531 C GLU A 33 -6.826 -1.221 -1.954 1.00 0.00 C ATOM 532 O GLU A 33 -5.747 -0.837 -2.419 1.00 0.00 O ATOM 533 CB GLU A 33 -9.227 -1.181 -2.864 1.00 0.00 C ATOM 534 CG GLU A 33 -10.556 -0.410 -2.909 1.00 0.00 C ATOM 535 CD GLU A 33 -11.722 -1.293 -3.382 1.00 0.00 C ATOM 536 OE1 GLU A 33 -11.842 -1.532 -4.603 1.00 0.00 O ATOM 537 OE2 GLU A 33 -12.532 -1.741 -2.537 1.00 0.00 O ATOM 0 H GLU A 33 -7.144 0.623 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.497 -0.121 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.916 -1.421 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.378 -2.128 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.780 -0.016 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.456 0.445 -3.577 1.00 0.00 H new ATOM 544 N SER A 34 -6.948 -2.365 -1.275 1.00 0.00 N ATOM 545 CA SER A 34 -5.806 -3.155 -0.822 1.00 0.00 C ATOM 546 C SER A 34 -5.929 -4.611 -1.281 1.00 0.00 C ATOM 547 O SER A 34 -7.041 -5.080 -1.535 1.00 0.00 O ATOM 548 CB SER A 34 -5.766 -3.095 0.707 1.00 0.00 C ATOM 549 OG SER A 34 -5.546 -1.780 1.157 1.00 0.00 O ATOM 0 H SER A 34 -7.850 -2.770 -1.024 1.00 0.00 H new ATOM 0 HA SER A 34 -4.889 -2.749 -1.249 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.706 -3.469 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.976 -3.747 1.079 1.00 0.00 H new ATOM 0 HG SER A 34 -6.264 -1.198 0.830 1.00 0.00 H new ATOM 555 N ALA A 35 -4.802 -5.317 -1.379 1.00 0.00 N ATOM 556 CA ALA A 35 -4.738 -6.759 -1.601 1.00 0.00 C ATOM 557 C ALA A 35 -3.403 -7.273 -1.024 1.00 0.00 C ATOM 558 O ALA A 35 -2.614 -6.501 -0.454 1.00 0.00 O ATOM 559 CB ALA A 35 -4.852 -7.068 -3.103 1.00 0.00 C ATOM 0 H ALA A 35 -3.881 -4.886 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.566 -7.261 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.803 -8.146 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.802 -6.690 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.032 -6.587 -3.637 1.00 0.00 H new ATOM 565 N GLY A 36 -3.100 -8.562 -1.201 1.00 0.00 N ATOM 566 CA GLY A 36 -1.781 -9.077 -0.866 1.00 0.00 C ATOM 567 C GLY A 36 -1.305 -10.244 -1.714 1.00 0.00 C ATOM 568 O GLY A 36 -2.110 -11.005 -2.250 1.00 0.00 O ATOM 0 H GLY A 36 -3.747 -9.258 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.059 -8.266 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.785 -9.386 0.179 1.00 0.00 H new ATOM 572 N LEU A 37 0.026 -10.353 -1.804 1.00 0.00 N ATOM 573 CA LEU A 37 0.734 -11.358 -2.608 1.00 0.00 C ATOM 574 C LEU A 37 0.460 -12.772 -2.099 1.00 0.00 C ATOM 575 O LEU A 37 0.357 -13.707 -2.893 1.00 0.00 O ATOM 576 CB LEU A 37 2.255 -11.105 -2.550 1.00 0.00 C ATOM 577 CG LEU A 37 2.734 -9.753 -3.115 1.00 0.00 C ATOM 578 CD1 LEU A 37 4.233 -9.595 -2.861 1.00 0.00 C ATOM 579 CD2 LEU A 37 2.468 -9.603 -4.616 1.00 0.00 C ATOM 0 H LEU A 37 0.659 -9.727 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 37 0.372 -11.272 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.577 -11.177 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.758 -11.904 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 37 2.165 -8.978 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.571 -8.639 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.426 -9.629 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.773 -10.405 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.827 -8.631 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.990 -10.391 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.397 -9.680 -4.805 1.00 0.00 H new ATOM 591 N GLY A 38 0.335 -12.896 -0.779 1.00 0.00 N ATOM 592 CA GLY A 38 0.034 -14.139 -0.085 1.00 0.00 C ATOM 593 C GLY A 38 -0.923 -13.750 1.027 1.00 0.00 C ATOM 594 O GLY A 38 -0.549 -13.734 2.201 1.00 0.00 O ATOM 0 H GLY A 38 0.445 -12.105 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.419 -14.867 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.939 -14.596 0.316 1.00 0.00 H new ATOM 598 N ALA A 39 -2.091 -13.247 0.624 1.00 0.00 N ATOM 599 CA ALA A 39 -3.041 -12.625 1.530 1.00 0.00 C ATOM 600 C ALA A 39 -3.719 -13.652 2.435 1.00 0.00 C ATOM 601 O ALA A 39 -3.659 -14.863 2.204 1.00 0.00 O ATOM 602 CB ALA A 39 -4.109 -11.892 0.722 1.00 0.00 C ATOM 0 H ALA A 39 -2.401 -13.263 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.490 -11.927 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.822 -11.425 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.638 -11.125 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.631 -12.602 0.080 1.00 0.00 H new ATOM 608 N LEU A 40 -4.452 -13.127 3.415 1.00 0.00 N ATOM 609 CA LEU A 40 -5.221 -13.914 4.367 1.00 0.00 C ATOM 610 C LEU A 40 -6.679 -13.524 4.152 1.00 0.00 C ATOM 611 O LEU A 40 -7.207 -12.670 4.862 1.00 0.00 O ATOM 612 CB LEU A 40 -4.728 -13.636 5.799 1.00 0.00 C ATOM 613 CG LEU A 40 -3.265 -14.041 6.077 1.00 0.00 C ATOM 614 CD1 LEU A 40 -2.894 -13.641 7.508 1.00 0.00 C ATOM 615 CD2 LEU A 40 -3.021 -15.544 5.896 1.00 0.00 C ATOM 0 H LEU A 40 -4.527 -12.122 3.569 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.103 -14.987 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.840 -12.571 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.375 -14.166 6.499 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.641 -13.520 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.861 -13.925 7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.003 -12.563 7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.554 -14.150 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.975 -15.771 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.657 -16.101 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.257 -15.830 4.871 1.00 0.00 H new ATOM 627 N VAL A 41 -7.281 -14.067 3.091 1.00 0.00 N ATOM 628 CA VAL A 41 -8.633 -13.719 2.656 1.00 0.00 C ATOM 629 C VAL A 41 -9.609 -13.640 3.845 1.00 0.00 C ATOM 630 O VAL A 41 -9.777 -14.608 4.590 1.00 0.00 O ATOM 631 CB VAL A 41 -9.113 -14.703 1.562 1.00 0.00 C ATOM 632 CG1 VAL A 41 -10.404 -14.197 0.899 1.00 0.00 C ATOM 633 CG2 VAL A 41 -8.056 -14.914 0.461 1.00 0.00 C ATOM 0 H VAL A 41 -6.835 -14.771 2.502 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.610 -12.722 2.216 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.292 -15.653 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.722 -14.905 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.186 -14.101 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.221 -13.225 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.440 -15.612 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.833 -13.960 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.146 -15.319 0.903 1.00 0.00 H new ATOM 643 N GLY A 42 -10.245 -12.474 4.014 1.00 0.00 N ATOM 644 CA GLY A 42 -11.282 -12.256 5.020 1.00 0.00 C ATOM 645 C GLY A 42 -10.774 -12.119 6.461 1.00 0.00 C ATOM 646 O GLY A 42 -11.598 -11.991 7.369 1.00 0.00 O ATOM 0 H GLY A 42 -10.049 -11.649 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.835 -11.354 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.987 -13.086 4.978 1.00 0.00 H new ATOM 650 N LYS A 43 -9.456 -12.146 6.708 1.00 0.00 N ATOM 651 CA LYS A 43 -8.919 -12.202 8.073 1.00 0.00 C ATOM 652 C LYS A 43 -9.025 -10.870 8.833 1.00 0.00 C ATOM 653 O LYS A 43 -8.880 -10.871 10.057 1.00 0.00 O ATOM 654 CB LYS A 43 -7.478 -12.743 8.011 1.00 0.00 C ATOM 655 CG LYS A 43 -6.928 -13.267 9.350 1.00 0.00 C ATOM 656 CD LYS A 43 -5.895 -12.334 9.997 1.00 0.00 C ATOM 657 CE LYS A 43 -5.491 -12.908 11.364 1.00 0.00 C ATOM 658 NZ LYS A 43 -4.483 -12.071 12.063 1.00 0.00 N ATOM 0 H LYS A 43 -8.743 -12.130 5.979 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.536 -12.884 8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.438 -13.548 7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.822 -11.951 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.758 -13.413 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.472 -14.244 9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.019 -12.238 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.313 -11.334 10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.378 -13.000 11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.091 -13.913 11.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.247 -12.504 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.624 -12.003 11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.871 -11.119 12.220 1.00 0.00 H new ATOM 672 N GLY A 44 -9.309 -9.748 8.160 1.00 0.00 N ATOM 673 CA GLY A 44 -9.375 -8.433 8.797 1.00 0.00 C ATOM 674 C GLY A 44 -7.996 -7.775 8.865 1.00 0.00 C ATOM 675 O GLY A 44 -6.973 -8.432 8.658 1.00 0.00 O ATOM 0 H GLY A 44 -9.499 -9.730 7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.059 -7.792 8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.781 -8.535 9.803 1.00 0.00 H new ATOM 679 N ALA A 45 -7.968 -6.463 9.131 1.00 0.00 N ATOM 680 CA ALA A 45 -6.719 -5.725 9.297 1.00 0.00 C ATOM 681 C ALA A 45 -6.000 -6.178 10.580 1.00 0.00 C ATOM 682 O ALA A 45 -6.633 -6.631 11.537 1.00 0.00 O ATOM 683 CB ALA A 45 -6.999 -4.216 9.304 1.00 0.00 C ATOM 0 H ALA A 45 -8.806 -5.891 9.236 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.058 -5.938 8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.062 -3.673 9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.463 -3.928 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.671 -3.974 10.128 1.00 0.00 H new ATOM 689 N ASP A 46 -4.673 -6.058 10.588 1.00 0.00 N ATOM 690 CA ASP A 46 -3.825 -6.546 11.674 1.00 0.00 C ATOM 691 C ASP A 46 -4.027 -5.724 12.962 1.00 0.00 C ATOM 692 O ASP A 46 -4.011 -4.493 12.886 1.00 0.00 O ATOM 693 CB ASP A 46 -2.362 -6.472 11.223 1.00 0.00 C ATOM 694 CG ASP A 46 -1.429 -6.923 12.343 1.00 0.00 C ATOM 695 OD1 ASP A 46 -1.080 -6.088 13.204 1.00 0.00 O ATOM 696 OD2 ASP A 46 -1.061 -8.114 12.401 1.00 0.00 O ATOM 0 H ASP A 46 -4.151 -5.614 9.832 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.099 -7.576 11.901 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.215 -7.101 10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.118 -5.451 10.929 1.00 0.00 H new ATOM 701 N PRO A 47 -4.194 -6.349 14.146 1.00 0.00 N ATOM 702 CA PRO A 47 -4.417 -5.641 15.407 1.00 0.00 C ATOM 703 C PRO A 47 -3.373 -4.572 15.750 1.00 0.00 C ATOM 704 O PRO A 47 -3.726 -3.524 16.294 1.00 0.00 O ATOM 705 CB PRO A 47 -4.440 -6.724 16.492 1.00 0.00 C ATOM 706 CG PRO A 47 -4.915 -7.964 15.744 1.00 0.00 C ATOM 707 CD PRO A 47 -4.304 -7.785 14.356 1.00 0.00 C ATOM 0 HA PRO A 47 -5.348 -5.080 15.328 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.454 -6.873 16.932 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.116 -6.463 17.306 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.569 -8.881 16.222 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.003 -8.018 15.702 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.327 -8.264 14.296 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.931 -8.244 13.592 1.00 0.00 H new ATOM 715 N THR A 48 -2.093 -4.804 15.462 1.00 0.00 N ATOM 716 CA THR A 48 -1.041 -3.868 15.828 1.00 0.00 C ATOM 717 C THR A 48 -0.978 -2.748 14.784 1.00 0.00 C ATOM 718 O THR A 48 -0.761 -1.595 15.165 1.00 0.00 O ATOM 719 CB THR A 48 0.290 -4.619 15.989 1.00 0.00 C ATOM 720 OG1 THR A 48 0.107 -5.809 16.746 1.00 0.00 O ATOM 721 CG2 THR A 48 1.347 -3.780 16.708 1.00 0.00 C ATOM 0 H THR A 48 -1.763 -5.637 14.974 1.00 0.00 H new ATOM 0 HA THR A 48 -1.255 -3.402 16.790 1.00 0.00 H new ATOM 0 HB THR A 48 0.632 -4.845 14.979 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.969 -6.103 17.107 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.269 -4.355 16.797 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.540 -2.871 16.138 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.987 -3.515 17.702 1.00 0.00 H new ATOM 729 N ALA A 49 -1.265 -3.038 13.506 1.00 0.00 N ATOM 730 CA ALA A 49 -1.440 -2.001 12.495 1.00 0.00 C ATOM 731 C ALA A 49 -2.591 -1.068 12.889 1.00 0.00 C ATOM 732 O ALA A 49 -2.431 0.152 12.868 1.00 0.00 O ATOM 733 CB ALA A 49 -1.693 -2.627 11.120 1.00 0.00 C ATOM 0 H ALA A 49 -1.380 -3.988 13.154 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.524 -1.413 12.435 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.821 -1.838 10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.844 -3.251 10.842 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.595 -3.238 11.159 1.00 0.00 H new ATOM 739 N ILE A 50 -3.731 -1.635 13.304 1.00 0.00 N ATOM 740 CA ILE A 50 -4.861 -0.865 13.819 1.00 0.00 C ATOM 741 C ILE A 50 -4.389 -0.047 15.025 1.00 0.00 C ATOM 742 O ILE A 50 -4.710 1.134 15.097 1.00 0.00 O ATOM 743 CB ILE A 50 -6.044 -1.797 14.178 1.00 0.00 C ATOM 744 CG1 ILE A 50 -6.646 -2.480 12.927 1.00 0.00 C ATOM 745 CG2 ILE A 50 -7.166 -1.038 14.920 1.00 0.00 C ATOM 746 CD1 ILE A 50 -7.477 -3.725 13.266 1.00 0.00 C ATOM 0 H ILE A 50 -3.892 -2.642 13.290 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.226 -0.181 13.053 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.631 -2.562 14.835 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.274 -1.765 12.396 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.840 -2.761 12.250 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.978 -1.727 15.154 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.770 -0.616 15.844 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.543 -0.235 14.286 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.872 -4.160 12.348 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.847 -4.457 13.772 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.303 -3.444 13.920 1.00 0.00 H new ATOM 758 N SER A 51 -3.626 -0.631 15.953 1.00 0.00 N ATOM 759 CA SER A 51 -3.211 0.060 17.169 1.00 0.00 C ATOM 760 C SER A 51 -2.361 1.299 16.855 1.00 0.00 C ATOM 761 O SER A 51 -2.642 2.377 17.382 1.00 0.00 O ATOM 762 CB SER A 51 -2.472 -0.907 18.104 1.00 0.00 C ATOM 763 OG SER A 51 -3.303 -1.994 18.476 1.00 0.00 O ATOM 0 H SER A 51 -3.283 -1.589 15.881 1.00 0.00 H new ATOM 0 HA SER A 51 -4.106 0.414 17.680 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.576 -1.283 17.609 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.143 -0.375 18.997 1.00 0.00 H new ATOM 0 HG SER A 51 -3.289 -2.673 17.770 1.00 0.00 H new ATOM 769 N VAL A 52 -1.354 1.197 15.977 1.00 0.00 N ATOM 770 CA VAL A 52 -0.549 2.367 15.617 1.00 0.00 C ATOM 771 C VAL A 52 -1.387 3.384 14.838 1.00 0.00 C ATOM 772 O VAL A 52 -1.205 4.584 15.033 1.00 0.00 O ATOM 773 CB VAL A 52 0.767 1.999 14.902 1.00 0.00 C ATOM 774 CG1 VAL A 52 1.641 1.145 15.831 1.00 0.00 C ATOM 775 CG2 VAL A 52 0.591 1.282 13.558 1.00 0.00 C ATOM 0 H VAL A 52 -1.082 0.331 15.511 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.238 2.844 16.546 1.00 0.00 H new ATOM 0 HB VAL A 52 1.249 2.949 14.669 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.570 0.887 15.322 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.868 1.708 16.736 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.107 0.232 16.096 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.570 1.064 13.131 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.046 0.350 13.711 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.031 1.921 12.875 1.00 0.00 H new ATOM 785 N ALA A 53 -2.347 2.946 14.014 1.00 0.00 N ATOM 786 CA ALA A 53 -3.207 3.870 13.289 1.00 0.00 C ATOM 787 C ALA A 53 -4.204 4.559 14.229 1.00 0.00 C ATOM 788 O ALA A 53 -4.543 5.724 14.017 1.00 0.00 O ATOM 789 CB ALA A 53 -3.926 3.119 12.174 1.00 0.00 C ATOM 0 H ALA A 53 -2.542 1.960 13.838 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.592 4.655 12.849 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.571 3.808 11.629 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.192 2.692 11.491 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.530 2.320 12.604 1.00 0.00 H new ATOM 795 N ALA A 54 -4.643 3.882 15.295 1.00 0.00 N ATOM 796 CA ALA A 54 -5.505 4.464 16.309 1.00 0.00 C ATOM 797 C ALA A 54 -4.762 5.549 17.088 1.00 0.00 C ATOM 798 O ALA A 54 -5.378 6.545 17.458 1.00 0.00 O ATOM 799 CB ALA A 54 -6.025 3.376 17.254 1.00 0.00 C ATOM 0 H ALA A 54 -4.404 2.907 15.473 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.359 4.927 15.815 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.669 3.827 18.009 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.593 2.640 16.684 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.183 2.885 17.742 1.00 0.00 H new ATOM 805 N GLU A 55 -3.441 5.433 17.263 1.00 0.00 N ATOM 806 CA GLU A 55 -2.627 6.510 17.839 1.00 0.00 C ATOM 807 C GLU A 55 -2.709 7.809 17.004 1.00 0.00 C ATOM 808 O GLU A 55 -2.413 8.892 17.509 1.00 0.00 O ATOM 809 CB GLU A 55 -1.178 6.020 18.018 1.00 0.00 C ATOM 810 CG GLU A 55 -0.414 6.820 19.083 1.00 0.00 C ATOM 811 CD GLU A 55 1.003 6.269 19.306 1.00 0.00 C ATOM 812 OE1 GLU A 55 1.137 5.140 19.833 1.00 0.00 O ATOM 813 OE2 GLU A 55 1.992 6.966 18.985 1.00 0.00 O ATOM 0 H GLU A 55 -2.910 4.599 17.012 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.028 6.765 18.820 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.186 4.966 18.296 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.652 6.094 17.066 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.354 7.865 18.778 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.966 6.793 20.023 1.00 0.00 H new ATOM 820 N HIS A 56 -3.180 7.716 15.754 1.00 0.00 N ATOM 821 CA HIS A 56 -3.414 8.824 14.830 1.00 0.00 C ATOM 822 C HIS A 56 -4.896 8.915 14.422 1.00 0.00 C ATOM 823 O HIS A 56 -5.226 9.608 13.456 1.00 0.00 O ATOM 824 CB HIS A 56 -2.511 8.630 13.610 1.00 0.00 C ATOM 825 CG HIS A 56 -1.039 8.657 13.943 1.00 0.00 C ATOM 826 ND1 HIS A 56 -0.294 9.766 14.283 1.00 0.00 N ATOM 827 CD2 HIS A 56 -0.198 7.579 13.993 1.00 0.00 C ATOM 828 CE1 HIS A 56 0.962 9.362 14.531 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.075 8.031 14.368 1.00 0.00 N ATOM 0 H HIS A 56 -3.420 6.815 15.341 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.172 9.767 15.321 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.751 7.678 13.137 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.725 9.411 12.881 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.468 6.555 13.780 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.771 10.016 14.822 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.915 7.466 14.492 1.00 0.00 H new ATOM 837 N GLN A 57 -5.783 8.232 15.161 1.00 0.00 N ATOM 838 CA GLN A 57 -7.226 8.213 14.921 1.00 0.00 C ATOM 839 C GLN A 57 -7.564 7.985 13.443 1.00 0.00 C ATOM 840 O GLN A 57 -8.291 8.777 12.839 1.00 0.00 O ATOM 841 CB GLN A 57 -7.879 9.485 15.510 1.00 0.00 C ATOM 842 CG GLN A 57 -7.683 9.672 17.023 1.00 0.00 C ATOM 843 CD GLN A 57 -8.478 8.651 17.837 1.00 0.00 C ATOM 844 OE1 GLN A 57 -9.642 8.864 18.173 1.00 0.00 O ATOM 845 NE2 GLN A 57 -7.881 7.518 18.165 1.00 0.00 N ATOM 0 H GLN A 57 -5.505 7.664 15.962 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.654 7.357 15.443 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.473 10.356 14.995 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.948 9.459 15.297 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.624 9.582 17.265 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.990 10.679 17.306 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.916 7.350 17.882 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.386 6.812 18.701 1.00 0.00 H new ATOM 854 N LEU A 58 -7.024 6.916 12.850 1.00 0.00 N ATOM 855 CA LEU A 58 -7.376 6.505 11.495 1.00 0.00 C ATOM 856 C LEU A 58 -7.768 5.029 11.552 1.00 0.00 C ATOM 857 O LEU A 58 -6.952 4.181 11.911 1.00 0.00 O ATOM 858 CB LEU A 58 -6.205 6.767 10.527 1.00 0.00 C ATOM 859 CG LEU A 58 -6.660 7.134 9.100 1.00 0.00 C ATOM 860 CD1 LEU A 58 -5.441 7.182 8.173 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.724 6.192 8.522 1.00 0.00 C ATOM 0 H LEU A 58 -6.332 6.315 13.298 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.216 7.085 11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.590 7.575 10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.575 5.879 10.482 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.134 8.113 9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.761 7.441 7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.738 7.932 8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.955 6.206 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.991 6.518 7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.328 5.177 8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.610 6.211 9.156 1.00 0.00 H new ATOM 873 N SER A 59 -9.030 4.723 11.260 1.00 0.00 N ATOM 874 CA SER A 59 -9.569 3.378 11.383 1.00 0.00 C ATOM 875 C SER A 59 -9.139 2.515 10.185 1.00 0.00 C ATOM 876 O SER A 59 -9.700 2.641 9.090 1.00 0.00 O ATOM 877 CB SER A 59 -11.099 3.453 11.498 1.00 0.00 C ATOM 878 OG SER A 59 -11.481 4.358 12.526 1.00 0.00 O ATOM 0 H SER A 59 -9.709 5.409 10.929 1.00 0.00 H new ATOM 0 HA SER A 59 -9.174 2.907 12.283 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.525 3.774 10.547 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.502 2.463 11.710 1.00 0.00 H new ATOM 0 HG SER A 59 -12.459 4.394 12.583 1.00 0.00 H new ATOM 884 N LEU A 60 -8.143 1.638 10.368 1.00 0.00 N ATOM 885 CA LEU A 60 -7.812 0.623 9.356 1.00 0.00 C ATOM 886 C LEU A 60 -8.897 -0.451 9.294 1.00 0.00 C ATOM 887 O LEU A 60 -9.085 -1.070 8.248 1.00 0.00 O ATOM 888 CB LEU A 60 -6.462 -0.068 9.604 1.00 0.00 C ATOM 889 CG LEU A 60 -5.238 0.849 9.742 1.00 0.00 C ATOM 890 CD1 LEU A 60 -3.975 -0.015 9.737 1.00 0.00 C ATOM 891 CD2 LEU A 60 -5.134 1.921 8.653 1.00 0.00 C ATOM 0 H LEU A 60 -7.555 1.610 11.201 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.746 1.163 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.546 -0.664 10.513 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.278 -0.762 8.784 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.350 1.389 10.682 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.097 0.624 9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.009 -0.715 10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.918 -0.570 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.243 2.526 8.822 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.067 1.442 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.017 2.559 8.685 1.00 0.00 H new ATOM 903 N GLU A 61 -9.593 -0.680 10.414 1.00 0.00 N ATOM 904 CA GLU A 61 -10.711 -1.616 10.478 1.00 0.00 C ATOM 905 C GLU A 61 -11.801 -1.201 9.476 1.00 0.00 C ATOM 906 O GLU A 61 -11.904 -0.032 9.087 1.00 0.00 O ATOM 907 CB GLU A 61 -11.240 -1.700 11.927 1.00 0.00 C ATOM 908 CG GLU A 61 -11.295 -3.138 12.469 1.00 0.00 C ATOM 909 CD GLU A 61 -12.383 -3.996 11.802 1.00 0.00 C ATOM 910 OE1 GLU A 61 -12.174 -4.450 10.655 1.00 0.00 O ATOM 911 OE2 GLU A 61 -13.451 -4.220 12.417 1.00 0.00 O ATOM 0 H GLU A 61 -9.393 -0.218 11.301 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.378 -2.615 10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.603 -1.098 12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.238 -1.264 11.968 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.325 -3.613 12.320 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.474 -3.108 13.544 1.00 0.00 H new ATOM 918 N GLY A 62 -12.616 -2.172 9.065 1.00 0.00 N ATOM 919 CA GLY A 62 -13.555 -2.003 7.965 1.00 0.00 C ATOM 920 C GLY A 62 -12.855 -2.303 6.641 1.00 0.00 C ATOM 921 O GLY A 62 -12.988 -1.536 5.686 1.00 0.00 O ATOM 0 H GLY A 62 -12.641 -3.099 9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.408 -2.669 8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -13.944 -0.985 7.959 1.00 0.00 H new ATOM 925 N HIS A 63 -12.046 -3.364 6.605 1.00 0.00 N ATOM 926 CA HIS A 63 -11.389 -3.880 5.413 1.00 0.00 C ATOM 927 C HIS A 63 -11.458 -5.409 5.475 1.00 0.00 C ATOM 928 O HIS A 63 -11.451 -5.986 6.568 1.00 0.00 O ATOM 929 CB HIS A 63 -9.934 -3.378 5.346 1.00 0.00 C ATOM 930 CG HIS A 63 -9.134 -3.993 4.218 1.00 0.00 C ATOM 931 ND1 HIS A 63 -9.452 -3.962 2.876 1.00 0.00 N ATOM 932 CD2 HIS A 63 -8.022 -4.785 4.347 1.00 0.00 C ATOM 933 CE1 HIS A 63 -8.571 -4.740 2.224 1.00 0.00 C ATOM 934 NE2 HIS A 63 -7.660 -5.249 3.076 1.00 0.00 N ATOM 0 H HIS A 63 -11.825 -3.905 7.441 1.00 0.00 H new ATOM 0 HA HIS A 63 -11.885 -3.528 4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.937 -2.294 5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.439 -3.596 6.292 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -10.220 -3.441 2.453 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.512 -5.012 5.271 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -8.591 -4.931 1.161 1.00 0.00 H new ATOM 942 N CYS A 64 -11.478 -6.051 4.306 1.00 0.00 N ATOM 943 CA CYS A 64 -11.453 -7.500 4.180 1.00 0.00 C ATOM 944 C CYS A 64 -10.290 -7.830 3.248 1.00 0.00 C ATOM 945 O CYS A 64 -10.316 -7.465 2.069 1.00 0.00 O ATOM 946 CB CYS A 64 -12.786 -8.015 3.616 1.00 0.00 C ATOM 947 SG CYS A 64 -14.161 -7.627 4.740 1.00 0.00 S ATOM 0 H CYS A 64 -11.513 -5.567 3.409 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.319 -7.983 5.148 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.971 -7.565 2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.729 -9.093 3.464 1.00 0.00 H new ATOM 0 HG CYS A 64 -15.273 -8.073 4.235 1.00 0.00 H new ATOM 953 N ALA A 65 -9.266 -8.491 3.794 1.00 0.00 N ATOM 954 CA ALA A 65 -8.087 -8.885 3.036 1.00 0.00 C ATOM 955 C ALA A 65 -8.467 -9.869 1.922 1.00 0.00 C ATOM 956 O ALA A 65 -9.484 -10.561 2.024 1.00 0.00 O ATOM 957 CB ALA A 65 -7.060 -9.491 4.003 1.00 0.00 C ATOM 0 H ALA A 65 -9.236 -8.766 4.776 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.645 -8.014 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.171 -9.791 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.786 -8.750 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.493 -10.363 4.494 1.00 0.00 H new ATOM 963 N ARG A 66 -7.654 -9.939 0.864 1.00 0.00 N ATOM 964 CA ARG A 66 -7.972 -10.689 -0.353 1.00 0.00 C ATOM 965 C ARG A 66 -6.697 -10.939 -1.159 1.00 0.00 C ATOM 966 O ARG A 66 -5.800 -10.095 -1.214 1.00 0.00 O ATOM 967 CB ARG A 66 -9.029 -9.935 -1.190 1.00 0.00 C ATOM 968 CG ARG A 66 -8.605 -8.511 -1.581 1.00 0.00 C ATOM 969 CD ARG A 66 -9.725 -7.750 -2.293 1.00 0.00 C ATOM 970 NE ARG A 66 -9.245 -6.398 -2.593 1.00 0.00 N ATOM 971 CZ ARG A 66 -9.711 -5.538 -3.498 1.00 0.00 C ATOM 972 NH1 ARG A 66 -10.851 -5.746 -4.147 1.00 0.00 N ATOM 973 NH2 ARG A 66 -8.988 -4.457 -3.747 1.00 0.00 N ATOM 0 H ARG A 66 -6.748 -9.472 0.829 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.395 -11.655 -0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.236 -10.505 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.960 -9.885 -0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.308 -7.964 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.731 -8.559 -2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.009 -8.264 -3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.614 -7.706 -1.664 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.453 -6.074 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.399 -6.585 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.178 -5.066 -4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.108 -4.307 -3.253 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.311 -3.775 -4.433 1.00 0.00 H new ATOM 987 N GLN A 67 -6.621 -12.121 -1.764 1.00 0.00 N ATOM 988 CA GLN A 67 -5.465 -12.572 -2.523 1.00 0.00 C ATOM 989 C GLN A 67 -5.410 -11.823 -3.846 1.00 0.00 C ATOM 990 O GLN A 67 -6.416 -11.760 -4.556 1.00 0.00 O ATOM 991 CB GLN A 67 -5.614 -14.098 -2.676 1.00 0.00 C ATOM 992 CG GLN A 67 -4.548 -14.798 -3.523 1.00 0.00 C ATOM 993 CD GLN A 67 -3.120 -14.466 -3.097 1.00 0.00 C ATOM 994 OE1 GLN A 67 -2.784 -14.487 -1.917 1.00 0.00 O ATOM 995 NE2 GLN A 67 -2.259 -14.129 -4.040 1.00 0.00 N ATOM 0 H GLN A 67 -7.378 -12.804 -1.738 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.517 -12.364 -2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.610 -14.544 -1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.590 -14.305 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.696 -15.876 -3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.682 -14.517 -4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.552 -14.116 -5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.301 -13.882 -3.791 1.00 0.00 H new ATOM 1004 N ILE A 68 -4.240 -11.267 -4.176 1.00 0.00 N ATOM 1005 CA ILE A 68 -4.006 -10.674 -5.484 1.00 0.00 C ATOM 1006 C ILE A 68 -4.222 -11.755 -6.546 1.00 0.00 C ATOM 1007 O ILE A 68 -3.872 -12.926 -6.354 1.00 0.00 O ATOM 1008 CB ILE A 68 -2.605 -10.011 -5.546 1.00 0.00 C ATOM 1009 CG1 ILE A 68 -2.389 -9.125 -6.792 1.00 0.00 C ATOM 1010 CG2 ILE A 68 -1.471 -11.042 -5.496 1.00 0.00 C ATOM 1011 CD1 ILE A 68 -3.317 -7.909 -6.835 1.00 0.00 C ATOM 0 H ILE A 68 -3.439 -11.218 -3.546 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.713 -9.867 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.576 -9.377 -4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.354 -8.785 -6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.545 -9.725 -7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.510 -10.529 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.535 -11.609 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.560 -11.722 -6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.114 -7.328 -7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.354 -8.243 -6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.144 -7.288 -5.956 1.00 0.00 H new ATOM 1023 N SER A 69 -4.816 -11.361 -7.662 1.00 0.00 N ATOM 1024 CA SER A 69 -5.061 -12.224 -8.810 1.00 0.00 C ATOM 1025 C SER A 69 -5.145 -11.313 -10.042 1.00 0.00 C ATOM 1026 O SER A 69 -5.327 -10.099 -9.893 1.00 0.00 O ATOM 1027 CB SER A 69 -6.347 -13.023 -8.536 1.00 0.00 C ATOM 1028 OG SER A 69 -6.066 -14.075 -7.629 1.00 0.00 O ATOM 0 H SER A 69 -5.150 -10.407 -7.799 1.00 0.00 H new ATOM 0 HA SER A 69 -4.271 -12.953 -8.988 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.114 -12.368 -8.123 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.742 -13.428 -9.468 1.00 0.00 H new ATOM 0 HG SER A 69 -5.272 -13.848 -7.101 1.00 0.00 H new ATOM 1034 N ARG A 70 -4.992 -11.848 -11.260 1.00 0.00 N ATOM 1035 CA ARG A 70 -4.908 -11.016 -12.471 1.00 0.00 C ATOM 1036 C ARG A 70 -6.168 -10.167 -12.656 1.00 0.00 C ATOM 1037 O ARG A 70 -6.062 -9.019 -13.081 1.00 0.00 O ATOM 1038 CB ARG A 70 -4.621 -11.888 -13.712 1.00 0.00 C ATOM 1039 CG ARG A 70 -4.229 -11.087 -14.973 1.00 0.00 C ATOM 1040 CD ARG A 70 -2.814 -10.490 -14.936 1.00 0.00 C ATOM 1041 NE ARG A 70 -1.774 -11.532 -15.026 1.00 0.00 N ATOM 1042 CZ ARG A 70 -1.283 -12.079 -16.147 1.00 0.00 C ATOM 1043 NH1 ARG A 70 -1.659 -11.667 -17.356 1.00 0.00 N ATOM 1044 NH2 ARG A 70 -0.381 -13.047 -16.039 1.00 0.00 N ATOM 0 H ARG A 70 -4.924 -12.851 -11.435 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.074 -10.325 -12.349 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.818 -12.585 -13.474 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.505 -12.485 -13.935 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.311 -11.739 -15.842 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.947 -10.279 -15.112 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.695 -9.787 -15.760 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.683 -9.925 -14.013 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.389 -11.871 -14.145 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.340 -10.914 -17.449 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.266 -12.105 -18.189 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.076 -13.359 -15.117 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.007 -13.478 -16.878 1.00 0.00 H new ATOM 1058 N ARG A 71 -7.347 -10.681 -12.285 1.00 0.00 N ATOM 1059 CA ARG A 71 -8.591 -9.909 -12.332 1.00 0.00 C ATOM 1060 C ARG A 71 -8.469 -8.640 -11.489 1.00 0.00 C ATOM 1061 O ARG A 71 -8.818 -7.563 -11.968 1.00 0.00 O ATOM 1062 CB ARG A 71 -9.771 -10.792 -11.885 1.00 0.00 C ATOM 1063 CG ARG A 71 -11.132 -10.092 -12.060 1.00 0.00 C ATOM 1064 CD ARG A 71 -12.304 -10.978 -11.618 1.00 0.00 C ATOM 1065 NE ARG A 71 -12.482 -12.156 -12.489 1.00 0.00 N ATOM 1066 CZ ARG A 71 -13.296 -13.191 -12.244 1.00 0.00 C ATOM 1067 NH1 ARG A 71 -14.038 -13.225 -11.139 1.00 0.00 N ATOM 1068 NH2 ARG A 71 -13.364 -14.195 -13.111 1.00 0.00 N ATOM 0 H ARG A 71 -7.464 -11.636 -11.947 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.782 -9.592 -13.357 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.766 -11.718 -12.460 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.639 -11.066 -10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -11.140 -9.168 -11.482 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.263 -9.815 -13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.138 -11.310 -10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -13.221 -10.389 -11.618 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.938 -12.184 -13.352 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -13.990 -12.458 -10.469 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -14.654 -14.018 -10.963 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.798 -14.176 -13.959 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.982 -14.985 -12.929 1.00 0.00 H new ATOM 1082 N LEU A 72 -7.936 -8.737 -10.265 1.00 0.00 N ATOM 1083 CA LEU A 72 -7.709 -7.558 -9.431 1.00 0.00 C ATOM 1084 C LEU A 72 -6.654 -6.671 -10.070 1.00 0.00 C ATOM 1085 O LEU A 72 -6.856 -5.465 -10.119 1.00 0.00 O ATOM 1086 CB LEU A 72 -7.287 -7.929 -7.998 1.00 0.00 C ATOM 1087 CG LEU A 72 -8.457 -8.405 -7.120 1.00 0.00 C ATOM 1088 CD1 LEU A 72 -7.912 -9.013 -5.826 1.00 0.00 C ATOM 1089 CD2 LEU A 72 -9.429 -7.278 -6.759 1.00 0.00 C ATOM 0 H LEU A 72 -7.656 -9.618 -9.834 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.654 -7.019 -9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.532 -8.714 -8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.820 -7.063 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.007 -9.144 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.742 -9.350 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.270 -9.861 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.336 -8.262 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.233 -7.675 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.897 -6.501 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.850 -6.855 -7.671 1.00 0.00 H new ATOM 1101 N CYS A 73 -5.572 -7.233 -10.617 1.00 0.00 N ATOM 1102 CA CYS A 73 -4.544 -6.427 -11.273 1.00 0.00 C ATOM 1103 C CYS A 73 -5.134 -5.581 -12.413 1.00 0.00 C ATOM 1104 O CYS A 73 -4.698 -4.450 -12.616 1.00 0.00 O ATOM 1105 CB CYS A 73 -3.408 -7.312 -11.809 1.00 0.00 C ATOM 1106 SG CYS A 73 -2.670 -8.329 -10.494 1.00 0.00 S ATOM 0 H CYS A 73 -5.388 -8.236 -10.618 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.137 -5.751 -10.521 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.792 -7.959 -12.597 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.639 -6.684 -12.259 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.562 -9.154 -10.031 1.00 0.00 H new ATOM 1112 N ARG A 74 -6.131 -6.101 -13.141 1.00 0.00 N ATOM 1113 CA ARG A 74 -6.820 -5.360 -14.203 1.00 0.00 C ATOM 1114 C ARG A 74 -7.847 -4.365 -13.649 1.00 0.00 C ATOM 1115 O ARG A 74 -8.178 -3.398 -14.336 1.00 0.00 O ATOM 1116 CB ARG A 74 -7.517 -6.359 -15.143 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.518 -7.191 -15.962 1.00 0.00 C ATOM 1118 CD ARG A 74 -7.233 -8.310 -16.726 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.272 -9.088 -17.522 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.420 -10.341 -17.962 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.560 -11.005 -17.778 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -5.400 -10.919 -18.580 1.00 0.00 N ATOM 0 H ARG A 74 -6.482 -7.049 -13.009 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.073 -4.781 -14.746 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.146 -7.028 -14.555 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.175 -5.816 -15.821 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.991 -6.545 -16.664 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.767 -7.621 -15.299 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.748 -8.966 -16.024 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.994 -7.883 -17.380 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.398 -8.621 -17.764 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.338 -10.557 -17.294 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.654 -11.961 -18.121 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.527 -10.408 -18.711 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.488 -11.875 -18.925 1.00 0.00 H new ATOM 1136 N ASN A 75 -8.382 -4.594 -12.444 1.00 0.00 N ATOM 1137 CA ASN A 75 -9.460 -3.794 -11.859 1.00 0.00 C ATOM 1138 C ASN A 75 -9.004 -2.399 -11.400 1.00 0.00 C ATOM 1139 O ASN A 75 -9.848 -1.546 -11.121 1.00 0.00 O ATOM 1140 CB ASN A 75 -10.104 -4.554 -10.687 1.00 0.00 C ATOM 1141 CG ASN A 75 -11.400 -3.890 -10.222 1.00 0.00 C ATOM 1142 OD1 ASN A 75 -12.322 -3.689 -11.010 1.00 0.00 O ATOM 1143 ND2 ASN A 75 -11.527 -3.568 -8.946 1.00 0.00 N ATOM 0 H ASN A 75 -8.071 -5.354 -11.839 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.194 -3.635 -12.649 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.310 -5.581 -10.989 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.401 -4.602 -9.855 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.394 -3.150 -8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.758 -3.738 -8.298 1.00 0.00 H new ATOM 1150 N TYR A 76 -7.691 -2.158 -11.336 1.00 0.00 N ATOM 1151 CA TYR A 76 -7.105 -0.874 -10.952 1.00 0.00 C ATOM 1152 C TYR A 76 -6.037 -0.520 -11.990 1.00 0.00 C ATOM 1153 O TYR A 76 -5.618 -1.389 -12.757 1.00 0.00 O ATOM 1154 CB TYR A 76 -6.527 -0.951 -9.527 1.00 0.00 C ATOM 1155 CG TYR A 76 -7.497 -1.509 -8.497 1.00 0.00 C ATOM 1156 CD1 TYR A 76 -7.573 -2.899 -8.304 1.00 0.00 C ATOM 1157 CD2 TYR A 76 -8.334 -0.665 -7.748 1.00 0.00 C ATOM 1158 CE1 TYR A 76 -8.514 -3.455 -7.429 1.00 0.00 C ATOM 1159 CE2 TYR A 76 -9.288 -1.207 -6.869 1.00 0.00 C ATOM 1160 CZ TYR A 76 -9.394 -2.608 -6.722 1.00 0.00 C ATOM 1161 OH TYR A 76 -10.341 -3.167 -5.923 1.00 0.00 O ATOM 0 H TYR A 76 -6.992 -2.868 -11.555 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.862 -0.090 -10.935 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.631 -1.572 -9.542 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.218 0.047 -9.217 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.895 -3.548 -8.839 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.244 0.407 -7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.566 -4.526 -7.296 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.939 -0.553 -6.307 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.650 -2.505 -5.270 1.00 0.00 H new ATOM 1171 N ASP A 77 -5.594 0.740 -12.032 1.00 0.00 N ATOM 1172 CA ASP A 77 -4.741 1.229 -13.124 1.00 0.00 C ATOM 1173 C ASP A 77 -3.405 1.788 -12.630 1.00 0.00 C ATOM 1174 O ASP A 77 -2.623 2.325 -13.411 1.00 0.00 O ATOM 1175 CB ASP A 77 -5.509 2.219 -14.010 1.00 0.00 C ATOM 1176 CG ASP A 77 -4.841 2.359 -15.391 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -4.761 1.349 -16.124 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -4.419 3.473 -15.769 1.00 0.00 O ATOM 0 H ASP A 77 -5.811 1.441 -11.324 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.478 0.371 -13.743 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.538 1.880 -14.133 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.550 3.193 -13.522 1.00 0.00 H new ATOM 1183 N LEU A 78 -3.102 1.635 -11.342 1.00 0.00 N ATOM 1184 CA LEU A 78 -1.794 1.918 -10.767 1.00 0.00 C ATOM 1185 C LEU A 78 -1.666 1.000 -9.557 1.00 0.00 C ATOM 1186 O LEU A 78 -2.629 0.882 -8.795 1.00 0.00 O ATOM 1187 CB LEU A 78 -1.726 3.400 -10.367 1.00 0.00 C ATOM 1188 CG LEU A 78 -0.320 3.922 -10.036 1.00 0.00 C ATOM 1189 CD1 LEU A 78 0.635 3.794 -11.234 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -0.414 5.380 -9.569 1.00 0.00 C ATOM 0 H LEU A 78 -3.778 1.302 -10.655 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.977 1.740 -11.467 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.137 3.999 -11.180 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.368 3.556 -9.500 1.00 0.00 H new ATOM 0 HG LEU A 78 0.093 3.310 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.618 4.174 -10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.719 2.746 -11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.246 4.371 -12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.583 5.752 -9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.850 5.988 -10.361 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.042 5.437 -8.680 1.00 0.00 H new ATOM 1202 N ILE A 79 -0.524 0.333 -9.389 1.00 0.00 N ATOM 1203 CA ILE A 79 -0.378 -0.727 -8.399 1.00 0.00 C ATOM 1204 C ILE A 79 0.851 -0.379 -7.561 1.00 0.00 C ATOM 1205 O ILE A 79 1.943 -0.175 -8.097 1.00 0.00 O ATOM 1206 CB ILE A 79 -0.247 -2.108 -9.087 1.00 0.00 C ATOM 1207 CG1 ILE A 79 -1.261 -2.396 -10.222 1.00 0.00 C ATOM 1208 CG2 ILE A 79 -0.317 -3.225 -8.032 1.00 0.00 C ATOM 1209 CD1 ILE A 79 -2.733 -2.503 -9.805 1.00 0.00 C ATOM 0 H ILE A 79 0.320 0.513 -9.933 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.257 -0.797 -7.758 1.00 0.00 H new ATOM 0 HB ILE A 79 0.725 -2.083 -9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.173 -1.606 -10.968 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.974 -3.328 -10.709 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.224 -4.194 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.496 -3.101 -7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.272 -3.172 -7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.346 -2.706 -10.683 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.849 -3.314 -9.086 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.051 -1.565 -9.349 1.00 0.00 H new ATOM 1221 N LEU A 80 0.678 -0.300 -6.244 1.00 0.00 N ATOM 1222 CA LEU A 80 1.730 0.092 -5.317 1.00 0.00 C ATOM 1223 C LEU A 80 2.133 -1.102 -4.463 1.00 0.00 C ATOM 1224 O LEU A 80 1.314 -1.965 -4.139 1.00 0.00 O ATOM 1225 CB LEU A 80 1.274 1.272 -4.435 1.00 0.00 C ATOM 1226 CG LEU A 80 1.549 2.681 -4.999 1.00 0.00 C ATOM 1227 CD1 LEU A 80 3.052 2.927 -5.188 1.00 0.00 C ATOM 1228 CD2 LEU A 80 0.815 2.964 -6.312 1.00 0.00 C ATOM 0 H LEU A 80 -0.210 -0.510 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 80 2.597 0.424 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.203 1.175 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.766 1.187 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 80 1.158 3.371 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.209 3.929 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.559 2.835 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.456 2.192 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.053 3.972 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.128 2.243 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.260 2.879 -6.153 1.00 0.00 H new ATOM 1240 N THR A 81 3.402 -1.105 -4.075 1.00 0.00 N ATOM 1241 CA THR A 81 4.016 -2.134 -3.249 1.00 0.00 C ATOM 1242 C THR A 81 4.981 -1.421 -2.289 1.00 0.00 C ATOM 1243 O THR A 81 5.052 -0.188 -2.308 1.00 0.00 O ATOM 1244 CB THR A 81 4.738 -3.145 -4.160 1.00 0.00 C ATOM 1245 OG1 THR A 81 5.707 -2.510 -4.964 1.00 0.00 O ATOM 1246 CG2 THR A 81 3.817 -3.946 -5.083 1.00 0.00 C ATOM 0 H THR A 81 4.054 -0.365 -4.336 1.00 0.00 H new ATOM 0 HA THR A 81 3.283 -2.694 -2.668 1.00 0.00 H new ATOM 0 HB THR A 81 5.198 -3.844 -3.462 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.294 -1.764 -5.447 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.413 -4.631 -5.686 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.106 -4.515 -4.483 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.275 -3.264 -5.738 1.00 0.00 H new ATOM 1254 N MET A 82 5.744 -2.136 -1.454 1.00 0.00 N ATOM 1255 CA MET A 82 6.621 -1.498 -0.470 1.00 0.00 C ATOM 1256 C MET A 82 8.087 -1.918 -0.611 1.00 0.00 C ATOM 1257 O MET A 82 8.949 -1.249 -0.040 1.00 0.00 O ATOM 1258 CB MET A 82 6.089 -1.813 0.938 1.00 0.00 C ATOM 1259 CG MET A 82 4.837 -0.998 1.286 1.00 0.00 C ATOM 1260 SD MET A 82 3.258 -1.728 0.774 1.00 0.00 S ATOM 1261 CE MET A 82 2.157 -0.369 1.249 1.00 0.00 C ATOM 0 H MET A 82 5.771 -3.156 -1.441 1.00 0.00 H new ATOM 0 HA MET A 82 6.606 -0.423 -0.648 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.858 -2.876 1.007 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.868 -1.608 1.672 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.813 -0.846 2.365 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.927 -0.014 0.827 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.138 -0.744 1.349 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.485 0.049 2.201 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.185 0.406 0.484 1.00 0.00 H new ATOM 1271 N GLU A 83 8.388 -2.986 -1.359 1.00 0.00 N ATOM 1272 CA GLU A 83 9.741 -3.527 -1.468 1.00 0.00 C ATOM 1273 C GLU A 83 10.000 -4.031 -2.881 1.00 0.00 C ATOM 1274 O GLU A 83 9.072 -4.431 -3.588 1.00 0.00 O ATOM 1275 CB GLU A 83 9.932 -4.677 -0.465 1.00 0.00 C ATOM 1276 CG GLU A 83 10.086 -4.208 0.987 1.00 0.00 C ATOM 1277 CD GLU A 83 10.183 -5.403 1.931 1.00 0.00 C ATOM 1278 OE1 GLU A 83 11.182 -6.154 1.895 1.00 0.00 O ATOM 1279 OE2 GLU A 83 9.207 -5.652 2.673 1.00 0.00 O ATOM 0 H GLU A 83 7.696 -3.498 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 83 10.450 -2.731 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.078 -5.351 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.814 -5.251 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.978 -3.589 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.236 -3.586 1.266 1.00 0.00 H new ATOM 1286 N LYS A 84 11.274 -4.087 -3.277 1.00 0.00 N ATOM 1287 CA LYS A 84 11.664 -4.568 -4.603 1.00 0.00 C ATOM 1288 C LYS A 84 11.245 -6.024 -4.808 1.00 0.00 C ATOM 1289 O LYS A 84 10.798 -6.372 -5.899 1.00 0.00 O ATOM 1290 CB LYS A 84 13.176 -4.383 -4.808 1.00 0.00 C ATOM 1291 CG LYS A 84 13.577 -2.897 -4.825 1.00 0.00 C ATOM 1292 CD LYS A 84 15.097 -2.733 -4.961 1.00 0.00 C ATOM 1293 CE LYS A 84 15.535 -1.263 -4.874 1.00 0.00 C ATOM 1294 NZ LYS A 84 15.131 -0.462 -6.055 1.00 0.00 N ATOM 0 H LYS A 84 12.059 -3.802 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 84 11.142 -3.976 -5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.715 -4.895 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.475 -4.850 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.079 -2.393 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.237 -2.416 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.593 -3.305 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.421 -3.151 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.108 -0.816 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.619 -1.219 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.286 0.548 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.699 -0.746 -6.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.124 -0.625 -6.257 1.00 0.00 H new ATOM 1308 N ARG A 85 11.303 -6.865 -3.765 1.00 0.00 N ATOM 1309 CA ARG A 85 10.771 -8.231 -3.837 1.00 0.00 C ATOM 1310 C ARG A 85 9.286 -8.238 -4.200 1.00 0.00 C ATOM 1311 O ARG A 85 8.864 -9.099 -4.968 1.00 0.00 O ATOM 1312 CB ARG A 85 11.054 -9.034 -2.545 1.00 0.00 C ATOM 1313 CG ARG A 85 10.591 -8.376 -1.230 1.00 0.00 C ATOM 1314 CD ARG A 85 10.627 -9.353 -0.045 1.00 0.00 C ATOM 1315 NE ARG A 85 10.194 -8.682 1.195 1.00 0.00 N ATOM 1316 CZ ARG A 85 9.418 -9.170 2.172 1.00 0.00 C ATOM 1317 NH1 ARG A 85 9.002 -10.433 2.162 1.00 0.00 N ATOM 1318 NH2 ARG A 85 9.054 -8.361 3.155 1.00 0.00 N ATOM 0 H ARG A 85 11.713 -6.622 -2.863 1.00 0.00 H new ATOM 0 HA ARG A 85 11.302 -8.738 -4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.571 -10.007 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.127 -9.215 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.228 -7.519 -1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.577 -7.996 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.978 -10.205 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.637 -9.744 0.080 1.00 0.00 H new ATOM 0 HE ARG A 85 10.527 -7.727 1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.273 -11.053 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.412 -10.782 2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.364 -7.389 3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.463 -8.710 3.910 1.00 0.00 H new ATOM 1332 N HIS A 86 8.486 -7.296 -3.693 1.00 0.00 N ATOM 1333 CA HIS A 86 7.064 -7.262 -4.004 1.00 0.00 C ATOM 1334 C HIS A 86 6.860 -6.841 -5.456 1.00 0.00 C ATOM 1335 O HIS A 86 6.034 -7.451 -6.131 1.00 0.00 O ATOM 1336 CB HIS A 86 6.303 -6.304 -3.077 1.00 0.00 C ATOM 1337 CG HIS A 86 6.144 -6.740 -1.641 1.00 0.00 C ATOM 1338 ND1 HIS A 86 6.777 -7.778 -0.996 1.00 0.00 N ATOM 1339 CD2 HIS A 86 5.275 -6.183 -0.743 1.00 0.00 C ATOM 1340 CE1 HIS A 86 6.304 -7.833 0.259 1.00 0.00 C ATOM 1341 NE2 HIS A 86 5.364 -6.891 0.460 1.00 0.00 N ATOM 0 H HIS A 86 8.801 -6.553 -3.069 1.00 0.00 H new ATOM 0 HA HIS A 86 6.667 -8.265 -3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.815 -5.342 -3.087 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.310 -6.141 -3.496 1.00 0.00 H new ATOM 0 HD1 HIS A 86 7.481 -8.396 -1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.629 -5.338 -0.931 1.00 0.00 H new ATOM 0 HE1 HIS A 86 6.634 -8.539 1.007 1.00 0.00 H new ATOM 1349 N ILE A 87 7.621 -5.854 -5.951 1.00 0.00 N ATOM 1350 CA ILE A 87 7.571 -5.463 -7.359 1.00 0.00 C ATOM 1351 C ILE A 87 7.860 -6.703 -8.202 1.00 0.00 C ATOM 1352 O ILE A 87 7.080 -7.022 -9.096 1.00 0.00 O ATOM 1353 CB ILE A 87 8.561 -4.313 -7.686 1.00 0.00 C ATOM 1354 CG1 ILE A 87 8.228 -3.047 -6.872 1.00 0.00 C ATOM 1355 CG2 ILE A 87 8.557 -3.984 -9.196 1.00 0.00 C ATOM 1356 CD1 ILE A 87 9.240 -1.911 -7.049 1.00 0.00 C ATOM 0 H ILE A 87 8.280 -5.313 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 87 6.580 -5.073 -7.590 1.00 0.00 H new ATOM 0 HB ILE A 87 9.558 -4.655 -7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.240 -2.689 -7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.173 -3.310 -5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.260 -3.175 -9.394 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.852 -4.868 -9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.556 -3.677 -9.499 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.937 -1.056 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.226 -2.249 -6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.279 -1.618 -8.098 1.00 0.00 H new ATOM 1368 N GLU A 88 8.946 -7.417 -7.893 1.00 0.00 N ATOM 1369 CA GLU A 88 9.375 -8.565 -8.677 1.00 0.00 C ATOM 1370 C GLU A 88 8.277 -9.631 -8.710 1.00 0.00 C ATOM 1371 O GLU A 88 7.907 -10.090 -9.789 1.00 0.00 O ATOM 1372 CB GLU A 88 10.698 -9.103 -8.111 1.00 0.00 C ATOM 1373 CG GLU A 88 11.265 -10.251 -8.957 1.00 0.00 C ATOM 1374 CD GLU A 88 12.657 -10.682 -8.460 1.00 0.00 C ATOM 1375 OE1 GLU A 88 12.749 -11.544 -7.556 1.00 0.00 O ATOM 1376 OE2 GLU A 88 13.678 -10.177 -8.982 1.00 0.00 O ATOM 0 H GLU A 88 9.547 -7.212 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 88 9.551 -8.265 -9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.427 -8.294 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.540 -9.450 -7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.585 -11.102 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.330 -9.939 -9.999 1.00 0.00 H new ATOM 1383 N ARG A 89 7.710 -9.996 -7.554 1.00 0.00 N ATOM 1384 CA ARG A 89 6.690 -11.041 -7.495 1.00 0.00 C ATOM 1385 C ARG A 89 5.409 -10.626 -8.213 1.00 0.00 C ATOM 1386 O ARG A 89 4.810 -11.455 -8.898 1.00 0.00 O ATOM 1387 CB ARG A 89 6.402 -11.447 -6.042 1.00 0.00 C ATOM 1388 CG ARG A 89 7.578 -12.185 -5.384 1.00 0.00 C ATOM 1389 CD ARG A 89 7.970 -13.474 -6.116 1.00 0.00 C ATOM 1390 NE ARG A 89 8.906 -14.295 -5.331 1.00 0.00 N ATOM 1391 CZ ARG A 89 9.489 -15.423 -5.756 1.00 0.00 C ATOM 1392 NH1 ARG A 89 9.267 -15.892 -6.981 1.00 0.00 N ATOM 1393 NH2 ARG A 89 10.304 -16.086 -4.940 1.00 0.00 N ATOM 0 H ARG A 89 7.942 -9.582 -6.651 1.00 0.00 H new ATOM 0 HA ARG A 89 7.086 -11.911 -8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.168 -10.555 -5.460 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.519 -12.085 -6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.441 -11.520 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.316 -12.426 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.073 -14.054 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.425 -13.222 -7.074 1.00 0.00 H new ATOM 0 HE ARG A 89 9.129 -13.979 -4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.644 -15.391 -7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.720 -16.753 -7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.480 -15.734 -3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.752 -16.946 -5.255 1.00 0.00 H new ATOM 1407 N LEU A 90 4.982 -9.367 -8.091 1.00 0.00 N ATOM 1408 CA LEU A 90 3.759 -8.915 -8.746 1.00 0.00 C ATOM 1409 C LEU A 90 3.973 -8.870 -10.264 1.00 0.00 C ATOM 1410 O LEU A 90 3.133 -9.351 -11.021 1.00 0.00 O ATOM 1411 CB LEU A 90 3.315 -7.559 -8.176 1.00 0.00 C ATOM 1412 CG LEU A 90 1.789 -7.427 -8.030 1.00 0.00 C ATOM 1413 CD1 LEU A 90 1.488 -6.124 -7.287 1.00 0.00 C ATOM 1414 CD2 LEU A 90 1.028 -7.446 -9.360 1.00 0.00 C ATOM 0 H LEU A 90 5.463 -8.650 -7.548 1.00 0.00 H new ATOM 0 HA LEU A 90 2.952 -9.620 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.780 -7.414 -7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.681 -6.763 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 90 1.443 -8.300 -7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.410 -6.011 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.956 -6.150 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.883 -5.282 -7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.041 -7.348 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.363 -6.616 -9.983 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.220 -8.387 -9.876 1.00 0.00 H new ATOM 1426 N CYS A 91 5.125 -8.368 -10.721 1.00 0.00 N ATOM 1427 CA CYS A 91 5.456 -8.357 -12.142 1.00 0.00 C ATOM 1428 C CYS A 91 5.592 -9.788 -12.684 1.00 0.00 C ATOM 1429 O CYS A 91 5.264 -10.029 -13.842 1.00 0.00 O ATOM 1430 CB CYS A 91 6.755 -7.581 -12.389 1.00 0.00 C ATOM 1431 SG CYS A 91 6.543 -5.843 -11.906 1.00 0.00 S ATOM 0 H CYS A 91 5.844 -7.963 -10.121 1.00 0.00 H new ATOM 0 HA CYS A 91 4.642 -7.860 -12.670 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.569 -8.028 -11.819 1.00 0.00 H new ATOM 0 HB3 CYS A 91 7.031 -7.643 -13.442 1.00 0.00 H new ATOM 0 HG CYS A 91 6.684 -5.730 -10.619 1.00 0.00 H new ATOM 1437 N GLU A 92 6.062 -10.740 -11.874 1.00 0.00 N ATOM 1438 CA GLU A 92 6.213 -12.138 -12.259 1.00 0.00 C ATOM 1439 C GLU A 92 4.843 -12.780 -12.514 1.00 0.00 C ATOM 1440 O GLU A 92 4.677 -13.479 -13.516 1.00 0.00 O ATOM 1441 CB GLU A 92 7.019 -12.867 -11.168 1.00 0.00 C ATOM 1442 CG GLU A 92 7.187 -14.373 -11.396 1.00 0.00 C ATOM 1443 CD GLU A 92 8.114 -14.999 -10.336 1.00 0.00 C ATOM 1444 OE1 GLU A 92 7.803 -14.933 -9.125 1.00 0.00 O ATOM 1445 OE2 GLU A 92 9.157 -15.582 -10.711 1.00 0.00 O ATOM 0 H GLU A 92 6.353 -10.553 -10.914 1.00 0.00 H new ATOM 0 HA GLU A 92 6.763 -12.216 -13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.007 -12.411 -11.099 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.528 -12.711 -10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.212 -14.859 -11.362 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.597 -14.549 -12.391 1.00 0.00 H new ATOM 1452 N MET A 93 3.848 -12.531 -11.651 1.00 0.00 N ATOM 1453 CA MET A 93 2.496 -13.069 -11.845 1.00 0.00 C ATOM 1454 C MET A 93 1.696 -12.289 -12.895 1.00 0.00 C ATOM 1455 O MET A 93 0.751 -12.836 -13.470 1.00 0.00 O ATOM 1456 CB MET A 93 1.721 -13.135 -10.519 1.00 0.00 C ATOM 1457 CG MET A 93 1.461 -11.760 -9.891 1.00 0.00 C ATOM 1458 SD MET A 93 0.327 -11.753 -8.483 1.00 0.00 S ATOM 1459 CE MET A 93 -1.252 -11.935 -9.358 1.00 0.00 C ATOM 0 H MET A 93 3.955 -11.960 -10.812 1.00 0.00 H new ATOM 0 HA MET A 93 2.624 -14.083 -12.223 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.767 -13.633 -10.690 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.279 -13.749 -9.812 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.414 -11.340 -9.570 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.063 -11.098 -10.660 1.00 0.00 H new ATOM 0 HE1 MET A 93 -2.073 -11.878 -8.643 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.355 -11.136 -10.093 1.00 0.00 H new ATOM 0 HE3 MET A 93 -1.278 -12.900 -9.865 1.00 0.00 H new ATOM 1469 N ALA A 94 2.043 -11.022 -13.142 1.00 0.00 N ATOM 1470 CA ALA A 94 1.297 -10.147 -14.037 1.00 0.00 C ATOM 1471 C ALA A 94 2.265 -9.268 -14.839 1.00 0.00 C ATOM 1472 O ALA A 94 2.320 -8.056 -14.613 1.00 0.00 O ATOM 1473 CB ALA A 94 0.261 -9.337 -13.237 1.00 0.00 C ATOM 0 H ALA A 94 2.857 -10.576 -12.720 1.00 0.00 H new ATOM 0 HA ALA A 94 0.739 -10.739 -14.762 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.292 -8.685 -13.913 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.431 -10.019 -12.743 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.772 -8.732 -12.488 1.00 0.00 H new ATOM 1479 N PRO A 95 3.013 -9.839 -15.807 1.00 0.00 N ATOM 1480 CA PRO A 95 3.883 -9.054 -16.679 1.00 0.00 C ATOM 1481 C PRO A 95 3.065 -8.052 -17.504 1.00 0.00 C ATOM 1482 O PRO A 95 3.561 -6.972 -17.824 1.00 0.00 O ATOM 1483 CB PRO A 95 4.644 -10.067 -17.540 1.00 0.00 C ATOM 1484 CG PRO A 95 3.746 -11.304 -17.536 1.00 0.00 C ATOM 1485 CD PRO A 95 3.071 -11.251 -16.165 1.00 0.00 C ATOM 0 HA PRO A 95 4.590 -8.444 -16.117 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.803 -9.692 -18.551 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.627 -10.286 -17.123 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.016 -11.272 -18.344 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.323 -12.220 -17.664 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.072 -11.686 -16.203 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.638 -11.819 -15.427 1.00 0.00 H new ATOM 1493 N GLU A 96 1.787 -8.367 -17.759 1.00 0.00 N ATOM 1494 CA GLU A 96 0.799 -7.460 -18.334 1.00 0.00 C ATOM 1495 C GLU A 96 0.765 -6.084 -17.644 1.00 0.00 C ATOM 1496 O GLU A 96 0.483 -5.079 -18.301 1.00 0.00 O ATOM 1497 CB GLU A 96 -0.549 -8.192 -18.187 1.00 0.00 C ATOM 1498 CG GLU A 96 -1.756 -7.512 -18.845 1.00 0.00 C ATOM 1499 CD GLU A 96 -3.075 -8.254 -18.559 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -3.076 -9.474 -18.267 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -4.148 -7.616 -18.622 1.00 0.00 O ATOM 0 H GLU A 96 1.406 -9.292 -17.562 1.00 0.00 H new ATOM 0 HA GLU A 96 1.042 -7.235 -19.372 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.445 -9.192 -18.609 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.760 -8.314 -17.125 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.833 -6.486 -18.484 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.598 -7.460 -19.922 1.00 0.00 H new ATOM 1508 N MET A 97 1.075 -6.023 -16.343 1.00 0.00 N ATOM 1509 CA MET A 97 0.946 -4.835 -15.512 1.00 0.00 C ATOM 1510 C MET A 97 2.315 -4.312 -15.051 1.00 0.00 C ATOM 1511 O MET A 97 2.377 -3.363 -14.271 1.00 0.00 O ATOM 1512 CB MET A 97 0.020 -5.202 -14.338 1.00 0.00 C ATOM 1513 CG MET A 97 -0.669 -3.992 -13.710 1.00 0.00 C ATOM 1514 SD MET A 97 -1.723 -3.056 -14.854 1.00 0.00 S ATOM 1515 CE MET A 97 -2.484 -1.887 -13.704 1.00 0.00 C ATOM 0 H MET A 97 1.433 -6.829 -15.830 1.00 0.00 H new ATOM 0 HA MET A 97 0.510 -4.012 -16.079 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.739 -5.902 -14.688 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.601 -5.718 -13.574 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.275 -4.329 -12.869 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.092 -3.324 -13.306 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.125 -1.199 -14.255 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.081 -2.432 -12.973 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.705 -1.324 -13.189 1.00 0.00 H new ATOM 1525 N ARG A 98 3.425 -4.892 -15.532 1.00 0.00 N ATOM 1526 CA ARG A 98 4.788 -4.565 -15.094 1.00 0.00 C ATOM 1527 C ARG A 98 5.076 -3.062 -15.147 1.00 0.00 C ATOM 1528 O ARG A 98 5.705 -2.533 -14.233 1.00 0.00 O ATOM 1529 CB ARG A 98 5.782 -5.381 -15.941 1.00 0.00 C ATOM 1530 CG ARG A 98 7.264 -5.107 -15.631 1.00 0.00 C ATOM 1531 CD ARG A 98 8.185 -6.108 -16.341 1.00 0.00 C ATOM 1532 NE ARG A 98 8.098 -6.006 -17.811 1.00 0.00 N ATOM 1533 CZ ARG A 98 8.413 -6.971 -18.686 1.00 0.00 C ATOM 1534 NH1 ARG A 98 8.875 -8.147 -18.268 1.00 0.00 N ATOM 1535 NH2 ARG A 98 8.262 -6.752 -19.989 1.00 0.00 N ATOM 0 H ARG A 98 3.398 -5.616 -16.250 1.00 0.00 H new ATOM 0 HA ARG A 98 4.900 -4.837 -14.045 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.583 -6.442 -15.789 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.600 -5.170 -16.995 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.520 -4.094 -15.941 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.427 -5.162 -14.555 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.215 -5.936 -16.028 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.923 -7.120 -16.033 1.00 0.00 H new ATOM 0 HE ARG A 98 7.768 -5.121 -18.196 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.993 -8.323 -17.270 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.111 -8.872 -18.945 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.908 -5.853 -20.317 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.500 -7.483 -20.660 1.00 0.00 H new ATOM 1549 N GLY A 99 4.576 -2.363 -16.171 1.00 0.00 N ATOM 1550 CA GLY A 99 4.782 -0.927 -16.346 1.00 0.00 C ATOM 1551 C GLY A 99 4.087 -0.056 -15.291 1.00 0.00 C ATOM 1552 O GLY A 99 4.359 1.146 -15.237 1.00 0.00 O ATOM 0 H GLY A 99 4.011 -2.785 -16.908 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.852 -0.720 -16.324 1.00 0.00 H new ATOM 0 HA3 GLY A 99 4.422 -0.638 -17.333 1.00 0.00 H new ATOM 1556 N LYS A 100 3.202 -0.621 -14.458 1.00 0.00 N ATOM 1557 CA LYS A 100 2.368 0.109 -13.500 1.00 0.00 C ATOM 1558 C LYS A 100 2.537 -0.399 -12.065 1.00 0.00 C ATOM 1559 O LYS A 100 1.887 0.147 -11.173 1.00 0.00 O ATOM 1560 CB LYS A 100 0.902 0.045 -13.962 1.00 0.00 C ATOM 1561 CG LYS A 100 0.608 1.053 -15.085 1.00 0.00 C ATOM 1562 CD LYS A 100 -0.764 0.757 -15.703 1.00 0.00 C ATOM 1563 CE LYS A 100 -1.297 1.875 -16.617 1.00 0.00 C ATOM 1564 NZ LYS A 100 -1.660 3.104 -15.872 1.00 0.00 N ATOM 0 H LYS A 100 3.044 -1.628 -14.433 1.00 0.00 H new ATOM 0 HA LYS A 100 2.694 1.149 -13.479 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.675 -0.963 -14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.246 0.244 -13.115 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.627 2.068 -14.689 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.382 0.995 -15.850 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.700 -0.167 -16.277 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.482 0.585 -14.901 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.541 2.119 -17.364 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.172 1.511 -17.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.594 3.436 -16.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.690 2.896 -14.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.951 3.843 -16.054 1.00 0.00 H new ATOM 1578 N VAL A 101 3.381 -1.408 -11.821 1.00 0.00 N ATOM 1579 CA VAL A 101 3.764 -1.791 -10.462 1.00 0.00 C ATOM 1580 C VAL A 101 4.980 -0.931 -10.079 1.00 0.00 C ATOM 1581 O VAL A 101 5.899 -0.774 -10.888 1.00 0.00 O ATOM 1582 CB VAL A 101 4.102 -3.298 -10.402 1.00 0.00 C ATOM 1583 CG1 VAL A 101 4.491 -3.732 -8.981 1.00 0.00 C ATOM 1584 CG2 VAL A 101 2.926 -4.185 -10.843 1.00 0.00 C ATOM 0 H VAL A 101 3.812 -1.974 -12.552 1.00 0.00 H new ATOM 0 HA VAL A 101 2.946 -1.623 -9.761 1.00 0.00 H new ATOM 0 HB VAL A 101 4.938 -3.430 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.722 -4.797 -8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.366 -3.169 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.661 -3.538 -8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.218 -5.233 -10.782 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.071 -4.007 -10.190 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.654 -3.944 -11.871 1.00 0.00 H new ATOM 1594 N MET A 102 5.007 -0.392 -8.854 1.00 0.00 N ATOM 1595 CA MET A 102 6.151 0.360 -8.319 1.00 0.00 C ATOM 1596 C MET A 102 6.077 0.379 -6.785 1.00 0.00 C ATOM 1597 O MET A 102 5.091 -0.113 -6.224 1.00 0.00 O ATOM 1598 CB MET A 102 6.164 1.785 -8.907 1.00 0.00 C ATOM 1599 CG MET A 102 4.939 2.601 -8.492 1.00 0.00 C ATOM 1600 SD MET A 102 4.682 4.102 -9.458 1.00 0.00 S ATOM 1601 CE MET A 102 3.103 4.578 -8.719 1.00 0.00 C ATOM 0 H MET A 102 4.228 -0.466 -8.199 1.00 0.00 H new ATOM 0 HA MET A 102 7.084 -0.125 -8.608 1.00 0.00 H new ATOM 0 HB2 MET A 102 7.067 2.301 -8.581 1.00 0.00 H new ATOM 0 HB3 MET A 102 6.205 1.725 -9.995 1.00 0.00 H new ATOM 0 HG2 MET A 102 4.053 1.972 -8.577 1.00 0.00 H new ATOM 0 HG3 MET A 102 5.037 2.872 -7.441 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.776 5.529 -9.140 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.357 3.812 -8.931 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.222 4.680 -7.640 1.00 0.00 H new ATOM 1611 N LEU A 103 7.081 0.947 -6.098 1.00 0.00 N ATOM 1612 CA LEU A 103 7.106 0.992 -4.633 1.00 0.00 C ATOM 1613 C LEU A 103 6.713 2.361 -4.086 1.00 0.00 C ATOM 1614 O LEU A 103 6.921 3.398 -4.715 1.00 0.00 O ATOM 1615 CB LEU A 103 8.419 0.471 -4.008 1.00 0.00 C ATOM 1616 CG LEU A 103 9.781 0.947 -4.559 1.00 0.00 C ATOM 1617 CD1 LEU A 103 10.108 2.398 -4.201 1.00 0.00 C ATOM 1618 CD2 LEU A 103 10.877 0.040 -3.985 1.00 0.00 C ATOM 0 H LEU A 103 7.890 1.383 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 103 6.338 0.286 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.394 0.720 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.403 -0.616 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 103 9.729 0.892 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 103 11.078 2.666 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.342 3.056 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 103 10.138 2.507 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.848 0.360 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.871 0.106 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.692 -0.991 -4.287 1.00 0.00 H new ATOM 1630 N PHE A 104 6.139 2.339 -2.883 1.00 0.00 N ATOM 1631 CA PHE A 104 5.550 3.517 -2.266 1.00 0.00 C ATOM 1632 C PHE A 104 6.614 4.516 -1.805 1.00 0.00 C ATOM 1633 O PHE A 104 6.398 5.721 -1.921 1.00 0.00 O ATOM 1634 CB PHE A 104 4.651 3.046 -1.107 1.00 0.00 C ATOM 1635 CG PHE A 104 3.485 3.944 -0.744 1.00 0.00 C ATOM 1636 CD1 PHE A 104 2.626 4.435 -1.744 1.00 0.00 C ATOM 1637 CD2 PHE A 104 3.183 4.197 0.607 1.00 0.00 C ATOM 1638 CE1 PHE A 104 1.486 5.176 -1.404 1.00 0.00 C ATOM 1639 CE2 PHE A 104 2.033 4.927 0.953 1.00 0.00 C ATOM 1640 CZ PHE A 104 1.177 5.405 -0.054 1.00 0.00 C ATOM 0 H PHE A 104 6.072 1.498 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 104 4.949 4.056 -2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.257 2.062 -1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.274 2.922 -0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.847 4.239 -2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.838 3.828 1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.846 5.570 -2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.807 5.120 1.991 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.282 5.948 0.211 1.00 0.00 H new ATOM 1650 N GLY A 105 7.787 4.038 -1.371 1.00 0.00 N ATOM 1651 CA GLY A 105 8.861 4.896 -0.875 1.00 0.00 C ATOM 1652 C GLY A 105 9.682 5.548 -1.990 1.00 0.00 C ATOM 1653 O GLY A 105 10.727 6.131 -1.708 1.00 0.00 O ATOM 0 H GLY A 105 8.015 3.044 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.432 5.676 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.525 4.306 -0.243 1.00 0.00 H new ATOM 1657 N HIS A 106 9.228 5.462 -3.248 1.00 0.00 N ATOM 1658 CA HIS A 106 9.825 6.106 -4.421 1.00 0.00 C ATOM 1659 C HIS A 106 10.330 7.532 -4.148 1.00 0.00 C ATOM 1660 O HIS A 106 11.480 7.839 -4.471 1.00 0.00 O ATOM 1661 CB HIS A 106 8.789 6.097 -5.551 1.00 0.00 C ATOM 1662 CG HIS A 106 9.193 6.871 -6.779 1.00 0.00 C ATOM 1663 ND1 HIS A 106 10.279 6.624 -7.592 1.00 0.00 N ATOM 1664 CD2 HIS A 106 8.548 7.967 -7.289 1.00 0.00 C ATOM 1665 CE1 HIS A 106 10.290 7.552 -8.563 1.00 0.00 C ATOM 1666 NE2 HIS A 106 9.252 8.399 -8.422 1.00 0.00 N ATOM 0 H HIS A 106 8.398 4.917 -3.484 1.00 0.00 H new ATOM 0 HA HIS A 106 10.712 5.539 -4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 106 8.592 5.064 -5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 106 7.853 6.506 -5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 106 7.653 8.419 -6.888 1.00 0.00 H new ATOM 0 HE1 HIS A 106 11.029 7.611 -9.348 1.00 0.00 H new ATOM 0 HE2 HIS A 106 9.024 9.194 -9.019 1.00 0.00 H new ATOM 1674 N TRP A 107 9.503 8.391 -3.539 1.00 0.00 N ATOM 1675 CA TRP A 107 9.855 9.793 -3.317 1.00 0.00 C ATOM 1676 C TRP A 107 11.010 9.952 -2.329 1.00 0.00 C ATOM 1677 O TRP A 107 11.761 10.924 -2.409 1.00 0.00 O ATOM 1678 CB TRP A 107 8.633 10.536 -2.782 1.00 0.00 C ATOM 1679 CG TRP A 107 7.391 10.359 -3.593 1.00 0.00 C ATOM 1680 CD1 TRP A 107 6.344 9.579 -3.249 1.00 0.00 C ATOM 1681 CD2 TRP A 107 7.053 10.940 -4.888 1.00 0.00 C ATOM 1682 NE1 TRP A 107 5.383 9.652 -4.226 1.00 0.00 N ATOM 1683 CE2 TRP A 107 5.763 10.465 -5.269 1.00 0.00 C ATOM 1684 CE3 TRP A 107 7.707 11.812 -5.786 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 5.159 10.831 -6.479 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 7.108 12.186 -7.005 1.00 0.00 C ATOM 1687 CH2 TRP A 107 5.838 11.693 -7.354 1.00 0.00 C ATOM 0 H TRP A 107 8.580 8.134 -3.190 1.00 0.00 H new ATOM 0 HA TRP A 107 10.177 10.209 -4.272 1.00 0.00 H new ATOM 0 HB2 TRP A 107 8.437 10.200 -1.764 1.00 0.00 H new ATOM 0 HB3 TRP A 107 8.866 11.599 -2.727 1.00 0.00 H new ATOM 0 HD1 TRP A 107 6.274 8.990 -2.346 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.490 9.160 -4.184 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.683 12.199 -5.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 4.180 10.453 -6.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 7.627 12.855 -7.675 1.00 0.00 H new ATOM 0 HH2 TRP A 107 5.386 11.977 -8.293 1.00 0.00 H new ATOM 1698 N ASP A 108 11.168 8.995 -1.413 1.00 0.00 N ATOM 1699 CA ASP A 108 12.233 9.000 -0.419 1.00 0.00 C ATOM 1700 C ASP A 108 13.440 8.288 -0.991 1.00 0.00 C ATOM 1701 O ASP A 108 13.912 7.291 -0.449 1.00 0.00 O ATOM 1702 CB ASP A 108 11.727 8.408 0.904 1.00 0.00 C ATOM 1703 CG ASP A 108 12.729 8.617 2.047 1.00 0.00 C ATOM 1704 OD1 ASP A 108 13.334 9.710 2.132 1.00 0.00 O ATOM 1705 OD2 ASP A 108 12.769 7.791 2.985 1.00 0.00 O ATOM 0 H ASP A 108 10.550 8.186 -1.343 1.00 0.00 H new ATOM 0 HA ASP A 108 12.545 10.018 -0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.775 8.869 1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 108 11.540 7.342 0.776 1.00 0.00 H new ATOM 1710 N ASN A 109 13.909 8.818 -2.126 1.00 0.00 N ATOM 1711 CA ASN A 109 15.091 8.332 -2.824 1.00 0.00 C ATOM 1712 C ASN A 109 14.997 6.806 -3.026 1.00 0.00 C ATOM 1713 O ASN A 109 15.897 6.054 -2.657 1.00 0.00 O ATOM 1714 CB ASN A 109 16.334 8.860 -2.083 1.00 0.00 C ATOM 1715 CG ASN A 109 17.610 8.731 -2.900 1.00 0.00 C ATOM 1716 OD1 ASN A 109 18.121 9.697 -3.461 1.00 0.00 O ATOM 1717 ND2 ASN A 109 18.148 7.535 -2.963 1.00 0.00 N ATOM 0 H ASN A 109 13.465 9.611 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 109 15.172 8.716 -3.841 1.00 0.00 H new ATOM 0 HB2 ASN A 109 16.179 9.907 -1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 109 16.451 8.314 -1.147 1.00 0.00 H new ATOM 0 HD21 ASN A 109 19.011 7.391 -3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 109 17.703 6.750 -2.488 1.00 0.00 H new ATOM 1724 N GLU A 110 13.847 6.371 -3.561 1.00 0.00 N ATOM 1725 CA GLU A 110 13.504 4.967 -3.822 1.00 0.00 C ATOM 1726 C GLU A 110 13.848 3.969 -2.704 1.00 0.00 C ATOM 1727 O GLU A 110 14.132 2.799 -2.969 1.00 0.00 O ATOM 1728 CB GLU A 110 13.897 4.561 -5.261 1.00 0.00 C ATOM 1729 CG GLU A 110 15.391 4.550 -5.635 1.00 0.00 C ATOM 1730 CD GLU A 110 16.149 3.276 -5.214 1.00 0.00 C ATOM 1731 OE1 GLU A 110 15.840 2.188 -5.754 1.00 0.00 O ATOM 1732 OE2 GLU A 110 17.123 3.361 -4.433 1.00 0.00 O ATOM 0 H GLU A 110 13.102 7.013 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 110 12.417 4.899 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 110 13.501 3.562 -5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.387 5.237 -5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.483 4.671 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.873 5.413 -5.175 1.00 0.00 H new ATOM 1739 N CYS A 111 13.785 4.420 -1.449 1.00 0.00 N ATOM 1740 CA CYS A 111 13.997 3.550 -0.302 1.00 0.00 C ATOM 1741 C CYS A 111 12.802 2.607 -0.184 1.00 0.00 C ATOM 1742 O CYS A 111 11.653 3.057 -0.180 1.00 0.00 O ATOM 1743 CB CYS A 111 14.172 4.355 0.990 1.00 0.00 C ATOM 1744 SG CYS A 111 15.747 5.259 0.952 1.00 0.00 S ATOM 0 H CYS A 111 13.587 5.391 -1.206 1.00 0.00 H new ATOM 0 HA CYS A 111 14.914 2.980 -0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 111 13.345 5.055 1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 111 14.148 3.686 1.851 1.00 0.00 H new ATOM 0 HG CYS A 111 15.569 6.417 0.388 1.00 0.00 H new ATOM 1750 N GLU A 112 13.064 1.306 -0.066 1.00 0.00 N ATOM 1751 CA GLU A 112 12.020 0.349 0.270 1.00 0.00 C ATOM 1752 C GLU A 112 11.713 0.429 1.773 1.00 0.00 C ATOM 1753 O GLU A 112 12.509 0.953 2.561 1.00 0.00 O ATOM 1754 CB GLU A 112 12.370 -1.058 -0.220 1.00 0.00 C ATOM 1755 CG GLU A 112 13.705 -1.657 0.240 1.00 0.00 C ATOM 1756 CD GLU A 112 13.921 -3.091 -0.294 1.00 0.00 C ATOM 1757 OE1 GLU A 112 13.203 -3.536 -1.222 1.00 0.00 O ATOM 1758 OE2 GLU A 112 14.840 -3.777 0.214 1.00 0.00 O ATOM 0 H GLU A 112 13.988 0.895 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 112 11.101 0.607 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.573 -1.732 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.365 -1.045 -1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.522 -1.019 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.739 -1.669 1.329 1.00 0.00 H new ATOM 1765 N ILE A 113 10.548 -0.089 2.158 1.00 0.00 N ATOM 1766 CA ILE A 113 9.990 0.107 3.496 1.00 0.00 C ATOM 1767 C ILE A 113 10.143 -1.200 4.302 1.00 0.00 C ATOM 1768 O ILE A 113 9.964 -2.277 3.725 1.00 0.00 O ATOM 1769 CB ILE A 113 8.527 0.597 3.329 1.00 0.00 C ATOM 1770 CG1 ILE A 113 8.504 1.890 2.466 1.00 0.00 C ATOM 1771 CG2 ILE A 113 7.792 0.793 4.667 1.00 0.00 C ATOM 1772 CD1 ILE A 113 7.139 2.560 2.304 1.00 0.00 C ATOM 0 H ILE A 113 9.962 -0.659 1.548 1.00 0.00 H new ATOM 0 HA ILE A 113 10.519 0.869 4.068 1.00 0.00 H new ATOM 0 HB ILE A 113 7.976 -0.190 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.191 2.611 2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.889 1.649 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.775 1.136 4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.760 -0.153 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.319 1.535 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.242 3.451 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.447 1.865 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.754 2.842 3.284 1.00 0.00 H new ATOM 1784 N PRO A 114 10.481 -1.142 5.609 1.00 0.00 N ATOM 1785 CA PRO A 114 10.555 -2.322 6.474 1.00 0.00 C ATOM 1786 C PRO A 114 9.233 -3.096 6.526 1.00 0.00 C ATOM 1787 O PRO A 114 8.164 -2.546 6.244 1.00 0.00 O ATOM 1788 CB PRO A 114 10.953 -1.818 7.867 1.00 0.00 C ATOM 1789 CG PRO A 114 11.568 -0.446 7.609 1.00 0.00 C ATOM 1790 CD PRO A 114 10.829 0.050 6.369 1.00 0.00 C ATOM 0 HA PRO A 114 11.287 -3.027 6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 114 10.088 -1.749 8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 114 11.666 -2.490 8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 114 11.424 0.224 8.457 1.00 0.00 H new ATOM 0 HG3 PRO A 114 12.642 -0.514 7.435 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.937 0.612 6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.458 0.719 5.781 1.00 0.00 H new ATOM 1798 N ASP A 115 9.294 -4.368 6.923 1.00 0.00 N ATOM 1799 CA ASP A 115 8.151 -5.282 6.936 1.00 0.00 C ATOM 1800 C ASP A 115 7.729 -5.540 8.385 1.00 0.00 C ATOM 1801 O ASP A 115 8.474 -6.198 9.120 1.00 0.00 O ATOM 1802 CB ASP A 115 8.518 -6.587 6.222 1.00 0.00 C ATOM 1803 CG ASP A 115 7.358 -7.597 6.154 1.00 0.00 C ATOM 1804 OD1 ASP A 115 6.278 -7.355 6.740 1.00 0.00 O ATOM 1805 OD2 ASP A 115 7.552 -8.636 5.481 1.00 0.00 O ATOM 0 H ASP A 115 10.157 -4.800 7.251 1.00 0.00 H new ATOM 0 HA ASP A 115 7.311 -4.836 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 115 8.849 -6.357 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 115 9.361 -7.048 6.736 1.00 0.00 H new ATOM 1810 N PRO A 116 6.580 -5.003 8.836 1.00 0.00 N ATOM 1811 CA PRO A 116 6.161 -5.076 10.224 1.00 0.00 C ATOM 1812 C PRO A 116 5.348 -6.338 10.550 1.00 0.00 C ATOM 1813 O PRO A 116 4.961 -6.453 11.705 1.00 0.00 O ATOM 1814 CB PRO A 116 5.301 -3.825 10.420 1.00 0.00 C ATOM 1815 CG PRO A 116 4.567 -3.732 9.084 1.00 0.00 C ATOM 1816 CD PRO A 116 5.645 -4.170 8.090 1.00 0.00 C ATOM 0 HA PRO A 116 7.025 -5.126 10.887 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.612 -3.931 11.258 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.907 -2.940 10.615 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.695 -4.385 9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 116 4.215 -2.720 8.883 1.00 0.00 H new ATOM 0 HD2 PRO A 116 5.206 -4.726 7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 116 6.152 -3.306 7.661 1.00 0.00 H new ATOM 1824 N TYR A 117 5.092 -7.254 9.597 1.00 0.00 N ATOM 1825 CA TYR A 117 4.157 -8.391 9.673 1.00 0.00 C ATOM 1826 C TYR A 117 3.597 -8.738 11.065 1.00 0.00 C ATOM 1827 O TYR A 117 2.406 -8.527 11.295 1.00 0.00 O ATOM 1828 CB TYR A 117 4.757 -9.630 8.991 1.00 0.00 C ATOM 1829 CG TYR A 117 3.768 -10.773 8.856 1.00 0.00 C ATOM 1830 CD1 TYR A 117 2.722 -10.681 7.917 1.00 0.00 C ATOM 1831 CD2 TYR A 117 3.863 -11.908 9.687 1.00 0.00 C ATOM 1832 CE1 TYR A 117 1.776 -11.716 7.805 1.00 0.00 C ATOM 1833 CE2 TYR A 117 2.926 -12.951 9.574 1.00 0.00 C ATOM 1834 CZ TYR A 117 1.876 -12.859 8.631 1.00 0.00 C ATOM 1835 OH TYR A 117 0.956 -13.857 8.510 1.00 0.00 O ATOM 0 H TYR A 117 5.565 -7.216 8.694 1.00 0.00 H new ATOM 0 HA TYR A 117 3.278 -8.045 9.130 1.00 0.00 H new ATOM 0 HB2 TYR A 117 5.120 -9.353 8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 117 5.620 -9.970 9.563 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.646 -9.812 7.280 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.659 -11.977 10.414 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.973 -11.637 7.087 1.00 0.00 H new ATOM 0 HE2 TYR A 117 3.008 -13.822 10.207 1.00 0.00 H new ATOM 0 HH TYR A 117 1.164 -14.572 9.147 1.00 0.00 H new ATOM 1845 N ARG A 118 4.433 -9.240 11.991 1.00 0.00 N ATOM 1846 CA ARG A 118 4.046 -9.489 13.390 1.00 0.00 C ATOM 1847 C ARG A 118 5.147 -8.984 14.340 1.00 0.00 C ATOM 1848 O ARG A 118 5.408 -9.576 15.390 1.00 0.00 O ATOM 1849 CB ARG A 118 3.712 -10.985 13.590 1.00 0.00 C ATOM 1850 CG ARG A 118 2.436 -11.491 12.885 1.00 0.00 C ATOM 1851 CD ARG A 118 1.119 -11.262 13.643 1.00 0.00 C ATOM 1852 NE ARG A 118 0.738 -9.845 13.791 1.00 0.00 N ATOM 1853 CZ ARG A 118 0.866 -9.080 14.880 1.00 0.00 C ATOM 1854 NH1 ARG A 118 1.452 -9.528 15.989 1.00 0.00 N ATOM 1855 NH2 ARG A 118 0.407 -7.843 14.840 1.00 0.00 N ATOM 0 H ARG A 118 5.402 -9.486 11.788 1.00 0.00 H new ATOM 0 HA ARG A 118 3.142 -8.930 13.631 1.00 0.00 H new ATOM 0 HB2 ARG A 118 4.557 -11.576 13.238 1.00 0.00 H new ATOM 0 HB3 ARG A 118 3.613 -11.176 14.659 1.00 0.00 H new ATOM 0 HG2 ARG A 118 2.363 -11.004 11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 118 2.545 -12.559 12.699 1.00 0.00 H new ATOM 0 HD2 ARG A 118 0.319 -11.788 13.123 1.00 0.00 H new ATOM 0 HD3 ARG A 118 1.202 -11.708 14.634 1.00 0.00 H new ATOM 0 HE ARG A 118 0.331 -9.398 12.970 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.818 -10.479 16.024 1.00 0.00 H new ATOM 0 HH12 ARG A 118 1.534 -8.920 16.804 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -0.034 -7.490 13.991 1.00 0.00 H new ATOM 0 HH22 ARG A 118 0.493 -7.240 15.658 1.00 0.00 H new ATOM 1869 N LYS A 119 5.847 -7.925 13.925 1.00 0.00 N ATOM 1870 CA LYS A 119 6.945 -7.324 14.682 1.00 0.00 C ATOM 1871 C LYS A 119 6.394 -6.544 15.886 1.00 0.00 C ATOM 1872 O LYS A 119 5.180 -6.459 16.089 1.00 0.00 O ATOM 1873 CB LYS A 119 7.744 -6.391 13.747 1.00 0.00 C ATOM 1874 CG LYS A 119 8.308 -7.046 12.472 1.00 0.00 C ATOM 1875 CD LYS A 119 9.419 -8.073 12.729 1.00 0.00 C ATOM 1876 CE LYS A 119 9.872 -8.772 11.434 1.00 0.00 C ATOM 1877 NZ LYS A 119 10.414 -7.839 10.412 1.00 0.00 N ATOM 0 H LYS A 119 5.663 -7.454 13.039 1.00 0.00 H new ATOM 0 HA LYS A 119 7.604 -8.105 15.061 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.099 -5.563 13.453 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.573 -5.965 14.312 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.493 -7.535 11.938 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.695 -6.265 11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.273 -7.576 13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.064 -8.820 13.439 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.634 -9.512 11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.027 -9.313 11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.897 -8.382 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 9.635 -7.293 9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.090 -7.188 10.860 1.00 0.00 H new ATOM 1891 N SER A 120 7.295 -5.964 16.679 1.00 0.00 N ATOM 1892 CA SER A 120 6.937 -5.119 17.813 1.00 0.00 C ATOM 1893 C SER A 120 6.148 -3.881 17.362 1.00 0.00 C ATOM 1894 O SER A 120 6.274 -3.429 16.219 1.00 0.00 O ATOM 1895 CB SER A 120 8.231 -4.705 18.532 1.00 0.00 C ATOM 1896 OG SER A 120 9.049 -5.839 18.790 1.00 0.00 O ATOM 0 H SER A 120 8.301 -6.070 16.549 1.00 0.00 H new ATOM 0 HA SER A 120 6.292 -5.677 18.492 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.778 -3.987 17.921 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.988 -4.205 19.470 1.00 0.00 H new ATOM 0 HG SER A 120 9.868 -5.554 19.246 1.00 0.00 H new ATOM 1902 N ARG A 121 5.367 -3.284 18.272 1.00 0.00 N ATOM 1903 CA ARG A 121 4.568 -2.092 17.961 1.00 0.00 C ATOM 1904 C ARG A 121 5.450 -0.924 17.520 1.00 0.00 C ATOM 1905 O ARG A 121 5.037 -0.149 16.663 1.00 0.00 O ATOM 1906 CB ARG A 121 3.688 -1.713 19.168 1.00 0.00 C ATOM 1907 CG ARG A 121 2.533 -0.781 18.766 1.00 0.00 C ATOM 1908 CD ARG A 121 1.653 -0.394 19.962 1.00 0.00 C ATOM 1909 NE ARG A 121 2.199 0.771 20.684 1.00 0.00 N ATOM 1910 CZ ARG A 121 1.884 2.055 20.453 1.00 0.00 C ATOM 1911 NH1 ARG A 121 0.972 2.402 19.553 1.00 0.00 N ATOM 1912 NH2 ARG A 121 2.478 3.036 21.116 1.00 0.00 N ATOM 0 H ARG A 121 5.272 -3.609 19.234 1.00 0.00 H new ATOM 0 HA ARG A 121 3.914 -2.328 17.121 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.283 -2.618 19.620 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.301 -1.225 19.925 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.940 0.122 18.310 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.920 -1.272 18.010 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.645 -0.168 19.615 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.572 -1.240 20.644 1.00 0.00 H new ATOM 0 HE ARG A 121 2.876 0.584 21.424 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.488 1.684 19.014 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.755 3.387 19.401 1.00 0.00 H new ATOM 0 HH21 ARG A 121 3.188 2.822 21.816 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.225 4.006 20.926 1.00 0.00 H new ATOM 1926 N GLU A 122 6.672 -0.819 18.046 1.00 0.00 N ATOM 1927 CA GLU A 122 7.625 0.205 17.625 1.00 0.00 C ATOM 1928 C GLU A 122 7.957 0.052 16.135 1.00 0.00 C ATOM 1929 O GLU A 122 8.047 1.050 15.421 1.00 0.00 O ATOM 1930 CB GLU A 122 8.870 0.116 18.522 1.00 0.00 C ATOM 1931 CG GLU A 122 9.860 1.285 18.367 1.00 0.00 C ATOM 1932 CD GLU A 122 10.757 1.239 17.111 1.00 0.00 C ATOM 1933 OE1 GLU A 122 11.240 0.151 16.725 1.00 0.00 O ATOM 1934 OE2 GLU A 122 11.055 2.317 16.547 1.00 0.00 O ATOM 0 H GLU A 122 7.026 -1.440 18.773 1.00 0.00 H new ATOM 0 HA GLU A 122 7.192 1.199 17.740 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.549 0.066 19.562 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.392 -0.816 18.304 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.295 2.217 18.354 1.00 0.00 H new ATOM 0 HG3 GLU A 122 10.501 1.314 19.248 1.00 0.00 H new ATOM 1941 N THR A 123 8.077 -1.183 15.640 1.00 0.00 N ATOM 1942 CA THR A 123 8.346 -1.438 14.232 1.00 0.00 C ATOM 1943 C THR A 123 7.124 -1.047 13.394 1.00 0.00 C ATOM 1944 O THR A 123 7.277 -0.389 12.364 1.00 0.00 O ATOM 1945 CB THR A 123 8.711 -2.920 14.039 1.00 0.00 C ATOM 1946 OG1 THR A 123 9.507 -3.408 15.109 1.00 0.00 O ATOM 1947 CG2 THR A 123 9.455 -3.155 12.721 1.00 0.00 C ATOM 0 H THR A 123 7.990 -2.027 16.206 1.00 0.00 H new ATOM 0 HA THR A 123 9.190 -0.834 13.898 1.00 0.00 H new ATOM 0 HB THR A 123 7.767 -3.464 14.018 1.00 0.00 H new ATOM 0 HG1 THR A 123 9.851 -4.297 14.882 1.00 0.00 H new ATOM 0 HG21 THR A 123 9.695 -4.214 12.622 1.00 0.00 H new ATOM 0 HG22 THR A 123 8.824 -2.847 11.887 1.00 0.00 H new ATOM 0 HG23 THR A 123 10.376 -2.572 12.714 1.00 0.00 H new ATOM 1955 N PHE A 124 5.909 -1.378 13.851 1.00 0.00 N ATOM 1956 CA PHE A 124 4.686 -0.923 13.195 1.00 0.00 C ATOM 1957 C PHE A 124 4.632 0.607 13.151 1.00 0.00 C ATOM 1958 O PHE A 124 4.239 1.155 12.127 1.00 0.00 O ATOM 1959 CB PHE A 124 3.438 -1.483 13.892 1.00 0.00 C ATOM 1960 CG PHE A 124 3.023 -2.870 13.449 1.00 0.00 C ATOM 1961 CD1 PHE A 124 2.154 -3.019 12.349 1.00 0.00 C ATOM 1962 CD2 PHE A 124 3.461 -4.008 14.152 1.00 0.00 C ATOM 1963 CE1 PHE A 124 1.712 -4.299 11.971 1.00 0.00 C ATOM 1964 CE2 PHE A 124 3.003 -5.283 13.781 1.00 0.00 C ATOM 1965 CZ PHE A 124 2.122 -5.426 12.697 1.00 0.00 C ATOM 0 H PHE A 124 5.752 -1.960 14.674 1.00 0.00 H new ATOM 0 HA PHE A 124 4.699 -1.300 12.172 1.00 0.00 H new ATOM 0 HB2 PHE A 124 3.618 -1.500 14.967 1.00 0.00 H new ATOM 0 HB3 PHE A 124 2.607 -0.799 13.719 1.00 0.00 H new ATOM 0 HD1 PHE A 124 1.828 -2.150 11.797 1.00 0.00 H new ATOM 0 HD2 PHE A 124 4.150 -3.901 14.977 1.00 0.00 H new ATOM 0 HE1 PHE A 124 1.056 -4.414 11.121 1.00 0.00 H new ATOM 0 HE2 PHE A 124 3.329 -6.154 14.330 1.00 0.00 H new ATOM 0 HZ PHE A 124 1.760 -6.406 12.422 1.00 0.00 H new ATOM 1975 N ALA A 125 5.033 1.306 14.219 1.00 0.00 N ATOM 1976 CA ALA A 125 5.001 2.763 14.267 1.00 0.00 C ATOM 1977 C ALA A 125 6.019 3.371 13.297 1.00 0.00 C ATOM 1978 O ALA A 125 5.700 4.340 12.605 1.00 0.00 O ATOM 1979 CB ALA A 125 5.253 3.244 15.701 1.00 0.00 C ATOM 0 H ALA A 125 5.388 0.873 15.072 1.00 0.00 H new ATOM 0 HA ALA A 125 4.012 3.098 13.954 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.228 4.333 15.729 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.481 2.846 16.359 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.230 2.895 16.035 1.00 0.00 H new ATOM 1985 N ALA A 126 7.223 2.797 13.206 1.00 0.00 N ATOM 1986 CA ALA A 126 8.232 3.229 12.246 1.00 0.00 C ATOM 1987 C ALA A 126 7.704 3.071 10.820 1.00 0.00 C ATOM 1988 O ALA A 126 7.756 4.020 10.035 1.00 0.00 O ATOM 1989 CB ALA A 126 9.525 2.430 12.451 1.00 0.00 C ATOM 0 H ALA A 126 7.521 2.021 13.797 1.00 0.00 H new ATOM 0 HA ALA A 126 8.455 4.284 12.407 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.274 2.758 11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.898 2.594 13.462 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.324 1.369 12.307 1.00 0.00 H new ATOM 1995 N VAL A 127 7.147 1.899 10.497 1.00 0.00 N ATOM 1996 CA VAL A 127 6.576 1.648 9.181 1.00 0.00 C ATOM 1997 C VAL A 127 5.400 2.596 8.936 1.00 0.00 C ATOM 1998 O VAL A 127 5.346 3.186 7.862 1.00 0.00 O ATOM 1999 CB VAL A 127 6.219 0.155 9.024 1.00 0.00 C ATOM 2000 CG1 VAL A 127 5.445 -0.116 7.726 1.00 0.00 C ATOM 2001 CG2 VAL A 127 7.511 -0.677 8.996 1.00 0.00 C ATOM 0 H VAL A 127 7.082 1.108 11.138 1.00 0.00 H new ATOM 0 HA VAL A 127 7.311 1.860 8.405 1.00 0.00 H new ATOM 0 HB VAL A 127 5.589 -0.122 9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 127 5.214 -1.179 7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.518 0.458 7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 127 6.053 0.181 6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 127 7.262 -1.732 8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.130 -0.360 8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.059 -0.529 9.927 1.00 0.00 H new ATOM 2011 N TYR A 128 4.508 2.818 9.906 1.00 0.00 N ATOM 2012 CA TYR A 128 3.397 3.753 9.751 1.00 0.00 C ATOM 2013 C TYR A 128 3.924 5.146 9.409 1.00 0.00 C ATOM 2014 O TYR A 128 3.405 5.780 8.497 1.00 0.00 O ATOM 2015 CB TYR A 128 2.531 3.785 11.023 1.00 0.00 C ATOM 2016 CG TYR A 128 1.307 4.681 10.909 1.00 0.00 C ATOM 2017 CD1 TYR A 128 1.443 6.082 10.999 1.00 0.00 C ATOM 2018 CD2 TYR A 128 0.038 4.122 10.667 1.00 0.00 C ATOM 2019 CE1 TYR A 128 0.335 6.921 10.803 1.00 0.00 C ATOM 2020 CE2 TYR A 128 -1.086 4.954 10.507 1.00 0.00 C ATOM 2021 CZ TYR A 128 -0.943 6.360 10.582 1.00 0.00 C ATOM 2022 OH TYR A 128 -2.025 7.176 10.438 1.00 0.00 O ATOM 0 H TYR A 128 4.538 2.356 10.815 1.00 0.00 H new ATOM 0 HA TYR A 128 2.767 3.414 8.929 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.207 2.771 11.257 1.00 0.00 H new ATOM 0 HB3 TYR A 128 3.142 4.125 11.859 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.408 6.513 11.221 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.074 3.050 10.604 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.459 7.994 10.821 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -2.058 4.519 10.327 1.00 0.00 H new ATOM 0 HH TYR A 128 -2.827 6.633 10.292 1.00 0.00 H new ATOM 2032 N THR A 129 4.962 5.619 10.100 1.00 0.00 N ATOM 2033 CA THR A 129 5.518 6.948 9.867 1.00 0.00 C ATOM 2034 C THR A 129 6.092 7.040 8.444 1.00 0.00 C ATOM 2035 O THR A 129 5.846 8.016 7.733 1.00 0.00 O ATOM 2036 CB THR A 129 6.570 7.251 10.952 1.00 0.00 C ATOM 2037 OG1 THR A 129 6.022 7.054 12.246 1.00 0.00 O ATOM 2038 CG2 THR A 129 7.074 8.696 10.881 1.00 0.00 C ATOM 0 H THR A 129 5.437 5.093 10.833 1.00 0.00 H new ATOM 0 HA THR A 129 4.737 7.705 9.939 1.00 0.00 H new ATOM 0 HB THR A 129 7.400 6.569 10.771 1.00 0.00 H new ATOM 0 HG1 THR A 129 5.968 6.094 12.436 1.00 0.00 H new ATOM 0 HG21 THR A 129 7.813 8.862 11.665 1.00 0.00 H new ATOM 0 HG22 THR A 129 7.531 8.875 9.908 1.00 0.00 H new ATOM 0 HG23 THR A 129 6.237 9.380 11.020 1.00 0.00 H new ATOM 2046 N LEU A 130 6.816 6.012 7.994 1.00 0.00 N ATOM 2047 CA LEU A 130 7.397 5.977 6.656 1.00 0.00 C ATOM 2048 C LEU A 130 6.307 5.871 5.581 1.00 0.00 C ATOM 2049 O LEU A 130 6.400 6.516 4.535 1.00 0.00 O ATOM 2050 CB LEU A 130 8.410 4.820 6.616 1.00 0.00 C ATOM 2051 CG LEU A 130 9.173 4.626 5.293 1.00 0.00 C ATOM 2052 CD1 LEU A 130 9.764 5.921 4.721 1.00 0.00 C ATOM 2053 CD2 LEU A 130 10.335 3.657 5.548 1.00 0.00 C ATOM 0 H LEU A 130 7.014 5.181 8.551 1.00 0.00 H new ATOM 0 HA LEU A 130 7.922 6.906 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.139 4.976 7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.881 3.895 6.845 1.00 0.00 H new ATOM 0 HG LEU A 130 8.453 4.249 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.286 5.702 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 130 8.962 6.633 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.465 6.349 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 130 10.891 3.504 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.998 4.075 6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.942 2.702 5.897 1.00 0.00 H new ATOM 2065 N LEU A 131 5.240 5.113 5.844 1.00 0.00 N ATOM 2066 CA LEU A 131 4.072 5.044 4.972 1.00 0.00 C ATOM 2067 C LEU A 131 3.339 6.384 4.953 1.00 0.00 C ATOM 2068 O LEU A 131 2.840 6.759 3.899 1.00 0.00 O ATOM 2069 CB LEU A 131 3.111 3.916 5.402 1.00 0.00 C ATOM 2070 CG LEU A 131 3.623 2.483 5.153 1.00 0.00 C ATOM 2071 CD1 LEU A 131 2.633 1.464 5.725 1.00 0.00 C ATOM 2072 CD2 LEU A 131 3.812 2.175 3.666 1.00 0.00 C ATOM 0 H LEU A 131 5.165 4.527 6.675 1.00 0.00 H new ATOM 0 HA LEU A 131 4.424 4.819 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 131 2.898 4.028 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 131 2.167 4.044 4.872 1.00 0.00 H new ATOM 0 HG LEU A 131 4.592 2.412 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 131 3.004 0.455 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.525 1.624 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.664 1.587 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.174 1.153 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.859 2.284 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.538 2.868 3.240 1.00 0.00 H new ATOM 2084 N GLU A 132 3.276 7.122 6.067 1.00 0.00 N ATOM 2085 CA GLU A 132 2.631 8.432 6.116 1.00 0.00 C ATOM 2086 C GLU A 132 3.389 9.407 5.219 1.00 0.00 C ATOM 2087 O GLU A 132 2.776 10.052 4.369 1.00 0.00 O ATOM 2088 CB GLU A 132 2.556 8.951 7.562 1.00 0.00 C ATOM 2089 CG GLU A 132 1.671 10.204 7.685 1.00 0.00 C ATOM 2090 CD GLU A 132 2.194 11.174 8.756 1.00 0.00 C ATOM 2091 OE1 GLU A 132 1.878 11.001 9.956 1.00 0.00 O ATOM 2092 OE2 GLU A 132 2.929 12.120 8.392 1.00 0.00 O ATOM 0 H GLU A 132 3.672 6.825 6.959 1.00 0.00 H new ATOM 0 HA GLU A 132 1.609 8.341 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.163 8.166 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.561 9.182 7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 132 1.629 10.714 6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.652 9.906 7.932 1.00 0.00 H new ATOM 2099 N ARG A 133 4.721 9.473 5.352 1.00 0.00 N ATOM 2100 CA ARG A 133 5.556 10.288 4.460 1.00 0.00 C ATOM 2101 C ARG A 133 5.271 9.930 3.007 1.00 0.00 C ATOM 2102 O ARG A 133 4.976 10.810 2.200 1.00 0.00 O ATOM 2103 CB ARG A 133 7.056 10.082 4.736 1.00 0.00 C ATOM 2104 CG ARG A 133 7.509 10.701 6.061 1.00 0.00 C ATOM 2105 CD ARG A 133 8.999 10.439 6.332 1.00 0.00 C ATOM 2106 NE ARG A 133 9.884 11.061 5.324 1.00 0.00 N ATOM 2107 CZ ARG A 133 10.860 10.457 4.627 1.00 0.00 C ATOM 2108 NH1 ARG A 133 11.117 9.161 4.787 1.00 0.00 N ATOM 2109 NH2 ARG A 133 11.584 11.155 3.760 1.00 0.00 N ATOM 0 H ARG A 133 5.243 8.971 6.070 1.00 0.00 H new ATOM 0 HA ARG A 133 5.308 11.333 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 133 7.275 9.014 4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 133 7.633 10.518 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.326 11.775 6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 133 6.913 10.291 6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.256 10.821 7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.176 9.364 6.350 1.00 0.00 H new ATOM 0 HE ARG A 133 9.738 12.053 5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 133 10.569 8.610 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 133 11.862 8.719 4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.399 12.149 3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.326 10.697 3.230 1.00 0.00 H new ATOM 2123 N SER A 134 5.321 8.637 2.696 1.00 0.00 N ATOM 2124 CA SER A 134 5.132 8.143 1.344 1.00 0.00 C ATOM 2125 C SER A 134 3.750 8.548 0.820 1.00 0.00 C ATOM 2126 O SER A 134 3.651 9.091 -0.278 1.00 0.00 O ATOM 2127 CB SER A 134 5.325 6.624 1.324 1.00 0.00 C ATOM 2128 OG SER A 134 6.603 6.258 1.819 1.00 0.00 O ATOM 0 H SER A 134 5.495 7.903 3.382 1.00 0.00 H new ATOM 0 HA SER A 134 5.874 8.588 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 134 4.550 6.149 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.208 6.254 0.305 1.00 0.00 H new ATOM 0 HG SER A 134 6.608 6.328 2.796 1.00 0.00 H new ATOM 2134 N ALA A 135 2.694 8.350 1.614 1.00 0.00 N ATOM 2135 CA ALA A 135 1.329 8.671 1.215 1.00 0.00 C ATOM 2136 C ALA A 135 1.145 10.171 1.004 1.00 0.00 C ATOM 2137 O ALA A 135 0.492 10.570 0.041 1.00 0.00 O ATOM 2138 CB ALA A 135 0.340 8.175 2.275 1.00 0.00 C ATOM 0 H ALA A 135 2.767 7.961 2.554 1.00 0.00 H new ATOM 0 HA ALA A 135 1.134 8.168 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.677 8.420 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.436 7.095 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.556 8.657 3.228 1.00 0.00 H new ATOM 2144 N ARG A 136 1.727 11.006 1.871 1.00 0.00 N ATOM 2145 CA ARG A 136 1.683 12.458 1.711 1.00 0.00 C ATOM 2146 C ARG A 136 2.372 12.850 0.410 1.00 0.00 C ATOM 2147 O ARG A 136 1.839 13.668 -0.333 1.00 0.00 O ATOM 2148 CB ARG A 136 2.349 13.143 2.919 1.00 0.00 C ATOM 2149 CG ARG A 136 1.478 13.051 4.182 1.00 0.00 C ATOM 2150 CD ARG A 136 2.244 13.385 5.468 1.00 0.00 C ATOM 2151 NE ARG A 136 2.761 14.764 5.484 1.00 0.00 N ATOM 2152 CZ ARG A 136 3.500 15.300 6.464 1.00 0.00 C ATOM 2153 NH1 ARG A 136 3.792 14.605 7.561 1.00 0.00 N ATOM 2154 NH2 ARG A 136 3.949 16.545 6.341 1.00 0.00 N ATOM 0 H ARG A 136 2.238 10.694 2.697 1.00 0.00 H new ATOM 0 HA ARG A 136 0.645 12.789 1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.317 12.680 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.538 14.190 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 136 0.632 13.732 4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.069 12.044 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.587 13.239 6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.075 12.689 5.581 1.00 0.00 H new ATOM 0 HE ARG A 136 2.539 15.358 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.452 13.649 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.356 15.028 8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 136 3.730 17.086 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 136 4.512 16.960 7.083 1.00 0.00 H new ATOM 2168 N GLN A 137 3.526 12.257 0.103 1.00 0.00 N ATOM 2169 CA GLN A 137 4.277 12.566 -1.105 1.00 0.00 C ATOM 2170 C GLN A 137 3.537 12.078 -2.359 1.00 0.00 C ATOM 2171 O GLN A 137 3.485 12.807 -3.351 1.00 0.00 O ATOM 2172 CB GLN A 137 5.694 11.991 -0.985 1.00 0.00 C ATOM 2173 CG GLN A 137 6.501 12.763 0.071 1.00 0.00 C ATOM 2174 CD GLN A 137 7.831 12.109 0.443 1.00 0.00 C ATOM 2175 OE1 GLN A 137 7.922 10.919 0.732 1.00 0.00 O ATOM 2176 NE2 GLN A 137 8.897 12.894 0.473 1.00 0.00 N ATOM 0 H GLN A 137 3.964 11.547 0.690 1.00 0.00 H new ATOM 0 HA GLN A 137 4.365 13.647 -1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 137 5.643 10.937 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.199 12.047 -1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 137 6.695 13.769 -0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 137 5.895 12.866 0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 137 8.810 13.881 0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 137 9.805 12.512 0.738 1.00 0.00 H new ATOM 2185 N TRP A 138 2.898 10.903 -2.320 1.00 0.00 N ATOM 2186 CA TRP A 138 2.035 10.466 -3.413 1.00 0.00 C ATOM 2187 C TRP A 138 0.857 11.420 -3.576 1.00 0.00 C ATOM 2188 O TRP A 138 0.616 11.859 -4.696 1.00 0.00 O ATOM 2189 CB TRP A 138 1.589 9.006 -3.250 1.00 0.00 C ATOM 2190 CG TRP A 138 2.625 8.033 -3.720 1.00 0.00 C ATOM 2191 CD1 TRP A 138 3.444 7.310 -2.931 1.00 0.00 C ATOM 2192 CD2 TRP A 138 3.059 7.758 -5.089 1.00 0.00 C ATOM 2193 NE1 TRP A 138 4.371 6.645 -3.698 1.00 0.00 N ATOM 2194 CE2 TRP A 138 4.201 6.902 -5.040 1.00 0.00 C ATOM 2195 CE3 TRP A 138 2.659 8.221 -6.360 1.00 0.00 C ATOM 2196 CZ2 TRP A 138 4.933 6.558 -6.184 1.00 0.00 C ATOM 2197 CZ3 TRP A 138 3.393 7.892 -7.515 1.00 0.00 C ATOM 2198 CH2 TRP A 138 4.540 7.084 -7.425 1.00 0.00 C ATOM 0 H TRP A 138 2.964 10.243 -1.545 1.00 0.00 H new ATOM 0 HA TRP A 138 2.616 10.498 -4.335 1.00 0.00 H new ATOM 0 HB2 TRP A 138 1.364 8.813 -2.201 1.00 0.00 H new ATOM 0 HB3 TRP A 138 0.666 8.847 -3.808 1.00 0.00 H new ATOM 0 HD1 TRP A 138 3.381 7.260 -1.854 1.00 0.00 H new ATOM 0 HE1 TRP A 138 5.096 6.036 -3.319 1.00 0.00 H new ATOM 0 HE3 TRP A 138 1.776 8.837 -6.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 5.786 5.899 -6.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 3.073 8.263 -8.477 1.00 0.00 H new ATOM 0 HH2 TRP A 138 5.119 6.868 -8.311 1.00 0.00 H new ATOM 2209 N ALA A 139 0.167 11.812 -2.502 1.00 0.00 N ATOM 2210 CA ALA A 139 -0.929 12.772 -2.590 1.00 0.00 C ATOM 2211 C ALA A 139 -0.451 14.103 -3.180 1.00 0.00 C ATOM 2212 O ALA A 139 -1.126 14.670 -4.039 1.00 0.00 O ATOM 2213 CB ALA A 139 -1.562 12.974 -1.208 1.00 0.00 C ATOM 0 H ALA A 139 0.352 11.475 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.688 12.372 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -2.379 13.692 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.948 12.023 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.810 13.351 -0.515 1.00 0.00 H new ATOM 2219 N GLN A 140 0.726 14.582 -2.766 1.00 0.00 N ATOM 2220 CA GLN A 140 1.330 15.829 -3.220 1.00 0.00 C ATOM 2221 C GLN A 140 1.514 15.825 -4.743 1.00 0.00 C ATOM 2222 O GLN A 140 1.308 16.864 -5.370 1.00 0.00 O ATOM 2223 CB GLN A 140 2.654 16.040 -2.454 1.00 0.00 C ATOM 2224 CG GLN A 140 3.532 17.226 -2.879 1.00 0.00 C ATOM 2225 CD GLN A 140 2.851 18.582 -2.676 1.00 0.00 C ATOM 2226 OE1 GLN A 140 3.039 19.244 -1.658 1.00 0.00 O ATOM 2227 NE2 GLN A 140 2.045 19.029 -3.628 1.00 0.00 N ATOM 0 H GLN A 140 1.301 14.091 -2.081 1.00 0.00 H new ATOM 0 HA GLN A 140 0.673 16.671 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 140 2.417 16.158 -1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.247 15.130 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.461 17.204 -2.310 1.00 0.00 H new ATOM 0 HG3 GLN A 140 3.799 17.114 -3.930 1.00 0.00 H new ATOM 0 HE21 GLN A 140 1.894 18.474 -4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 140 1.576 19.928 -3.519 1.00 0.00 H new ATOM 2236 N ALA A 141 1.869 14.683 -5.339 1.00 0.00 N ATOM 2237 CA ALA A 141 2.018 14.576 -6.786 1.00 0.00 C ATOM 2238 C ALA A 141 0.674 14.306 -7.466 1.00 0.00 C ATOM 2239 O ALA A 141 0.306 15.014 -8.403 1.00 0.00 O ATOM 2240 CB ALA A 141 3.007 13.458 -7.109 1.00 0.00 C ATOM 0 H ALA A 141 2.059 13.817 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 141 2.396 15.524 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 141 3.121 13.374 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 141 3.973 13.685 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 141 2.633 12.515 -6.710 1.00 0.00 H new ATOM 2246 N LEU A 142 -0.068 13.304 -6.991 1.00 0.00 N ATOM 2247 CA LEU A 142 -1.289 12.814 -7.627 1.00 0.00 C ATOM 2248 C LEU A 142 -2.346 13.917 -7.685 1.00 0.00 C ATOM 2249 O LEU A 142 -2.940 14.126 -8.744 1.00 0.00 O ATOM 2250 CB LEU A 142 -1.835 11.580 -6.880 1.00 0.00 C ATOM 2251 CG LEU A 142 -0.976 10.299 -6.998 1.00 0.00 C ATOM 2252 CD1 LEU A 142 -1.476 9.251 -5.998 1.00 0.00 C ATOM 2253 CD2 LEU A 142 -1.009 9.679 -8.397 1.00 0.00 C ATOM 0 H LEU A 142 0.169 12.801 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.046 12.517 -8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.938 11.832 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -2.835 11.362 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 142 0.051 10.596 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -0.870 8.349 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -1.398 9.647 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -2.517 9.010 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -0.387 8.784 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -2.035 9.413 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.629 10.398 -9.123 1.00 0.00 H new