USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 665 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 50 ASN : amide:sc= 0.616 K(o=0.57,f=-12!) USER MOD Set 1.2: A 58 THR OG1 : rot -150:sc= -0.0476 USER MOD Set 2.1: A 27 ASN : amide:sc= 1.11 K(o=3.1,f=-1.6) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -164:sc= 1.95 (180deg=1.22) USER MOD Set 3.1: A 10 THR OG1 : rot 140:sc= -0.0362 USER MOD Set 3.2: A 11 THR OG1 : rot 71:sc= 1.38 USER MOD Set 3.3: A 14 CYS SG : rot -86:sc= 1.95 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0604 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.835 USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 1.05 (180deg=0.35) USER MOD Single : A 22 THR OG1 : rot -85:sc= 1.25 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.0444 X(o=0.044,f=-0.32) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= 1.07 (180deg=0.944) USER MOD Single : A 65 SER OG : rot 93:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot -130:sc= 0 USER MOD Single : A 68 THR OG1 : rot -78:sc= 0.817 USER MOD Single : A 69 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.7) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.21) USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.17) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.801 6.858 8.655 1.00 0.00 N ATOM 2 CA MET A 1 13.731 5.873 8.467 1.00 0.00 C ATOM 3 C MET A 1 12.414 6.593 8.299 1.00 0.00 C ATOM 4 O MET A 1 12.198 7.628 8.916 1.00 0.00 O ATOM 5 CB MET A 1 13.668 4.900 9.665 1.00 0.00 C ATOM 6 CG MET A 1 12.531 3.883 9.606 1.00 0.00 C ATOM 7 SD MET A 1 12.553 2.895 8.093 1.00 0.00 S ATOM 8 CE MET A 1 11.119 1.843 8.366 1.00 0.00 C ATOM 0 H1 MET A 1 15.418 6.556 9.436 1.00 0.00 H new ATOM 0 H2 MET A 1 15.360 6.934 7.781 1.00 0.00 H new ATOM 0 H3 MET A 1 14.385 7.784 8.881 1.00 0.00 H new ATOM 0 HA MET A 1 13.938 5.287 7.571 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.614 4.363 9.728 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.569 5.481 10.582 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.598 3.220 10.469 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.578 4.406 9.679 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.994 1.171 7.517 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.265 1.258 9.274 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.228 2.462 8.472 1.00 0.00 H new ATOM 20 N VAL A 2 11.547 6.071 7.463 1.00 0.00 N ATOM 21 CA VAL A 2 10.264 6.683 7.245 1.00 0.00 C ATOM 22 C VAL A 2 9.266 6.047 8.199 1.00 0.00 C ATOM 23 O VAL A 2 9.120 4.825 8.213 1.00 0.00 O ATOM 24 CB VAL A 2 9.789 6.507 5.782 1.00 0.00 C ATOM 25 CG1 VAL A 2 8.478 7.233 5.558 1.00 0.00 C ATOM 26 CG2 VAL A 2 10.846 7.006 4.803 1.00 0.00 C ATOM 0 H VAL A 2 11.711 5.221 6.923 1.00 0.00 H new ATOM 0 HA VAL A 2 10.344 7.754 7.430 1.00 0.00 H new ATOM 0 HB VAL A 2 9.633 5.443 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.159 7.098 4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.719 6.828 6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.611 8.296 5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.489 6.872 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.039 8.063 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.767 6.440 4.942 1.00 0.00 H new ATOM 36 N THR A 3 8.607 6.861 8.999 1.00 0.00 N ATOM 37 CA THR A 3 7.688 6.363 9.998 1.00 0.00 C ATOM 38 C THR A 3 6.379 5.830 9.348 1.00 0.00 C ATOM 39 O THR A 3 5.863 4.771 9.735 1.00 0.00 O ATOM 40 CB THR A 3 7.419 7.432 11.117 1.00 0.00 C ATOM 41 OG1 THR A 3 6.668 6.868 12.199 1.00 0.00 O ATOM 42 CG2 THR A 3 6.683 8.653 10.574 1.00 0.00 C ATOM 0 H THR A 3 8.693 7.877 8.975 1.00 0.00 H new ATOM 0 HA THR A 3 8.158 5.513 10.492 1.00 0.00 H new ATOM 0 HB THR A 3 8.395 7.752 11.483 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.515 7.553 12.883 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.517 9.367 11.381 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.282 9.121 9.793 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.723 8.345 10.160 1.00 0.00 H new ATOM 50 N ALA A 4 5.861 6.536 8.357 1.00 0.00 N ATOM 51 CA ALA A 4 4.707 6.060 7.641 1.00 0.00 C ATOM 52 C ALA A 4 5.124 5.731 6.235 1.00 0.00 C ATOM 53 O ALA A 4 4.926 6.516 5.304 1.00 0.00 O ATOM 54 CB ALA A 4 3.546 7.048 7.674 1.00 0.00 C ATOM 0 H ALA A 4 6.224 7.434 8.037 1.00 0.00 H new ATOM 0 HA ALA A 4 4.331 5.163 8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.703 6.637 7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.248 7.225 8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.856 7.989 7.220 1.00 0.00 H new ATOM 60 N ALA A 5 5.757 4.583 6.116 1.00 0.00 N ATOM 61 CA ALA A 5 6.342 4.110 4.872 1.00 0.00 C ATOM 62 C ALA A 5 5.288 3.957 3.785 1.00 0.00 C ATOM 63 O ALA A 5 5.370 4.594 2.716 1.00 0.00 O ATOM 64 CB ALA A 5 7.035 2.782 5.137 1.00 0.00 C ATOM 0 H ALA A 5 5.884 3.937 6.895 1.00 0.00 H new ATOM 0 HA ALA A 5 7.065 4.843 4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.480 2.413 4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.816 2.922 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.307 2.058 5.504 1.00 0.00 H new ATOM 70 N LEU A 6 4.310 3.137 4.056 1.00 0.00 N ATOM 71 CA LEU A 6 3.228 2.917 3.148 1.00 0.00 C ATOM 72 C LEU A 6 1.978 2.647 3.923 1.00 0.00 C ATOM 73 O LEU A 6 1.989 1.888 4.892 1.00 0.00 O ATOM 74 CB LEU A 6 3.497 1.788 2.110 1.00 0.00 C ATOM 75 CG LEU A 6 3.757 0.353 2.637 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.675 -0.642 1.511 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.123 0.240 3.272 1.00 0.00 C ATOM 0 H LEU A 6 4.245 2.600 4.921 1.00 0.00 H new ATOM 0 HA LEU A 6 3.115 3.827 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.641 1.745 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.359 2.084 1.512 1.00 0.00 H new ATOM 0 HG LEU A 6 2.993 0.141 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.860 -1.644 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.682 -0.603 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.424 -0.400 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.274 -0.778 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.888 0.482 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.194 0.934 4.109 1.00 0.00 H new ATOM 89 N THR A 7 0.943 3.310 3.552 1.00 0.00 N ATOM 90 CA THR A 7 -0.316 3.153 4.173 1.00 0.00 C ATOM 91 C THR A 7 -1.280 2.504 3.192 1.00 0.00 C ATOM 92 O THR A 7 -1.477 2.991 2.071 1.00 0.00 O ATOM 93 CB THR A 7 -0.845 4.512 4.646 1.00 0.00 C ATOM 94 OG1 THR A 7 0.149 5.114 5.506 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.140 4.343 5.421 1.00 0.00 C ATOM 0 H THR A 7 0.951 3.990 2.792 1.00 0.00 H new ATOM 0 HA THR A 7 -0.217 2.510 5.047 1.00 0.00 H new ATOM 0 HB THR A 7 -1.041 5.144 3.780 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.172 5.986 5.817 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.499 5.319 5.748 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.889 3.877 4.781 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.963 3.711 6.292 1.00 0.00 H new ATOM 103 N ILE A 8 -1.813 1.402 3.594 1.00 0.00 N ATOM 104 CA ILE A 8 -2.734 0.652 2.807 1.00 0.00 C ATOM 105 C ILE A 8 -4.156 1.083 3.120 1.00 0.00 C ATOM 106 O ILE A 8 -4.582 1.063 4.282 1.00 0.00 O ATOM 107 CB ILE A 8 -2.576 -0.859 3.090 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.202 -1.353 2.657 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.684 -1.657 2.439 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.927 -2.776 3.062 1.00 0.00 C ATOM 0 H ILE A 8 -1.616 0.985 4.504 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.524 0.839 1.754 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.657 -1.010 4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.118 -1.268 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.438 -0.706 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.545 -2.716 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.647 -1.329 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.659 -1.501 1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.068 -3.065 2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.980 -2.862 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.670 -3.433 2.609 1.00 0.00 H new ATOM 122 N TYR A 9 -4.859 1.486 2.096 1.00 0.00 N ATOM 123 CA TYR A 9 -6.245 1.845 2.206 1.00 0.00 C ATOM 124 C TYR A 9 -7.066 0.735 1.602 1.00 0.00 C ATOM 125 O TYR A 9 -6.907 0.418 0.413 1.00 0.00 O ATOM 126 CB TYR A 9 -6.538 3.142 1.467 1.00 0.00 C ATOM 127 CG TYR A 9 -5.772 4.348 1.939 1.00 0.00 C ATOM 128 CD1 TYR A 9 -5.746 4.704 3.275 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.059 5.115 1.041 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.032 5.801 3.709 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.332 6.216 1.460 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.322 6.555 2.792 1.00 0.00 C ATOM 133 OH TYR A 9 -3.587 7.644 3.211 1.00 0.00 O ATOM 0 H TYR A 9 -4.481 1.575 1.153 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.494 1.991 3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.327 2.991 0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.604 3.355 1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.295 4.112 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.068 4.852 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.027 6.069 4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.776 6.805 0.745 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.149 8.060 2.439 1.00 0.00 H new ATOM 143 N THR A 10 -7.903 0.129 2.400 1.00 0.00 N ATOM 144 CA THR A 10 -8.711 -0.961 1.946 1.00 0.00 C ATOM 145 C THR A 10 -9.849 -1.202 2.935 1.00 0.00 C ATOM 146 O THR A 10 -9.841 -0.663 4.053 1.00 0.00 O ATOM 147 CB THR A 10 -7.838 -2.258 1.800 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.598 -3.352 1.253 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.242 -2.670 3.143 1.00 0.00 C ATOM 0 H THR A 10 -8.041 0.379 3.379 1.00 0.00 H new ATOM 0 HA THR A 10 -9.131 -0.713 0.971 1.00 0.00 H new ATOM 0 HB THR A 10 -7.030 -2.020 1.108 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.044 -3.849 0.615 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.642 -3.571 3.014 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.612 -1.866 3.524 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.046 -2.868 3.852 1.00 0.00 H new ATOM 157 N THR A 11 -10.829 -1.937 2.500 1.00 0.00 N ATOM 158 CA THR A 11 -11.891 -2.404 3.335 1.00 0.00 C ATOM 159 C THR A 11 -11.753 -3.916 3.488 1.00 0.00 C ATOM 160 O THR A 11 -11.052 -4.559 2.690 1.00 0.00 O ATOM 161 CB THR A 11 -13.256 -2.039 2.736 1.00 0.00 C ATOM 162 OG1 THR A 11 -13.094 -1.688 1.350 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.899 -0.890 3.492 1.00 0.00 C ATOM 0 H THR A 11 -10.912 -2.235 1.528 1.00 0.00 H new ATOM 0 HA THR A 11 -11.828 -1.927 4.313 1.00 0.00 H new ATOM 0 HB THR A 11 -13.913 -2.905 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.887 -2.493 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.864 -0.655 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.042 -1.175 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.252 -0.014 3.441 1.00 0.00 H new ATOM 171 N SER A 12 -12.404 -4.480 4.471 1.00 0.00 N ATOM 172 CA SER A 12 -12.289 -5.894 4.758 1.00 0.00 C ATOM 173 C SER A 12 -12.975 -6.771 3.699 1.00 0.00 C ATOM 174 O SER A 12 -12.661 -7.945 3.563 1.00 0.00 O ATOM 175 CB SER A 12 -12.832 -6.177 6.149 1.00 0.00 C ATOM 176 OG SER A 12 -12.107 -5.430 7.120 1.00 0.00 O ATOM 0 H SER A 12 -13.030 -3.976 5.098 1.00 0.00 H new ATOM 0 HA SER A 12 -11.232 -6.157 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.890 -5.917 6.195 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.756 -7.242 6.368 1.00 0.00 H new ATOM 0 HG SER A 12 -12.466 -5.618 8.012 1.00 0.00 H new ATOM 182 N TRP A 13 -13.882 -6.191 2.928 1.00 0.00 N ATOM 183 CA TRP A 13 -14.573 -6.941 1.883 1.00 0.00 C ATOM 184 C TRP A 13 -13.764 -7.012 0.587 1.00 0.00 C ATOM 185 O TRP A 13 -14.194 -7.627 -0.397 1.00 0.00 O ATOM 186 CB TRP A 13 -15.991 -6.400 1.632 1.00 0.00 C ATOM 187 CG TRP A 13 -16.078 -4.929 1.368 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.332 -3.969 2.287 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.934 -4.250 0.109 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.351 -2.744 1.700 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.112 -2.880 0.362 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.672 -4.665 -1.201 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.039 -1.918 -0.641 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.599 -3.711 -2.197 1.00 0.00 C ATOM 195 CH2 TRP A 13 -15.782 -2.351 -1.912 1.00 0.00 C ATOM 0 H TRP A 13 -14.157 -5.212 3.002 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.673 -7.962 2.251 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.419 -6.931 0.782 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.610 -6.634 2.498 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.496 -4.151 3.339 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.518 -1.861 2.183 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.530 -5.711 -1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -16.180 -0.870 -0.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.397 -4.018 -3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -15.719 -1.630 -2.713 1.00 0.00 H new ATOM 206 N CYS A 14 -12.612 -6.389 0.585 1.00 0.00 N ATOM 207 CA CYS A 14 -11.741 -6.415 -0.557 1.00 0.00 C ATOM 208 C CYS A 14 -10.962 -7.725 -0.560 1.00 0.00 C ATOM 209 O CYS A 14 -10.272 -8.042 0.412 1.00 0.00 O ATOM 210 CB CYS A 14 -10.801 -5.220 -0.502 1.00 0.00 C ATOM 211 SG CYS A 14 -11.665 -3.637 -0.476 1.00 0.00 S ATOM 0 H CYS A 14 -12.255 -5.851 1.375 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.321 -6.353 -1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.175 -5.299 0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.136 -5.249 -1.365 1.00 0.00 H new ATOM 0 HG CYS A 14 -11.928 -3.266 -1.694 1.00 0.00 H new ATOM 217 N GLY A 15 -11.076 -8.472 -1.640 1.00 0.00 N ATOM 218 CA GLY A 15 -10.461 -9.785 -1.728 1.00 0.00 C ATOM 219 C GLY A 15 -8.951 -9.751 -1.655 1.00 0.00 C ATOM 220 O GLY A 15 -8.334 -10.622 -1.064 1.00 0.00 O ATOM 0 H GLY A 15 -11.592 -8.192 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.842 -10.410 -0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.761 -10.256 -2.664 1.00 0.00 H new ATOM 224 N TYR A 16 -8.349 -8.743 -2.226 1.00 0.00 N ATOM 225 CA TYR A 16 -6.905 -8.658 -2.221 1.00 0.00 C ATOM 226 C TYR A 16 -6.339 -8.082 -0.932 1.00 0.00 C ATOM 227 O TYR A 16 -5.129 -8.088 -0.746 1.00 0.00 O ATOM 228 CB TYR A 16 -6.347 -7.931 -3.429 1.00 0.00 C ATOM 229 CG TYR A 16 -6.608 -8.607 -4.755 1.00 0.00 C ATOM 230 CD1 TYR A 16 -6.348 -9.956 -4.934 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.101 -7.889 -5.829 1.00 0.00 C ATOM 232 CE1 TYR A 16 -6.587 -10.574 -6.142 1.00 0.00 C ATOM 233 CE2 TYR A 16 -7.341 -8.497 -7.039 1.00 0.00 C ATOM 234 CZ TYR A 16 -7.084 -9.841 -7.189 1.00 0.00 C ATOM 235 OH TYR A 16 -7.328 -10.453 -8.395 1.00 0.00 O ATOM 0 H TYR A 16 -8.826 -7.974 -2.697 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.571 -9.694 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.772 -6.928 -3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.270 -7.817 -3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.951 -10.533 -4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.301 -6.834 -5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.384 -11.628 -6.263 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.729 -7.923 -7.867 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.679 -9.795 -9.031 1.00 0.00 H new ATOM 245 N CYS A 17 -7.210 -7.599 -0.048 1.00 0.00 N ATOM 246 CA CYS A 17 -6.785 -6.988 1.217 1.00 0.00 C ATOM 247 C CYS A 17 -5.842 -7.906 1.999 1.00 0.00 C ATOM 248 O CYS A 17 -4.683 -7.557 2.228 1.00 0.00 O ATOM 249 CB CYS A 17 -7.997 -6.612 2.079 1.00 0.00 C ATOM 250 SG CYS A 17 -7.599 -5.992 3.731 1.00 0.00 S ATOM 0 H CYS A 17 -8.221 -7.618 -0.183 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.238 -6.079 0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.577 -5.853 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.637 -7.488 2.181 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.698 -5.706 4.364 1.00 0.00 H new ATOM 256 N LEU A 18 -6.312 -9.106 2.344 1.00 0.00 N ATOM 257 CA LEU A 18 -5.500 -10.041 3.133 1.00 0.00 C ATOM 258 C LEU A 18 -4.320 -10.574 2.324 1.00 0.00 C ATOM 259 O LEU A 18 -3.304 -10.983 2.886 1.00 0.00 O ATOM 260 CB LEU A 18 -6.328 -11.218 3.708 1.00 0.00 C ATOM 261 CG LEU A 18 -6.786 -12.337 2.749 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.449 -13.433 3.538 1.00 0.00 C ATOM 263 CD2 LEU A 18 -7.750 -11.833 1.705 1.00 0.00 C ATOM 0 H LEU A 18 -7.238 -9.453 2.095 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.118 -9.468 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.739 -11.681 4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.218 -10.799 4.176 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.900 -12.711 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.773 -14.224 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.742 -13.841 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.314 -13.030 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.044 -12.656 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.634 -11.423 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.270 -11.055 1.112 1.00 0.00 H new ATOM 275 N ARG A 19 -4.449 -10.536 1.007 1.00 0.00 N ATOM 276 CA ARG A 19 -3.402 -11.015 0.110 1.00 0.00 C ATOM 277 C ARG A 19 -2.212 -10.081 0.220 1.00 0.00 C ATOM 278 O ARG A 19 -1.082 -10.511 0.426 1.00 0.00 O ATOM 279 CB ARG A 19 -3.905 -11.051 -1.342 1.00 0.00 C ATOM 280 CG ARG A 19 -5.190 -11.837 -1.542 1.00 0.00 C ATOM 281 CD ARG A 19 -5.047 -13.286 -1.133 1.00 0.00 C ATOM 282 NE ARG A 19 -6.322 -13.992 -1.227 1.00 0.00 N ATOM 283 CZ ARG A 19 -6.482 -15.311 -1.091 1.00 0.00 C ATOM 284 NH1 ARG A 19 -5.426 -16.103 -0.946 1.00 0.00 N ATOM 285 NH2 ARG A 19 -7.701 -15.834 -1.135 1.00 0.00 N ATOM 0 H ARG A 19 -5.275 -10.175 0.530 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.116 -12.028 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.062 -10.028 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.128 -11.483 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.989 -11.375 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.485 -11.785 -2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.310 -13.775 -1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.672 -13.342 -0.111 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.156 -13.434 -1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.487 -15.705 -0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.554 -17.110 -0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.511 -15.229 -1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.828 -16.841 -1.032 1.00 0.00 H new ATOM 299 N LEU A 20 -2.502 -8.796 0.138 1.00 0.00 N ATOM 300 CA LEU A 20 -1.503 -7.759 0.256 1.00 0.00 C ATOM 301 C LEU A 20 -0.872 -7.773 1.657 1.00 0.00 C ATOM 302 O LEU A 20 0.349 -7.637 1.797 1.00 0.00 O ATOM 303 CB LEU A 20 -2.137 -6.394 -0.081 1.00 0.00 C ATOM 304 CG LEU A 20 -1.264 -5.141 0.079 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.024 -5.246 -0.724 1.00 0.00 C ATOM 306 CD2 LEU A 20 -2.041 -3.907 -0.347 1.00 0.00 C ATOM 0 H LEU A 20 -3.447 -8.443 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.698 -7.943 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.484 -6.431 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.019 -6.270 0.547 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.995 -5.057 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.614 -4.340 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.596 -6.108 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.215 -5.365 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.413 -3.023 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.337 -4.006 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.931 -3.805 0.274 1.00 0.00 H new ATOM 318 N LYS A 21 -1.702 -7.991 2.683 1.00 0.00 N ATOM 319 CA LYS A 21 -1.218 -8.049 4.072 1.00 0.00 C ATOM 320 C LYS A 21 -0.198 -9.174 4.234 1.00 0.00 C ATOM 321 O LYS A 21 0.928 -8.959 4.711 1.00 0.00 O ATOM 322 CB LYS A 21 -2.365 -8.304 5.065 1.00 0.00 C ATOM 323 CG LYS A 21 -3.528 -7.324 5.021 1.00 0.00 C ATOM 324 CD LYS A 21 -3.095 -5.881 5.185 1.00 0.00 C ATOM 325 CE LYS A 21 -4.306 -4.965 5.277 1.00 0.00 C ATOM 326 NZ LYS A 21 -5.130 -5.259 6.467 1.00 0.00 N ATOM 0 H LYS A 21 -2.707 -8.130 2.582 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.763 -7.082 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.755 -9.306 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.951 -8.298 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.053 -7.434 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.238 -7.576 5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.486 -5.778 6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.472 -5.585 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.974 -3.927 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.913 -5.075 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.799 -4.479 6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.657 -6.142 6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.514 -5.363 7.299 1.00 0.00 H new ATOM 340 N THR A 22 -0.578 -10.365 3.798 1.00 0.00 N ATOM 341 CA THR A 22 0.262 -11.525 3.946 1.00 0.00 C ATOM 342 C THR A 22 1.523 -11.445 3.087 1.00 0.00 C ATOM 343 O THR A 22 2.588 -11.941 3.484 1.00 0.00 O ATOM 344 CB THR A 22 -0.512 -12.837 3.697 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.297 -12.728 2.498 1.00 0.00 O ATOM 346 CG2 THR A 22 -1.413 -13.161 4.877 1.00 0.00 C ATOM 0 H THR A 22 -1.470 -10.546 3.337 1.00 0.00 H new ATOM 0 HA THR A 22 0.589 -11.535 4.986 1.00 0.00 H new ATOM 0 HB THR A 22 0.211 -13.645 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.156 -12.306 2.707 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.949 -14.089 4.681 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.808 -13.274 5.776 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.129 -12.352 5.021 1.00 0.00 H new ATOM 354 N ALA A 23 1.414 -10.795 1.941 1.00 0.00 N ATOM 355 CA ALA A 23 2.545 -10.608 1.059 1.00 0.00 C ATOM 356 C ALA A 23 3.592 -9.708 1.715 1.00 0.00 C ATOM 357 O ALA A 23 4.798 -10.019 1.709 1.00 0.00 O ATOM 358 CB ALA A 23 2.087 -10.023 -0.270 1.00 0.00 C ATOM 0 H ALA A 23 0.544 -10.386 1.601 1.00 0.00 H new ATOM 0 HA ALA A 23 3.003 -11.579 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.948 -9.887 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.377 -10.703 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.607 -9.060 -0.097 1.00 0.00 H new ATOM 364 N LEU A 24 3.135 -8.622 2.324 1.00 0.00 N ATOM 365 CA LEU A 24 4.046 -7.673 2.952 1.00 0.00 C ATOM 366 C LEU A 24 4.648 -8.241 4.226 1.00 0.00 C ATOM 367 O LEU A 24 5.852 -8.087 4.467 1.00 0.00 O ATOM 368 CB LEU A 24 3.375 -6.330 3.256 1.00 0.00 C ATOM 369 CG LEU A 24 2.709 -5.558 2.109 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.230 -4.226 2.615 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.634 -5.342 0.933 1.00 0.00 C ATOM 0 H LEU A 24 2.148 -8.377 2.397 1.00 0.00 H new ATOM 0 HA LEU A 24 4.842 -7.496 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.617 -6.506 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.128 -5.678 3.699 1.00 0.00 H new ATOM 0 HG LEU A 24 1.873 -6.163 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.757 -3.676 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.508 -4.380 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.077 -3.655 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.108 -4.791 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.505 -4.772 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.956 -6.307 0.541 1.00 0.00 H new ATOM 383 N THR A 25 3.836 -8.926 5.018 1.00 0.00 N ATOM 384 CA THR A 25 4.302 -9.473 6.276 1.00 0.00 C ATOM 385 C THR A 25 5.388 -10.562 6.026 1.00 0.00 C ATOM 386 O THR A 25 6.318 -10.719 6.815 1.00 0.00 O ATOM 387 CB THR A 25 3.105 -10.019 7.150 1.00 0.00 C ATOM 388 OG1 THR A 25 3.501 -10.135 8.521 1.00 0.00 O ATOM 389 CG2 THR A 25 2.634 -11.388 6.681 1.00 0.00 C ATOM 0 H THR A 25 2.855 -9.114 4.810 1.00 0.00 H new ATOM 0 HA THR A 25 4.763 -8.669 6.849 1.00 0.00 H new ATOM 0 HB THR A 25 2.289 -9.304 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.749 -10.473 9.051 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.810 -11.725 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.297 -11.322 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.457 -12.099 6.750 1.00 0.00 H new ATOM 397 N ALA A 26 5.298 -11.246 4.881 1.00 0.00 N ATOM 398 CA ALA A 26 6.251 -12.296 4.527 1.00 0.00 C ATOM 399 C ALA A 26 7.568 -11.701 4.060 1.00 0.00 C ATOM 400 O ALA A 26 8.633 -12.257 4.293 1.00 0.00 O ATOM 401 CB ALA A 26 5.673 -13.185 3.442 1.00 0.00 C ATOM 0 H ALA A 26 4.571 -11.088 4.183 1.00 0.00 H new ATOM 0 HA ALA A 26 6.440 -12.895 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.393 -13.963 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.753 -13.646 3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.458 -12.586 2.557 1.00 0.00 H new ATOM 407 N ASN A 27 7.494 -10.542 3.438 1.00 0.00 N ATOM 408 CA ASN A 27 8.683 -9.881 2.897 1.00 0.00 C ATOM 409 C ASN A 27 9.310 -8.932 3.886 1.00 0.00 C ATOM 410 O ASN A 27 10.171 -8.129 3.526 1.00 0.00 O ATOM 411 CB ASN A 27 8.395 -9.186 1.568 1.00 0.00 C ATOM 412 CG ASN A 27 8.416 -10.148 0.398 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.458 -10.345 -0.237 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.298 -10.758 0.109 1.00 0.00 N ATOM 0 H ASN A 27 6.624 -10.030 3.290 1.00 0.00 H new ATOM 0 HA ASN A 27 9.411 -10.669 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.420 -8.701 1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.134 -8.402 1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.265 -11.423 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.458 -10.569 0.656 1.00 0.00 H new ATOM 421 N ARG A 28 8.866 -9.045 5.142 1.00 0.00 N ATOM 422 CA ARG A 28 9.403 -8.290 6.292 1.00 0.00 C ATOM 423 C ARG A 28 9.216 -6.786 6.078 1.00 0.00 C ATOM 424 O ARG A 28 10.015 -5.967 6.547 1.00 0.00 O ATOM 425 CB ARG A 28 10.906 -8.601 6.512 1.00 0.00 C ATOM 426 CG ARG A 28 11.279 -10.080 6.436 1.00 0.00 C ATOM 427 CD ARG A 28 10.482 -10.952 7.384 1.00 0.00 C ATOM 428 NE ARG A 28 10.801 -12.367 7.178 1.00 0.00 N ATOM 429 CZ ARG A 28 10.030 -13.404 7.539 1.00 0.00 C ATOM 430 NH1 ARG A 28 8.880 -13.204 8.198 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.411 -14.636 7.236 1.00 0.00 N ATOM 0 H ARG A 28 8.107 -9.676 5.399 1.00 0.00 H new ATOM 0 HA ARG A 28 8.851 -8.599 7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.487 -8.057 5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.201 -8.217 7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.128 -10.433 5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.340 -10.191 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.700 -10.671 8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.416 -10.788 7.228 1.00 0.00 H new ATOM 0 HE ARG A 28 11.687 -12.583 6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.583 -12.256 8.430 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.302 -14.000 8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.284 -14.790 6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.831 -15.430 7.507 1.00 0.00 H new ATOM 445 N ILE A 29 8.142 -6.433 5.420 1.00 0.00 N ATOM 446 CA ILE A 29 7.866 -5.058 5.094 1.00 0.00 C ATOM 447 C ILE A 29 7.117 -4.381 6.236 1.00 0.00 C ATOM 448 O ILE A 29 6.183 -4.953 6.804 1.00 0.00 O ATOM 449 CB ILE A 29 7.041 -4.961 3.781 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.823 -5.624 2.634 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.721 -3.503 3.447 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.078 -5.721 1.335 1.00 0.00 C ATOM 0 H ILE A 29 7.434 -7.091 5.095 1.00 0.00 H new ATOM 0 HA ILE A 29 8.816 -4.545 4.945 1.00 0.00 H new ATOM 0 HB ILE A 29 6.095 -5.485 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.742 -5.062 2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.115 -6.627 2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.143 -3.460 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.142 -3.062 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.650 -2.947 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.710 -6.202 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.172 -6.311 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.810 -4.721 0.994 1.00 0.00 H new ATOM 464 N ALA A 30 7.563 -3.201 6.591 1.00 0.00 N ATOM 465 CA ALA A 30 6.925 -2.392 7.601 1.00 0.00 C ATOM 466 C ALA A 30 5.911 -1.504 6.925 1.00 0.00 C ATOM 467 O ALA A 30 6.259 -0.753 6.020 1.00 0.00 O ATOM 468 CB ALA A 30 7.959 -1.544 8.284 1.00 0.00 C ATOM 0 H ALA A 30 8.391 -2.769 6.181 1.00 0.00 H new ATOM 0 HA ALA A 30 6.436 -3.025 8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.480 -0.931 9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.706 -2.186 8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.442 -0.898 7.551 1.00 0.00 H new ATOM 474 N TYR A 31 4.680 -1.580 7.344 1.00 0.00 N ATOM 475 CA TYR A 31 3.620 -0.840 6.696 1.00 0.00 C ATOM 476 C TYR A 31 2.575 -0.389 7.690 1.00 0.00 C ATOM 477 O TYR A 31 2.643 -0.716 8.877 1.00 0.00 O ATOM 478 CB TYR A 31 2.959 -1.692 5.591 1.00 0.00 C ATOM 479 CG TYR A 31 2.360 -2.999 6.084 1.00 0.00 C ATOM 480 CD1 TYR A 31 3.143 -4.130 6.203 1.00 0.00 C ATOM 481 CD2 TYR A 31 1.016 -3.093 6.429 1.00 0.00 C ATOM 482 CE1 TYR A 31 2.617 -5.320 6.653 1.00 0.00 C ATOM 483 CE2 TYR A 31 0.477 -4.282 6.879 1.00 0.00 C ATOM 484 CZ TYR A 31 1.285 -5.393 6.990 1.00 0.00 C ATOM 485 OH TYR A 31 0.759 -6.582 7.445 1.00 0.00 O ATOM 0 H TYR A 31 4.379 -2.149 8.135 1.00 0.00 H new ATOM 0 HA TYR A 31 4.067 0.045 6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.175 -1.103 5.115 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.702 -1.913 4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.189 -4.080 5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.384 -2.222 6.344 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.247 -6.193 6.741 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.569 -4.341 7.142 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.194 -6.465 7.640 1.00 0.00 H new ATOM 495 N ASP A 32 1.631 0.365 7.202 1.00 0.00 N ATOM 496 CA ASP A 32 0.516 0.830 7.985 1.00 0.00 C ATOM 497 C ASP A 32 -0.760 0.509 7.224 1.00 0.00 C ATOM 498 O ASP A 32 -0.780 0.582 5.998 1.00 0.00 O ATOM 499 CB ASP A 32 0.624 2.339 8.227 1.00 0.00 C ATOM 500 CG ASP A 32 -0.460 2.846 9.138 1.00 0.00 C ATOM 501 OD1 ASP A 32 -0.336 2.672 10.353 1.00 0.00 O ATOM 502 OD2 ASP A 32 -1.458 3.394 8.660 1.00 0.00 O ATOM 0 H ASP A 32 1.612 0.681 6.232 1.00 0.00 H new ATOM 0 HA ASP A 32 0.510 0.336 8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.598 2.567 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.570 2.863 7.273 1.00 0.00 H new ATOM 507 N GLU A 33 -1.784 0.126 7.923 1.00 0.00 N ATOM 508 CA GLU A 33 -3.055 -0.228 7.317 1.00 0.00 C ATOM 509 C GLU A 33 -4.181 0.509 8.014 1.00 0.00 C ATOM 510 O GLU A 33 -4.291 0.467 9.255 1.00 0.00 O ATOM 511 CB GLU A 33 -3.284 -1.748 7.397 1.00 0.00 C ATOM 512 CG GLU A 33 -2.934 -2.356 8.750 1.00 0.00 C ATOM 513 CD GLU A 33 -3.565 -3.698 8.974 1.00 0.00 C ATOM 514 OE1 GLU A 33 -3.199 -4.676 8.304 1.00 0.00 O ATOM 515 OE2 GLU A 33 -4.484 -3.788 9.802 1.00 0.00 O ATOM 0 H GLU A 33 -1.773 0.046 8.940 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.037 0.063 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.330 -1.960 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.688 -2.236 6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.851 -2.453 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.251 -1.676 9.540 1.00 0.00 H new ATOM 522 N VAL A 34 -4.989 1.199 7.251 1.00 0.00 N ATOM 523 CA VAL A 34 -6.106 1.914 7.803 1.00 0.00 C ATOM 524 C VAL A 34 -7.336 1.737 6.900 1.00 0.00 C ATOM 525 O VAL A 34 -7.240 1.797 5.667 1.00 0.00 O ATOM 526 CB VAL A 34 -5.767 3.422 8.082 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.453 4.197 6.830 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.855 4.108 8.878 1.00 0.00 C ATOM 0 H VAL A 34 -4.891 1.280 6.239 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.342 1.488 8.778 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.859 3.412 8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.227 5.231 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.592 3.751 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.313 4.170 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.580 5.149 9.048 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.793 4.067 8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.978 3.604 9.836 1.00 0.00 H new ATOM 538 N ASP A 35 -8.456 1.447 7.517 1.00 0.00 N ATOM 539 CA ASP A 35 -9.712 1.169 6.814 1.00 0.00 C ATOM 540 C ASP A 35 -10.285 2.395 6.080 1.00 0.00 C ATOM 541 O ASP A 35 -10.264 3.517 6.595 1.00 0.00 O ATOM 542 CB ASP A 35 -10.714 0.643 7.847 1.00 0.00 C ATOM 543 CG ASP A 35 -12.153 0.759 7.434 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.562 0.123 6.449 1.00 0.00 O ATOM 545 OD2 ASP A 35 -12.914 1.476 8.117 1.00 0.00 O ATOM 0 H ASP A 35 -8.535 1.394 8.533 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.517 0.431 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.491 -0.404 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.572 1.186 8.781 1.00 0.00 H new ATOM 550 N ILE A 36 -10.826 2.160 4.890 1.00 0.00 N ATOM 551 CA ILE A 36 -11.429 3.223 4.092 1.00 0.00 C ATOM 552 C ILE A 36 -12.868 3.511 4.464 1.00 0.00 C ATOM 553 O ILE A 36 -13.390 4.557 4.117 1.00 0.00 O ATOM 554 CB ILE A 36 -11.326 3.017 2.562 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.997 1.714 2.120 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.890 3.078 2.117 1.00 0.00 C ATOM 557 CD1 ILE A 36 -12.032 1.506 0.621 1.00 0.00 C ATOM 0 H ILE A 36 -10.860 1.238 4.454 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.820 4.091 4.346 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.866 3.830 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.473 0.876 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.018 1.698 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.837 2.931 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.471 4.052 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.320 2.296 2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.524 0.560 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.583 2.322 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.014 1.487 0.232 1.00 0.00 H new ATOM 569 N GLU A 37 -13.523 2.582 5.141 1.00 0.00 N ATOM 570 CA GLU A 37 -14.918 2.773 5.486 1.00 0.00 C ATOM 571 C GLU A 37 -15.042 3.897 6.506 1.00 0.00 C ATOM 572 O GLU A 37 -15.878 4.785 6.366 1.00 0.00 O ATOM 573 CB GLU A 37 -15.541 1.473 6.010 1.00 0.00 C ATOM 574 CG GLU A 37 -17.025 1.559 6.354 1.00 0.00 C ATOM 575 CD GLU A 37 -17.865 1.955 5.171 1.00 0.00 C ATOM 576 OE1 GLU A 37 -18.076 1.126 4.273 1.00 0.00 O ATOM 577 OE2 GLU A 37 -18.322 3.101 5.100 1.00 0.00 O ATOM 0 H GLU A 37 -13.117 1.701 5.458 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.469 3.053 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.402 0.694 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.995 1.160 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.364 0.594 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.168 2.283 7.156 1.00 0.00 H new ATOM 584 N HIS A 38 -14.195 3.878 7.507 1.00 0.00 N ATOM 585 CA HIS A 38 -14.201 4.931 8.503 1.00 0.00 C ATOM 586 C HIS A 38 -13.633 6.239 7.914 1.00 0.00 C ATOM 587 O HIS A 38 -14.130 7.326 8.200 1.00 0.00 O ATOM 588 CB HIS A 38 -13.417 4.511 9.754 1.00 0.00 C ATOM 589 CG HIS A 38 -13.586 5.450 10.919 1.00 0.00 C ATOM 590 ND1 HIS A 38 -12.638 6.356 11.338 1.00 0.00 N ATOM 591 CD2 HIS A 38 -14.634 5.596 11.766 1.00 0.00 C ATOM 592 CE1 HIS A 38 -13.123 7.008 12.392 1.00 0.00 C ATOM 593 NE2 HIS A 38 -14.338 6.584 12.698 1.00 0.00 N ATOM 0 H HIS A 38 -13.495 3.151 7.656 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.234 5.109 8.800 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.737 3.513 10.054 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.358 4.445 9.503 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.555 5.033 11.723 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -12.594 7.782 12.928 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.933 6.913 13.458 1.00 0.00 H new ATOM 601 N ASN A 39 -12.629 6.124 7.066 1.00 0.00 N ATOM 602 CA ASN A 39 -12.002 7.312 6.482 1.00 0.00 C ATOM 603 C ASN A 39 -12.665 7.693 5.177 1.00 0.00 C ATOM 604 O ASN A 39 -12.303 7.188 4.106 1.00 0.00 O ATOM 605 CB ASN A 39 -10.491 7.149 6.274 1.00 0.00 C ATOM 606 CG ASN A 39 -9.717 6.962 7.551 1.00 0.00 C ATOM 607 OD1 ASN A 39 -9.304 7.923 8.200 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.476 5.742 7.915 1.00 0.00 N ATOM 0 H ASN A 39 -12.228 5.236 6.764 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.145 8.115 7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.314 6.292 5.624 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.109 8.027 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.932 5.559 8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.830 4.964 7.358 1.00 0.00 H new ATOM 615 N ARG A 40 -13.631 8.583 5.277 1.00 0.00 N ATOM 616 CA ARG A 40 -14.423 9.059 4.145 1.00 0.00 C ATOM 617 C ARG A 40 -13.537 9.621 3.026 1.00 0.00 C ATOM 618 O ARG A 40 -13.699 9.265 1.855 1.00 0.00 O ATOM 619 CB ARG A 40 -15.430 10.116 4.633 1.00 0.00 C ATOM 620 CG ARG A 40 -16.343 10.681 3.551 1.00 0.00 C ATOM 621 CD ARG A 40 -17.336 11.682 4.132 1.00 0.00 C ATOM 622 NE ARG A 40 -18.237 11.056 5.119 1.00 0.00 N ATOM 623 CZ ARG A 40 -18.954 11.710 6.052 1.00 0.00 C ATOM 624 NH1 ARG A 40 -18.939 13.039 6.113 1.00 0.00 N ATOM 625 NH2 ARG A 40 -19.706 11.017 6.901 1.00 0.00 N ATOM 0 H ARG A 40 -13.899 9.009 6.164 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.965 8.212 3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.048 9.674 5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.879 10.939 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.742 11.166 2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.884 9.868 3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -16.792 12.500 4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.927 12.116 3.326 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.324 10.040 5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.380 13.574 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.487 13.523 6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.736 9.999 6.842 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.253 11.503 7.612 1.00 0.00 H new ATOM 639 N ALA A 41 -12.571 10.441 3.399 1.00 0.00 N ATOM 640 CA ALA A 41 -11.686 11.074 2.431 1.00 0.00 C ATOM 641 C ALA A 41 -10.735 10.066 1.816 1.00 0.00 C ATOM 642 O ALA A 41 -10.407 10.173 0.645 1.00 0.00 O ATOM 643 CB ALA A 41 -10.920 12.224 3.069 1.00 0.00 C ATOM 0 H ALA A 41 -12.377 10.687 4.370 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.304 11.480 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.266 12.681 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.624 12.969 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.321 11.847 3.898 1.00 0.00 H new ATOM 649 N ALA A 42 -10.328 9.061 2.592 1.00 0.00 N ATOM 650 CA ALA A 42 -9.414 8.034 2.091 1.00 0.00 C ATOM 651 C ALA A 42 -10.101 7.186 1.039 1.00 0.00 C ATOM 652 O ALA A 42 -9.522 6.888 -0.004 1.00 0.00 O ATOM 653 CB ALA A 42 -8.891 7.158 3.215 1.00 0.00 C ATOM 0 H ALA A 42 -10.614 8.936 3.563 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.561 8.540 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.215 6.407 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.355 7.774 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.727 6.664 3.710 1.00 0.00 H new ATOM 659 N ALA A 43 -11.353 6.831 1.301 1.00 0.00 N ATOM 660 CA ALA A 43 -12.146 6.048 0.364 1.00 0.00 C ATOM 661 C ALA A 43 -12.375 6.837 -0.917 1.00 0.00 C ATOM 662 O ALA A 43 -12.285 6.294 -2.025 1.00 0.00 O ATOM 663 CB ALA A 43 -13.477 5.662 0.983 1.00 0.00 C ATOM 0 H ALA A 43 -11.843 7.076 2.161 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.597 5.137 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.055 5.077 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.302 5.068 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.031 6.563 1.247 1.00 0.00 H new ATOM 669 N GLU A 44 -12.655 8.115 -0.758 1.00 0.00 N ATOM 670 CA GLU A 44 -12.870 9.007 -1.875 1.00 0.00 C ATOM 671 C GLU A 44 -11.576 9.175 -2.685 1.00 0.00 C ATOM 672 O GLU A 44 -11.589 9.117 -3.931 1.00 0.00 O ATOM 673 CB GLU A 44 -13.409 10.344 -1.365 1.00 0.00 C ATOM 674 CG GLU A 44 -13.617 11.383 -2.437 1.00 0.00 C ATOM 675 CD GLU A 44 -14.298 12.604 -1.917 1.00 0.00 C ATOM 676 OE1 GLU A 44 -13.630 13.443 -1.277 1.00 0.00 O ATOM 677 OE2 GLU A 44 -15.528 12.741 -2.101 1.00 0.00 O ATOM 0 H GLU A 44 -12.740 8.564 0.154 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.613 8.580 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.357 10.169 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.718 10.740 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.653 11.661 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.210 10.955 -3.245 1.00 0.00 H new ATOM 684 N PHE A 45 -10.467 9.333 -1.973 1.00 0.00 N ATOM 685 CA PHE A 45 -9.155 9.450 -2.581 1.00 0.00 C ATOM 686 C PHE A 45 -8.820 8.199 -3.370 1.00 0.00 C ATOM 687 O PHE A 45 -8.515 8.281 -4.569 1.00 0.00 O ATOM 688 CB PHE A 45 -8.069 9.739 -1.521 1.00 0.00 C ATOM 689 CG PHE A 45 -6.658 9.718 -2.064 1.00 0.00 C ATOM 690 CD1 PHE A 45 -6.262 10.616 -3.033 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.732 8.787 -1.607 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.981 10.588 -3.535 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.451 8.761 -2.105 1.00 0.00 C ATOM 694 CZ PHE A 45 -4.075 9.659 -3.072 1.00 0.00 C ATOM 0 H PHE A 45 -10.456 9.383 -0.954 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.178 10.295 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.261 10.715 -1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.151 9.002 -0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.965 11.349 -3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.023 8.074 -0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.685 11.297 -4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.742 8.035 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.071 9.638 -3.469 1.00 0.00 H new ATOM 704 N VAL A 46 -8.928 7.034 -2.735 1.00 0.00 N ATOM 705 CA VAL A 46 -8.584 5.813 -3.422 1.00 0.00 C ATOM 706 C VAL A 46 -9.540 5.486 -4.519 1.00 0.00 C ATOM 707 O VAL A 46 -9.182 4.802 -5.422 1.00 0.00 O ATOM 708 CB VAL A 46 -8.341 4.582 -2.532 1.00 0.00 C ATOM 709 CG1 VAL A 46 -7.336 4.872 -1.493 1.00 0.00 C ATOM 710 CG2 VAL A 46 -9.588 4.010 -1.935 1.00 0.00 C ATOM 0 H VAL A 46 -9.243 6.920 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.610 6.047 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.951 3.808 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.183 3.986 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.395 5.153 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.686 5.692 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.334 3.146 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.074 4.764 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.265 3.703 -2.732 1.00 0.00 H new ATOM 720 N GLY A 47 -10.748 6.026 -4.450 1.00 0.00 N ATOM 721 CA GLY A 47 -11.733 5.802 -5.488 1.00 0.00 C ATOM 722 C GLY A 47 -11.291 6.367 -6.824 1.00 0.00 C ATOM 723 O GLY A 47 -11.695 5.883 -7.877 1.00 0.00 O ATOM 0 H GLY A 47 -11.066 6.621 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.915 4.732 -5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.678 6.260 -5.196 1.00 0.00 H new ATOM 727 N SER A 48 -10.430 7.364 -6.778 1.00 0.00 N ATOM 728 CA SER A 48 -9.936 7.993 -7.981 1.00 0.00 C ATOM 729 C SER A 48 -8.749 7.201 -8.565 1.00 0.00 C ATOM 730 O SER A 48 -8.477 7.261 -9.750 1.00 0.00 O ATOM 731 CB SER A 48 -9.504 9.419 -7.661 1.00 0.00 C ATOM 732 OG SER A 48 -10.553 10.144 -6.997 1.00 0.00 O ATOM 0 H SER A 48 -10.058 7.756 -5.913 1.00 0.00 H new ATOM 0 HA SER A 48 -10.733 8.008 -8.725 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.616 9.400 -7.029 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.229 9.934 -8.582 1.00 0.00 H new ATOM 0 HG SER A 48 -10.248 11.055 -6.802 1.00 0.00 H new ATOM 738 N VAL A 49 -8.077 6.441 -7.722 1.00 0.00 N ATOM 739 CA VAL A 49 -6.866 5.711 -8.114 1.00 0.00 C ATOM 740 C VAL A 49 -7.100 4.210 -8.045 1.00 0.00 C ATOM 741 O VAL A 49 -6.161 3.400 -8.102 1.00 0.00 O ATOM 742 CB VAL A 49 -5.663 6.088 -7.207 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.386 7.570 -7.299 1.00 0.00 C ATOM 744 CG2 VAL A 49 -5.944 5.731 -5.768 1.00 0.00 C ATOM 0 H VAL A 49 -8.346 6.306 -6.747 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.632 5.994 -9.140 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.794 5.527 -7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.541 7.823 -6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.151 7.833 -8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.266 8.125 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.088 6.004 -5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.826 6.272 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.122 4.659 -5.687 1.00 0.00 H new ATOM 754 N ASN A 50 -8.336 3.847 -7.945 1.00 0.00 N ATOM 755 CA ASN A 50 -8.703 2.489 -7.709 1.00 0.00 C ATOM 756 C ASN A 50 -8.862 1.731 -9.013 1.00 0.00 C ATOM 757 O ASN A 50 -8.498 2.232 -10.089 1.00 0.00 O ATOM 758 CB ASN A 50 -9.989 2.434 -6.922 1.00 0.00 C ATOM 759 CG ASN A 50 -9.861 1.403 -5.850 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.326 0.277 -5.975 1.00 0.00 O ATOM 761 ND2 ASN A 50 -9.130 1.748 -4.845 1.00 0.00 N ATOM 0 H ASN A 50 -9.125 4.488 -8.025 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.906 2.016 -7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.203 3.408 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.823 2.191 -7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.918 1.071 -4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.764 2.698 -4.783 1.00 0.00 H new ATOM 768 N GLY A 51 -9.363 0.519 -8.931 1.00 0.00 N ATOM 769 CA GLY A 51 -9.625 -0.250 -10.115 1.00 0.00 C ATOM 770 C GLY A 51 -11.022 0.031 -10.617 1.00 0.00 C ATOM 771 O GLY A 51 -11.905 -0.833 -10.555 1.00 0.00 O ATOM 0 H GLY A 51 -9.595 0.050 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.896 -0.003 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.514 -1.313 -9.900 1.00 0.00 H new ATOM 775 N GLY A 52 -11.238 1.253 -11.049 1.00 0.00 N ATOM 776 CA GLY A 52 -12.528 1.660 -11.540 1.00 0.00 C ATOM 777 C GLY A 52 -13.358 2.247 -10.427 1.00 0.00 C ATOM 778 O GLY A 52 -13.566 3.466 -10.362 1.00 0.00 O ATOM 0 H GLY A 52 -10.528 1.985 -11.069 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.405 2.395 -12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.045 0.804 -11.974 1.00 0.00 H new ATOM 782 N ASN A 53 -13.817 1.387 -9.565 1.00 0.00 N ATOM 783 CA ASN A 53 -14.582 1.759 -8.381 1.00 0.00 C ATOM 784 C ASN A 53 -13.715 1.488 -7.191 1.00 0.00 C ATOM 785 O ASN A 53 -12.747 0.748 -7.316 1.00 0.00 O ATOM 786 CB ASN A 53 -15.869 0.910 -8.259 1.00 0.00 C ATOM 787 CG ASN A 53 -16.979 1.301 -9.221 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.739 1.851 -10.294 1.00 0.00 O ATOM 789 ND2 ASN A 53 -18.200 0.986 -8.861 1.00 0.00 N ATOM 0 H ASN A 53 -13.674 0.381 -9.656 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.871 2.808 -8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.615 -0.137 -8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.245 0.989 -7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.984 1.197 -9.478 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -18.366 0.530 -7.964 1.00 0.00 H new ATOM 796 N ARG A 54 -14.029 2.075 -6.044 1.00 0.00 N ATOM 797 CA ARG A 54 -13.254 1.798 -4.839 1.00 0.00 C ATOM 798 C ARG A 54 -13.554 0.371 -4.364 1.00 0.00 C ATOM 799 O ARG A 54 -14.608 0.095 -3.809 1.00 0.00 O ATOM 800 CB ARG A 54 -13.447 2.869 -3.700 1.00 0.00 C ATOM 801 CG ARG A 54 -14.818 2.935 -2.981 1.00 0.00 C ATOM 802 CD ARG A 54 -15.966 3.381 -3.878 1.00 0.00 C ATOM 803 NE ARG A 54 -17.236 3.417 -3.142 1.00 0.00 N ATOM 804 CZ ARG A 54 -18.346 4.078 -3.510 1.00 0.00 C ATOM 805 NH1 ARG A 54 -18.343 4.873 -4.578 1.00 0.00 N ATOM 806 NH2 ARG A 54 -19.448 3.970 -2.778 1.00 0.00 N ATOM 0 H ARG A 54 -14.798 2.733 -5.921 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.198 1.874 -5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.683 2.692 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.249 3.851 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.050 1.952 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.742 3.621 -2.137 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.750 4.369 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.054 2.701 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.279 2.891 -2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.491 4.986 -5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.193 5.369 -4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.449 3.387 -1.941 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.294 4.470 -3.053 1.00 0.00 H new ATOM 820 N THR A 55 -12.661 -0.532 -4.670 1.00 0.00 N ATOM 821 CA THR A 55 -12.879 -1.915 -4.360 1.00 0.00 C ATOM 822 C THR A 55 -11.561 -2.668 -4.087 1.00 0.00 C ATOM 823 O THR A 55 -11.576 -3.756 -3.494 1.00 0.00 O ATOM 824 CB THR A 55 -13.674 -2.595 -5.517 1.00 0.00 C ATOM 825 OG1 THR A 55 -14.010 -3.957 -5.193 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.878 -2.552 -6.825 1.00 0.00 C ATOM 0 H THR A 55 -11.775 -0.332 -5.134 1.00 0.00 H new ATOM 0 HA THR A 55 -13.464 -1.962 -3.441 1.00 0.00 H new ATOM 0 HB THR A 55 -14.600 -2.035 -5.648 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.509 -4.356 -5.936 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.453 -3.032 -7.617 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.681 -1.515 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.933 -3.078 -6.693 1.00 0.00 H new ATOM 834 N VAL A 56 -10.438 -2.117 -4.504 1.00 0.00 N ATOM 835 CA VAL A 56 -9.167 -2.770 -4.276 1.00 0.00 C ATOM 836 C VAL A 56 -8.259 -1.942 -3.383 1.00 0.00 C ATOM 837 O VAL A 56 -8.304 -0.695 -3.416 1.00 0.00 O ATOM 838 CB VAL A 56 -8.411 -3.159 -5.588 1.00 0.00 C ATOM 839 CG1 VAL A 56 -9.103 -4.306 -6.310 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.290 -1.978 -6.517 1.00 0.00 C ATOM 0 H VAL A 56 -10.381 -1.227 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.420 -3.700 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.412 -3.483 -5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.551 -4.551 -7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.135 -5.179 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.119 -4.011 -6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.760 -2.279 -7.421 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.285 -1.620 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.738 -1.180 -6.021 1.00 0.00 H new ATOM 850 N PRO A 57 -7.456 -2.626 -2.548 1.00 0.00 N ATOM 851 CA PRO A 57 -6.482 -1.995 -1.672 1.00 0.00 C ATOM 852 C PRO A 57 -5.523 -1.114 -2.455 1.00 0.00 C ATOM 853 O PRO A 57 -4.938 -1.534 -3.471 1.00 0.00 O ATOM 854 CB PRO A 57 -5.715 -3.180 -1.045 1.00 0.00 C ATOM 855 CG PRO A 57 -6.086 -4.363 -1.864 1.00 0.00 C ATOM 856 CD PRO A 57 -7.459 -4.078 -2.378 1.00 0.00 C ATOM 0 HA PRO A 57 -6.957 -1.350 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.639 -3.008 -1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.994 -3.321 -0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.383 -4.509 -2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.072 -5.274 -1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.652 -4.593 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.227 -4.400 -1.675 1.00 0.00 H new ATOM 864 N THR A 58 -5.405 0.095 -2.031 1.00 0.00 N ATOM 865 CA THR A 58 -4.509 1.011 -2.644 1.00 0.00 C ATOM 866 C THR A 58 -3.441 1.330 -1.657 1.00 0.00 C ATOM 867 O THR A 58 -3.717 1.540 -0.470 1.00 0.00 O ATOM 868 CB THR A 58 -5.233 2.286 -3.057 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.404 1.934 -3.802 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.344 3.182 -3.908 1.00 0.00 C ATOM 0 H THR A 58 -5.930 0.478 -1.245 1.00 0.00 H new ATOM 0 HA THR A 58 -4.084 0.567 -3.544 1.00 0.00 H new ATOM 0 HB THR A 58 -5.502 2.837 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.605 2.642 -4.449 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.893 4.082 -4.184 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.456 3.459 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.046 2.648 -4.810 1.00 0.00 H new ATOM 878 N VAL A 59 -2.248 1.328 -2.113 1.00 0.00 N ATOM 879 CA VAL A 59 -1.167 1.597 -1.272 1.00 0.00 C ATOM 880 C VAL A 59 -0.670 3.022 -1.509 1.00 0.00 C ATOM 881 O VAL A 59 -0.416 3.433 -2.651 1.00 0.00 O ATOM 882 CB VAL A 59 -0.059 0.539 -1.452 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.536 0.547 -2.843 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.982 0.703 -0.420 1.00 0.00 C ATOM 0 H VAL A 59 -2.001 1.138 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.487 1.533 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.523 -0.439 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.310 -0.217 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.245 0.339 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.973 1.525 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.756 -0.051 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.423 1.696 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.537 0.585 0.568 1.00 0.00 H new ATOM 894 N LYS A 60 -0.611 3.779 -0.454 1.00 0.00 N ATOM 895 CA LYS A 60 -0.196 5.145 -0.515 1.00 0.00 C ATOM 896 C LYS A 60 1.140 5.245 0.205 1.00 0.00 C ATOM 897 O LYS A 60 1.215 5.042 1.420 1.00 0.00 O ATOM 898 CB LYS A 60 -1.276 6.007 0.170 1.00 0.00 C ATOM 899 CG LYS A 60 -1.335 7.495 -0.221 1.00 0.00 C ATOM 900 CD LYS A 60 -0.141 8.306 0.225 1.00 0.00 C ATOM 901 CE LYS A 60 -0.028 8.405 1.745 1.00 0.00 C ATOM 902 NZ LYS A 60 1.160 9.190 2.159 1.00 0.00 N ATOM 0 H LYS A 60 -0.853 3.459 0.484 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.076 5.498 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.249 5.562 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.125 5.946 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.425 7.570 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.237 7.934 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.768 7.856 -0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.211 9.309 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.929 8.869 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.032 7.403 2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.329 9.054 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.992 8.869 1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.993 10.199 1.968 1.00 0.00 H new ATOM 916 N PHE A 61 2.178 5.511 -0.539 1.00 0.00 N ATOM 917 CA PHE A 61 3.522 5.592 0.018 1.00 0.00 C ATOM 918 C PHE A 61 3.780 6.948 0.640 1.00 0.00 C ATOM 919 O PHE A 61 2.999 7.881 0.466 1.00 0.00 O ATOM 920 CB PHE A 61 4.571 5.369 -1.072 1.00 0.00 C ATOM 921 CG PHE A 61 4.565 4.019 -1.710 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.768 3.770 -2.810 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.380 3.002 -1.225 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.779 2.543 -3.418 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.391 1.770 -1.832 1.00 0.00 C ATOM 926 CZ PHE A 61 4.590 1.542 -2.930 1.00 0.00 C ATOM 0 H PHE A 61 2.129 5.679 -1.544 1.00 0.00 H new ATOM 0 HA PHE A 61 3.596 4.817 0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.425 6.119 -1.850 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.557 5.543 -0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.129 4.551 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.008 3.182 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.153 2.360 -4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.025 0.983 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.598 0.575 -3.410 1.00 0.00 H new ATOM 936 N ALA A 62 4.902 7.069 1.337 1.00 0.00 N ATOM 937 CA ALA A 62 5.372 8.366 1.850 1.00 0.00 C ATOM 938 C ALA A 62 5.819 9.235 0.677 1.00 0.00 C ATOM 939 O ALA A 62 6.002 10.436 0.796 1.00 0.00 O ATOM 940 CB ALA A 62 6.518 8.163 2.811 1.00 0.00 C ATOM 0 H ALA A 62 5.513 6.284 1.565 1.00 0.00 H new ATOM 0 HA ALA A 62 4.560 8.861 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.856 9.130 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.187 7.548 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.340 7.664 2.297 1.00 0.00 H new ATOM 946 N ASP A 63 5.996 8.569 -0.448 1.00 0.00 N ATOM 947 CA ASP A 63 6.307 9.175 -1.739 1.00 0.00 C ATOM 948 C ASP A 63 5.064 9.891 -2.288 1.00 0.00 C ATOM 949 O ASP A 63 5.147 10.723 -3.165 1.00 0.00 O ATOM 950 CB ASP A 63 6.766 8.046 -2.679 1.00 0.00 C ATOM 951 CG ASP A 63 6.894 8.412 -4.136 1.00 0.00 C ATOM 952 OD1 ASP A 63 7.779 9.199 -4.505 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.161 7.839 -4.951 1.00 0.00 O ATOM 0 H ASP A 63 5.926 7.553 -0.495 1.00 0.00 H new ATOM 0 HA ASP A 63 7.097 9.920 -1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.732 7.680 -2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.061 7.219 -2.593 1.00 0.00 H new ATOM 958 N GLY A 64 3.912 9.536 -1.741 1.00 0.00 N ATOM 959 CA GLY A 64 2.650 10.169 -2.097 1.00 0.00 C ATOM 960 C GLY A 64 1.951 9.507 -3.263 1.00 0.00 C ATOM 961 O GLY A 64 0.728 9.622 -3.406 1.00 0.00 O ATOM 0 H GLY A 64 3.825 8.802 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.988 10.154 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.833 11.216 -2.340 1.00 0.00 H new ATOM 965 N SER A 65 2.704 8.806 -4.074 1.00 0.00 N ATOM 966 CA SER A 65 2.159 8.119 -5.214 1.00 0.00 C ATOM 967 C SER A 65 1.379 6.887 -4.754 1.00 0.00 C ATOM 968 O SER A 65 1.675 6.303 -3.684 1.00 0.00 O ATOM 969 CB SER A 65 3.292 7.711 -6.139 1.00 0.00 C ATOM 970 OG SER A 65 4.178 8.805 -6.366 1.00 0.00 O ATOM 0 H SER A 65 3.712 8.697 -3.961 1.00 0.00 H new ATOM 0 HA SER A 65 1.478 8.780 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.841 6.877 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.885 7.363 -7.089 1.00 0.00 H new ATOM 0 HG SER A 65 4.909 8.775 -5.713 1.00 0.00 H new ATOM 976 N THR A 66 0.404 6.505 -5.527 1.00 0.00 N ATOM 977 CA THR A 66 -0.425 5.379 -5.218 1.00 0.00 C ATOM 978 C THR A 66 -0.324 4.324 -6.302 1.00 0.00 C ATOM 979 O THR A 66 -0.165 4.651 -7.482 1.00 0.00 O ATOM 980 CB THR A 66 -1.892 5.822 -5.081 1.00 0.00 C ATOM 981 OG1 THR A 66 -2.196 6.820 -6.085 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.195 6.357 -3.695 1.00 0.00 C ATOM 0 H THR A 66 0.160 6.973 -6.400 1.00 0.00 H new ATOM 0 HA THR A 66 -0.080 4.955 -4.275 1.00 0.00 H new ATOM 0 HB THR A 66 -2.523 4.947 -5.234 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.627 7.591 -5.660 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.241 6.658 -3.642 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.003 5.580 -2.955 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.559 7.218 -3.490 1.00 0.00 H new ATOM 990 N LEU A 67 -0.359 3.082 -5.908 1.00 0.00 N ATOM 991 CA LEU A 67 -0.412 1.988 -6.848 1.00 0.00 C ATOM 992 C LEU A 67 -1.602 1.126 -6.513 1.00 0.00 C ATOM 993 O LEU A 67 -1.855 0.830 -5.323 1.00 0.00 O ATOM 994 CB LEU A 67 0.883 1.132 -6.858 1.00 0.00 C ATOM 995 CG LEU A 67 2.173 1.779 -7.391 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.339 0.803 -7.269 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.005 2.186 -8.850 1.00 0.00 C ATOM 0 H LEU A 67 -0.352 2.795 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.506 2.410 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.073 0.802 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.688 0.239 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 67 2.380 2.668 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.247 1.271 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.480 0.534 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.124 -0.095 -7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.928 2.642 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.778 1.305 -9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.189 2.903 -8.936 1.00 0.00 H new ATOM 1009 N THR A 68 -2.364 0.785 -7.517 1.00 0.00 N ATOM 1010 CA THR A 68 -3.492 -0.082 -7.357 1.00 0.00 C ATOM 1011 C THR A 68 -2.960 -1.508 -7.112 1.00 0.00 C ATOM 1012 O THR A 68 -2.004 -1.920 -7.791 1.00 0.00 O ATOM 1013 CB THR A 68 -4.365 -0.022 -8.621 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.577 1.362 -8.965 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.714 -0.667 -8.381 1.00 0.00 C ATOM 0 H THR A 68 -2.216 1.105 -8.474 1.00 0.00 H new ATOM 0 HA THR A 68 -4.108 0.224 -6.512 1.00 0.00 H new ATOM 0 HB THR A 68 -3.857 -0.557 -9.423 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.267 1.742 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.311 -0.611 -9.291 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.574 -1.712 -8.103 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.229 -0.144 -7.576 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.621 -2.238 -6.174 1.00 0.00 N ATOM 1024 CA ASN A 69 -3.190 -3.558 -5.603 1.00 0.00 C ATOM 1025 C ASN A 69 -1.941 -4.209 -6.220 1.00 0.00 C ATOM 1026 O ASN A 69 -1.998 -4.926 -7.222 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.360 -4.562 -5.493 1.00 0.00 C ATOM 1028 CG ASN A 69 -3.903 -5.958 -5.053 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -3.688 -6.211 -3.874 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -3.847 -6.883 -5.983 1.00 0.00 N ATOM 0 H ASN A 69 -4.503 -1.917 -5.775 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.863 -3.284 -4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.093 -4.183 -4.781 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.862 -4.636 -6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.619 -7.845 -5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.031 -6.640 -6.956 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.787 -3.851 -5.670 1.00 0.00 N ATOM 1038 CA PRO A 70 0.483 -4.444 -6.004 1.00 0.00 C ATOM 1039 C PRO A 70 0.888 -5.491 -4.975 1.00 0.00 C ATOM 1040 O PRO A 70 0.450 -5.457 -3.826 1.00 0.00 O ATOM 1041 CB PRO A 70 1.441 -3.248 -5.928 1.00 0.00 C ATOM 1042 CG PRO A 70 0.712 -2.186 -5.140 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.610 -2.763 -4.719 1.00 0.00 C ATOM 0 HA PRO A 70 0.474 -4.952 -6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.375 -3.526 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.697 -2.888 -6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.295 -1.887 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.565 -1.292 -5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.589 -3.121 -3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.414 -2.030 -4.785 1.00 0.00 H new ATOM 1051 N SER A 71 1.667 -6.437 -5.375 1.00 0.00 N ATOM 1052 CA SER A 71 2.173 -7.388 -4.441 1.00 0.00 C ATOM 1053 C SER A 71 3.459 -6.847 -3.795 1.00 0.00 C ATOM 1054 O SER A 71 3.971 -5.786 -4.215 1.00 0.00 O ATOM 1055 CB SER A 71 2.353 -8.734 -5.121 1.00 0.00 C ATOM 1056 OG SER A 71 1.096 -9.167 -5.633 1.00 0.00 O ATOM 0 H SER A 71 1.968 -6.574 -6.340 1.00 0.00 H new ATOM 0 HA SER A 71 1.461 -7.545 -3.631 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.081 -8.653 -5.928 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.743 -9.465 -4.412 1.00 0.00 H new ATOM 0 HG SER A 71 1.204 -10.035 -6.075 1.00 0.00 H new ATOM 1062 N ALA A 72 3.966 -7.559 -2.797 1.00 0.00 N ATOM 1063 CA ALA A 72 5.113 -7.134 -1.996 1.00 0.00 C ATOM 1064 C ALA A 72 6.298 -6.705 -2.837 1.00 0.00 C ATOM 1065 O ALA A 72 6.850 -5.641 -2.629 1.00 0.00 O ATOM 1066 CB ALA A 72 5.522 -8.248 -1.064 1.00 0.00 C ATOM 0 H ALA A 72 3.588 -8.463 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 72 4.798 -6.259 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.377 -7.929 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.691 -8.493 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.794 -9.128 -1.646 1.00 0.00 H new ATOM 1072 N ASP A 73 6.635 -7.489 -3.824 1.00 0.00 N ATOM 1073 CA ASP A 73 7.825 -7.223 -4.633 1.00 0.00 C ATOM 1074 C ASP A 73 7.683 -6.005 -5.518 1.00 0.00 C ATOM 1075 O ASP A 73 8.678 -5.409 -5.932 1.00 0.00 O ATOM 1076 CB ASP A 73 8.279 -8.456 -5.416 1.00 0.00 C ATOM 1077 CG ASP A 73 8.717 -9.589 -4.505 1.00 0.00 C ATOM 1078 OD1 ASP A 73 9.880 -9.578 -4.013 1.00 0.00 O ATOM 1079 OD2 ASP A 73 7.905 -10.512 -4.248 1.00 0.00 O ATOM 0 H ASP A 73 6.112 -8.321 -4.099 1.00 0.00 H new ATOM 0 HA ASP A 73 8.619 -6.986 -3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.464 -8.799 -6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.104 -8.182 -6.074 1.00 0.00 H new ATOM 1084 N GLU A 74 6.466 -5.596 -5.765 1.00 0.00 N ATOM 1085 CA GLU A 74 6.231 -4.437 -6.594 1.00 0.00 C ATOM 1086 C GLU A 74 6.376 -3.181 -5.773 1.00 0.00 C ATOM 1087 O GLU A 74 6.943 -2.184 -6.232 1.00 0.00 O ATOM 1088 CB GLU A 74 4.853 -4.504 -7.236 1.00 0.00 C ATOM 1089 CG GLU A 74 4.635 -5.755 -8.055 1.00 0.00 C ATOM 1090 CD GLU A 74 5.704 -5.941 -9.089 1.00 0.00 C ATOM 1091 OE1 GLU A 74 5.611 -5.331 -10.170 1.00 0.00 O ATOM 1092 OE2 GLU A 74 6.664 -6.686 -8.842 1.00 0.00 O ATOM 0 H GLU A 74 5.623 -6.045 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 74 6.972 -4.422 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.094 -4.452 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.714 -3.631 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.614 -6.622 -7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.662 -5.704 -8.544 1.00 0.00 H new ATOM 1099 N VAL A 75 5.891 -3.235 -4.552 1.00 0.00 N ATOM 1100 CA VAL A 75 5.985 -2.101 -3.666 1.00 0.00 C ATOM 1101 C VAL A 75 7.386 -1.952 -3.072 1.00 0.00 C ATOM 1102 O VAL A 75 7.838 -0.828 -2.823 1.00 0.00 O ATOM 1103 CB VAL A 75 4.902 -2.097 -2.561 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.546 -1.860 -3.166 1.00 0.00 C ATOM 1105 CG2 VAL A 75 4.861 -3.401 -1.811 1.00 0.00 C ATOM 0 H VAL A 75 5.429 -4.052 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 75 5.792 -1.227 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 75 5.159 -1.297 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.792 -1.859 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.539 -0.897 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.323 -2.652 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.087 -3.356 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.638 -4.212 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.828 -3.581 -1.341 1.00 0.00 H new ATOM 1115 N LYS A 76 8.080 -3.090 -2.883 1.00 0.00 N ATOM 1116 CA LYS A 76 9.470 -3.109 -2.395 1.00 0.00 C ATOM 1117 C LYS A 76 10.356 -2.244 -3.262 1.00 0.00 C ATOM 1118 O LYS A 76 11.174 -1.492 -2.748 1.00 0.00 O ATOM 1119 CB LYS A 76 10.020 -4.549 -2.348 1.00 0.00 C ATOM 1120 CG LYS A 76 9.515 -5.371 -1.165 1.00 0.00 C ATOM 1121 CD LYS A 76 9.736 -6.884 -1.347 1.00 0.00 C ATOM 1122 CE LYS A 76 11.190 -7.273 -1.539 1.00 0.00 C ATOM 1123 NZ LYS A 76 11.324 -8.721 -1.848 1.00 0.00 N ATOM 0 H LYS A 76 7.695 -4.017 -3.063 1.00 0.00 H new ATOM 0 HA LYS A 76 9.471 -2.705 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.751 -5.060 -3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.109 -4.510 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.022 -5.042 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.451 -5.179 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.342 -7.406 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.162 -7.224 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.623 -6.684 -2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.754 -7.038 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.311 -9.016 -1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.706 -9.269 -1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.048 -8.892 -2.836 1.00 0.00 H new ATOM 1137 N ALA A 77 10.122 -2.314 -4.569 1.00 0.00 N ATOM 1138 CA ALA A 77 10.875 -1.568 -5.567 1.00 0.00 C ATOM 1139 C ALA A 77 10.846 -0.061 -5.299 1.00 0.00 C ATOM 1140 O ALA A 77 11.844 0.618 -5.474 1.00 0.00 O ATOM 1141 CB ALA A 77 10.348 -1.880 -6.959 1.00 0.00 C ATOM 0 H ALA A 77 9.391 -2.902 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 77 11.917 -1.883 -5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.918 -1.317 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.452 -2.947 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.296 -1.600 -7.021 1.00 0.00 H new ATOM 1147 N LYS A 78 9.706 0.452 -4.861 1.00 0.00 N ATOM 1148 CA LYS A 78 9.609 1.862 -4.532 1.00 0.00 C ATOM 1149 C LYS A 78 10.092 2.123 -3.123 1.00 0.00 C ATOM 1150 O LYS A 78 10.900 3.011 -2.888 1.00 0.00 O ATOM 1151 CB LYS A 78 8.188 2.398 -4.683 1.00 0.00 C ATOM 1152 CG LYS A 78 7.731 2.562 -6.119 1.00 0.00 C ATOM 1153 CD LYS A 78 6.328 3.137 -6.188 1.00 0.00 C ATOM 1154 CE LYS A 78 6.209 4.550 -5.583 1.00 0.00 C ATOM 1155 NZ LYS A 78 6.991 5.572 -6.316 1.00 0.00 N ATOM 0 H LYS A 78 8.846 -0.081 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 78 10.248 2.387 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.502 1.724 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.121 3.363 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.421 3.217 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.756 1.596 -6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.008 3.169 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.644 2.468 -5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.160 4.845 -5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.543 4.522 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.678 6.521 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.001 5.460 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.844 5.454 -7.339 1.00 0.00 H new ATOM 1169 N LEU A 79 9.620 1.307 -2.196 1.00 0.00 N ATOM 1170 CA LEU A 79 9.881 1.479 -0.770 1.00 0.00 C ATOM 1171 C LEU A 79 11.375 1.485 -0.437 1.00 0.00 C ATOM 1172 O LEU A 79 11.831 2.290 0.389 1.00 0.00 O ATOM 1173 CB LEU A 79 9.169 0.392 0.034 1.00 0.00 C ATOM 1174 CG LEU A 79 9.359 0.459 1.545 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.758 1.726 2.121 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.787 -0.771 2.217 1.00 0.00 C ATOM 0 H LEU A 79 9.038 0.497 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 79 9.488 2.457 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.102 0.445 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.517 -0.580 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 79 10.430 0.484 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.910 1.743 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.241 2.594 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.690 1.753 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.935 -0.699 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.721 -0.841 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.293 -1.660 1.840 1.00 0.00 H new ATOM 1188 N VAL A 80 12.131 0.619 -1.094 1.00 0.00 N ATOM 1189 CA VAL A 80 13.566 0.502 -0.854 1.00 0.00 C ATOM 1190 C VAL A 80 14.283 1.826 -1.223 1.00 0.00 C ATOM 1191 O VAL A 80 15.249 2.229 -0.582 1.00 0.00 O ATOM 1192 CB VAL A 80 14.171 -0.728 -1.631 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.146 -0.546 -3.142 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.565 -1.073 -1.155 1.00 0.00 C ATOM 0 H VAL A 80 11.773 -0.020 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 80 13.728 0.320 0.208 1.00 0.00 H new ATOM 0 HB VAL A 80 13.518 -1.570 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.576 -1.426 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.116 -0.417 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.728 0.335 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.941 -1.927 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.224 -0.218 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.536 -1.323 -0.095 1.00 0.00 H new ATOM 1204 N LYS A 81 13.730 2.515 -2.204 1.00 0.00 N ATOM 1205 CA LYS A 81 14.264 3.765 -2.701 1.00 0.00 C ATOM 1206 C LYS A 81 13.842 4.914 -1.799 1.00 0.00 C ATOM 1207 O LYS A 81 14.645 5.777 -1.465 1.00 0.00 O ATOM 1208 CB LYS A 81 13.744 4.005 -4.111 1.00 0.00 C ATOM 1209 CG LYS A 81 14.031 2.878 -5.098 1.00 0.00 C ATOM 1210 CD LYS A 81 15.376 2.994 -5.816 1.00 0.00 C ATOM 1211 CE LYS A 81 16.604 3.013 -4.916 1.00 0.00 C ATOM 1212 NZ LYS A 81 17.840 3.064 -5.725 1.00 0.00 N ATOM 0 H LYS A 81 12.882 2.214 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 81 15.353 3.710 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.666 4.163 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.184 4.926 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.998 1.928 -4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.236 2.853 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.470 2.159 -6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.371 3.906 -6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.562 3.876 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.613 2.125 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.642 2.725 -5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.731 2.459 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 18.018 4.044 -6.025 1.00 0.00 H new ATOM 1226 N ILE A 82 12.572 4.898 -1.394 1.00 0.00 N ATOM 1227 CA ILE A 82 11.989 5.938 -0.532 1.00 0.00 C ATOM 1228 C ILE A 82 12.745 6.022 0.795 1.00 0.00 C ATOM 1229 O ILE A 82 12.944 7.105 1.346 1.00 0.00 O ATOM 1230 CB ILE A 82 10.483 5.656 -0.252 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.708 5.570 -1.566 1.00 0.00 C ATOM 1232 CG2 ILE A 82 9.875 6.741 0.646 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.267 5.145 -1.398 1.00 0.00 C ATOM 0 H ILE A 82 11.913 4.164 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 82 12.076 6.888 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 82 10.410 4.701 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.735 6.543 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.210 4.864 -2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.823 6.518 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.407 6.767 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.962 7.710 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.783 5.107 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.230 4.158 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.748 5.863 -0.763 1.00 0.00 H new ATOM 1245 N ALA A 83 13.203 4.878 1.271 1.00 0.00 N ATOM 1246 CA ALA A 83 13.947 4.801 2.517 1.00 0.00 C ATOM 1247 C ALA A 83 15.321 5.483 2.408 1.00 0.00 C ATOM 1248 O ALA A 83 15.949 5.793 3.420 1.00 0.00 O ATOM 1249 CB ALA A 83 14.101 3.349 2.945 1.00 0.00 C ATOM 0 H ALA A 83 13.071 3.979 0.807 1.00 0.00 H new ATOM 0 HA ALA A 83 13.380 5.339 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.660 3.302 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.116 2.906 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.638 2.797 2.173 1.00 0.00 H new ATOM 1255 N GLY A 84 15.770 5.727 1.185 1.00 0.00 N ATOM 1256 CA GLY A 84 17.064 6.346 0.972 1.00 0.00 C ATOM 1257 C GLY A 84 18.146 5.310 0.832 1.00 0.00 C ATOM 1258 O GLY A 84 19.330 5.631 0.682 1.00 0.00 O ATOM 0 H GLY A 84 15.258 5.506 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.031 6.965 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.296 7.007 1.807 1.00 0.00 H new ATOM 1262 N LEU A 85 17.737 4.074 0.857 1.00 0.00 N ATOM 1263 CA LEU A 85 18.631 2.960 0.763 1.00 0.00 C ATOM 1264 C LEU A 85 18.819 2.606 -0.693 1.00 0.00 C ATOM 1265 O LEU A 85 18.018 3.026 -1.544 1.00 0.00 O ATOM 1266 CB LEU A 85 18.060 1.775 1.533 1.00 0.00 C ATOM 1267 CG LEU A 85 17.763 2.007 3.016 1.00 0.00 C ATOM 1268 CD1 LEU A 85 17.145 0.764 3.630 1.00 0.00 C ATOM 1269 CD2 LEU A 85 19.027 2.409 3.768 1.00 0.00 C ATOM 0 H LEU A 85 16.756 3.810 0.945 1.00 0.00 H new ATOM 0 HA LEU A 85 19.597 3.218 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.137 1.463 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.761 0.944 1.451 1.00 0.00 H new ATOM 0 HG LEU A 85 17.049 2.826 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 85 16.939 0.943 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 85 16.215 0.527 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 85 17.837 -0.073 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 85 18.789 2.568 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 85 19.770 1.617 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.426 3.330 3.343 1.00 0.00 H new ATOM 1281 N GLU A 86 19.891 1.863 -0.990 1.00 0.00 N ATOM 1282 CA GLU A 86 20.228 1.454 -2.367 1.00 0.00 C ATOM 1283 C GLU A 86 20.418 2.665 -3.287 1.00 0.00 C ATOM 1284 O GLU A 86 20.291 2.562 -4.509 1.00 0.00 O ATOM 1285 CB GLU A 86 19.157 0.516 -2.944 1.00 0.00 C ATOM 1286 CG GLU A 86 19.000 -0.782 -2.187 1.00 0.00 C ATOM 1287 CD GLU A 86 20.286 -1.546 -2.093 1.00 0.00 C ATOM 1288 OE1 GLU A 86 20.840 -1.931 -3.136 1.00 0.00 O ATOM 1289 OE2 GLU A 86 20.778 -1.770 -0.974 1.00 0.00 O ATOM 0 H GLU A 86 20.550 1.527 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 86 21.174 0.915 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.200 1.037 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.407 0.291 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.631 -0.572 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.249 -1.399 -2.680 1.00 0.00 H new ATOM 1296 N HIS A 87 20.717 3.797 -2.709 1.00 0.00 N ATOM 1297 CA HIS A 87 20.954 4.987 -3.469 1.00 0.00 C ATOM 1298 C HIS A 87 22.274 5.572 -3.024 1.00 0.00 C ATOM 1299 O HIS A 87 22.371 6.219 -1.966 1.00 0.00 O ATOM 1300 CB HIS A 87 19.806 6.000 -3.315 1.00 0.00 C ATOM 1301 CG HIS A 87 19.912 7.161 -4.264 1.00 0.00 C ATOM 1302 ND1 HIS A 87 20.439 8.384 -3.930 1.00 0.00 N ATOM 1303 CD2 HIS A 87 19.566 7.248 -5.571 1.00 0.00 C ATOM 1304 CE1 HIS A 87 20.408 9.158 -5.013 1.00 0.00 C ATOM 1305 NE2 HIS A 87 19.884 8.516 -6.042 1.00 0.00 N ATOM 0 H HIS A 87 20.802 3.917 -1.700 1.00 0.00 H new ATOM 0 HA HIS A 87 20.997 4.741 -4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.856 5.491 -3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 87 19.795 6.375 -2.292 1.00 0.00 H new ATOM 0 HD2 HIS A 87 19.115 6.458 -6.154 1.00 0.00 H new ATOM 0 HE1 HIS A 87 20.764 10.177 -5.046 1.00 0.00 H new ATOM 0 HE2 HIS A 87 19.742 8.876 -6.986 1.00 0.00 H new ATOM 1313 N HIS A 88 23.281 5.284 -3.784 1.00 0.00 N ATOM 1314 CA HIS A 88 24.622 5.684 -3.487 1.00 0.00 C ATOM 1315 C HIS A 88 25.182 6.349 -4.710 1.00 0.00 C ATOM 1316 O HIS A 88 25.335 7.580 -4.714 1.00 0.00 O ATOM 1317 CB HIS A 88 25.471 4.451 -3.100 1.00 0.00 C ATOM 1318 CG HIS A 88 24.876 3.652 -1.970 1.00 0.00 C ATOM 1319 ND1 HIS A 88 24.113 2.516 -2.153 1.00 0.00 N ATOM 1320 CD2 HIS A 88 24.895 3.874 -0.634 1.00 0.00 C ATOM 1321 CE1 HIS A 88 23.698 2.105 -0.959 1.00 0.00 C ATOM 1322 NE2 HIS A 88 24.142 2.890 0.001 1.00 0.00 N ATOM 0 H HIS A 88 23.194 4.751 -4.650 1.00 0.00 H new ATOM 0 HA HIS A 88 24.638 6.375 -2.645 1.00 0.00 H new ATOM 0 HB2 HIS A 88 25.583 3.807 -3.972 1.00 0.00 H new ATOM 0 HB3 HIS A 88 26.471 4.781 -2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 88 25.411 4.684 -0.141 1.00 0.00 H new ATOM 0 HE1 HIS A 88 23.076 1.237 -0.797 1.00 0.00 H new ATOM 0 HE2 HIS A 88 23.970 2.796 1.002 1.00 0.00 H new TER 1330 HIS A 88